USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 867 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 76 MET CE :methyl -115:sc= -0.127 (180deg=-1.95) USER MOD Set 1.2: A 83 SER OG : rot 1:sc= -0.434 USER MOD Set 2.1: A 27 HIS : no HE2:sc= -8.87! C(o=-14!,f=-23!) USER MOD Set 2.2: A 49 ASN : amide:sc= -5.63! C(o=-14!,f=-16!) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.0242 USER MOD Set 3.2: A 32 HIS : no HD1:sc= 0 X(o=0.024,f=0.018) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -166:sc= -3.19! USER MOD Single : A 42 THR OG1 : rot 109:sc= 0.0185 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -5.57! C(o=-5.6!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 60 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.31) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -120:sc= -2.18! USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 150:sc= -2.67! USER MOD Single : A 87 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.973 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 93 SER OG : rot 169:sc= -0.145 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 91:sc= 0.681 USER MOD Single : A 101 ASN : amide:sc= -2.66 K(o=-2.7,f=-8.6!) USER MOD Single : A 103 LYS NZ :NH3+ -129:sc= 0.0683 (180deg=-0.0966) USER MOD Single : A 111 GLN : amide:sc= -0.0789 X(o=-0.079,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0221 USER MOD Single : A 118 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.94) USER MOD Single : A 122 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.734) USER MOD Single : A 124 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.5) USER MOD Single : A 126 SER OG : rot 60:sc= 0.218 USER MOD Single : A 129 SER OG : rot 38:sc= 0.773 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -7.416 20.626 14.771 1.00 0.00 N ATOM 2 CA GLY A 18 -8.655 20.247 14.119 1.00 0.00 C ATOM 3 C GLY A 18 -8.758 18.751 13.894 1.00 0.00 C ATOM 4 O GLY A 18 -8.113 18.205 13.000 1.00 0.00 O ATOM 0 HA2 GLY A 18 -9.498 20.579 14.726 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.730 20.761 13.161 1.00 0.00 H new ATOM 8 N SER A 19 -9.572 18.087 14.709 1.00 0.00 N ATOM 9 CA SER A 19 -9.755 16.645 14.599 1.00 0.00 C ATOM 10 C SER A 19 -10.756 16.306 13.500 1.00 0.00 C ATOM 11 O SER A 19 -11.925 16.035 13.772 1.00 0.00 O ATOM 12 CB SER A 19 -10.229 16.065 15.933 1.00 0.00 C ATOM 13 OG SER A 19 -9.343 16.412 16.983 1.00 0.00 O ATOM 0 H SER A 19 -10.115 18.525 15.453 1.00 0.00 H new ATOM 0 HA SER A 19 -8.794 16.202 14.340 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.229 16.435 16.159 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.300 14.980 15.857 1.00 0.00 H new ATOM 0 HG SER A 19 -9.669 16.031 17.825 1.00 0.00 H new ATOM 19 N SER A 20 -10.288 16.323 12.256 1.00 0.00 N ATOM 20 CA SER A 20 -11.143 16.021 11.113 1.00 0.00 C ATOM 21 C SER A 20 -10.446 15.065 10.150 1.00 0.00 C ATOM 22 O SER A 20 -9.236 15.145 9.946 1.00 0.00 O ATOM 23 CB SER A 20 -11.527 17.309 10.383 1.00 0.00 C ATOM 24 OG SER A 20 -12.416 17.042 9.311 1.00 0.00 O ATOM 0 H SER A 20 -9.322 16.543 12.014 1.00 0.00 H new ATOM 0 HA SER A 20 -12.047 15.539 11.484 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.994 18.002 11.083 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.629 17.797 10.003 1.00 0.00 H new ATOM 0 HG SER A 20 -12.648 17.881 8.861 1.00 0.00 H new ATOM 30 N GLY A 21 -11.220 14.160 9.559 1.00 0.00 N ATOM 31 CA GLY A 21 -10.661 13.201 8.624 1.00 0.00 C ATOM 32 C GLY A 21 -11.729 12.388 7.919 1.00 0.00 C ATOM 33 O GLY A 21 -12.658 11.889 8.554 1.00 0.00 O ATOM 0 H GLY A 21 -12.225 14.074 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.062 13.729 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.989 12.528 9.157 1.00 0.00 H new ATOM 37 N SER A 22 -11.596 12.255 6.604 1.00 0.00 N ATOM 38 CA SER A 22 -12.560 11.502 5.810 1.00 0.00 C ATOM 39 C SER A 22 -11.859 10.442 4.967 1.00 0.00 C ATOM 40 O SER A 22 -10.694 10.595 4.601 1.00 0.00 O ATOM 41 CB SER A 22 -13.357 12.445 4.907 1.00 0.00 C ATOM 42 OG SER A 22 -12.495 13.278 4.152 1.00 0.00 O ATOM 0 H SER A 22 -10.830 12.659 6.065 1.00 0.00 H new ATOM 0 HA SER A 22 -13.245 11.002 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.987 11.863 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.022 13.059 5.514 1.00 0.00 H new ATOM 0 HG SER A 22 -13.029 13.870 3.582 1.00 0.00 H new ATOM 48 N SER A 23 -12.579 9.367 4.660 1.00 0.00 N ATOM 49 CA SER A 23 -12.026 8.279 3.862 1.00 0.00 C ATOM 50 C SER A 23 -10.679 7.827 4.418 1.00 0.00 C ATOM 51 O SER A 23 -9.712 7.659 3.676 1.00 0.00 O ATOM 52 CB SER A 23 -11.868 8.718 2.405 1.00 0.00 C ATOM 53 OG SER A 23 -13.011 9.425 1.957 1.00 0.00 O ATOM 0 H SER A 23 -13.546 9.227 4.952 1.00 0.00 H new ATOM 0 HA SER A 23 -12.718 7.438 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.985 9.349 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.707 7.844 1.774 1.00 0.00 H new ATOM 0 HG SER A 23 -12.883 9.696 1.024 1.00 0.00 H new ATOM 59 N GLY A 24 -10.624 7.632 5.733 1.00 0.00 N ATOM 60 CA GLY A 24 -9.393 7.201 6.367 1.00 0.00 C ATOM 61 C GLY A 24 -9.283 5.693 6.457 1.00 0.00 C ATOM 62 O GLY A 24 -10.169 4.971 6.000 1.00 0.00 O ATOM 0 H GLY A 24 -11.410 7.765 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.544 7.591 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.336 7.627 7.369 1.00 0.00 H new ATOM 66 N ALA A 25 -8.193 5.213 7.047 1.00 0.00 N ATOM 67 CA ALA A 25 -7.971 3.781 7.195 1.00 0.00 C ATOM 68 C ALA A 25 -9.014 3.156 8.115 1.00 0.00 C ATOM 69 O ALA A 25 -9.940 3.829 8.569 1.00 0.00 O ATOM 70 CB ALA A 25 -6.570 3.516 7.726 1.00 0.00 C ATOM 0 H ALA A 25 -7.449 5.796 7.430 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.068 3.320 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.418 2.442 7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.835 3.920 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.452 3.996 8.697 1.00 0.00 H new ATOM 76 N LYS A 26 -8.858 1.865 8.388 1.00 0.00 N ATOM 77 CA LYS A 26 -9.786 1.149 9.255 1.00 0.00 C ATOM 78 C LYS A 26 -9.331 1.213 10.710 1.00 0.00 C ATOM 79 O LYS A 26 -10.143 1.398 11.617 1.00 0.00 O ATOM 80 CB LYS A 26 -9.906 -0.312 8.812 1.00 0.00 C ATOM 81 CG LYS A 26 -10.859 -1.129 9.666 1.00 0.00 C ATOM 82 CD LYS A 26 -12.293 -1.005 9.178 1.00 0.00 C ATOM 83 CE LYS A 26 -13.287 -1.294 10.292 1.00 0.00 C ATOM 84 NZ LYS A 26 -13.617 -2.744 10.380 1.00 0.00 N ATOM 0 H LYS A 26 -8.097 1.293 8.021 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.762 1.629 9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.243 -0.342 7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.919 -0.774 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.557 -2.176 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.796 -0.796 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.461 -0.000 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.459 -1.697 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.874 -0.957 11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.200 -0.724 10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.297 -2.899 11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.034 -3.060 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.750 -3.287 10.569 1.00 0.00 H new ATOM 98 N HIS A 27 -8.028 1.060 10.926 1.00 0.00 N ATOM 99 CA HIS A 27 -7.465 1.102 12.271 1.00 0.00 C ATOM 100 C HIS A 27 -6.684 2.394 12.492 1.00 0.00 C ATOM 101 O HIS A 27 -6.520 3.198 11.573 1.00 0.00 O ATOM 102 CB HIS A 27 -6.556 -0.104 12.505 1.00 0.00 C ATOM 103 CG HIS A 27 -5.932 -0.636 11.251 1.00 0.00 C ATOM 104 ND1 HIS A 27 -4.756 -0.141 10.727 1.00 0.00 N ATOM 105 CD2 HIS A 27 -6.326 -1.626 10.417 1.00 0.00 C ATOM 106 CE1 HIS A 27 -4.454 -0.803 9.625 1.00 0.00 C ATOM 107 NE2 HIS A 27 -5.392 -1.710 9.414 1.00 0.00 N ATOM 0 H HIS A 27 -7.342 0.906 10.187 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.289 1.069 12.984 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.767 0.176 13.203 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.134 -0.898 12.979 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -4.205 0.618 11.128 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.211 -2.237 10.521 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.588 -0.632 9.002 1.00 0.00 H new ATOM 115 N THR A 28 -6.203 2.587 13.716 1.00 0.00 N ATOM 116 CA THR A 28 -5.440 3.781 14.058 1.00 0.00 C ATOM 117 C THR A 28 -3.949 3.564 13.829 1.00 0.00 C ATOM 118 O THR A 28 -3.188 4.521 13.674 1.00 0.00 O ATOM 119 CB THR A 28 -5.670 4.193 15.524 1.00 0.00 C ATOM 120 OG1 THR A 28 -5.663 3.033 16.365 1.00 0.00 O ATOM 121 CG2 THR A 28 -6.990 4.931 15.679 1.00 0.00 C ATOM 0 H THR A 28 -6.328 1.931 14.487 1.00 0.00 H new ATOM 0 HA THR A 28 -5.792 4.580 13.405 1.00 0.00 H new ATOM 0 HB THR A 28 -4.863 4.862 15.821 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.808 3.303 17.296 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.130 5.211 16.723 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.980 5.828 15.060 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.808 4.283 15.365 1.00 0.00 H new ATOM 129 N LEU A 29 -3.534 2.303 13.810 1.00 0.00 N ATOM 130 CA LEU A 29 -2.132 1.960 13.599 1.00 0.00 C ATOM 131 C LEU A 29 -1.464 2.958 12.659 1.00 0.00 C ATOM 132 O LEU A 29 -0.284 3.277 12.813 1.00 0.00 O ATOM 133 CB LEU A 29 -2.012 0.546 13.030 1.00 0.00 C ATOM 134 CG LEU A 29 -1.888 -0.582 14.055 1.00 0.00 C ATOM 135 CD1 LEU A 29 -3.264 -1.027 14.527 1.00 0.00 C ATOM 136 CD2 LEU A 29 -1.119 -1.756 13.466 1.00 0.00 C ATOM 0 H LEU A 29 -4.149 1.500 13.938 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.624 2.000 14.563 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.886 0.351 12.409 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.141 0.512 12.375 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.335 -0.206 14.916 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.156 -1.830 15.256 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.780 -0.185 14.988 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.843 -1.385 13.675 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.040 -2.549 14.209 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.645 -2.132 12.588 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.120 -1.429 13.178 1.00 0.00 H new ATOM 148 N LEU A 30 -2.224 3.449 11.687 1.00 0.00 N ATOM 149 CA LEU A 30 -1.707 4.412 10.723 1.00 0.00 C ATOM 150 C LEU A 30 -1.527 5.784 11.366 1.00 0.00 C ATOM 151 O LEU A 30 -0.465 6.397 11.260 1.00 0.00 O ATOM 152 CB LEU A 30 -2.648 4.519 9.522 1.00 0.00 C ATOM 153 CG LEU A 30 -2.648 3.329 8.562 1.00 0.00 C ATOM 154 CD1 LEU A 30 -1.335 3.258 7.799 1.00 0.00 C ATOM 155 CD2 LEU A 30 -2.898 2.032 9.319 1.00 0.00 C ATOM 0 H LEU A 30 -3.202 3.195 11.546 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.733 4.060 10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.663 4.661 9.893 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.386 5.415 8.959 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.455 3.468 7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.354 2.405 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.198 4.175 7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.511 3.144 8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.895 1.196 8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.113 1.887 10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.865 2.083 9.819 1.00 0.00 H new ATOM 167 N ARG A 31 -2.573 6.259 12.035 1.00 0.00 N ATOM 168 CA ARG A 31 -2.532 7.557 12.696 1.00 0.00 C ATOM 169 C ARG A 31 -1.288 7.682 13.572 1.00 0.00 C ATOM 170 O ARG A 31 -0.573 8.683 13.514 1.00 0.00 O ATOM 171 CB ARG A 31 -3.788 7.762 13.544 1.00 0.00 C ATOM 172 CG ARG A 31 -4.205 9.218 13.672 1.00 0.00 C ATOM 173 CD ARG A 31 -5.027 9.670 12.474 1.00 0.00 C ATOM 174 NE ARG A 31 -5.266 11.110 12.485 1.00 0.00 N ATOM 175 CZ ARG A 31 -5.967 11.746 11.554 1.00 0.00 C ATOM 176 NH1 ARG A 31 -6.496 11.072 10.542 1.00 0.00 N ATOM 177 NH2 ARG A 31 -6.141 13.059 11.633 1.00 0.00 N ATOM 0 H ARG A 31 -3.459 5.764 12.133 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.493 8.327 11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.609 7.195 13.105 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.615 7.354 14.540 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.786 9.352 14.585 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.318 9.845 13.763 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.509 9.396 11.555 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.982 9.144 12.471 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.873 11.658 13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.365 10.063 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.034 11.563 9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.736 13.581 12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.680 13.546 10.917 1.00 0.00 H new ATOM 191 N HIS A 32 -1.036 6.659 14.382 1.00 0.00 N ATOM 192 CA HIS A 32 0.121 6.653 15.270 1.00 0.00 C ATOM 193 C HIS A 32 1.411 6.859 14.482 1.00 0.00 C ATOM 194 O HIS A 32 2.042 7.913 14.570 1.00 0.00 O ATOM 195 CB HIS A 32 0.189 5.338 16.046 1.00 0.00 C ATOM 196 CG HIS A 32 -0.981 5.118 16.955 1.00 0.00 C ATOM 197 ND1 HIS A 32 -1.677 3.928 17.012 1.00 0.00 N ATOM 198 CD2 HIS A 32 -1.577 5.943 17.847 1.00 0.00 C ATOM 199 CE1 HIS A 32 -2.651 4.033 17.899 1.00 0.00 C ATOM 200 NE2 HIS A 32 -2.611 5.246 18.420 1.00 0.00 N ATOM 0 H HIS A 32 -1.618 5.823 14.442 1.00 0.00 H new ATOM 0 HA HIS A 32 0.010 7.477 15.975 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.250 4.511 15.339 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.105 5.321 16.636 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.292 6.961 18.067 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.359 3.259 18.154 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.246 5.606 19.133 1.00 0.00 H new ATOM 208 N GLU A 33 1.798 5.846 13.712 1.00 0.00 N ATOM 209 CA GLU A 33 3.014 5.917 12.911 1.00 0.00 C ATOM 210 C GLU A 33 3.219 7.324 12.357 1.00 0.00 C ATOM 211 O GLU A 33 4.344 7.819 12.292 1.00 0.00 O ATOM 212 CB GLU A 33 2.952 4.909 11.761 1.00 0.00 C ATOM 213 CG GLU A 33 2.989 3.461 12.219 1.00 0.00 C ATOM 214 CD GLU A 33 4.378 3.012 12.628 1.00 0.00 C ATOM 215 OE1 GLU A 33 5.360 3.651 12.195 1.00 0.00 O ATOM 216 OE2 GLU A 33 4.483 2.022 13.382 1.00 0.00 O ATOM 0 H GLU A 33 1.287 4.967 13.626 1.00 0.00 H new ATOM 0 HA GLU A 33 3.858 5.672 13.555 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.039 5.078 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.788 5.089 11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.308 3.333 13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.627 2.821 11.415 1.00 0.00 H new ATOM 223 N GLY A 34 2.123 7.963 11.960 1.00 0.00 N ATOM 224 CA GLY A 34 2.204 9.306 11.416 1.00 0.00 C ATOM 225 C GLY A 34 2.173 9.322 9.901 1.00 0.00 C ATOM 226 O GLY A 34 2.825 10.154 9.269 1.00 0.00 O ATOM 0 H GLY A 34 1.181 7.575 12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.375 9.900 11.799 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.122 9.780 11.762 1.00 0.00 H new ATOM 230 N ILE A 35 1.417 8.399 9.317 1.00 0.00 N ATOM 231 CA ILE A 35 1.305 8.310 7.866 1.00 0.00 C ATOM 232 C ILE A 35 0.156 9.168 7.350 1.00 0.00 C ATOM 233 O ILE A 35 -1.006 8.930 7.681 1.00 0.00 O ATOM 234 CB ILE A 35 1.093 6.855 7.406 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.393 6.059 7.543 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.593 6.821 5.969 1.00 0.00 C ATOM 237 CD1 ILE A 35 2.213 4.571 7.341 1.00 0.00 C ATOM 0 H ILE A 35 0.873 7.702 9.826 1.00 0.00 H new ATOM 0 HA ILE A 35 2.244 8.679 7.453 1.00 0.00 H new ATOM 0 HB ILE A 35 0.338 6.394 8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.116 6.431 6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.815 6.235 8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.448 5.786 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.354 7.356 5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.326 7.296 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.174 4.070 7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.514 4.185 8.083 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.820 4.384 6.342 1.00 0.00 H new ATOM 249 N GLU A 36 0.487 10.164 6.534 1.00 0.00 N ATOM 250 CA GLU A 36 -0.519 11.057 5.971 1.00 0.00 C ATOM 251 C GLU A 36 -0.953 10.582 4.587 1.00 0.00 C ATOM 252 O GLU A 36 -0.121 10.333 3.714 1.00 0.00 O ATOM 253 CB GLU A 36 0.025 12.485 5.885 1.00 0.00 C ATOM 254 CG GLU A 36 0.370 13.087 7.237 1.00 0.00 C ATOM 255 CD GLU A 36 1.605 12.462 7.857 1.00 0.00 C ATOM 256 OE1 GLU A 36 2.488 12.017 7.095 1.00 0.00 O ATOM 257 OE2 GLU A 36 1.687 12.417 9.101 1.00 0.00 O ATOM 0 H GLU A 36 1.444 10.373 6.248 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.388 11.046 6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.916 12.488 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.714 13.117 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.529 14.159 7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.475 12.960 7.913 1.00 0.00 H new ATOM 264 N THR A 37 -2.262 10.460 4.394 1.00 0.00 N ATOM 265 CA THR A 37 -2.809 10.013 3.118 1.00 0.00 C ATOM 266 C THR A 37 -3.861 10.987 2.600 1.00 0.00 C ATOM 267 O THR A 37 -4.690 11.485 3.362 1.00 0.00 O ATOM 268 CB THR A 37 -3.437 8.612 3.235 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.669 8.687 3.962 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.487 7.650 3.934 1.00 0.00 C ATOM 0 H THR A 37 -2.964 10.664 5.105 1.00 0.00 H new ATOM 0 HA THR A 37 -1.977 9.972 2.415 1.00 0.00 H new ATOM 0 HB THR A 37 -3.631 8.239 2.229 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.063 7.792 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.952 6.667 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.562 7.573 3.363 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.266 8.020 4.935 1.00 0.00 H new ATOM 278 N VAL A 38 -3.821 11.257 1.299 1.00 0.00 N ATOM 279 CA VAL A 38 -4.773 12.171 0.678 1.00 0.00 C ATOM 280 C VAL A 38 -6.082 11.462 0.351 1.00 0.00 C ATOM 281 O VAL A 38 -6.231 10.266 0.598 1.00 0.00 O ATOM 282 CB VAL A 38 -4.199 12.788 -0.611 1.00 0.00 C ATOM 283 CG1 VAL A 38 -3.042 13.721 -0.288 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.761 11.695 -1.574 1.00 0.00 C ATOM 0 H VAL A 38 -3.140 10.856 0.655 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.965 12.966 1.398 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.982 13.374 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.650 14.147 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.392 14.523 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.254 13.162 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.358 12.148 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.993 11.081 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.617 11.071 -1.831 1.00 0.00 H new ATOM 294 N SER A 39 -7.029 12.209 -0.208 1.00 0.00 N ATOM 295 CA SER A 39 -8.328 11.652 -0.567 1.00 0.00 C ATOM 296 C SER A 39 -8.393 11.343 -2.060 1.00 0.00 C ATOM 297 O SER A 39 -8.976 10.340 -2.473 1.00 0.00 O ATOM 298 CB SER A 39 -9.446 12.625 -0.188 1.00 0.00 C ATOM 299 OG SER A 39 -10.678 11.946 -0.017 1.00 0.00 O ATOM 0 H SER A 39 -6.921 13.200 -0.422 1.00 0.00 H new ATOM 0 HA SER A 39 -8.462 10.722 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.183 13.145 0.733 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.550 13.384 -0.964 1.00 0.00 H new ATOM 0 HG SER A 39 -11.375 12.590 0.226 1.00 0.00 H new ATOM 305 N TYR A 40 -7.791 12.211 -2.864 1.00 0.00 N ATOM 306 CA TYR A 40 -7.781 12.034 -4.312 1.00 0.00 C ATOM 307 C TYR A 40 -6.937 10.825 -4.706 1.00 0.00 C ATOM 308 O TYR A 40 -6.400 10.123 -3.851 1.00 0.00 O ATOM 309 CB TYR A 40 -7.244 13.291 -4.996 1.00 0.00 C ATOM 310 CG TYR A 40 -5.994 13.845 -4.352 1.00 0.00 C ATOM 311 CD1 TYR A 40 -4.737 13.368 -4.704 1.00 0.00 C ATOM 312 CD2 TYR A 40 -6.069 14.846 -3.391 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.592 13.871 -4.117 1.00 0.00 C ATOM 314 CE2 TYR A 40 -4.929 15.356 -2.800 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.694 14.864 -3.166 1.00 0.00 C ATOM 316 OH TYR A 40 -2.555 15.369 -2.580 1.00 0.00 O ATOM 0 H TYR A 40 -7.303 13.045 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.806 11.861 -4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.034 13.064 -6.041 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.018 14.058 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.654 12.591 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.035 15.232 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.623 13.489 -4.401 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.005 16.135 -2.056 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.799 15.890 -1.787 1.00 0.00 H new ATOM 326 N ALA A 41 -6.827 10.591 -6.010 1.00 0.00 N ATOM 327 CA ALA A 41 -6.048 9.470 -6.520 1.00 0.00 C ATOM 328 C ALA A 41 -4.589 9.866 -6.730 1.00 0.00 C ATOM 329 O ALA A 41 -4.295 10.952 -7.232 1.00 0.00 O ATOM 330 CB ALA A 41 -6.649 8.957 -7.819 1.00 0.00 C ATOM 0 H ALA A 41 -7.267 11.162 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.078 8.672 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.057 8.120 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.672 8.627 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.649 9.756 -8.560 1.00 0.00 H new ATOM 336 N THR A 42 -3.678 8.979 -6.344 1.00 0.00 N ATOM 337 CA THR A 42 -2.251 9.236 -6.489 1.00 0.00 C ATOM 338 C THR A 42 -1.507 7.980 -6.928 1.00 0.00 C ATOM 339 O THR A 42 -1.608 6.934 -6.289 1.00 0.00 O ATOM 340 CB THR A 42 -1.637 9.749 -5.173 1.00 0.00 C ATOM 341 OG1 THR A 42 -1.703 8.728 -4.171 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.363 10.994 -4.686 1.00 0.00 C ATOM 0 H THR A 42 -3.903 8.075 -5.928 1.00 0.00 H new ATOM 0 HA THR A 42 -2.144 10.004 -7.255 1.00 0.00 H new ATOM 0 HB THR A 42 -0.594 10.006 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.803 8.382 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.912 11.338 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.285 11.779 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.413 10.759 -4.515 1.00 0.00 H new ATOM 350 N GLN A 43 -0.761 8.092 -8.023 1.00 0.00 N ATOM 351 CA GLN A 43 0.000 6.964 -8.546 1.00 0.00 C ATOM 352 C GLN A 43 0.575 6.122 -7.413 1.00 0.00 C ATOM 353 O GLN A 43 0.639 4.896 -7.507 1.00 0.00 O ATOM 354 CB GLN A 43 1.127 7.459 -9.453 1.00 0.00 C ATOM 355 CG GLN A 43 0.676 7.773 -10.870 1.00 0.00 C ATOM 356 CD GLN A 43 1.704 8.571 -11.647 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.084 9.672 -11.246 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.160 8.020 -12.766 1.00 0.00 N ATOM 0 H GLN A 43 -0.668 8.952 -8.564 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.678 6.340 -9.128 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.568 8.354 -9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.911 6.703 -9.490 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.471 6.841 -11.397 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.260 8.331 -10.834 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.817 7.106 -13.061 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.853 8.511 -13.331 1.00 0.00 H new ATOM 367 N SER A 44 0.993 6.788 -6.341 1.00 0.00 N ATOM 368 CA SER A 44 1.568 6.101 -5.189 1.00 0.00 C ATOM 369 C SER A 44 0.474 5.640 -4.230 1.00 0.00 C ATOM 370 O SER A 44 -0.586 6.259 -4.137 1.00 0.00 O ATOM 371 CB SER A 44 2.550 7.019 -4.459 1.00 0.00 C ATOM 372 OG SER A 44 3.443 7.638 -5.369 1.00 0.00 O ATOM 0 H SER A 44 0.944 7.802 -6.246 1.00 0.00 H new ATOM 0 HA SER A 44 2.104 5.223 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.999 7.782 -3.909 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.114 6.443 -3.726 1.00 0.00 H new ATOM 0 HG SER A 44 4.059 8.221 -4.878 1.00 0.00 H new ATOM 378 N LEU A 45 0.741 4.550 -3.520 1.00 0.00 N ATOM 379 CA LEU A 45 -0.219 4.005 -2.566 1.00 0.00 C ATOM 380 C LEU A 45 0.489 3.461 -1.330 1.00 0.00 C ATOM 381 O LEU A 45 1.698 3.228 -1.347 1.00 0.00 O ATOM 382 CB LEU A 45 -1.047 2.898 -3.222 1.00 0.00 C ATOM 383 CG LEU A 45 -1.975 3.336 -4.356 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.356 2.146 -5.223 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.219 4.009 -3.796 1.00 0.00 C ATOM 0 H LEU A 45 1.614 4.026 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.883 4.812 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.364 2.142 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.650 2.417 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.444 4.057 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.017 2.477 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.456 1.706 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.869 1.402 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.868 4.314 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.752 3.310 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.929 4.886 -3.217 1.00 0.00 H new ATOM 397 N VAL A 46 -0.272 3.260 -0.259 1.00 0.00 N ATOM 398 CA VAL A 46 0.283 2.741 0.986 1.00 0.00 C ATOM 399 C VAL A 46 -0.478 1.505 1.454 1.00 0.00 C ATOM 400 O VAL A 46 -1.680 1.565 1.713 1.00 0.00 O ATOM 401 CB VAL A 46 0.250 3.803 2.101 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.182 4.097 2.517 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.079 3.347 3.294 1.00 0.00 C ATOM 0 H VAL A 46 -1.274 3.448 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 46 1.319 2.471 0.782 1.00 0.00 H new ATOM 0 HB VAL A 46 0.686 4.724 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.185 4.850 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.741 4.469 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.649 3.184 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.045 4.109 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.674 2.412 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.112 3.193 2.982 1.00 0.00 H new ATOM 413 N VAL A 47 0.230 0.385 1.558 1.00 0.00 N ATOM 414 CA VAL A 47 -0.379 -0.866 1.996 1.00 0.00 C ATOM 415 C VAL A 47 -0.425 -0.951 3.518 1.00 0.00 C ATOM 416 O VAL A 47 0.611 -1.020 4.178 1.00 0.00 O ATOM 417 CB VAL A 47 0.386 -2.084 1.448 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.492 -3.325 1.479 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.886 -1.809 0.037 1.00 0.00 C ATOM 0 H VAL A 47 1.225 0.318 1.345 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.396 -0.878 1.603 1.00 0.00 H new ATOM 0 HB VAL A 47 1.251 -2.265 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.066 -4.176 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.795 -3.531 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.378 -3.159 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.425 -2.681 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.038 -1.601 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.554 -0.948 0.049 1.00 0.00 H new ATOM 429 N ALA A 48 -1.635 -0.946 4.068 1.00 0.00 N ATOM 430 CA ALA A 48 -1.817 -1.025 5.513 1.00 0.00 C ATOM 431 C ALA A 48 -1.945 -2.474 5.971 1.00 0.00 C ATOM 432 O ALA A 48 -2.328 -3.349 5.196 1.00 0.00 O ATOM 433 CB ALA A 48 -3.042 -0.228 5.934 1.00 0.00 C ATOM 0 H ALA A 48 -2.503 -0.888 3.536 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.936 -0.596 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.166 -0.295 7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.913 0.816 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.926 -0.632 5.441 1.00 0.00 H new ATOM 439 N ASN A 49 -1.619 -2.720 7.235 1.00 0.00 N ATOM 440 CA ASN A 49 -1.695 -4.064 7.797 1.00 0.00 C ATOM 441 C ASN A 49 -0.839 -5.039 6.995 1.00 0.00 C ATOM 442 O ASN A 49 -1.107 -6.238 6.963 1.00 0.00 O ATOM 443 CB ASN A 49 -3.147 -4.547 7.822 1.00 0.00 C ATOM 444 CG ASN A 49 -3.925 -3.979 8.993 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.364 -3.303 9.856 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.225 -4.250 9.028 1.00 0.00 N ATOM 0 H ASN A 49 -1.300 -2.006 7.890 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.313 -4.026 8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.638 -4.263 6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.164 -5.636 7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.800 -3.894 9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.648 -4.814 8.291 1.00 0.00 H new ATOM 453 N GLY A 50 0.197 -4.512 6.347 1.00 0.00 N ATOM 454 CA GLY A 50 1.079 -5.349 5.555 1.00 0.00 C ATOM 455 C GLY A 50 2.539 -5.162 5.919 1.00 0.00 C ATOM 456 O GLY A 50 2.914 -5.277 7.085 1.00 0.00 O ATOM 0 H GLY A 50 0.440 -3.521 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.804 -6.395 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.939 -5.121 4.498 1.00 0.00 H new ATOM 460 N GLY A 51 3.364 -4.872 4.919 1.00 0.00 N ATOM 461 CA GLY A 51 4.782 -4.675 5.160 1.00 0.00 C ATOM 462 C GLY A 51 5.460 -5.924 5.688 1.00 0.00 C ATOM 463 O GLY A 51 4.811 -6.790 6.276 1.00 0.00 O ATOM 0 H GLY A 51 3.077 -4.770 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.266 -4.367 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.916 -3.863 5.874 1.00 0.00 H new ATOM 467 N LEU A 52 6.767 -6.019 5.478 1.00 0.00 N ATOM 468 CA LEU A 52 7.534 -7.173 5.936 1.00 0.00 C ATOM 469 C LEU A 52 7.141 -7.558 7.358 1.00 0.00 C ATOM 470 O LEU A 52 6.848 -8.720 7.638 1.00 0.00 O ATOM 471 CB LEU A 52 9.032 -6.871 5.873 1.00 0.00 C ATOM 472 CG LEU A 52 9.582 -6.481 4.500 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.907 -5.750 4.644 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.742 -7.711 3.620 1.00 0.00 C ATOM 0 H LEU A 52 7.319 -5.311 4.993 1.00 0.00 H new ATOM 0 HA LEU A 52 7.310 -8.012 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.249 -6.063 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.574 -7.749 6.223 1.00 0.00 H new ATOM 0 HG LEU A 52 8.870 -5.808 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.283 -5.480 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.762 -4.846 5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.628 -6.398 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.134 -7.414 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.433 -8.409 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.773 -8.193 3.489 1.00 0.00 H new ATOM 486 N GLY A 53 7.133 -6.574 8.252 1.00 0.00 N ATOM 487 CA GLY A 53 6.771 -6.830 9.633 1.00 0.00 C ATOM 488 C GLY A 53 5.588 -7.769 9.759 1.00 0.00 C ATOM 489 O GLY A 53 5.520 -8.572 10.688 1.00 0.00 O ATOM 0 H GLY A 53 7.371 -5.604 8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.627 -7.257 10.156 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.535 -5.886 10.124 1.00 0.00 H new ATOM 493 N ASN A 54 4.651 -7.667 8.821 1.00 0.00 N ATOM 494 CA ASN A 54 3.464 -8.513 8.832 1.00 0.00 C ATOM 495 C ASN A 54 3.712 -9.810 8.070 1.00 0.00 C ATOM 496 O ASN A 54 2.807 -10.358 7.444 1.00 0.00 O ATOM 497 CB ASN A 54 2.276 -7.767 8.219 1.00 0.00 C ATOM 498 CG ASN A 54 1.872 -6.553 9.033 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.723 -5.840 9.566 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.571 -6.313 9.131 1.00 0.00 N ATOM 0 H ASN A 54 4.691 -7.007 8.044 1.00 0.00 H new ATOM 0 HA ASN A 54 3.235 -8.761 9.868 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.531 -7.454 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.427 -8.446 8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.239 -5.510 9.665 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.098 -6.932 8.672 1.00 0.00 H new ATOM 507 N GLY A 55 4.948 -10.297 8.128 1.00 0.00 N ATOM 508 CA GLY A 55 5.295 -11.527 7.440 1.00 0.00 C ATOM 509 C GLY A 55 4.878 -11.513 5.983 1.00 0.00 C ATOM 510 O GLY A 55 4.516 -12.548 5.423 1.00 0.00 O ATOM 0 H GLY A 55 5.715 -9.861 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.372 -11.685 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.818 -12.368 7.943 1.00 0.00 H new ATOM 514 N VAL A 56 4.925 -10.336 5.366 1.00 0.00 N ATOM 515 CA VAL A 56 4.548 -10.192 3.965 1.00 0.00 C ATOM 516 C VAL A 56 5.760 -9.856 3.102 1.00 0.00 C ATOM 517 O VAL A 56 6.252 -8.728 3.118 1.00 0.00 O ATOM 518 CB VAL A 56 3.481 -9.095 3.781 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.204 -8.863 2.304 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.204 -9.467 4.520 1.00 0.00 C ATOM 0 H VAL A 56 5.220 -9.469 5.815 1.00 0.00 H new ATOM 0 HA VAL A 56 4.133 -11.149 3.648 1.00 0.00 H new ATOM 0 HB VAL A 56 3.862 -8.166 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.448 -8.085 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.122 -8.550 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.843 -9.787 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.461 -8.682 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.817 -10.407 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.418 -9.579 5.583 1.00 0.00 H new ATOM 530 N SER A 57 6.234 -10.843 2.349 1.00 0.00 N ATOM 531 CA SER A 57 7.391 -10.654 1.481 1.00 0.00 C ATOM 532 C SER A 57 7.001 -9.896 0.215 1.00 0.00 C ATOM 533 O SER A 57 5.821 -9.782 -0.114 1.00 0.00 O ATOM 534 CB SER A 57 8.004 -12.005 1.112 1.00 0.00 C ATOM 535 OG SER A 57 8.358 -12.739 2.272 1.00 0.00 O ATOM 0 H SER A 57 5.835 -11.781 2.322 1.00 0.00 H new ATOM 0 HA SER A 57 8.130 -10.065 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.294 -12.580 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.887 -11.850 0.492 1.00 0.00 H new ATOM 0 HG SER A 57 8.746 -13.600 2.009 1.00 0.00 H new ATOM 541 N ARG A 58 8.003 -9.381 -0.490 1.00 0.00 N ATOM 542 CA ARG A 58 7.767 -8.633 -1.719 1.00 0.00 C ATOM 543 C ARG A 58 7.162 -9.530 -2.794 1.00 0.00 C ATOM 544 O ARG A 58 6.255 -9.123 -3.519 1.00 0.00 O ATOM 545 CB ARG A 58 9.073 -8.020 -2.227 1.00 0.00 C ATOM 546 CG ARG A 58 9.034 -7.634 -3.697 1.00 0.00 C ATOM 547 CD ARG A 58 10.284 -6.871 -4.106 1.00 0.00 C ATOM 548 NE ARG A 58 11.346 -7.766 -4.558 1.00 0.00 N ATOM 549 CZ ARG A 58 12.586 -7.363 -4.817 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.916 -6.087 -4.669 1.00 0.00 N ATOM 551 NH2 ARG A 58 13.497 -8.237 -5.225 1.00 0.00 N ATOM 0 H ARG A 58 8.986 -9.468 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 58 7.060 -7.833 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.304 -7.135 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.884 -8.731 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.938 -8.532 -4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.153 -7.022 -3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.037 -6.170 -4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.641 -6.281 -3.262 1.00 0.00 H new ATOM 0 HE ARG A 58 11.124 -8.754 -4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.218 -5.413 -4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.868 -5.780 -4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.246 -9.219 -5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.448 -7.927 -5.424 1.00 0.00 H new ATOM 565 N ASN A 59 7.671 -10.755 -2.891 1.00 0.00 N ATOM 566 CA ASN A 59 7.180 -11.710 -3.878 1.00 0.00 C ATOM 567 C ASN A 59 5.811 -12.250 -3.479 1.00 0.00 C ATOM 568 O ASN A 59 5.204 -13.029 -4.213 1.00 0.00 O ATOM 569 CB ASN A 59 8.172 -12.865 -4.035 1.00 0.00 C ATOM 570 CG ASN A 59 9.376 -12.485 -4.872 1.00 0.00 C ATOM 571 OD1 ASN A 59 9.852 -11.350 -4.817 1.00 0.00 O ATOM 572 ND2 ASN A 59 9.877 -13.433 -5.655 1.00 0.00 N ATOM 0 H ASN A 59 8.422 -11.109 -2.299 1.00 0.00 H new ATOM 0 HA ASN A 59 7.081 -11.192 -4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.506 -13.189 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.667 -13.714 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.687 -13.234 -6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.452 -14.360 -5.670 1.00 0.00 H new ATOM 579 N GLN A 60 5.332 -11.830 -2.313 1.00 0.00 N ATOM 580 CA GLN A 60 4.034 -12.272 -1.817 1.00 0.00 C ATOM 581 C GLN A 60 3.011 -11.144 -1.891 1.00 0.00 C ATOM 582 O GLN A 60 1.803 -11.385 -1.872 1.00 0.00 O ATOM 583 CB GLN A 60 4.158 -12.771 -0.376 1.00 0.00 C ATOM 584 CG GLN A 60 2.818 -12.999 0.305 1.00 0.00 C ATOM 585 CD GLN A 60 1.939 -13.977 -0.448 1.00 0.00 C ATOM 586 OE1 GLN A 60 2.408 -15.010 -0.927 1.00 0.00 O ATOM 587 NE2 GLN A 60 0.655 -13.657 -0.557 1.00 0.00 N ATOM 0 H GLN A 60 5.823 -11.185 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 60 3.691 -13.091 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.723 -13.703 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.732 -12.047 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.987 -13.372 1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.296 -12.047 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.309 -12.791 -0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.015 -14.277 -1.053 1.00 0.00 H new ATOM 596 N LEU A 61 3.500 -9.912 -1.975 1.00 0.00 N ATOM 597 CA LEU A 61 2.628 -8.745 -2.051 1.00 0.00 C ATOM 598 C LEU A 61 2.609 -8.171 -3.464 1.00 0.00 C ATOM 599 O LEU A 61 1.564 -7.744 -3.958 1.00 0.00 O ATOM 600 CB LEU A 61 3.087 -7.674 -1.060 1.00 0.00 C ATOM 601 CG LEU A 61 2.053 -6.607 -0.698 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.788 -7.251 -0.152 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.631 -5.625 0.310 1.00 0.00 C ATOM 0 H LEU A 61 4.497 -9.695 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 61 1.617 -9.061 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.405 -8.169 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.964 -7.176 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 61 1.794 -6.058 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.064 -6.476 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.362 -7.913 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.029 -7.826 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.882 -4.873 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.919 -6.160 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.507 -5.138 -0.118 1.00 0.00 H new ATOM 615 N LEU A 62 3.769 -8.165 -4.110 1.00 0.00 N ATOM 616 CA LEU A 62 3.886 -7.645 -5.468 1.00 0.00 C ATOM 617 C LEU A 62 2.926 -8.364 -6.411 1.00 0.00 C ATOM 618 O LEU A 62 2.267 -7.751 -7.250 1.00 0.00 O ATOM 619 CB LEU A 62 5.323 -7.797 -5.971 1.00 0.00 C ATOM 620 CG LEU A 62 5.508 -7.775 -7.489 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.455 -6.347 -8.012 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.821 -8.438 -7.876 1.00 0.00 C ATOM 0 H LEU A 62 4.642 -8.514 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 62 3.624 -6.587 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.924 -6.996 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.723 -8.737 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 62 4.693 -8.338 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.588 -6.351 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.489 -5.905 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.250 -5.761 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.936 -8.413 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.649 -7.903 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.820 -9.473 -7.535 1.00 0.00 H new ATOM 634 N PRO A 63 2.842 -9.695 -6.268 1.00 0.00 N ATOM 635 CA PRO A 63 1.963 -10.526 -7.097 1.00 0.00 C ATOM 636 C PRO A 63 0.550 -9.962 -7.188 1.00 0.00 C ATOM 637 O PRO A 63 -0.095 -10.041 -8.235 1.00 0.00 O ATOM 638 CB PRO A 63 1.955 -11.871 -6.367 1.00 0.00 C ATOM 639 CG PRO A 63 3.248 -11.908 -5.626 1.00 0.00 C ATOM 640 CD PRO A 63 3.599 -10.492 -5.288 1.00 0.00 C ATOM 0 HA PRO A 63 2.312 -10.587 -8.128 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.107 -11.947 -5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.877 -12.702 -7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.157 -12.509 -4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.029 -12.364 -6.235 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.314 -10.243 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.671 -10.315 -5.372 1.00 0.00 H new ATOM 648 N VAL A 64 0.072 -9.391 -6.087 1.00 0.00 N ATOM 649 CA VAL A 64 -1.265 -8.811 -6.044 1.00 0.00 C ATOM 650 C VAL A 64 -1.279 -7.416 -6.657 1.00 0.00 C ATOM 651 O VAL A 64 -2.290 -6.979 -7.208 1.00 0.00 O ATOM 652 CB VAL A 64 -1.796 -8.732 -4.600 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.237 -8.244 -4.587 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.675 -10.083 -3.913 1.00 0.00 C ATOM 0 H VAL A 64 0.591 -9.318 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.913 -9.466 -6.626 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.190 -8.014 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.595 -8.195 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.290 -7.253 -5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.860 -8.934 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.055 -10.008 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.255 -10.824 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.628 -10.386 -3.889 1.00 0.00 H new ATOM 664 N LEU A 65 -0.151 -6.721 -6.559 1.00 0.00 N ATOM 665 CA LEU A 65 -0.033 -5.374 -7.104 1.00 0.00 C ATOM 666 C LEU A 65 0.174 -5.414 -8.616 1.00 0.00 C ATOM 667 O LEU A 65 0.030 -4.401 -9.298 1.00 0.00 O ATOM 668 CB LEU A 65 1.128 -4.633 -6.440 1.00 0.00 C ATOM 669 CG LEU A 65 1.025 -4.444 -4.925 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.326 -3.892 -4.367 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.139 -3.526 -4.581 1.00 0.00 C ATOM 0 H LEU A 65 0.695 -7.069 -6.107 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.962 -4.843 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.049 -5.174 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.218 -3.651 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 65 0.842 -5.416 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.234 -3.764 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.138 -4.587 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.541 -2.929 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.198 -3.402 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.014 -2.554 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.068 -3.963 -4.947 1.00 0.00 H new ATOM 683 N GLU A 66 0.510 -6.593 -9.130 1.00 0.00 N ATOM 684 CA GLU A 66 0.735 -6.766 -10.560 1.00 0.00 C ATOM 685 C GLU A 66 -0.549 -7.192 -11.266 1.00 0.00 C ATOM 686 O GLU A 66 -0.902 -6.655 -12.316 1.00 0.00 O ATOM 687 CB GLU A 66 1.832 -7.803 -10.806 1.00 0.00 C ATOM 688 CG GLU A 66 3.221 -7.325 -10.411 1.00 0.00 C ATOM 689 CD GLU A 66 4.323 -8.157 -11.037 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.331 -9.388 -10.824 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.178 -7.577 -11.739 1.00 0.00 O ATOM 0 H GLU A 66 0.632 -7.442 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 66 1.054 -5.807 -10.969 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.596 -8.709 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.836 -8.072 -11.862 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.342 -6.284 -10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.318 -7.358 -9.326 1.00 0.00 H new ATOM 698 N LYS A 67 -1.244 -8.161 -10.682 1.00 0.00 N ATOM 699 CA LYS A 67 -2.490 -8.661 -11.252 1.00 0.00 C ATOM 700 C LYS A 67 -3.469 -7.519 -11.507 1.00 0.00 C ATOM 701 O LYS A 67 -4.225 -7.544 -12.478 1.00 0.00 O ATOM 702 CB LYS A 67 -3.126 -9.692 -10.315 1.00 0.00 C ATOM 703 CG LYS A 67 -3.297 -9.195 -8.891 1.00 0.00 C ATOM 704 CD LYS A 67 -3.768 -10.305 -7.966 1.00 0.00 C ATOM 705 CE LYS A 67 -5.126 -10.843 -8.388 1.00 0.00 C ATOM 706 NZ LYS A 67 -5.595 -11.934 -7.489 1.00 0.00 N ATOM 0 H LYS A 67 -0.966 -8.617 -9.813 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.259 -9.138 -12.205 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.101 -9.978 -10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.510 -10.591 -10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.350 -8.795 -8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.016 -8.376 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.038 -11.115 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.826 -9.929 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.854 -10.032 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.067 -11.215 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.524 -12.274 -7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.913 -12.719 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.676 -11.572 -6.517 1.00 0.00 H new ATOM 720 N CYS A 68 -3.445 -6.520 -10.631 1.00 0.00 N ATOM 721 CA CYS A 68 -4.331 -5.368 -10.764 1.00 0.00 C ATOM 722 C CYS A 68 -3.774 -4.367 -11.770 1.00 0.00 C ATOM 723 O CYS A 68 -4.419 -4.053 -12.770 1.00 0.00 O ATOM 724 CB CYS A 68 -4.524 -4.689 -9.406 1.00 0.00 C ATOM 725 SG CYS A 68 -5.875 -5.380 -8.422 1.00 0.00 S ATOM 0 H CYS A 68 -2.823 -6.484 -9.823 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.296 -5.722 -11.127 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.597 -4.767 -8.837 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.711 -3.627 -9.566 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.753 -4.453 -8.178 1.00 0.00 H new ATOM 731 N GLY A 69 -2.571 -3.869 -11.500 1.00 0.00 N ATOM 732 CA GLY A 69 -1.948 -2.908 -12.391 1.00 0.00 C ATOM 733 C GLY A 69 -0.441 -3.053 -12.437 1.00 0.00 C ATOM 734 O GLY A 69 0.141 -3.816 -11.667 1.00 0.00 O ATOM 0 H GLY A 69 -2.017 -4.114 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.353 -3.033 -13.395 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.203 -1.899 -12.068 1.00 0.00 H new ATOM 738 N LEU A 70 0.194 -2.320 -13.346 1.00 0.00 N ATOM 739 CA LEU A 70 1.645 -2.370 -13.492 1.00 0.00 C ATOM 740 C LEU A 70 2.337 -1.792 -12.262 1.00 0.00 C ATOM 741 O LEU A 70 1.964 -0.726 -11.770 1.00 0.00 O ATOM 742 CB LEU A 70 2.079 -1.604 -14.743 1.00 0.00 C ATOM 743 CG LEU A 70 1.616 -2.185 -16.079 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.749 -1.150 -17.185 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.408 -3.438 -16.421 1.00 0.00 C ATOM 0 H LEU A 70 -0.273 -1.684 -13.993 1.00 0.00 H new ATOM 0 HA LEU A 70 1.939 -3.415 -13.593 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.708 -0.582 -14.666 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.168 -1.548 -14.751 1.00 0.00 H new ATOM 0 HG LEU A 70 0.565 -2.459 -15.989 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.415 -1.581 -18.129 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.136 -0.281 -16.946 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.792 -0.845 -17.274 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.064 -3.837 -17.375 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.467 -3.191 -16.492 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.261 -4.185 -15.641 1.00 0.00 H new ATOM 757 N VAL A 71 3.349 -2.500 -11.770 1.00 0.00 N ATOM 758 CA VAL A 71 4.096 -2.055 -10.600 1.00 0.00 C ATOM 759 C VAL A 71 5.459 -1.498 -10.996 1.00 0.00 C ATOM 760 O VAL A 71 6.395 -2.252 -11.264 1.00 0.00 O ATOM 761 CB VAL A 71 4.296 -3.203 -9.592 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.165 -2.747 -8.430 1.00 0.00 C ATOM 763 CG2 VAL A 71 2.953 -3.715 -9.095 1.00 0.00 C ATOM 0 H VAL A 71 3.670 -3.384 -12.164 1.00 0.00 H new ATOM 0 HA VAL A 71 3.508 -1.267 -10.130 1.00 0.00 H new ATOM 0 HB VAL A 71 4.807 -4.023 -10.097 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.296 -3.571 -7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.139 -2.432 -8.805 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.684 -1.911 -7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.113 -4.526 -8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.413 -2.904 -8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.369 -4.083 -9.939 1.00 0.00 H new ATOM 773 N ASP A 72 5.563 -0.175 -11.032 1.00 0.00 N ATOM 774 CA ASP A 72 6.812 0.485 -11.395 1.00 0.00 C ATOM 775 C ASP A 72 7.851 0.326 -10.290 1.00 0.00 C ATOM 776 O ASP A 72 8.988 -0.069 -10.545 1.00 0.00 O ATOM 777 CB ASP A 72 6.569 1.969 -11.673 1.00 0.00 C ATOM 778 CG ASP A 72 7.679 2.595 -12.494 1.00 0.00 C ATOM 779 OD1 ASP A 72 7.838 2.206 -13.671 1.00 0.00 O ATOM 780 OD2 ASP A 72 8.389 3.472 -11.960 1.00 0.00 O ATOM 0 H ASP A 72 4.797 0.463 -10.814 1.00 0.00 H new ATOM 0 HA ASP A 72 7.194 0.012 -12.300 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.622 2.086 -12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.476 2.502 -10.727 1.00 0.00 H new ATOM 785 N ALA A 73 7.453 0.637 -9.060 1.00 0.00 N ATOM 786 CA ALA A 73 8.349 0.527 -7.915 1.00 0.00 C ATOM 787 C ALA A 73 7.575 0.208 -6.641 1.00 0.00 C ATOM 788 O ALA A 73 6.607 0.890 -6.303 1.00 0.00 O ATOM 789 CB ALA A 73 9.144 1.813 -7.744 1.00 0.00 C ATOM 0 H ALA A 73 6.515 0.967 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 73 9.041 -0.294 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.809 1.718 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.734 1.998 -8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.459 2.645 -7.582 1.00 0.00 H new ATOM 795 N LEU A 74 8.007 -0.834 -5.938 1.00 0.00 N ATOM 796 CA LEU A 74 7.353 -1.244 -4.701 1.00 0.00 C ATOM 797 C LEU A 74 8.280 -1.049 -3.505 1.00 0.00 C ATOM 798 O LEU A 74 9.180 -1.856 -3.264 1.00 0.00 O ATOM 799 CB LEU A 74 6.921 -2.710 -4.791 1.00 0.00 C ATOM 800 CG LEU A 74 6.584 -3.393 -3.465 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.350 -2.763 -2.838 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.378 -4.886 -3.671 1.00 0.00 C ATOM 0 H LEU A 74 8.806 -1.409 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 74 6.471 -0.619 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.048 -2.771 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.718 -3.274 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 74 7.423 -3.254 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.126 -3.262 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.536 -1.705 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.503 -2.870 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.139 -5.355 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.557 -5.047 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.290 -5.327 -4.074 1.00 0.00 H new ATOM 814 N LEU A 75 8.054 0.026 -2.758 1.00 0.00 N ATOM 815 CA LEU A 75 8.868 0.327 -1.585 1.00 0.00 C ATOM 816 C LEU A 75 8.396 -0.473 -0.374 1.00 0.00 C ATOM 817 O LEU A 75 7.228 -0.407 0.009 1.00 0.00 O ATOM 818 CB LEU A 75 8.814 1.824 -1.273 1.00 0.00 C ATOM 819 CG LEU A 75 9.577 2.277 -0.027 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.071 2.334 -0.306 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.069 3.632 0.444 1.00 0.00 C ATOM 0 H LEU A 75 7.314 0.704 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 75 9.897 0.044 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.205 2.368 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.769 2.114 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 75 9.405 1.549 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.597 2.658 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.425 1.345 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.264 3.040 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.622 3.940 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.212 4.369 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.008 3.559 0.685 1.00 0.00 H new ATOM 833 N MET A 76 9.313 -1.228 0.224 1.00 0.00 N ATOM 834 CA MET A 76 8.990 -2.038 1.393 1.00 0.00 C ATOM 835 C MET A 76 9.994 -1.795 2.515 1.00 0.00 C ATOM 836 O MET A 76 11.060 -2.409 2.570 1.00 0.00 O ATOM 837 CB MET A 76 8.970 -3.521 1.021 1.00 0.00 C ATOM 838 CG MET A 76 7.862 -3.891 0.049 1.00 0.00 C ATOM 839 SD MET A 76 7.530 -5.662 0.015 1.00 0.00 S ATOM 840 CE MET A 76 6.800 -5.900 1.634 1.00 0.00 C ATOM 0 H MET A 76 10.284 -1.295 -0.081 1.00 0.00 H new ATOM 0 HA MET A 76 8.001 -1.747 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.931 -3.790 0.582 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.857 -4.113 1.929 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.951 -3.360 0.324 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.136 -3.557 -0.952 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.449 -6.537 2.236 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.682 -4.934 2.126 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.824 -6.374 1.527 1.00 0.00 H new ATOM 850 N PRO A 77 9.648 -0.879 3.432 1.00 0.00 N ATOM 851 CA PRO A 77 10.505 -0.536 4.570 1.00 0.00 C ATOM 852 C PRO A 77 10.595 -1.666 5.590 1.00 0.00 C ATOM 853 O PRO A 77 9.604 -2.315 5.923 1.00 0.00 O ATOM 854 CB PRO A 77 9.811 0.683 5.183 1.00 0.00 C ATOM 855 CG PRO A 77 8.382 0.546 4.782 1.00 0.00 C ATOM 856 CD PRO A 77 8.392 -0.110 3.429 1.00 0.00 C ATOM 0 HA PRO A 77 11.534 -0.348 4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.918 0.696 6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.240 1.613 4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.830 -0.057 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.894 1.520 4.740 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.525 -0.756 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.373 0.626 2.625 1.00 0.00 H new ATOM 864 N PRO A 78 11.813 -1.908 6.099 1.00 0.00 N ATOM 865 CA PRO A 78 12.061 -2.960 7.090 1.00 0.00 C ATOM 866 C PRO A 78 11.450 -2.633 8.449 1.00 0.00 C ATOM 867 O PRO A 78 11.443 -1.479 8.874 1.00 0.00 O ATOM 868 CB PRO A 78 13.588 -3.003 7.186 1.00 0.00 C ATOM 869 CG PRO A 78 14.031 -1.641 6.777 1.00 0.00 C ATOM 870 CD PRO A 78 13.040 -1.174 5.748 1.00 0.00 C ATOM 0 HA PRO A 78 11.611 -3.909 6.798 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.915 -3.238 8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.005 -3.768 6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.054 -0.965 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.039 -1.666 6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.890 -0.095 5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.372 -1.406 4.736 1.00 0.00 H new ATOM 878 N ASN A 79 10.939 -3.657 9.125 1.00 0.00 N ATOM 879 CA ASN A 79 10.326 -3.477 10.435 1.00 0.00 C ATOM 880 C ASN A 79 9.175 -2.479 10.365 1.00 0.00 C ATOM 881 O ASN A 79 8.971 -1.685 11.283 1.00 0.00 O ATOM 882 CB ASN A 79 11.369 -3.000 11.449 1.00 0.00 C ATOM 883 CG ASN A 79 12.480 -4.011 11.654 1.00 0.00 C ATOM 884 OD1 ASN A 79 12.254 -5.221 11.589 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.688 -3.520 11.904 1.00 0.00 N ATOM 0 H ASN A 79 10.938 -4.619 8.787 1.00 0.00 H new ATOM 0 HA ASN A 79 9.929 -4.440 10.758 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.798 -2.057 11.109 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.880 -2.803 12.403 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.475 -4.152 12.051 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.829 -2.511 11.949 1.00 0.00 H new ATOM 892 N LYS A 80 8.424 -2.526 9.270 1.00 0.00 N ATOM 893 CA LYS A 80 7.292 -1.628 9.079 1.00 0.00 C ATOM 894 C LYS A 80 6.076 -2.388 8.559 1.00 0.00 C ATOM 895 O LYS A 80 6.113 -3.018 7.502 1.00 0.00 O ATOM 896 CB LYS A 80 7.661 -0.508 8.104 1.00 0.00 C ATOM 897 CG LYS A 80 8.543 0.567 8.718 1.00 0.00 C ATOM 898 CD LYS A 80 7.814 1.328 9.813 1.00 0.00 C ATOM 899 CE LYS A 80 8.444 2.690 10.058 1.00 0.00 C ATOM 900 NZ LYS A 80 9.724 2.583 10.811 1.00 0.00 N ATOM 0 H LYS A 80 8.579 -3.177 8.501 1.00 0.00 H new ATOM 0 HA LYS A 80 7.040 -1.192 10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.174 -0.940 7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.747 -0.047 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.443 0.110 9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.864 1.262 7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.768 1.454 9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.831 0.747 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.625 3.183 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.747 3.317 10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.121 3.533 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.548 2.136 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.398 2.006 10.269 1.00 0.00 H new ATOM 914 N PRO A 81 4.970 -2.329 9.317 1.00 0.00 N ATOM 915 CA PRO A 81 3.723 -3.004 8.950 1.00 0.00 C ATOM 916 C PRO A 81 3.048 -2.362 7.743 1.00 0.00 C ATOM 917 O PRO A 81 2.045 -2.867 7.237 1.00 0.00 O ATOM 918 CB PRO A 81 2.852 -2.841 10.199 1.00 0.00 C ATOM 919 CG PRO A 81 3.377 -1.620 10.871 1.00 0.00 C ATOM 920 CD PRO A 81 4.854 -1.596 10.589 1.00 0.00 C ATOM 0 HA PRO A 81 3.891 -4.042 8.662 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.800 -2.727 9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.925 -3.713 10.849 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.891 -0.723 10.486 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.185 -1.651 11.943 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.230 -0.577 10.501 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.423 -2.078 11.384 1.00 0.00 H new ATOM 928 N TYR A 82 3.604 -1.246 7.285 1.00 0.00 N ATOM 929 CA TYR A 82 3.055 -0.532 6.137 1.00 0.00 C ATOM 930 C TYR A 82 4.102 -0.383 5.037 1.00 0.00 C ATOM 931 O TYR A 82 5.293 -0.248 5.313 1.00 0.00 O ATOM 932 CB TYR A 82 2.546 0.846 6.563 1.00 0.00 C ATOM 933 CG TYR A 82 3.613 1.723 7.177 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.585 2.324 6.386 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.651 1.949 8.547 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.562 3.126 6.943 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.623 2.751 9.112 1.00 0.00 C ATOM 938 CZ TYR A 82 5.578 3.336 8.306 1.00 0.00 C ATOM 939 OH TYR A 82 6.550 4.133 8.865 1.00 0.00 O ATOM 0 H TYR A 82 4.435 -0.816 7.691 1.00 0.00 H new ATOM 0 HA TYR A 82 2.221 -1.114 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.126 1.353 5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.735 0.719 7.280 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.576 2.161 5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.907 1.490 9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.310 3.586 6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.636 2.919 10.179 1.00 0.00 H new ATOM 0 HH TYR A 82 6.195 4.567 9.669 1.00 0.00 H new ATOM 949 N SER A 83 3.645 -0.409 3.789 1.00 0.00 N ATOM 950 CA SER A 83 4.541 -0.279 2.646 1.00 0.00 C ATOM 951 C SER A 83 3.984 0.714 1.629 1.00 0.00 C ATOM 952 O SER A 83 2.876 1.225 1.787 1.00 0.00 O ATOM 953 CB SER A 83 4.753 -1.641 1.980 1.00 0.00 C ATOM 954 OG SER A 83 5.502 -2.506 2.817 1.00 0.00 O ATOM 0 H SER A 83 2.661 -0.519 3.544 1.00 0.00 H new ATOM 0 HA SER A 83 5.499 0.095 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.787 -2.094 1.755 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.272 -1.509 1.031 1.00 0.00 H new ATOM 0 HG SER A 83 5.717 -2.045 3.655 1.00 0.00 H new ATOM 960 N PHE A 84 4.763 0.982 0.587 1.00 0.00 N ATOM 961 CA PHE A 84 4.351 1.915 -0.456 1.00 0.00 C ATOM 962 C PHE A 84 4.600 1.327 -1.842 1.00 0.00 C ATOM 963 O PHE A 84 5.654 0.747 -2.101 1.00 0.00 O ATOM 964 CB PHE A 84 5.100 3.241 -0.310 1.00 0.00 C ATOM 965 CG PHE A 84 5.026 3.822 1.074 1.00 0.00 C ATOM 966 CD1 PHE A 84 3.985 4.665 1.431 1.00 0.00 C ATOM 967 CD2 PHE A 84 5.996 3.525 2.017 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.914 5.201 2.702 1.00 0.00 C ATOM 969 CE2 PHE A 84 5.930 4.059 3.291 1.00 0.00 C ATOM 970 CZ PHE A 84 4.888 4.898 3.633 1.00 0.00 C ATOM 0 H PHE A 84 5.683 0.567 0.442 1.00 0.00 H new ATOM 0 HA PHE A 84 3.282 2.096 -0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.146 3.090 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.691 3.960 -1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.221 4.905 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.813 2.869 1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.098 5.856 2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.693 3.820 4.018 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.835 5.317 4.627 1.00 0.00 H new ATOM 980 N ALA A 85 3.622 1.481 -2.728 1.00 0.00 N ATOM 981 CA ALA A 85 3.735 0.967 -4.088 1.00 0.00 C ATOM 982 C ALA A 85 3.609 2.090 -5.110 1.00 0.00 C ATOM 983 O ALA A 85 2.993 3.122 -4.842 1.00 0.00 O ATOM 984 CB ALA A 85 2.679 -0.099 -4.338 1.00 0.00 C ATOM 0 H ALA A 85 2.742 1.957 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 85 4.722 0.518 -4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.775 -0.474 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.817 -0.920 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.687 0.332 -4.202 1.00 0.00 H new ATOM 990 N ARG A 86 4.196 1.883 -6.285 1.00 0.00 N ATOM 991 CA ARG A 86 4.151 2.880 -7.348 1.00 0.00 C ATOM 992 C ARG A 86 3.727 2.246 -8.670 1.00 0.00 C ATOM 993 O ARG A 86 4.475 1.471 -9.266 1.00 0.00 O ATOM 994 CB ARG A 86 5.518 3.550 -7.506 1.00 0.00 C ATOM 995 CG ARG A 86 5.440 4.974 -8.030 1.00 0.00 C ATOM 996 CD ARG A 86 6.628 5.803 -7.566 1.00 0.00 C ATOM 997 NE ARG A 86 7.754 5.712 -8.491 1.00 0.00 N ATOM 998 CZ ARG A 86 7.812 6.365 -9.646 1.00 0.00 C ATOM 999 NH1 ARG A 86 6.812 7.154 -10.016 1.00 0.00 N ATOM 1000 NH2 ARG A 86 8.872 6.230 -10.434 1.00 0.00 N ATOM 0 H ARG A 86 4.708 1.034 -6.524 1.00 0.00 H new ATOM 0 HA ARG A 86 3.414 3.635 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.025 3.554 -6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.129 2.955 -8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.407 4.961 -9.119 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.515 5.439 -7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.325 6.845 -7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.942 5.465 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 86 8.540 5.114 -8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.996 7.260 -9.413 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.859 7.655 -10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.643 5.624 -10.153 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.915 6.732 -11.321 1.00 0.00 H new ATOM 1014 N TYR A 87 2.524 2.582 -9.121 1.00 0.00 N ATOM 1015 CA TYR A 87 1.999 2.043 -10.370 1.00 0.00 C ATOM 1016 C TYR A 87 2.505 2.845 -11.564 1.00 0.00 C ATOM 1017 O TYR A 87 3.142 3.886 -11.402 1.00 0.00 O ATOM 1018 CB TYR A 87 0.469 2.049 -10.349 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.130 0.920 -9.543 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.369 1.063 -8.181 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.457 -0.291 -10.141 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.915 0.034 -7.440 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.005 -1.325 -9.407 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.233 -1.157 -8.057 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.778 -2.186 -7.322 1.00 0.00 O ATOM 0 H TYR A 87 1.894 3.225 -8.641 1.00 0.00 H new ATOM 0 HA TYR A 87 2.351 1.016 -10.470 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.123 2.999 -9.941 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.100 1.989 -11.373 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.123 1.995 -7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.280 -0.426 -11.198 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.092 0.161 -6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.254 -2.260 -9.887 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.944 -2.954 -7.908 1.00 0.00 H new ATOM 1035 N ARG A 88 2.218 2.352 -12.764 1.00 0.00 N ATOM 1036 CA ARG A 88 2.645 3.021 -13.988 1.00 0.00 C ATOM 1037 C ARG A 88 1.671 4.133 -14.368 1.00 0.00 C ATOM 1038 O ARG A 88 2.080 5.225 -14.762 1.00 0.00 O ATOM 1039 CB ARG A 88 2.757 2.013 -15.133 1.00 0.00 C ATOM 1040 CG ARG A 88 3.097 2.648 -16.472 1.00 0.00 C ATOM 1041 CD ARG A 88 4.596 2.857 -16.624 1.00 0.00 C ATOM 1042 NE ARG A 88 4.912 3.782 -17.710 1.00 0.00 N ATOM 1043 CZ ARG A 88 4.971 3.423 -18.987 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.736 2.166 -19.338 1.00 0.00 N ATOM 1045 NH2 ARG A 88 5.265 4.323 -19.917 1.00 0.00 N ATOM 0 H ARG A 88 1.692 1.492 -12.915 1.00 0.00 H new ATOM 0 HA ARG A 88 3.624 3.465 -13.807 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.522 1.277 -14.885 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.814 1.474 -15.225 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.733 2.013 -17.280 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.584 3.605 -16.563 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.005 3.241 -15.690 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.079 1.898 -16.813 1.00 0.00 H new ATOM 0 HE ARG A 88 5.097 4.757 -17.474 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.509 1.472 -18.626 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.782 1.894 -20.320 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.446 5.291 -19.651 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.310 4.047 -20.898 1.00 0.00 H new ATOM 1059 N THR A 89 0.378 3.846 -14.247 1.00 0.00 N ATOM 1060 CA THR A 89 -0.655 4.819 -14.580 1.00 0.00 C ATOM 1061 C THR A 89 -1.678 4.940 -13.456 1.00 0.00 C ATOM 1062 O THR A 89 -2.104 3.939 -12.879 1.00 0.00 O ATOM 1063 CB THR A 89 -1.383 4.443 -15.884 1.00 0.00 C ATOM 1064 OG1 THR A 89 -2.033 3.176 -15.734 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.408 4.383 -17.050 1.00 0.00 C ATOM 0 H THR A 89 0.022 2.948 -13.921 1.00 0.00 H new ATOM 0 HA THR A 89 -0.154 5.777 -14.717 1.00 0.00 H new ATOM 0 HB THR A 89 -2.128 5.211 -16.093 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.495 2.945 -16.567 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.945 4.116 -17.960 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.064 5.357 -17.180 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.357 3.633 -16.847 1.00 0.00 H new ATOM 1073 N THR A 90 -2.072 6.173 -13.150 1.00 0.00 N ATOM 1074 CA THR A 90 -3.045 6.424 -12.095 1.00 0.00 C ATOM 1075 C THR A 90 -4.172 5.399 -12.131 1.00 0.00 C ATOM 1076 O THR A 90 -4.393 4.672 -11.163 1.00 0.00 O ATOM 1077 CB THR A 90 -3.648 7.836 -12.212 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.638 8.768 -12.617 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.249 8.280 -10.887 1.00 0.00 C ATOM 0 H THR A 90 -1.732 7.013 -13.618 1.00 0.00 H new ATOM 0 HA THR A 90 -2.512 6.341 -11.148 1.00 0.00 H new ATOM 0 HB THR A 90 -4.439 7.807 -12.961 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.030 9.663 -12.691 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.669 9.280 -10.995 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.037 7.586 -10.594 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.473 8.293 -10.122 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.882 5.346 -13.255 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.987 4.407 -13.415 1.00 0.00 C ATOM 1089 C GLU A 91 -5.708 3.105 -12.671 1.00 0.00 C ATOM 1090 O GLU A 91 -6.530 2.640 -11.883 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.228 4.119 -14.898 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.641 5.344 -15.697 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.313 5.215 -17.173 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -5.354 4.489 -17.507 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -7.017 5.841 -17.992 1.00 0.00 O ATOM 0 H GLU A 91 -4.712 5.941 -14.066 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.882 4.862 -12.990 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.318 3.703 -15.331 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.002 3.357 -14.990 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.712 5.506 -15.579 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.140 6.223 -15.293 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.542 2.520 -12.930 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.155 1.271 -12.286 1.00 0.00 C ATOM 1104 C GLU A 92 -4.208 1.402 -10.766 1.00 0.00 C ATOM 1105 O GLU A 92 -4.920 0.658 -10.093 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.748 0.860 -12.724 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.681 0.349 -14.154 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.932 -0.405 -14.563 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -4.083 -1.573 -14.148 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -4.758 0.173 -15.298 1.00 0.00 O ATOM 0 H GLU A 92 -3.850 2.891 -13.581 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.863 0.501 -12.592 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.080 1.715 -12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.379 0.085 -12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.531 1.191 -14.830 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.816 -0.305 -14.262 1.00 0.00 H new ATOM 1117 N SER A 93 -3.448 2.355 -10.234 1.00 0.00 N ATOM 1118 CA SER A 93 -3.405 2.582 -8.794 1.00 0.00 C ATOM 1119 C SER A 93 -4.805 2.521 -8.192 1.00 0.00 C ATOM 1120 O SER A 93 -5.070 1.735 -7.283 1.00 0.00 O ATOM 1121 CB SER A 93 -2.764 3.937 -8.490 1.00 0.00 C ATOM 1122 OG SER A 93 -3.260 4.474 -7.275 1.00 0.00 O ATOM 0 H SER A 93 -2.855 2.981 -10.778 1.00 0.00 H new ATOM 0 HA SER A 93 -2.802 1.794 -8.344 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.682 3.825 -8.427 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.966 4.630 -9.307 1.00 0.00 H new ATOM 0 HG SER A 93 -2.720 5.249 -7.015 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.701 3.358 -8.706 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.074 3.402 -8.222 1.00 0.00 C ATOM 1130 C LYS A 94 -7.705 2.012 -8.247 1.00 0.00 C ATOM 1131 O LYS A 94 -8.246 1.549 -7.243 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.907 4.365 -9.072 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.704 5.826 -8.710 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.900 6.731 -9.914 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.371 6.864 -10.277 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.563 7.616 -11.548 1.00 0.00 N ATOM 0 H LYS A 94 -5.499 4.016 -9.459 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.057 3.757 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.654 4.221 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.962 4.115 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.405 6.108 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.701 5.966 -8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.486 7.717 -9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.349 6.331 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.813 5.872 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.899 7.373 -9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.579 7.685 -11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.164 8.571 -11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.080 7.117 -12.323 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.627 1.353 -9.398 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.189 0.017 -9.552 1.00 0.00 C ATOM 1152 C ARG A 95 -7.781 -0.883 -8.390 1.00 0.00 C ATOM 1153 O ARG A 95 -8.598 -1.629 -7.853 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.733 -0.602 -10.875 1.00 0.00 C ATOM 1155 CG ARG A 95 -7.909 -2.111 -10.933 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.169 -2.712 -12.119 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.984 -2.711 -13.331 1.00 0.00 N ATOM 1158 CZ ARG A 95 -7.755 -3.504 -14.371 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -6.741 -4.357 -14.348 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.542 -3.445 -15.439 1.00 0.00 N ATOM 0 H ARG A 95 -7.180 1.722 -10.237 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.275 0.106 -9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.294 -0.147 -11.692 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.682 -0.361 -11.037 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.541 -2.557 -10.009 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.970 -2.353 -11.004 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.253 -2.149 -12.298 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.874 -3.734 -11.882 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.772 -2.066 -13.381 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.134 -4.406 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.568 -4.965 -15.149 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.324 -2.790 -15.461 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.365 -4.055 -16.237 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.511 -0.805 -8.006 1.00 0.00 N ATOM 1175 CA ALA A 96 -5.994 -1.610 -6.906 1.00 0.00 C ATOM 1176 C ALA A 96 -6.433 -1.046 -5.560 1.00 0.00 C ATOM 1177 O ALA A 96 -6.627 -1.790 -4.597 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.476 -1.690 -6.978 1.00 0.00 C ATOM 0 H ALA A 96 -5.821 -0.192 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.404 -2.615 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.104 -2.294 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.180 -2.147 -7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.055 -0.687 -6.913 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.587 0.272 -5.497 1.00 0.00 N ATOM 1185 CA TYR A 97 -7.000 0.936 -4.266 1.00 0.00 C ATOM 1186 C TYR A 97 -8.437 0.569 -3.905 1.00 0.00 C ATOM 1187 O TYR A 97 -8.780 0.440 -2.731 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.870 2.453 -4.412 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.697 3.230 -3.413 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.270 3.386 -2.101 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.904 3.810 -3.783 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -8.023 4.095 -1.184 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.662 4.523 -2.873 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.217 4.661 -1.576 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.969 5.369 -0.666 1.00 0.00 O ATOM 0 H TYR A 97 -6.432 0.902 -6.284 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.345 0.598 -3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.822 2.732 -4.299 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.169 2.740 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.334 2.946 -1.792 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.256 3.702 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.678 4.205 -0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.597 4.969 -3.177 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.780 5.704 -1.102 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.272 0.404 -4.927 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.671 0.051 -4.719 1.00 0.00 C ATOM 1207 C VAL A 98 -10.859 -1.461 -4.692 1.00 0.00 C ATOM 1208 O VAL A 98 -11.873 -1.965 -4.209 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.570 0.649 -5.818 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.035 0.562 -5.416 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.173 2.089 -6.106 1.00 0.00 C ATOM 0 H VAL A 98 -9.004 0.509 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.962 0.467 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.433 0.069 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.655 0.989 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.309 -0.482 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.192 1.116 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.818 2.496 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.279 2.684 -5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.136 2.121 -6.441 1.00 0.00 H new ATOM 1221 N THR A 99 -9.872 -2.184 -5.213 1.00 0.00 N ATOM 1222 CA THR A 99 -9.927 -3.640 -5.249 1.00 0.00 C ATOM 1223 C THR A 99 -9.106 -4.250 -4.120 1.00 0.00 C ATOM 1224 O THR A 99 -9.643 -4.930 -3.245 1.00 0.00 O ATOM 1225 CB THR A 99 -9.415 -4.187 -6.595 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.306 -3.807 -7.650 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.292 -5.704 -6.551 1.00 0.00 C ATOM 0 H THR A 99 -9.025 -1.784 -5.616 1.00 0.00 H new ATOM 0 HA THR A 99 -10.973 -3.920 -5.125 1.00 0.00 H new ATOM 0 HB THR A 99 -8.429 -3.763 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.017 -2.951 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.929 -6.068 -7.512 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.591 -5.990 -5.767 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.268 -6.142 -6.343 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.801 -4.003 -4.144 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.903 -4.527 -3.121 1.00 0.00 C ATOM 1237 C LEU A 100 -7.364 -4.111 -1.728 1.00 0.00 C ATOM 1238 O LEU A 100 -7.453 -4.936 -0.820 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.475 -4.037 -3.366 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.932 -4.237 -4.782 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.462 -3.851 -4.847 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.127 -5.677 -5.230 1.00 0.00 C ATOM 0 H LEU A 100 -7.341 -3.443 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.921 -5.615 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.431 -2.974 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.812 -4.548 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.488 -3.589 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.091 -3.999 -5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.348 -2.803 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.892 -4.473 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.735 -5.800 -6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.597 -6.344 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.190 -5.920 -5.221 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.657 -2.824 -1.567 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.109 -2.298 -0.284 1.00 0.00 C ATOM 1256 C ASN A 101 -9.281 -3.113 0.255 1.00 0.00 C ATOM 1257 O ASN A 101 -10.306 -3.261 -0.408 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.518 -0.830 -0.428 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.762 -0.164 0.913 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.226 -0.801 1.859 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.452 1.123 0.999 1.00 0.00 N ATOM 0 H ASN A 101 -7.589 -2.127 -2.309 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.283 -2.371 0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.737 -0.289 -0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.422 -0.765 -1.033 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.596 1.625 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.070 1.611 0.189 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.119 -3.641 1.465 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.171 -4.434 2.074 1.00 0.00 C ATOM 1270 C GLY A 102 -10.030 -5.913 1.773 1.00 0.00 C ATOM 1271 O GLY A 102 -10.532 -6.757 2.517 1.00 0.00 O ATOM 0 H GLY A 102 -8.279 -3.534 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.157 -4.283 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.139 -4.084 1.716 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.345 -6.230 0.680 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.139 -7.617 0.281 1.00 0.00 C ATOM 1277 C LYS A 103 -8.184 -8.323 1.239 1.00 0.00 C ATOM 1278 O LYS A 103 -7.266 -7.707 1.778 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.586 -7.683 -1.145 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.623 -9.077 -1.748 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.681 -9.195 -2.935 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.835 -10.536 -3.637 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.506 -11.675 -2.735 1.00 0.00 N ATOM 0 H LYS A 103 -8.923 -5.544 0.054 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.103 -8.125 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.159 -7.007 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.557 -7.324 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.348 -9.810 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.640 -9.311 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.880 -8.389 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.652 -9.076 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.858 -10.642 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.184 -10.565 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.824 -12.304 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.092 -11.311 -1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.373 -12.206 -2.517 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.409 -9.616 1.445 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.567 -10.405 2.339 1.00 0.00 C ATOM 1299 C GLU A 104 -6.485 -11.142 1.557 1.00 0.00 C ATOM 1300 O GLU A 104 -6.599 -11.334 0.346 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.417 -11.406 3.124 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.192 -10.780 4.271 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.528 -10.214 3.832 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -10.532 -9.202 3.100 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -11.569 -10.783 4.220 1.00 0.00 O ATOM 0 H GLU A 104 -9.166 -10.140 1.006 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.084 -9.723 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.119 -11.887 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.769 -12.189 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.356 -11.529 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.594 -9.986 4.718 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.433 -11.553 2.258 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.329 -12.271 1.631 1.00 0.00 C ATOM 1314 C VAL A 105 -3.575 -13.118 2.649 1.00 0.00 C ATOM 1315 O VAL A 105 -3.265 -12.657 3.748 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.341 -11.300 0.954 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -4.024 -10.543 -0.173 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.757 -10.337 1.978 1.00 0.00 C ATOM 0 H VAL A 105 -5.322 -11.401 3.260 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.765 -12.922 0.873 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.523 -11.880 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.311 -9.863 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.390 -11.250 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.862 -9.972 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.062 -9.658 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.561 -9.762 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.229 -10.900 2.748 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.282 -14.361 2.277 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.563 -15.273 3.157 1.00 0.00 C ATOM 1330 C VAL A 106 -1.122 -14.819 3.360 1.00 0.00 C ATOM 1331 O VAL A 106 -0.389 -14.599 2.396 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.564 -16.709 2.599 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.500 -17.550 3.286 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -3.939 -17.340 2.757 1.00 0.00 C ATOM 0 H VAL A 106 -3.532 -14.758 1.372 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.082 -15.263 4.115 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.328 -16.667 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.516 -18.561 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.519 -17.106 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.701 -17.587 4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.922 -18.354 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.206 -17.370 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.676 -16.748 2.213 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.723 -14.682 4.620 1.00 0.00 N ATOM 1345 CA ASP A 107 0.632 -14.257 4.950 1.00 0.00 C ATOM 1346 C ASP A 107 1.564 -15.457 5.073 1.00 0.00 C ATOM 1347 O ASP A 107 1.152 -16.600 4.874 1.00 0.00 O ATOM 1348 CB ASP A 107 0.635 -13.456 6.254 1.00 0.00 C ATOM 1349 CG ASP A 107 0.788 -14.340 7.475 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.087 -15.202 7.698 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.785 -14.171 8.209 1.00 0.00 O ATOM 0 H ASP A 107 -1.318 -14.859 5.429 1.00 0.00 H new ATOM 0 HA ASP A 107 0.994 -13.622 4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.448 -12.731 6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.294 -12.891 6.332 1.00 0.00 H new ATOM 1356 N ASP A 108 2.824 -15.190 5.403 1.00 0.00 N ATOM 1357 CA ASP A 108 3.816 -16.249 5.554 1.00 0.00 C ATOM 1358 C ASP A 108 3.331 -17.311 6.536 1.00 0.00 C ATOM 1359 O ASP A 108 3.502 -18.509 6.305 1.00 0.00 O ATOM 1360 CB ASP A 108 5.147 -15.666 6.030 1.00 0.00 C ATOM 1361 CG ASP A 108 6.329 -16.531 5.639 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.402 -17.684 6.111 1.00 0.00 O ATOM 1363 OD2 ASP A 108 7.183 -16.053 4.863 1.00 0.00 O ATOM 0 H ASP A 108 3.182 -14.250 5.571 1.00 0.00 H new ATOM 0 HA ASP A 108 3.962 -16.719 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.275 -14.669 5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.125 -15.554 7.114 1.00 0.00 H new ATOM 1368 N LEU A 109 2.727 -16.865 7.632 1.00 0.00 N ATOM 1369 CA LEU A 109 2.219 -17.777 8.650 1.00 0.00 C ATOM 1370 C LEU A 109 1.105 -18.655 8.088 1.00 0.00 C ATOM 1371 O LEU A 109 0.888 -19.773 8.552 1.00 0.00 O ATOM 1372 CB LEU A 109 1.704 -16.991 9.857 1.00 0.00 C ATOM 1373 CG LEU A 109 2.698 -16.021 10.499 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.053 -15.292 11.668 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.947 -16.762 10.953 1.00 0.00 C ATOM 0 H LEU A 109 2.577 -15.877 7.838 1.00 0.00 H new ATOM 0 HA LEU A 109 3.039 -18.421 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.823 -16.427 9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.378 -17.702 10.616 1.00 0.00 H new ATOM 0 HG LEU A 109 2.989 -15.281 9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.775 -14.607 12.112 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.189 -14.730 11.314 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.733 -16.017 12.417 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.643 -16.057 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.673 -17.523 11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.421 -17.237 10.094 1.00 0.00 H new ATOM 1387 N GLY A 110 0.401 -18.139 7.084 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.680 -18.890 6.474 1.00 0.00 C ATOM 1389 C GLY A 110 -2.046 -18.378 6.886 1.00 0.00 C ATOM 1390 O GLY A 110 -3.059 -19.034 6.649 1.00 0.00 O ATOM 0 H GLY A 110 0.561 -17.215 6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.588 -18.838 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.590 -19.940 6.751 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.073 -17.203 7.508 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.325 -16.606 7.957 1.00 0.00 C ATOM 1396 C GLN A 111 -3.712 -15.425 7.072 1.00 0.00 C ATOM 1397 O GLN A 111 -2.882 -14.571 6.759 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.204 -16.149 9.412 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.902 -17.282 10.381 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.442 -17.018 11.773 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -2.683 -16.919 12.737 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -4.761 -16.903 11.884 1.00 0.00 N ATOM 0 H GLN A 111 -1.243 -16.647 7.712 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.106 -17.363 7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.416 -15.400 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.133 -15.664 9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.332 -18.207 9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.824 -17.431 10.436 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -5.352 -16.992 11.058 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -5.183 -16.725 12.796 1.00 0.00 H new ATOM 1411 N LYS A 112 -4.978 -15.382 6.673 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.478 -14.306 5.825 1.00 0.00 C ATOM 1413 C LYS A 112 -5.510 -12.985 6.586 1.00 0.00 C ATOM 1414 O LYS A 112 -6.127 -12.883 7.646 1.00 0.00 O ATOM 1415 CB LYS A 112 -6.878 -14.644 5.308 1.00 0.00 C ATOM 1416 CG LYS A 112 -6.893 -15.753 4.271 1.00 0.00 C ATOM 1417 CD LYS A 112 -8.174 -15.736 3.455 1.00 0.00 C ATOM 1418 CE LYS A 112 -8.197 -16.861 2.430 1.00 0.00 C ATOM 1419 NZ LYS A 112 -8.606 -18.157 3.038 1.00 0.00 N ATOM 0 H LYS A 112 -5.678 -16.081 6.923 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.801 -14.201 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.506 -14.937 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.322 -13.748 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.036 -15.643 3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.790 -16.718 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.032 -15.831 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.270 -14.777 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.885 -16.604 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.208 -16.965 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.609 -18.897 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.935 -18.415 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.560 -18.065 3.442 1.00 0.00 H new ATOM 1433 N ILE A 113 -4.843 -11.975 6.037 1.00 0.00 N ATOM 1434 CA ILE A 113 -4.799 -10.659 6.663 1.00 0.00 C ATOM 1435 C ILE A 113 -5.513 -9.618 5.808 1.00 0.00 C ATOM 1436 O ILE A 113 -5.477 -9.678 4.578 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.349 -10.200 6.907 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.552 -11.303 7.608 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.329 -8.921 7.729 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.094 -10.957 7.815 1.00 0.00 C ATOM 0 H ILE A 113 -4.326 -12.043 5.160 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.310 -10.749 7.622 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.882 -9.997 5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.009 -11.511 8.576 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.620 -12.218 7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.297 -8.610 7.893 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.864 -8.136 7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.811 -9.099 8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.592 -11.784 8.317 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.622 -10.778 6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.017 -10.059 8.429 1.00 0.00 H new ATOM 1452 N THR A 114 -6.161 -8.662 6.466 1.00 0.00 N ATOM 1453 CA THR A 114 -6.882 -7.607 5.766 1.00 0.00 C ATOM 1454 C THR A 114 -6.021 -6.358 5.615 1.00 0.00 C ATOM 1455 O THR A 114 -5.730 -5.670 6.594 1.00 0.00 O ATOM 1456 CB THR A 114 -8.183 -7.233 6.502 1.00 0.00 C ATOM 1457 OG1 THR A 114 -8.792 -8.408 7.050 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.158 -6.543 5.561 1.00 0.00 C ATOM 0 H THR A 114 -6.201 -8.597 7.483 1.00 0.00 H new ATOM 0 HA THR A 114 -7.130 -7.996 4.778 1.00 0.00 H new ATOM 0 HB THR A 114 -7.932 -6.544 7.309 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.617 -8.161 7.517 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.069 -6.289 6.103 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.703 -5.633 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.402 -7.212 4.736 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.615 -6.071 4.383 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.787 -4.904 4.104 1.00 0.00 C ATOM 1468 C LEU A 115 -5.629 -3.758 3.551 1.00 0.00 C ATOM 1469 O LEU A 115 -6.619 -3.982 2.854 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.681 -5.265 3.110 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.016 -6.626 3.312 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.926 -6.847 2.274 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.445 -6.738 4.718 1.00 0.00 C ATOM 0 H LEU A 115 -5.846 -6.630 3.562 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.334 -4.578 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.100 -5.233 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.910 -4.496 3.159 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.773 -7.400 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.464 -7.821 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.362 -6.811 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.170 -6.067 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.976 -7.714 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.702 -5.955 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.248 -6.625 5.447 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.228 -2.531 3.863 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.945 -1.350 3.398 1.00 0.00 C ATOM 1487 C TYR A 116 -5.016 -0.416 2.629 1.00 0.00 C ATOM 1488 O TYR A 116 -4.000 0.040 3.156 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.568 -0.607 4.581 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.860 -1.223 5.069 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.853 -2.284 5.966 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.089 -0.741 4.635 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -9.030 -2.850 6.415 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.273 -1.300 5.080 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.238 -2.354 5.968 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.414 -2.914 6.413 1.00 0.00 O ATOM 0 H TYR A 116 -4.409 -2.328 4.437 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.738 -1.679 2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.852 -0.585 5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.754 0.427 4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.909 -2.673 6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.120 0.084 3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -9.005 -3.675 7.111 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.220 -0.913 4.734 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.173 -2.449 6.004 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.372 -0.134 1.381 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.572 0.746 0.537 1.00 0.00 C ATOM 1508 C LEU A 117 -5.116 2.171 0.566 1.00 0.00 C ATOM 1509 O LEU A 117 -6.304 2.397 0.339 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.551 0.227 -0.902 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.606 -0.944 -1.178 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.211 -2.247 -0.681 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.289 -1.034 -2.664 1.00 0.00 C ATOM 0 H LEU A 117 -6.210 -0.502 0.931 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.555 0.756 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.562 -0.076 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.278 1.051 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.675 -0.770 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.525 -3.068 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.387 -2.180 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.156 -2.428 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.616 -1.872 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.212 -1.184 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.812 -0.110 -2.991 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.238 3.129 0.846 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.630 4.532 0.905 1.00 0.00 C ATOM 1527 C ASN A 118 -3.870 5.353 -0.133 1.00 0.00 C ATOM 1528 O ASN A 118 -2.710 5.071 -0.434 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.376 5.097 2.303 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.561 4.900 3.230 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.714 5.033 2.819 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.280 4.583 4.489 1.00 0.00 N ATOM 0 H ASN A 118 -3.250 2.959 1.036 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.695 4.595 0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.498 4.615 2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.151 6.161 2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.035 4.439 5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.309 4.483 4.785 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.532 6.369 -0.677 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.919 7.231 -1.681 1.00 0.00 C ATOM 1541 C PHE A 119 -2.902 8.172 -1.042 1.00 0.00 C ATOM 1542 O PHE A 119 -3.217 8.898 -0.099 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.991 8.040 -2.412 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.781 7.233 -3.403 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.139 6.455 -4.351 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.167 7.251 -3.384 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.862 5.711 -5.264 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.896 6.510 -4.293 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.242 5.738 -5.235 1.00 0.00 C ATOM 0 H PHE A 119 -5.493 6.616 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.399 6.597 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.674 8.469 -1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.516 8.873 -2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.060 6.429 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.683 7.852 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.348 5.109 -5.999 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.975 6.534 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.810 5.157 -5.947 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.680 8.155 -1.563 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.615 9.006 -1.046 1.00 0.00 C ATOM 1561 C VAL A 120 0.023 9.828 -2.161 1.00 0.00 C ATOM 1562 O VAL A 120 0.470 9.281 -3.169 1.00 0.00 O ATOM 1563 CB VAL A 120 0.477 8.177 -0.345 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.097 7.452 0.864 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.106 7.193 -1.319 1.00 0.00 C ATOM 0 H VAL A 120 -1.402 7.560 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.072 9.678 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 120 1.256 8.855 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.689 6.871 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.496 8.181 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.896 6.784 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.876 6.616 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.340 6.518 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.554 7.739 -2.149 1.00 0.00 H new ATOM 1575 N GLU A 121 0.063 11.142 -1.972 1.00 0.00 N ATOM 1576 CA GLU A 121 0.646 12.040 -2.962 1.00 0.00 C ATOM 1577 C GLU A 121 2.166 11.903 -2.990 1.00 0.00 C ATOM 1578 O GLU A 121 2.777 11.854 -4.058 1.00 0.00 O ATOM 1579 CB GLU A 121 0.259 13.489 -2.663 1.00 0.00 C ATOM 1580 CG GLU A 121 0.504 13.898 -1.221 1.00 0.00 C ATOM 1581 CD GLU A 121 0.246 15.374 -0.982 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.471 16.174 -1.914 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.181 15.728 0.137 1.00 0.00 O ATOM 0 H GLU A 121 -0.302 11.609 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 121 0.254 11.763 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 121 0.823 14.150 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.796 13.631 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.139 13.310 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.534 13.664 -0.951 1.00 0.00 H new ATOM 1590 N LYS A 122 2.771 11.844 -1.809 1.00 0.00 N ATOM 1591 CA LYS A 122 4.219 11.712 -1.695 1.00 0.00 C ATOM 1592 C LYS A 122 4.589 10.596 -0.724 1.00 0.00 C ATOM 1593 O LYS A 122 3.808 10.242 0.159 1.00 0.00 O ATOM 1594 CB LYS A 122 4.836 13.033 -1.229 1.00 0.00 C ATOM 1595 CG LYS A 122 4.253 13.550 0.074 1.00 0.00 C ATOM 1596 CD LYS A 122 5.201 14.518 0.763 1.00 0.00 C ATOM 1597 CE LYS A 122 4.953 15.952 0.319 1.00 0.00 C ATOM 1598 NZ LYS A 122 5.523 16.222 -1.029 1.00 0.00 N ATOM 0 H LYS A 122 2.280 11.886 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 122 4.615 11.459 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.911 12.900 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.693 13.785 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.303 14.047 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.042 12.711 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.077 14.444 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.231 14.240 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.881 16.148 0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.393 16.638 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.721 17.238 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.406 15.685 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.841 15.932 -1.759 1.00 0.00 H new ATOM 1612 N VAL A 123 5.788 10.045 -0.893 1.00 0.00 N ATOM 1613 CA VAL A 123 6.263 8.971 -0.030 1.00 0.00 C ATOM 1614 C VAL A 123 7.785 8.981 0.073 1.00 0.00 C ATOM 1615 O VAL A 123 8.480 9.259 -0.903 1.00 0.00 O ATOM 1616 CB VAL A 123 5.804 7.593 -0.544 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.375 6.482 0.324 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.285 7.520 -0.587 1.00 0.00 C ATOM 0 H VAL A 123 6.447 10.325 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 123 5.833 9.144 0.957 1.00 0.00 H new ATOM 0 HB VAL A 123 6.180 7.459 -1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.040 5.516 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.464 6.524 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.031 6.609 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.978 6.540 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 123 3.885 7.675 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.902 8.292 -1.254 1.00 0.00 H new ATOM 1628 N GLN A 124 8.293 8.675 1.263 1.00 0.00 N ATOM 1629 CA GLN A 124 9.732 8.650 1.494 1.00 0.00 C ATOM 1630 C GLN A 124 10.391 7.526 0.700 1.00 0.00 C ATOM 1631 O GLN A 124 10.754 6.490 1.256 1.00 0.00 O ATOM 1632 CB GLN A 124 10.029 8.478 2.984 1.00 0.00 C ATOM 1633 CG GLN A 124 9.286 7.315 3.622 1.00 0.00 C ATOM 1634 CD GLN A 124 9.925 6.855 4.918 1.00 0.00 C ATOM 1635 OE1 GLN A 124 10.899 7.445 5.386 1.00 0.00 O ATOM 1636 NE2 GLN A 124 9.379 5.796 5.504 1.00 0.00 N ATOM 0 H GLN A 124 7.730 8.441 2.081 1.00 0.00 H new ATOM 0 HA GLN A 124 10.145 9.601 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.101 8.331 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 124 9.766 9.397 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.254 7.610 3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.254 6.481 2.921 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.572 5.338 5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.767 5.440 6.378 1.00 0.00 H new ATOM 1645 N TRP A 125 10.542 7.739 -0.602 1.00 0.00 N ATOM 1646 CA TRP A 125 11.157 6.743 -1.474 1.00 0.00 C ATOM 1647 C TRP A 125 12.657 6.649 -1.218 1.00 0.00 C ATOM 1648 O TRP A 125 13.254 7.554 -0.635 1.00 0.00 O ATOM 1649 CB TRP A 125 10.896 7.088 -2.940 1.00 0.00 C ATOM 1650 CG TRP A 125 9.442 7.088 -3.301 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.642 8.181 -3.476 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.615 5.942 -3.530 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.367 7.783 -3.799 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.325 6.414 -3.839 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.840 4.563 -3.505 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.266 5.555 -4.120 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.787 3.712 -3.783 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.514 4.209 -4.088 1.00 0.00 C ATOM 0 H TRP A 125 10.247 8.592 -1.078 1.00 0.00 H new ATOM 0 HA TRP A 125 10.709 5.775 -1.252 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.316 8.071 -3.155 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.420 6.372 -3.573 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.964 9.207 -3.375 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.580 8.406 -3.980 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.819 4.170 -3.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.284 5.937 -4.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.949 2.644 -3.765 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.713 3.517 -4.302 1.00 0.00 H new ATOM 1669 N SER A 126 13.261 5.551 -1.660 1.00 0.00 N ATOM 1670 CA SER A 126 14.692 5.338 -1.475 1.00 0.00 C ATOM 1671 C SER A 126 15.474 5.833 -2.688 1.00 0.00 C ATOM 1672 O SER A 126 16.394 5.168 -3.162 1.00 0.00 O ATOM 1673 CB SER A 126 14.982 3.855 -1.238 1.00 0.00 C ATOM 1674 OG SER A 126 14.793 3.102 -2.423 1.00 0.00 O ATOM 0 H SER A 126 12.782 4.795 -2.149 1.00 0.00 H new ATOM 0 HA SER A 126 15.010 5.907 -0.601 1.00 0.00 H new ATOM 0 HB2 SER A 126 16.006 3.733 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 126 14.328 3.474 -0.453 1.00 0.00 H new ATOM 0 HG SER A 126 15.400 3.429 -3.119 1.00 0.00 H new ATOM 1680 N GLY A 127 15.102 7.009 -3.186 1.00 0.00 N ATOM 1681 CA GLY A 127 15.778 7.574 -4.338 1.00 0.00 C ATOM 1682 C GLY A 127 15.802 9.090 -4.310 1.00 0.00 C ATOM 1683 O GLY A 127 14.879 9.738 -3.817 1.00 0.00 O ATOM 0 H GLY A 127 14.344 7.580 -2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 127 16.800 7.198 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 127 15.281 7.238 -5.248 1.00 0.00 H new ATOM 1687 N PRO A 128 16.880 9.678 -4.850 1.00 0.00 N ATOM 1688 CA PRO A 128 17.048 11.134 -4.896 1.00 0.00 C ATOM 1689 C PRO A 128 16.078 11.798 -5.867 1.00 0.00 C ATOM 1690 O PRO A 128 16.222 11.677 -7.084 1.00 0.00 O ATOM 1691 CB PRO A 128 18.490 11.310 -5.376 1.00 0.00 C ATOM 1692 CG PRO A 128 18.791 10.065 -6.136 1.00 0.00 C ATOM 1693 CD PRO A 128 18.019 8.968 -5.457 1.00 0.00 C ATOM 0 HA PRO A 128 16.847 11.599 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 128 18.592 12.193 -6.007 1.00 0.00 H new ATOM 0 HB3 PRO A 128 19.174 11.437 -4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 128 18.493 10.163 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 128 19.860 9.852 -6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 128 17.688 8.210 -6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 128 18.622 8.458 -4.705 1.00 0.00 H new ATOM 1701 N SER A 129 15.090 12.502 -5.323 1.00 0.00 N ATOM 1702 CA SER A 129 14.093 13.182 -6.142 1.00 0.00 C ATOM 1703 C SER A 129 14.746 14.253 -7.011 1.00 0.00 C ATOM 1704 O SER A 129 15.109 15.325 -6.527 1.00 0.00 O ATOM 1705 CB SER A 129 13.018 13.814 -5.255 1.00 0.00 C ATOM 1706 OG SER A 129 13.587 14.747 -4.351 1.00 0.00 O ATOM 0 H SER A 129 14.959 12.616 -4.318 1.00 0.00 H new ATOM 0 HA SER A 129 13.627 12.443 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 129 12.275 14.313 -5.878 1.00 0.00 H new ATOM 0 HB3 SER A 129 12.497 13.035 -4.699 1.00 0.00 H new ATOM 0 HG SER A 129 14.308 15.238 -4.798 1.00 0.00 H new ATOM 1712 N SER A 130 14.892 13.954 -8.298 1.00 0.00 N ATOM 1713 CA SER A 130 15.504 14.887 -9.236 1.00 0.00 C ATOM 1714 C SER A 130 14.613 16.108 -9.446 1.00 0.00 C ATOM 1715 O SER A 130 13.422 15.981 -9.728 1.00 0.00 O ATOM 1716 CB SER A 130 15.767 14.199 -10.576 1.00 0.00 C ATOM 1717 OG SER A 130 16.332 15.101 -11.511 1.00 0.00 O ATOM 0 H SER A 130 14.594 13.072 -8.715 1.00 0.00 H new ATOM 0 HA SER A 130 16.453 15.218 -8.813 1.00 0.00 H new ATOM 0 HB2 SER A 130 16.440 13.354 -10.429 1.00 0.00 H new ATOM 0 HB3 SER A 130 14.834 13.798 -10.971 1.00 0.00 H new ATOM 0 HG SER A 130 16.492 14.636 -12.359 1.00 0.00 H new ATOM 1723 N GLY A 131 15.200 17.293 -9.304 1.00 0.00 N ATOM 1724 CA GLY A 131 14.446 18.521 -9.481 1.00 0.00 C ATOM 1725 C GLY A 131 13.992 19.118 -8.163 1.00 0.00 C ATOM 1726 O GLY A 131 13.317 20.146 -8.140 1.00 0.00 O ATOM 0 H GLY A 131 16.184 17.424 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 131 15.060 19.247 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 131 13.575 18.322 -10.105 1.00 0.00 H new TER 1730 GLY A 131