USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 878 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 96 THR OG1 : rot 180:sc= 0.419 USER MOD Set 1.2: A 99 SER OG : rot -78:sc= 0.452 USER MOD Set 2.1: A 52 SER OG : rot 87:sc= 1.29 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 1.02 K(o=2.3,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0761 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.906 K(o=-0.91,f=-1.7) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.0232 (180deg=-0.212) USER MOD Single : A 14 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.27) USER MOD Single : A 16 GLN : amide:sc= 0.488 K(o=0.49,f=-1.6) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.35) USER MOD Single : A 34 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 120:sc= -0.062 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.671) USER MOD Single : A 47 GLN : amide:sc= -1.46! C(o=-1.5!,f=-3.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0021 K(o=-0.0021,f=-0.85) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.23) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.277 USER MOD Single : A 87 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.15) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -90:sc= 1.21 USER MOD Single : A 92 GLN : amide:sc= 1.55 K(o=1.5,f=-0.13) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 97 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.493) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.994 -5.743 6.732 1.00 0.00 N ATOM 2 CA GLY A 1 21.946 -4.744 6.495 1.00 0.00 C ATOM 3 C GLY A 1 22.464 -3.369 6.868 1.00 0.00 C ATOM 4 O GLY A 1 23.301 -3.248 7.764 1.00 0.00 O ATOM 0 H1 GLY A 1 22.604 -6.530 7.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.343 -6.103 5.821 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.779 -5.305 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.645 -4.759 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.061 -4.983 7.085 1.00 0.00 H new ATOM 8 N SER A 2 21.959 -2.323 6.216 1.00 0.00 N ATOM 9 CA SER A 2 22.366 -0.949 6.455 1.00 0.00 C ATOM 10 C SER A 2 21.171 0.007 6.382 1.00 0.00 C ATOM 11 O SER A 2 20.938 0.664 5.367 1.00 0.00 O ATOM 12 CB SER A 2 23.523 -0.584 5.510 1.00 0.00 C ATOM 13 OG SER A 2 23.537 -1.335 4.302 1.00 0.00 O ATOM 0 H SER A 2 21.243 -2.414 5.495 1.00 0.00 H new ATOM 0 HA SER A 2 22.745 -0.845 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.460 0.477 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.468 -0.736 6.032 1.00 0.00 H new ATOM 0 HG SER A 2 24.295 -1.051 3.749 1.00 0.00 H new ATOM 19 N SER A 3 20.403 0.084 7.467 1.00 0.00 N ATOM 20 CA SER A 3 19.240 0.949 7.623 1.00 0.00 C ATOM 21 C SER A 3 19.194 1.401 9.092 1.00 0.00 C ATOM 22 O SER A 3 20.125 1.103 9.849 1.00 0.00 O ATOM 23 CB SER A 3 17.967 0.234 7.154 1.00 0.00 C ATOM 24 OG SER A 3 16.991 1.199 6.823 1.00 0.00 O ATOM 0 H SER A 3 20.584 -0.481 8.297 1.00 0.00 H new ATOM 0 HA SER A 3 19.312 1.836 6.994 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.185 -0.393 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.594 -0.424 7.939 1.00 0.00 H new ATOM 0 HG SER A 3 16.175 0.748 6.521 1.00 0.00 H new ATOM 30 N GLY A 4 18.185 2.166 9.512 1.00 0.00 N ATOM 31 CA GLY A 4 18.091 2.636 10.891 1.00 0.00 C ATOM 32 C GLY A 4 17.009 3.694 11.056 1.00 0.00 C ATOM 33 O GLY A 4 15.942 3.596 10.437 1.00 0.00 O ATOM 0 H GLY A 4 17.419 2.473 8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.878 1.793 11.548 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.052 3.047 11.201 1.00 0.00 H new ATOM 37 N SER A 5 17.265 4.668 11.931 1.00 0.00 N ATOM 38 CA SER A 5 16.400 5.792 12.266 1.00 0.00 C ATOM 39 C SER A 5 16.352 6.746 11.068 1.00 0.00 C ATOM 40 O SER A 5 17.174 7.658 10.957 1.00 0.00 O ATOM 41 CB SER A 5 16.931 6.475 13.538 1.00 0.00 C ATOM 42 OG SER A 5 17.443 5.526 14.464 1.00 0.00 O ATOM 0 H SER A 5 18.139 4.691 12.456 1.00 0.00 H new ATOM 0 HA SER A 5 15.382 5.461 12.473 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.715 7.184 13.271 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.130 7.047 14.007 1.00 0.00 H new ATOM 0 HG SER A 5 17.774 5.992 15.260 1.00 0.00 H new ATOM 48 N SER A 6 15.424 6.515 10.141 1.00 0.00 N ATOM 49 CA SER A 6 15.256 7.319 8.941 1.00 0.00 C ATOM 50 C SER A 6 13.759 7.464 8.639 1.00 0.00 C ATOM 51 O SER A 6 12.953 6.610 9.026 1.00 0.00 O ATOM 52 CB SER A 6 16.022 6.645 7.793 1.00 0.00 C ATOM 53 OG SER A 6 17.386 6.403 8.126 1.00 0.00 O ATOM 0 H SER A 6 14.756 5.747 10.208 1.00 0.00 H new ATOM 0 HA SER A 6 15.660 8.322 9.074 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.538 5.701 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.973 7.276 6.906 1.00 0.00 H new ATOM 0 HG SER A 6 17.836 5.972 7.369 1.00 0.00 H new ATOM 59 N GLY A 7 13.384 8.539 7.949 1.00 0.00 N ATOM 60 CA GLY A 7 12.018 8.866 7.578 1.00 0.00 C ATOM 61 C GLY A 7 11.680 8.183 6.272 1.00 0.00 C ATOM 62 O GLY A 7 11.767 8.778 5.200 1.00 0.00 O ATOM 0 H GLY A 7 14.056 9.233 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.329 8.544 8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.904 9.945 7.478 1.00 0.00 H new ATOM 66 N GLU A 8 11.381 6.889 6.355 1.00 0.00 N ATOM 67 CA GLU A 8 11.013 6.029 5.232 1.00 0.00 C ATOM 68 C GLU A 8 9.881 6.644 4.409 1.00 0.00 C ATOM 69 O GLU A 8 9.883 6.544 3.188 1.00 0.00 O ATOM 70 CB GLU A 8 10.683 4.624 5.750 1.00 0.00 C ATOM 71 CG GLU A 8 9.712 4.563 6.945 1.00 0.00 C ATOM 72 CD GLU A 8 9.723 3.202 7.649 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.825 2.716 8.000 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.614 2.679 7.933 1.00 0.00 O ATOM 0 H GLU A 8 11.389 6.389 7.244 1.00 0.00 H new ATOM 0 HA GLU A 8 11.859 5.940 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.258 4.045 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.614 4.135 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.976 5.340 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.702 4.779 6.598 1.00 0.00 H new ATOM 81 N VAL A 9 8.971 7.368 5.052 1.00 0.00 N ATOM 82 CA VAL A 9 7.836 8.037 4.425 1.00 0.00 C ATOM 83 C VAL A 9 8.309 9.033 3.355 1.00 0.00 C ATOM 84 O VAL A 9 7.626 9.227 2.345 1.00 0.00 O ATOM 85 CB VAL A 9 7.018 8.707 5.546 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.822 9.525 5.047 1.00 0.00 C ATOM 87 CG2 VAL A 9 6.533 7.654 6.541 1.00 0.00 C ATOM 0 H VAL A 9 9.005 7.510 6.061 1.00 0.00 H new ATOM 0 HA VAL A 9 7.202 7.323 3.899 1.00 0.00 H new ATOM 0 HB VAL A 9 7.696 9.413 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.300 9.963 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.174 10.320 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.140 8.875 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.956 8.137 7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.905 6.928 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.391 7.145 6.979 1.00 0.00 H new ATOM 97 N GLN A 10 9.487 9.641 3.531 1.00 0.00 N ATOM 98 CA GLN A 10 10.051 10.606 2.598 1.00 0.00 C ATOM 99 C GLN A 10 10.756 9.936 1.417 1.00 0.00 C ATOM 100 O GLN A 10 11.110 10.631 0.462 1.00 0.00 O ATOM 101 CB GLN A 10 11.008 11.565 3.325 1.00 0.00 C ATOM 102 CG GLN A 10 10.261 12.537 4.248 1.00 0.00 C ATOM 103 CD GLN A 10 9.912 11.959 5.605 1.00 0.00 C ATOM 104 OE1 GLN A 10 8.826 11.441 5.792 1.00 0.00 O ATOM 105 NE2 GLN A 10 10.798 12.057 6.574 1.00 0.00 N ATOM 0 H GLN A 10 10.081 9.469 4.342 1.00 0.00 H new ATOM 0 HA GLN A 10 9.218 11.177 2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.724 10.988 3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.580 12.131 2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.873 13.428 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.343 12.857 3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.702 12.495 6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.580 11.695 7.503 1.00 0.00 H new ATOM 114 N LYS A 11 10.997 8.623 1.456 1.00 0.00 N ATOM 115 CA LYS A 11 11.651 7.922 0.355 1.00 0.00 C ATOM 116 C LYS A 11 10.682 7.831 -0.827 1.00 0.00 C ATOM 117 O LYS A 11 9.459 7.880 -0.627 1.00 0.00 O ATOM 118 CB LYS A 11 12.068 6.504 0.798 1.00 0.00 C ATOM 119 CG LYS A 11 13.164 6.484 1.871 1.00 0.00 C ATOM 120 CD LYS A 11 14.541 6.815 1.275 1.00 0.00 C ATOM 121 CE LYS A 11 15.605 7.014 2.355 1.00 0.00 C ATOM 122 NZ LYS A 11 15.336 8.202 3.189 1.00 0.00 N ATOM 0 H LYS A 11 10.747 8.024 2.243 1.00 0.00 H new ATOM 0 HA LYS A 11 12.545 8.471 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.191 5.981 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.416 5.950 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.922 7.204 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.197 5.501 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.849 6.010 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.466 7.719 0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.647 6.129 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.583 7.116 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.190 8.447 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.071 9.002 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.557 7.995 3.847 1.00 0.00 H new ATOM 136 N PRO A 12 11.189 7.724 -2.065 1.00 0.00 N ATOM 137 CA PRO A 12 10.324 7.592 -3.226 1.00 0.00 C ATOM 138 C PRO A 12 9.658 6.216 -3.134 1.00 0.00 C ATOM 139 O PRO A 12 10.178 5.318 -2.468 1.00 0.00 O ATOM 140 CB PRO A 12 11.249 7.736 -4.432 1.00 0.00 C ATOM 141 CG PRO A 12 12.586 7.220 -3.913 1.00 0.00 C ATOM 142 CD PRO A 12 12.592 7.662 -2.455 1.00 0.00 C ATOM 0 HA PRO A 12 9.528 8.333 -3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.895 7.152 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.319 8.772 -4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.662 6.137 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.423 7.646 -4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.142 6.956 -1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.075 8.632 -2.340 1.00 0.00 H new ATOM 150 N LEU A 13 8.529 6.016 -3.819 1.00 0.00 N ATOM 151 CA LEU A 13 7.825 4.732 -3.769 1.00 0.00 C ATOM 152 C LEU A 13 8.732 3.548 -4.134 1.00 0.00 C ATOM 153 O LEU A 13 8.600 2.494 -3.523 1.00 0.00 O ATOM 154 CB LEU A 13 6.536 4.790 -4.608 1.00 0.00 C ATOM 155 CG LEU A 13 5.914 3.420 -4.981 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.416 3.591 -5.235 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.523 2.880 -6.282 1.00 0.00 C ATOM 0 H LEU A 13 8.086 6.720 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 13 7.529 4.551 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.793 5.368 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.748 5.335 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 13 6.108 2.734 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.979 2.627 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.936 3.974 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.264 4.293 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.071 1.918 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.333 3.584 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.598 2.754 -6.156 1.00 0.00 H new ATOM 169 N HIS A 14 9.670 3.712 -5.072 1.00 0.00 N ATOM 170 CA HIS A 14 10.561 2.626 -5.486 1.00 0.00 C ATOM 171 C HIS A 14 11.513 2.132 -4.382 1.00 0.00 C ATOM 172 O HIS A 14 12.125 1.077 -4.545 1.00 0.00 O ATOM 173 CB HIS A 14 11.337 3.040 -6.747 1.00 0.00 C ATOM 174 CG HIS A 14 12.212 4.264 -6.650 1.00 0.00 C ATOM 175 ND1 HIS A 14 11.969 5.473 -7.263 1.00 0.00 N ATOM 176 CD2 HIS A 14 13.476 4.311 -6.124 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.059 6.239 -7.094 1.00 0.00 C ATOM 178 NE2 HIS A 14 13.999 5.584 -6.390 1.00 0.00 N ATOM 0 H HIS A 14 9.832 4.592 -5.561 1.00 0.00 H new ATOM 0 HA HIS A 14 9.923 1.771 -5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.964 2.201 -7.048 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.616 3.203 -7.548 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.979 3.512 -5.599 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.166 7.245 -7.472 1.00 0.00 H new ATOM 0 HE2 HIS A 14 14.911 5.942 -6.106 1.00 0.00 H new ATOM 186 N GLU A 15 11.673 2.867 -3.280 1.00 0.00 N ATOM 187 CA GLU A 15 12.555 2.532 -2.159 1.00 0.00 C ATOM 188 C GLU A 15 11.745 2.015 -0.973 1.00 0.00 C ATOM 189 O GLU A 15 12.300 1.676 0.074 1.00 0.00 O ATOM 190 CB GLU A 15 13.305 3.813 -1.753 1.00 0.00 C ATOM 191 CG GLU A 15 14.561 4.066 -2.588 1.00 0.00 C ATOM 192 CD GLU A 15 15.821 3.741 -1.788 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.131 2.545 -1.592 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.505 4.695 -1.358 1.00 0.00 O ATOM 0 H GLU A 15 11.173 3.745 -3.138 1.00 0.00 H new ATOM 0 HA GLU A 15 13.253 1.750 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.633 4.666 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.583 3.746 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.531 3.456 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.587 5.108 -2.907 1.00 0.00 H new ATOM 201 N GLN A 16 10.421 1.979 -1.106 1.00 0.00 N ATOM 202 CA GLN A 16 9.576 1.526 -0.034 1.00 0.00 C ATOM 203 C GLN A 16 9.680 0.026 0.157 1.00 0.00 C ATOM 204 O GLN A 16 9.688 -0.729 -0.820 1.00 0.00 O ATOM 205 CB GLN A 16 8.134 1.969 -0.279 1.00 0.00 C ATOM 206 CG GLN A 16 7.988 3.494 -0.270 1.00 0.00 C ATOM 207 CD GLN A 16 8.381 4.160 1.047 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.608 3.531 2.080 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.492 5.470 1.032 1.00 0.00 N ATOM 0 H GLN A 16 9.922 2.261 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 16 9.918 1.984 0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.794 1.579 -1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.488 1.539 0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.601 3.910 -1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.953 3.749 -0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.303 5.988 0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.767 5.968 1.878 1.00 0.00 H new ATOM 218 N LEU A 17 9.682 -0.385 1.426 1.00 0.00 N ATOM 219 CA LEU A 17 9.757 -1.779 1.837 1.00 0.00 C ATOM 220 C LEU A 17 8.587 -2.585 1.286 1.00 0.00 C ATOM 221 O LEU A 17 8.732 -3.789 1.133 1.00 0.00 O ATOM 222 CB LEU A 17 9.827 -1.921 3.373 1.00 0.00 C ATOM 223 CG LEU A 17 8.525 -1.668 4.169 1.00 0.00 C ATOM 224 CD1 LEU A 17 8.684 -2.154 5.611 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.131 -0.185 4.211 1.00 0.00 C ATOM 0 H LEU A 17 9.630 0.262 2.213 1.00 0.00 H new ATOM 0 HA LEU A 17 10.680 -2.181 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.173 -2.929 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.587 -1.232 3.741 1.00 0.00 H new ATOM 0 HG LEU A 17 7.741 -2.220 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.761 -1.970 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.901 -3.222 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.503 -1.616 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.210 -0.069 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.927 0.390 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.976 0.179 3.195 1.00 0.00 H new ATOM 237 N TRP A 18 7.458 -1.940 0.972 1.00 0.00 N ATOM 238 CA TRP A 18 6.246 -2.556 0.440 1.00 0.00 C ATOM 239 C TRP A 18 6.156 -2.525 -1.089 1.00 0.00 C ATOM 240 O TRP A 18 5.133 -2.933 -1.651 1.00 0.00 O ATOM 241 CB TRP A 18 5.034 -1.910 1.113 1.00 0.00 C ATOM 242 CG TRP A 18 5.033 -0.414 1.290 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.221 0.242 2.461 1.00 0.00 C ATOM 244 CD2 TRP A 18 4.794 0.628 0.296 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.095 1.600 2.270 1.00 0.00 N ATOM 246 CE2 TRP A 18 4.762 1.878 0.972 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.590 0.670 -1.102 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.470 3.075 0.328 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.346 1.889 -1.769 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.260 3.093 -1.053 1.00 0.00 C ATOM 0 H TRP A 18 7.364 -0.931 1.088 1.00 0.00 H new ATOM 0 HA TRP A 18 6.272 -3.619 0.678 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.150 -2.178 0.535 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.920 -2.362 2.098 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.438 -0.232 3.407 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.231 2.303 2.997 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.621 -0.248 -1.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.405 3.991 0.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.224 1.896 -2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.035 4.019 -1.562 1.00 0.00 H new ATOM 261 N TYR A 19 7.162 -1.972 -1.771 1.00 0.00 N ATOM 262 CA TYR A 19 7.205 -1.914 -3.215 1.00 0.00 C ATOM 263 C TYR A 19 7.875 -3.194 -3.712 1.00 0.00 C ATOM 264 O TYR A 19 9.101 -3.290 -3.762 1.00 0.00 O ATOM 265 CB TYR A 19 7.930 -0.649 -3.665 1.00 0.00 C ATOM 266 CG TYR A 19 7.931 -0.533 -5.168 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.706 -0.366 -5.826 1.00 0.00 C ATOM 268 CD2 TYR A 19 9.112 -0.683 -5.913 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.649 -0.317 -7.223 1.00 0.00 C ATOM 270 CE2 TYR A 19 9.068 -0.619 -7.315 1.00 0.00 C ATOM 271 CZ TYR A 19 7.833 -0.438 -7.980 1.00 0.00 C ATOM 272 OH TYR A 19 7.731 -0.418 -9.334 1.00 0.00 O ATOM 0 H TYR A 19 7.974 -1.550 -1.321 1.00 0.00 H new ATOM 0 HA TYR A 19 6.204 -1.859 -3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.447 0.226 -3.229 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.956 -0.663 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.797 -0.274 -5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.053 -0.847 -5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.700 -0.187 -7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.980 -0.708 -7.887 1.00 0.00 H new ATOM 0 HH TYR A 19 8.623 -0.509 -9.731 1.00 0.00 H new ATOM 282 N HIS A 20 7.065 -4.190 -4.074 1.00 0.00 N ATOM 283 CA HIS A 20 7.566 -5.491 -4.545 1.00 0.00 C ATOM 284 C HIS A 20 7.881 -5.520 -6.046 1.00 0.00 C ATOM 285 O HIS A 20 8.491 -6.479 -6.520 1.00 0.00 O ATOM 286 CB HIS A 20 6.546 -6.601 -4.244 1.00 0.00 C ATOM 287 CG HIS A 20 6.498 -7.039 -2.804 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.174 -8.110 -2.255 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.834 -6.409 -1.788 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.921 -8.119 -0.935 1.00 0.00 C ATOM 291 NE2 HIS A 20 6.124 -7.089 -0.605 1.00 0.00 N ATOM 0 H HIS A 20 6.047 -4.123 -4.051 1.00 0.00 H new ATOM 0 HA HIS A 20 8.498 -5.658 -4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.555 -6.254 -4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.777 -7.466 -4.865 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.199 -5.541 -1.884 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.304 -8.850 -0.239 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.794 -6.850 0.330 1.00 0.00 H new ATOM 299 N GLY A 21 7.473 -4.504 -6.807 1.00 0.00 N ATOM 300 CA GLY A 21 7.685 -4.408 -8.247 1.00 0.00 C ATOM 301 C GLY A 21 6.368 -4.569 -9.007 1.00 0.00 C ATOM 302 O GLY A 21 5.290 -4.292 -8.472 1.00 0.00 O ATOM 0 H GLY A 21 6.971 -3.703 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.133 -3.444 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.389 -5.176 -8.566 1.00 0.00 H new ATOM 306 N ALA A 22 6.425 -4.964 -10.277 1.00 0.00 N ATOM 307 CA ALA A 22 5.265 -5.180 -11.146 1.00 0.00 C ATOM 308 C ALA A 22 4.692 -6.599 -10.982 1.00 0.00 C ATOM 309 O ALA A 22 4.025 -7.106 -11.890 1.00 0.00 O ATOM 310 CB ALA A 22 5.680 -4.907 -12.600 1.00 0.00 C ATOM 0 H ALA A 22 7.310 -5.150 -10.748 1.00 0.00 H new ATOM 0 HA ALA A 22 4.470 -4.491 -10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.825 -5.064 -13.258 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.025 -3.877 -12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.485 -5.586 -12.882 1.00 0.00 H new ATOM 316 N ILE A 23 4.952 -7.256 -9.849 1.00 0.00 N ATOM 317 CA ILE A 23 4.519 -8.614 -9.537 1.00 0.00 C ATOM 318 C ILE A 23 3.024 -8.892 -9.810 1.00 0.00 C ATOM 319 O ILE A 23 2.155 -8.065 -9.497 1.00 0.00 O ATOM 320 CB ILE A 23 4.902 -8.994 -8.090 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.274 -8.060 -7.029 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.434 -9.038 -7.937 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.191 -8.720 -5.653 1.00 0.00 C ATOM 0 H ILE A 23 5.493 -6.835 -9.094 1.00 0.00 H new ATOM 0 HA ILE A 23 5.058 -9.257 -10.233 1.00 0.00 H new ATOM 0 HB ILE A 23 4.490 -9.987 -7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.865 -7.147 -6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.274 -7.768 -7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.690 -9.307 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.847 -9.780 -8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.851 -8.058 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.743 -8.025 -4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.578 -9.619 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.193 -8.987 -5.317 1.00 0.00 H new ATOM 335 N PRO A 24 2.698 -10.063 -10.385 1.00 0.00 N ATOM 336 CA PRO A 24 1.329 -10.451 -10.670 1.00 0.00 C ATOM 337 C PRO A 24 0.653 -10.926 -9.377 1.00 0.00 C ATOM 338 O PRO A 24 1.301 -11.192 -8.362 1.00 0.00 O ATOM 339 CB PRO A 24 1.449 -11.572 -11.699 1.00 0.00 C ATOM 340 CG PRO A 24 2.741 -12.274 -11.295 1.00 0.00 C ATOM 341 CD PRO A 24 3.610 -11.118 -10.808 1.00 0.00 C ATOM 0 HA PRO A 24 0.718 -9.634 -11.054 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.594 -12.247 -11.661 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.503 -11.182 -12.716 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.573 -13.013 -10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.197 -12.798 -12.135 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.248 -11.433 -9.982 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.268 -10.766 -11.602 1.00 0.00 H new ATOM 349 N ARG A 25 -0.671 -11.084 -9.416 1.00 0.00 N ATOM 350 CA ARG A 25 -1.459 -11.519 -8.259 1.00 0.00 C ATOM 351 C ARG A 25 -1.057 -12.882 -7.687 1.00 0.00 C ATOM 352 O ARG A 25 -1.342 -13.128 -6.514 1.00 0.00 O ATOM 353 CB ARG A 25 -2.954 -11.490 -8.605 1.00 0.00 C ATOM 354 CG ARG A 25 -3.293 -12.458 -9.747 1.00 0.00 C ATOM 355 CD ARG A 25 -4.791 -12.523 -10.025 1.00 0.00 C ATOM 356 NE ARG A 25 -5.060 -13.450 -11.134 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.182 -14.142 -11.332 1.00 0.00 C ATOM 358 NH1 ARG A 25 -7.217 -13.991 -10.510 1.00 0.00 N ATOM 359 NH2 ARG A 25 -6.267 -14.985 -12.351 1.00 0.00 N ATOM 0 H ARG A 25 -1.230 -10.914 -10.252 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.243 -10.806 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.537 -11.751 -7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.242 -10.478 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.771 -12.146 -10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.929 -13.454 -9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.321 -12.851 -9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.166 -11.530 -10.272 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.315 -13.576 -11.819 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.154 -13.344 -9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.074 -14.523 -10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.475 -15.104 -12.982 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.125 -15.515 -12.504 1.00 0.00 H new ATOM 373 N ALA A 26 -0.421 -13.754 -8.474 1.00 0.00 N ATOM 374 CA ALA A 26 0.001 -15.064 -7.999 1.00 0.00 C ATOM 375 C ALA A 26 1.032 -14.926 -6.875 1.00 0.00 C ATOM 376 O ALA A 26 1.006 -15.698 -5.921 1.00 0.00 O ATOM 377 CB ALA A 26 0.591 -15.861 -9.165 1.00 0.00 C ATOM 0 H ALA A 26 -0.188 -13.569 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.865 -15.592 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.908 -16.842 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.164 -15.981 -9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.450 -15.328 -9.573 1.00 0.00 H new ATOM 383 N GLU A 27 1.928 -13.942 -6.969 1.00 0.00 N ATOM 384 CA GLU A 27 2.964 -13.727 -5.963 1.00 0.00 C ATOM 385 C GLU A 27 2.354 -13.121 -4.701 1.00 0.00 C ATOM 386 O GLU A 27 2.661 -13.533 -3.587 1.00 0.00 O ATOM 387 CB GLU A 27 4.026 -12.760 -6.509 1.00 0.00 C ATOM 388 CG GLU A 27 4.661 -13.180 -7.838 1.00 0.00 C ATOM 389 CD GLU A 27 5.420 -14.502 -7.766 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.617 -14.478 -7.393 1.00 0.00 O ATOM 391 OE2 GLU A 27 4.870 -15.545 -8.195 1.00 0.00 O ATOM 0 H GLU A 27 1.954 -13.276 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 27 3.421 -14.688 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.571 -11.778 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.815 -12.652 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.880 -13.261 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.344 -12.397 -8.167 1.00 0.00 H new ATOM 398 N VAL A 28 1.467 -12.142 -4.896 1.00 0.00 N ATOM 399 CA VAL A 28 0.756 -11.390 -3.869 1.00 0.00 C ATOM 400 C VAL A 28 0.045 -12.313 -2.881 1.00 0.00 C ATOM 401 O VAL A 28 0.036 -12.015 -1.688 1.00 0.00 O ATOM 402 CB VAL A 28 -0.234 -10.448 -4.574 1.00 0.00 C ATOM 403 CG1 VAL A 28 -1.101 -9.616 -3.626 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.470 -9.480 -5.533 1.00 0.00 C ATOM 0 H VAL A 28 1.213 -11.837 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 28 1.466 -10.810 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.884 -11.129 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.769 -8.981 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.690 -10.281 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.462 -8.993 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.270 -8.835 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.181 -8.869 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.000 -10.047 -6.298 1.00 0.00 H new ATOM 414 N ALA A 29 -0.545 -13.413 -3.364 1.00 0.00 N ATOM 415 CA ALA A 29 -1.246 -14.361 -2.508 1.00 0.00 C ATOM 416 C ALA A 29 -0.345 -14.954 -1.420 1.00 0.00 C ATOM 417 O ALA A 29 -0.863 -15.355 -0.381 1.00 0.00 O ATOM 418 CB ALA A 29 -1.799 -15.508 -3.359 1.00 0.00 C ATOM 0 H ALA A 29 -0.547 -13.664 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.049 -13.811 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.323 -16.217 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.491 -15.110 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.977 -16.015 -3.864 1.00 0.00 H new ATOM 424 N GLU A 30 0.971 -14.993 -1.647 1.00 0.00 N ATOM 425 CA GLU A 30 1.945 -15.541 -0.714 1.00 0.00 C ATOM 426 C GLU A 30 2.660 -14.441 0.092 1.00 0.00 C ATOM 427 O GLU A 30 3.479 -14.748 0.963 1.00 0.00 O ATOM 428 CB GLU A 30 2.963 -16.397 -1.489 1.00 0.00 C ATOM 429 CG GLU A 30 2.356 -17.389 -2.502 1.00 0.00 C ATOM 430 CD GLU A 30 1.237 -18.280 -1.946 1.00 0.00 C ATOM 431 OE1 GLU A 30 1.314 -18.737 -0.783 1.00 0.00 O ATOM 432 OE2 GLU A 30 0.299 -18.599 -2.712 1.00 0.00 O ATOM 0 H GLU A 30 1.392 -14.636 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 30 1.414 -16.162 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.643 -15.731 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.562 -16.957 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.964 -16.826 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.152 -18.028 -2.884 1.00 0.00 H new ATOM 439 N LEU A 31 2.416 -13.158 -0.210 1.00 0.00 N ATOM 440 CA LEU A 31 3.025 -12.033 0.489 1.00 0.00 C ATOM 441 C LEU A 31 2.205 -11.654 1.712 1.00 0.00 C ATOM 442 O LEU A 31 2.774 -11.249 2.722 1.00 0.00 O ATOM 443 CB LEU A 31 3.109 -10.814 -0.442 1.00 0.00 C ATOM 444 CG LEU A 31 4.100 -10.985 -1.600 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.139 -9.694 -2.410 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.506 -11.334 -1.114 1.00 0.00 C ATOM 0 H LEU A 31 1.781 -12.876 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 31 4.025 -12.334 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.119 -10.612 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.396 -9.941 0.144 1.00 0.00 H new ATOM 0 HG LEU A 31 3.759 -11.816 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.841 -9.804 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.145 -9.481 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.459 -8.872 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.170 -11.445 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.876 -10.537 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.476 -12.269 -0.555 1.00 0.00 H new ATOM 458 N LEU A 32 0.880 -11.721 1.618 1.00 0.00 N ATOM 459 CA LEU A 32 0.004 -11.378 2.727 1.00 0.00 C ATOM 460 C LEU A 32 -0.262 -12.655 3.508 1.00 0.00 C ATOM 461 O LEU A 32 -0.654 -13.650 2.898 1.00 0.00 O ATOM 462 CB LEU A 32 -1.315 -10.819 2.200 1.00 0.00 C ATOM 463 CG LEU A 32 -1.166 -9.625 1.231 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.082 -9.791 0.014 1.00 0.00 C ATOM 465 CD2 LEU A 32 -1.475 -8.310 1.902 1.00 0.00 C ATOM 0 H LEU A 32 0.388 -12.014 0.774 1.00 0.00 H new ATOM 0 HA LEU A 32 0.469 -10.622 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.856 -11.617 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.927 -10.509 3.047 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.125 -9.614 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.959 -8.938 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.820 -10.707 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.119 -9.847 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.357 -7.499 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.500 -8.322 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.791 -8.158 2.737 1.00 0.00 H new ATOM 477 N VAL A 33 -0.124 -12.630 4.833 1.00 0.00 N ATOM 478 CA VAL A 33 -0.343 -13.812 5.665 1.00 0.00 C ATOM 479 C VAL A 33 -1.378 -13.534 6.757 1.00 0.00 C ATOM 480 O VAL A 33 -2.038 -14.465 7.220 1.00 0.00 O ATOM 481 CB VAL A 33 1.010 -14.285 6.251 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.905 -15.669 6.912 1.00 0.00 C ATOM 483 CG2 VAL A 33 2.127 -14.371 5.194 1.00 0.00 C ATOM 0 H VAL A 33 0.141 -11.796 5.357 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.750 -14.615 5.051 1.00 0.00 H new ATOM 0 HB VAL A 33 1.263 -13.526 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.879 -15.958 7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.180 -15.630 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.582 -16.402 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.050 -14.708 5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.838 -15.078 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.285 -13.388 4.750 1.00 0.00 H new ATOM 493 N HIS A 34 -1.587 -12.282 7.161 1.00 0.00 N ATOM 494 CA HIS A 34 -2.531 -11.923 8.207 1.00 0.00 C ATOM 495 C HIS A 34 -3.358 -10.715 7.794 1.00 0.00 C ATOM 496 O HIS A 34 -2.985 -9.979 6.877 1.00 0.00 O ATOM 497 CB HIS A 34 -1.725 -11.654 9.480 1.00 0.00 C ATOM 498 CG HIS A 34 -0.985 -12.871 9.999 1.00 0.00 C ATOM 499 ND1 HIS A 34 -1.451 -14.171 10.069 1.00 0.00 N ATOM 500 CD2 HIS A 34 0.324 -12.886 10.394 1.00 0.00 C ATOM 501 CE1 HIS A 34 -0.448 -14.943 10.521 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.653 -14.202 10.750 1.00 0.00 N ATOM 0 H HIS A 34 -1.097 -11.481 6.763 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.239 -12.733 8.385 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.006 -10.859 9.283 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.398 -11.290 10.256 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.988 -12.035 10.426 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.516 -16.009 10.679 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.548 -14.532 11.111 1.00 0.00 H new ATOM 510 N SER A 35 -4.509 -10.517 8.444 1.00 0.00 N ATOM 511 CA SER A 35 -5.346 -9.387 8.089 1.00 0.00 C ATOM 512 C SER A 35 -4.605 -8.089 8.395 1.00 0.00 C ATOM 513 O SER A 35 -3.909 -7.988 9.411 1.00 0.00 O ATOM 514 CB SER A 35 -6.714 -9.452 8.766 1.00 0.00 C ATOM 515 OG SER A 35 -6.670 -9.378 10.175 1.00 0.00 O ATOM 0 H SER A 35 -4.867 -11.108 9.194 1.00 0.00 H new ATOM 0 HA SER A 35 -5.548 -9.422 7.018 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.331 -8.636 8.390 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.205 -10.382 8.478 1.00 0.00 H new ATOM 0 HG SER A 35 -7.581 -9.424 10.534 1.00 0.00 H new ATOM 521 N GLY A 36 -4.776 -7.082 7.543 1.00 0.00 N ATOM 522 CA GLY A 36 -4.125 -5.807 7.717 1.00 0.00 C ATOM 523 C GLY A 36 -2.772 -5.768 7.028 1.00 0.00 C ATOM 524 O GLY A 36 -2.207 -4.676 6.933 1.00 0.00 O ATOM 0 H GLY A 36 -5.371 -7.137 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.760 -5.017 7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.998 -5.606 8.781 1.00 0.00 H new ATOM 528 N ASP A 37 -2.237 -6.914 6.591 1.00 0.00 N ATOM 529 CA ASP A 37 -0.973 -6.924 5.871 1.00 0.00 C ATOM 530 C ASP A 37 -1.306 -6.249 4.544 1.00 0.00 C ATOM 531 O ASP A 37 -2.395 -6.466 4.001 1.00 0.00 O ATOM 532 CB ASP A 37 -0.473 -8.341 5.502 1.00 0.00 C ATOM 533 CG ASP A 37 0.368 -9.065 6.547 1.00 0.00 C ATOM 534 OD1 ASP A 37 1.130 -8.398 7.285 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.354 -10.322 6.553 1.00 0.00 O ATOM 0 H ASP A 37 -2.659 -7.833 6.725 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.206 -6.455 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.341 -8.960 5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.113 -8.267 4.586 1.00 0.00 H new ATOM 540 N PHE A 38 -0.384 -5.468 3.994 1.00 0.00 N ATOM 541 CA PHE A 38 -0.541 -4.812 2.712 1.00 0.00 C ATOM 542 C PHE A 38 0.797 -4.639 2.007 1.00 0.00 C ATOM 543 O PHE A 38 1.866 -4.663 2.614 1.00 0.00 O ATOM 544 CB PHE A 38 -1.213 -3.437 2.851 1.00 0.00 C ATOM 545 CG PHE A 38 -0.314 -2.348 3.397 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.191 -2.189 4.785 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.439 -1.529 2.529 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.683 -1.221 5.299 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.293 -0.543 3.052 1.00 0.00 C ATOM 550 CZ PHE A 38 1.409 -0.381 4.441 1.00 0.00 C ATOM 0 H PHE A 38 0.512 -5.272 4.441 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.182 -5.460 2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.583 -3.128 1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.080 -3.535 3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.767 -2.810 5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.359 -1.660 1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.799 -1.121 6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.860 0.090 2.385 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.053 0.385 4.847 1.00 0.00 H new ATOM 560 N LEU A 39 0.712 -4.429 0.700 1.00 0.00 N ATOM 561 CA LEU A 39 1.814 -4.200 -0.215 1.00 0.00 C ATOM 562 C LEU A 39 1.265 -3.463 -1.428 1.00 0.00 C ATOM 563 O LEU A 39 0.050 -3.275 -1.545 1.00 0.00 O ATOM 564 CB LEU A 39 2.539 -5.505 -0.614 1.00 0.00 C ATOM 565 CG LEU A 39 1.822 -6.643 -1.378 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.692 -7.289 -0.592 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.358 -6.292 -2.798 1.00 0.00 C ATOM 0 H LEU A 39 -0.190 -4.414 0.223 1.00 0.00 H new ATOM 0 HA LEU A 39 2.574 -3.596 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.399 -5.214 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.929 -5.941 0.306 1.00 0.00 H new ATOM 0 HG LEU A 39 2.617 -7.380 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.236 -8.077 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.088 -7.716 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.059 -6.537 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.868 -7.157 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.656 -5.459 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.220 -6.010 -3.403 1.00 0.00 H new ATOM 579 N VAL A 40 2.141 -3.009 -2.319 1.00 0.00 N ATOM 580 CA VAL A 40 1.751 -2.333 -3.547 1.00 0.00 C ATOM 581 C VAL A 40 2.365 -3.165 -4.673 1.00 0.00 C ATOM 582 O VAL A 40 3.349 -3.878 -4.460 1.00 0.00 O ATOM 583 CB VAL A 40 2.163 -0.834 -3.543 1.00 0.00 C ATOM 584 CG1 VAL A 40 3.356 -0.516 -4.441 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.000 0.076 -3.956 1.00 0.00 C ATOM 0 H VAL A 40 3.150 -3.102 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 40 0.670 -2.281 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 40 2.454 -0.639 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.581 0.549 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.223 -1.089 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.117 -0.781 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.328 1.115 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.672 -0.186 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.172 -0.053 -3.259 1.00 0.00 H new ATOM 595 N ARG A 41 1.777 -3.101 -5.867 1.00 0.00 N ATOM 596 CA ARG A 41 2.276 -3.808 -7.033 1.00 0.00 C ATOM 597 C ARG A 41 1.921 -2.978 -8.246 1.00 0.00 C ATOM 598 O ARG A 41 0.877 -2.321 -8.238 1.00 0.00 O ATOM 599 CB ARG A 41 1.705 -5.226 -7.108 1.00 0.00 C ATOM 600 CG ARG A 41 0.206 -5.259 -7.425 1.00 0.00 C ATOM 601 CD ARG A 41 -0.323 -6.674 -7.225 1.00 0.00 C ATOM 602 NE ARG A 41 -1.593 -6.876 -7.934 1.00 0.00 N ATOM 603 CZ ARG A 41 -1.695 -7.179 -9.236 1.00 0.00 C ATOM 604 NH1 ARG A 41 -0.627 -7.467 -9.977 1.00 0.00 N ATOM 605 NH2 ARG A 41 -2.891 -7.186 -9.805 1.00 0.00 N ATOM 0 H ARG A 41 0.936 -2.552 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 41 3.358 -3.932 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.243 -5.787 -7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.880 -5.732 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.329 -4.564 -6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.033 -4.936 -8.452 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.414 -7.393 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.464 -6.864 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.456 -6.779 -7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.302 -7.461 -9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.738 -7.694 -10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.719 -6.963 -9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.984 -7.415 -10.795 1.00 0.00 H new ATOM 619 N GLU A 42 2.786 -2.921 -9.252 1.00 0.00 N ATOM 620 CA GLU A 42 2.438 -2.164 -10.445 1.00 0.00 C ATOM 621 C GLU A 42 1.510 -3.055 -11.282 1.00 0.00 C ATOM 622 O GLU A 42 1.441 -4.274 -11.081 1.00 0.00 O ATOM 623 CB GLU A 42 3.684 -1.712 -11.222 1.00 0.00 C ATOM 624 CG GLU A 42 3.340 -0.472 -12.059 1.00 0.00 C ATOM 625 CD GLU A 42 4.472 -0.055 -12.986 1.00 0.00 C ATOM 626 OE1 GLU A 42 4.505 -0.536 -14.140 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.265 0.839 -12.612 1.00 0.00 O ATOM 0 H GLU A 42 3.701 -3.372 -9.268 1.00 0.00 H new ATOM 0 HA GLU A 42 1.927 -1.239 -10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.495 -1.484 -10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.034 -2.516 -11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.448 -0.675 -12.651 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.099 0.356 -11.392 1.00 0.00 H new ATOM 634 N SER A 43 0.766 -2.448 -12.203 1.00 0.00 N ATOM 635 CA SER A 43 -0.140 -3.149 -13.089 1.00 0.00 C ATOM 636 C SER A 43 0.672 -4.074 -14.015 1.00 0.00 C ATOM 637 O SER A 43 1.900 -3.979 -14.088 1.00 0.00 O ATOM 638 CB SER A 43 -0.919 -2.096 -13.878 1.00 0.00 C ATOM 639 OG SER A 43 -2.287 -2.432 -13.996 1.00 0.00 O ATOM 0 H SER A 43 0.781 -1.439 -12.352 1.00 0.00 H new ATOM 0 HA SER A 43 -0.842 -3.774 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.824 -1.129 -13.385 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.484 -1.991 -14.872 1.00 0.00 H new ATOM 0 HG SER A 43 -2.833 -1.730 -13.584 1.00 0.00 H new ATOM 645 N GLN A 44 -0.010 -4.956 -14.752 1.00 0.00 N ATOM 646 CA GLN A 44 0.630 -5.901 -15.666 1.00 0.00 C ATOM 647 C GLN A 44 1.394 -5.208 -16.814 1.00 0.00 C ATOM 648 O GLN A 44 2.210 -5.851 -17.477 1.00 0.00 O ATOM 649 CB GLN A 44 -0.432 -6.879 -16.213 1.00 0.00 C ATOM 650 CG GLN A 44 0.200 -8.220 -16.620 1.00 0.00 C ATOM 651 CD GLN A 44 -0.738 -9.149 -17.381 1.00 0.00 C ATOM 652 OE1 GLN A 44 -0.997 -10.275 -16.958 1.00 0.00 O ATOM 653 NE2 GLN A 44 -1.221 -8.740 -18.544 1.00 0.00 N ATOM 0 H GLN A 44 -1.027 -5.033 -14.730 1.00 0.00 H new ATOM 0 HA GLN A 44 1.382 -6.452 -15.102 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.196 -7.050 -15.455 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.931 -6.433 -17.074 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.077 -8.023 -17.237 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.550 -8.731 -15.723 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.001 -7.805 -18.887 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.813 -9.360 -19.097 1.00 0.00 H new ATOM 662 N GLY A 45 1.136 -3.930 -17.078 1.00 0.00 N ATOM 663 CA GLY A 45 1.779 -3.144 -18.119 1.00 0.00 C ATOM 664 C GLY A 45 1.611 -1.648 -17.866 1.00 0.00 C ATOM 665 O GLY A 45 2.530 -0.862 -18.111 1.00 0.00 O ATOM 0 H GLY A 45 0.446 -3.396 -16.550 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.840 -3.391 -18.162 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.352 -3.402 -19.088 1.00 0.00 H new ATOM 669 N LYS A 46 0.440 -1.237 -17.369 1.00 0.00 N ATOM 670 CA LYS A 46 0.150 0.157 -17.084 1.00 0.00 C ATOM 671 C LYS A 46 0.975 0.630 -15.913 1.00 0.00 C ATOM 672 O LYS A 46 1.133 -0.085 -14.923 1.00 0.00 O ATOM 673 CB LYS A 46 -1.318 0.372 -16.685 1.00 0.00 C ATOM 674 CG LYS A 46 -2.323 0.048 -17.787 1.00 0.00 C ATOM 675 CD LYS A 46 -3.760 0.310 -17.321 1.00 0.00 C ATOM 676 CE LYS A 46 -4.230 -0.712 -16.277 1.00 0.00 C ATOM 677 NZ LYS A 46 -5.470 -0.293 -15.594 1.00 0.00 N ATOM 0 H LYS A 46 -0.331 -1.870 -17.155 1.00 0.00 H new ATOM 0 HA LYS A 46 0.377 0.708 -17.997 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.540 -0.245 -15.814 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.451 1.410 -16.382 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.108 0.652 -18.668 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.218 -0.996 -18.083 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.826 1.313 -16.899 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.429 0.281 -18.181 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.394 -1.674 -16.763 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.443 -0.859 -15.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.980 -1.133 -15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.232 0.318 -14.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.073 0.232 -16.260 1.00 0.00 H new ATOM 691 N GLN A 47 1.362 1.893 -15.985 1.00 0.00 N ATOM 692 CA GLN A 47 2.120 2.590 -14.973 1.00 0.00 C ATOM 693 C GLN A 47 1.120 3.047 -13.895 1.00 0.00 C ATOM 694 O GLN A 47 1.043 4.226 -13.557 1.00 0.00 O ATOM 695 CB GLN A 47 2.987 3.693 -15.609 1.00 0.00 C ATOM 696 CG GLN A 47 2.253 4.789 -16.393 1.00 0.00 C ATOM 697 CD GLN A 47 1.622 4.360 -17.720 1.00 0.00 C ATOM 698 OE1 GLN A 47 1.987 3.348 -18.310 1.00 0.00 O ATOM 699 NE2 GLN A 47 0.599 5.055 -18.181 1.00 0.00 N ATOM 0 H GLN A 47 1.144 2.482 -16.789 1.00 0.00 H new ATOM 0 HA GLN A 47 2.853 1.954 -14.477 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.563 4.171 -14.816 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.702 3.217 -16.280 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.469 5.199 -15.757 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.956 5.597 -16.593 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.293 5.897 -17.693 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.114 4.750 -19.025 1.00 0.00 H new ATOM 708 N GLU A 48 0.304 2.127 -13.372 1.00 0.00 N ATOM 709 CA GLU A 48 -0.729 2.369 -12.371 1.00 0.00 C ATOM 710 C GLU A 48 -0.600 1.395 -11.196 1.00 0.00 C ATOM 711 O GLU A 48 -1.004 0.232 -11.312 1.00 0.00 O ATOM 712 CB GLU A 48 -2.078 2.245 -13.091 1.00 0.00 C ATOM 713 CG GLU A 48 -3.299 2.453 -12.189 1.00 0.00 C ATOM 714 CD GLU A 48 -4.566 2.265 -13.018 1.00 0.00 C ATOM 715 OE1 GLU A 48 -4.941 1.096 -13.271 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.144 3.268 -13.497 1.00 0.00 O ATOM 0 H GLU A 48 0.351 1.147 -13.651 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.631 3.363 -11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.112 2.973 -13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.143 1.257 -13.547 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.281 1.743 -11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.279 3.452 -11.753 1.00 0.00 H new ATOM 723 N TYR A 49 -0.042 1.862 -10.077 1.00 0.00 N ATOM 724 CA TYR A 49 0.143 1.069 -8.866 1.00 0.00 C ATOM 725 C TYR A 49 -1.204 0.627 -8.281 1.00 0.00 C ATOM 726 O TYR A 49 -2.216 1.335 -8.342 1.00 0.00 O ATOM 727 CB TYR A 49 0.967 1.844 -7.825 1.00 0.00 C ATOM 728 CG TYR A 49 2.360 2.241 -8.282 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.266 1.263 -8.734 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.742 3.597 -8.284 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.520 1.642 -9.245 1.00 0.00 C ATOM 732 CE2 TYR A 49 4.004 3.979 -8.774 1.00 0.00 C ATOM 733 CZ TYR A 49 4.898 3.001 -9.266 1.00 0.00 C ATOM 734 OH TYR A 49 6.116 3.347 -9.763 1.00 0.00 O ATOM 0 H TYR A 49 0.299 2.819 -9.988 1.00 0.00 H new ATOM 0 HA TYR A 49 0.698 0.171 -9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.420 2.745 -7.548 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.055 1.235 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.997 0.218 -8.688 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.062 4.347 -7.907 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.196 0.890 -9.623 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.290 5.020 -8.774 1.00 0.00 H new ATOM 0 HH TYR A 49 6.227 4.319 -9.709 1.00 0.00 H new ATOM 744 N VAL A 50 -1.184 -0.528 -7.624 1.00 0.00 N ATOM 745 CA VAL A 50 -2.319 -1.174 -7.001 1.00 0.00 C ATOM 746 C VAL A 50 -1.940 -1.601 -5.595 1.00 0.00 C ATOM 747 O VAL A 50 -0.935 -2.288 -5.416 1.00 0.00 O ATOM 748 CB VAL A 50 -2.682 -2.423 -7.833 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.819 -3.209 -7.173 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.030 -2.067 -9.280 1.00 0.00 C ATOM 0 H VAL A 50 -0.323 -1.063 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.167 -0.491 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.797 -3.059 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.056 -4.084 -7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.510 -3.529 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.701 -2.574 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.279 -2.976 -9.828 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.884 -1.390 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.175 -1.582 -9.751 1.00 0.00 H new ATOM 760 N LEU A 51 -2.711 -1.176 -4.599 1.00 0.00 N ATOM 761 CA LEU A 51 -2.475 -1.562 -3.217 1.00 0.00 C ATOM 762 C LEU A 51 -3.205 -2.887 -3.030 1.00 0.00 C ATOM 763 O LEU A 51 -4.346 -3.021 -3.484 1.00 0.00 O ATOM 764 CB LEU A 51 -3.106 -0.531 -2.271 1.00 0.00 C ATOM 765 CG LEU A 51 -2.777 -0.776 -0.785 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.387 -0.239 -0.439 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.819 -0.102 0.112 1.00 0.00 C ATOM 0 H LEU A 51 -3.512 -0.558 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.408 -1.631 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.763 0.465 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.188 -0.544 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.794 -1.852 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.178 -0.423 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.639 -0.743 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.352 0.833 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.572 -0.285 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.823 0.971 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.805 -0.512 -0.105 1.00 0.00 H new ATOM 779 N SER A 52 -2.593 -3.877 -2.394 1.00 0.00 N ATOM 780 CA SER A 52 -3.237 -5.145 -2.135 1.00 0.00 C ATOM 781 C SER A 52 -3.101 -5.355 -0.637 1.00 0.00 C ATOM 782 O SER A 52 -2.004 -5.202 -0.108 1.00 0.00 O ATOM 783 CB SER A 52 -2.594 -6.260 -2.962 1.00 0.00 C ATOM 784 OG SER A 52 -3.391 -7.425 -2.900 1.00 0.00 O ATOM 0 H SER A 52 -1.636 -3.818 -2.046 1.00 0.00 H new ATOM 0 HA SER A 52 -4.287 -5.156 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.484 -5.939 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.593 -6.473 -2.586 1.00 0.00 H new ATOM 0 HG SER A 52 -4.077 -7.389 -3.599 1.00 0.00 H new ATOM 790 N VAL A 53 -4.197 -5.637 0.059 1.00 0.00 N ATOM 791 CA VAL A 53 -4.187 -5.902 1.499 1.00 0.00 C ATOM 792 C VAL A 53 -5.029 -7.161 1.724 1.00 0.00 C ATOM 793 O VAL A 53 -5.805 -7.538 0.845 1.00 0.00 O ATOM 794 CB VAL A 53 -4.584 -4.678 2.367 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.543 -3.318 1.664 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.905 -4.805 3.064 1.00 0.00 C ATOM 0 H VAL A 53 -5.125 -5.689 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.170 -6.086 1.846 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.784 -4.698 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.839 -2.537 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.531 -3.122 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.230 -3.325 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.098 -3.904 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.695 -4.936 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.884 -5.668 3.729 1.00 0.00 H new ATOM 806 N LEU A 54 -4.899 -7.821 2.872 1.00 0.00 N ATOM 807 CA LEU A 54 -5.655 -9.025 3.200 1.00 0.00 C ATOM 808 C LEU A 54 -6.608 -8.694 4.339 1.00 0.00 C ATOM 809 O LEU A 54 -6.239 -7.973 5.269 1.00 0.00 O ATOM 810 CB LEU A 54 -4.669 -10.139 3.577 1.00 0.00 C ATOM 811 CG LEU A 54 -5.293 -11.537 3.739 1.00 0.00 C ATOM 812 CD1 LEU A 54 -5.449 -12.228 2.385 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.427 -12.424 4.637 1.00 0.00 C ATOM 0 H LEU A 54 -4.257 -7.530 3.610 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.244 -9.374 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.894 -10.191 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.178 -9.867 4.511 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.273 -11.398 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.892 -13.214 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.096 -11.629 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.471 -12.335 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.891 -13.406 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.437 -12.533 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.336 -11.966 5.622 1.00 0.00 H new ATOM 825 N TRP A 55 -7.844 -9.173 4.254 1.00 0.00 N ATOM 826 CA TRP A 55 -8.863 -8.966 5.266 1.00 0.00 C ATOM 827 C TRP A 55 -9.857 -10.095 5.090 1.00 0.00 C ATOM 828 O TRP A 55 -10.233 -10.395 3.951 1.00 0.00 O ATOM 829 CB TRP A 55 -9.546 -7.614 5.074 1.00 0.00 C ATOM 830 CG TRP A 55 -10.190 -7.033 6.298 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.510 -7.067 6.593 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.561 -6.284 7.381 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.745 -6.352 7.751 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.579 -5.836 8.272 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.236 -5.906 7.690 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.301 -5.039 9.392 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.949 -5.127 8.822 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.977 -4.677 9.665 1.00 0.00 C ATOM 0 H TRP A 55 -8.168 -9.727 3.461 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.435 -8.963 6.268 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.808 -6.904 4.702 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.306 -7.718 4.300 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.265 -7.576 6.012 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.667 -6.222 8.168 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.430 -6.222 7.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.101 -4.708 10.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.924 -4.871 9.047 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.748 -4.056 10.518 1.00 0.00 H new ATOM 849 N ASP A 56 -10.304 -10.698 6.190 1.00 0.00 N ATOM 850 CA ASP A 56 -11.249 -11.813 6.181 1.00 0.00 C ATOM 851 C ASP A 56 -10.751 -12.976 5.300 1.00 0.00 C ATOM 852 O ASP A 56 -11.531 -13.735 4.721 1.00 0.00 O ATOM 853 CB ASP A 56 -12.638 -11.295 5.798 1.00 0.00 C ATOM 854 CG ASP A 56 -13.735 -12.314 6.066 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.745 -12.937 7.149 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.686 -12.363 5.253 1.00 0.00 O ATOM 0 H ASP A 56 -10.015 -10.421 7.128 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.326 -12.239 7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.849 -10.383 6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.644 -11.029 4.741 1.00 0.00 H new ATOM 861 N GLY A 57 -9.426 -13.091 5.161 1.00 0.00 N ATOM 862 CA GLY A 57 -8.735 -14.106 4.383 1.00 0.00 C ATOM 863 C GLY A 57 -8.788 -13.898 2.872 1.00 0.00 C ATOM 864 O GLY A 57 -8.274 -14.747 2.150 1.00 0.00 O ATOM 0 H GLY A 57 -8.781 -12.443 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.691 -14.136 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.166 -15.080 4.617 1.00 0.00 H new ATOM 868 N LEU A 58 -9.360 -12.796 2.372 1.00 0.00 N ATOM 869 CA LEU A 58 -9.480 -12.510 0.941 1.00 0.00 C ATOM 870 C LEU A 58 -8.641 -11.273 0.582 1.00 0.00 C ATOM 871 O LEU A 58 -8.926 -10.195 1.109 1.00 0.00 O ATOM 872 CB LEU A 58 -10.973 -12.325 0.602 1.00 0.00 C ATOM 873 CG LEU A 58 -11.365 -12.445 -0.884 1.00 0.00 C ATOM 874 CD1 LEU A 58 -10.668 -11.442 -1.809 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.175 -13.861 -1.432 1.00 0.00 C ATOM 0 H LEU A 58 -9.759 -12.066 2.963 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.094 -13.338 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.544 -13.063 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.284 -11.343 0.958 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.427 -12.199 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.003 -11.599 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.915 -10.427 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.589 -11.585 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.466 -13.887 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.128 -14.150 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.795 -14.556 -0.866 1.00 0.00 H new ATOM 887 N PRO A 59 -7.622 -11.379 -0.295 1.00 0.00 N ATOM 888 CA PRO A 59 -6.785 -10.254 -0.687 1.00 0.00 C ATOM 889 C PRO A 59 -7.565 -9.216 -1.510 1.00 0.00 C ATOM 890 O PRO A 59 -7.878 -9.413 -2.690 1.00 0.00 O ATOM 891 CB PRO A 59 -5.586 -10.852 -1.429 1.00 0.00 C ATOM 892 CG PRO A 59 -6.117 -12.168 -1.984 1.00 0.00 C ATOM 893 CD PRO A 59 -7.175 -12.591 -0.965 1.00 0.00 C ATOM 0 HA PRO A 59 -6.439 -9.691 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.240 -10.193 -2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.741 -11.013 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.547 -12.039 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.326 -12.913 -2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.009 -13.090 -1.458 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.760 -13.299 -0.247 1.00 0.00 H new ATOM 901 N ARG A 60 -7.935 -8.110 -0.866 1.00 0.00 N ATOM 902 CA ARG A 60 -8.653 -7.000 -1.456 1.00 0.00 C ATOM 903 C ARG A 60 -7.661 -6.122 -2.210 1.00 0.00 C ATOM 904 O ARG A 60 -6.690 -5.635 -1.626 1.00 0.00 O ATOM 905 CB ARG A 60 -9.293 -6.180 -0.334 1.00 0.00 C ATOM 906 CG ARG A 60 -10.326 -6.932 0.508 1.00 0.00 C ATOM 907 CD ARG A 60 -11.477 -7.521 -0.315 1.00 0.00 C ATOM 908 NE ARG A 60 -12.070 -6.572 -1.277 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.201 -6.787 -1.960 1.00 0.00 C ATOM 910 NH1 ARG A 60 -13.999 -7.797 -1.660 1.00 0.00 N ATOM 911 NH2 ARG A 60 -13.525 -5.988 -2.963 1.00 0.00 N ATOM 0 H ARG A 60 -7.730 -7.965 0.123 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.422 -7.364 -2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.505 -5.816 0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.772 -5.304 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.827 -7.737 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.736 -6.254 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.113 -8.394 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.255 -7.869 0.364 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.583 -5.689 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.757 -8.429 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.857 -7.945 -2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.914 -5.211 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.386 -6.149 -3.486 1.00 0.00 H new ATOM 925 N HIS A 61 -7.906 -5.904 -3.497 1.00 0.00 N ATOM 926 CA HIS A 61 -7.067 -5.071 -4.342 1.00 0.00 C ATOM 927 C HIS A 61 -7.761 -3.715 -4.448 1.00 0.00 C ATOM 928 O HIS A 61 -8.961 -3.655 -4.739 1.00 0.00 O ATOM 929 CB HIS A 61 -6.889 -5.729 -5.713 1.00 0.00 C ATOM 930 CG HIS A 61 -6.425 -7.164 -5.640 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.309 -7.641 -4.988 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.070 -8.240 -6.185 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.267 -8.970 -5.163 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.320 -9.384 -5.890 1.00 0.00 N ATOM 0 H HIS A 61 -8.704 -6.308 -3.987 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.068 -4.946 -3.924 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.836 -5.689 -6.251 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.168 -5.152 -6.293 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.994 -8.212 -6.744 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.495 -9.618 -4.774 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.530 -10.342 -6.171 1.00 0.00 H new ATOM 942 N PHE A 62 -7.030 -2.626 -4.239 1.00 0.00 N ATOM 943 CA PHE A 62 -7.535 -1.268 -4.292 1.00 0.00 C ATOM 944 C PHE A 62 -6.659 -0.465 -5.254 1.00 0.00 C ATOM 945 O PHE A 62 -5.526 -0.098 -4.928 1.00 0.00 O ATOM 946 CB PHE A 62 -7.569 -0.674 -2.878 1.00 0.00 C ATOM 947 CG PHE A 62 -8.482 -1.385 -1.895 1.00 0.00 C ATOM 948 CD1 PHE A 62 -9.846 -1.041 -1.812 1.00 0.00 C ATOM 949 CD2 PHE A 62 -7.957 -2.355 -1.021 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.670 -1.636 -0.838 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.780 -2.944 -0.048 1.00 0.00 C ATOM 952 CZ PHE A 62 -10.132 -2.576 0.058 1.00 0.00 C ATOM 0 H PHE A 62 -6.035 -2.671 -4.021 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.558 -1.240 -4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.556 -0.679 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.879 0.369 -2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.261 -0.318 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.920 -2.647 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.715 -1.370 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.371 -3.685 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.755 -3.013 0.824 1.00 0.00 H new ATOM 962 N ILE A 63 -7.151 -0.275 -6.484 1.00 0.00 N ATOM 963 CA ILE A 63 -6.448 0.495 -7.510 1.00 0.00 C ATOM 964 C ILE A 63 -6.369 1.910 -6.949 1.00 0.00 C ATOM 965 O ILE A 63 -7.387 2.453 -6.502 1.00 0.00 O ATOM 966 CB ILE A 63 -7.181 0.449 -8.873 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.155 -0.995 -9.428 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.562 1.450 -9.874 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.077 -1.213 -10.632 1.00 0.00 C ATOM 0 H ILE A 63 -8.047 -0.651 -6.793 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.459 0.087 -7.717 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.219 0.747 -8.726 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.134 -1.245 -9.715 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.441 -1.684 -8.634 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.097 1.395 -10.822 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.638 2.460 -9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.513 1.202 -10.035 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.003 -2.249 -10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.106 -0.996 -10.346 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.778 -0.550 -11.444 1.00 0.00 H new ATOM 981 N ILE A 64 -5.164 2.464 -6.904 1.00 0.00 N ATOM 982 CA ILE A 64 -4.945 3.802 -6.387 1.00 0.00 C ATOM 983 C ILE A 64 -5.590 4.790 -7.367 1.00 0.00 C ATOM 984 O ILE A 64 -5.602 4.573 -8.584 1.00 0.00 O ATOM 985 CB ILE A 64 -3.434 3.988 -6.123 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.034 3.031 -4.966 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.117 5.451 -5.781 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.535 2.926 -4.683 1.00 0.00 C ATOM 0 H ILE A 64 -4.316 1.997 -7.225 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.420 3.986 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.858 3.745 -7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.535 3.361 -4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.413 2.035 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.048 5.559 -5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.410 6.091 -6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.668 5.743 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.368 2.233 -3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.021 2.562 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.145 3.908 -4.416 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.166 5.869 -6.841 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.830 6.897 -7.620 1.00 0.00 C ATOM 1002 C GLN A 65 -6.021 8.179 -7.488 1.00 0.00 C ATOM 1003 O GLN A 65 -5.582 8.508 -6.391 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.260 7.067 -7.082 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.108 5.787 -7.180 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.472 5.394 -8.614 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -9.282 6.154 -9.563 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -9.964 4.193 -8.846 1.00 0.00 N ATOM 0 H GLN A 65 -6.181 6.052 -5.838 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.894 6.632 -8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.213 7.383 -6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.755 7.865 -7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.563 4.965 -6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.025 5.925 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.128 3.550 -8.071 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.181 3.906 -9.801 1.00 0.00 H new ATOM 1017 N SER A 66 -5.824 8.896 -8.589 1.00 0.00 N ATOM 1018 CA SER A 66 -5.082 10.155 -8.633 1.00 0.00 C ATOM 1019 C SER A 66 -5.977 11.237 -9.218 1.00 0.00 C ATOM 1020 O SER A 66 -6.762 10.973 -10.133 1.00 0.00 O ATOM 1021 CB SER A 66 -3.789 9.999 -9.437 1.00 0.00 C ATOM 1022 OG SER A 66 -3.964 9.251 -10.622 1.00 0.00 O ATOM 0 H SER A 66 -6.184 8.612 -9.500 1.00 0.00 H new ATOM 0 HA SER A 66 -4.794 10.444 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.404 10.987 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.037 9.514 -8.815 1.00 0.00 H new ATOM 0 HG SER A 66 -3.109 9.184 -11.096 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.890 12.447 -8.680 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.631 13.635 -9.086 1.00 0.00 C ATOM 1030 C LEU A 67 -5.988 14.794 -8.331 1.00 0.00 C ATOM 1031 O LEU A 67 -5.459 14.589 -7.240 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.132 13.481 -8.771 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.979 14.732 -9.086 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -10.307 14.354 -9.752 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -9.266 15.520 -7.808 1.00 0.00 C ATOM 0 H LEU A 67 -5.261 12.637 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.583 13.805 -10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.526 12.638 -9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.246 13.236 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.404 15.349 -9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.880 15.258 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.109 13.826 -10.685 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.878 13.709 -9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.864 16.399 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.813 14.890 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.326 15.834 -7.355 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.018 15.998 -8.904 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.456 17.213 -8.310 1.00 0.00 C ATOM 1049 C ASP A 68 -4.003 17.020 -7.856 1.00 0.00 C ATOM 1050 O ASP A 68 -3.596 17.539 -6.826 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.389 17.716 -7.195 1.00 0.00 C ATOM 1052 CG ASP A 68 -5.978 19.057 -6.583 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -5.483 19.934 -7.334 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -6.266 19.257 -5.376 1.00 0.00 O ATOM 0 H ASP A 68 -6.444 16.160 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.402 17.991 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.398 17.808 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.427 16.966 -6.405 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.205 16.270 -8.634 1.00 0.00 N ATOM 1060 CA ASN A 69 -1.787 15.984 -8.370 1.00 0.00 C ATOM 1061 C ASN A 69 -1.546 15.173 -7.081 1.00 0.00 C ATOM 1062 O ASN A 69 -0.405 15.035 -6.635 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.000 17.311 -8.424 1.00 0.00 C ATOM 1064 CG ASN A 69 0.513 17.177 -8.435 1.00 0.00 C ATOM 1065 OD1 ASN A 69 1.177 17.337 -7.415 1.00 0.00 O ATOM 1066 ND2 ASN A 69 1.123 17.013 -9.595 1.00 0.00 N ATOM 0 H ASN A 69 -3.541 15.832 -9.492 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.413 15.321 -9.150 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.305 17.857 -9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.287 17.918 -7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.142 17.020 -9.641 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.575 16.880 -10.445 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.594 14.604 -6.474 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.539 13.827 -5.242 1.00 0.00 C ATOM 1075 C LEU A 70 -3.086 12.436 -5.527 1.00 0.00 C ATOM 1076 O LEU A 70 -3.662 12.208 -6.596 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.432 14.509 -4.176 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.726 15.535 -3.275 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.235 16.810 -3.961 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.629 15.923 -2.112 1.00 0.00 C ATOM 0 H LEU A 70 -3.540 14.679 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.513 13.765 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.258 15.006 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.867 13.735 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.827 15.017 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.755 17.456 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.518 16.551 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.082 17.333 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.118 16.650 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.550 16.361 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.867 15.036 -1.524 1.00 0.00 H new ATOM 1092 N TYR A 71 -2.881 11.492 -4.612 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.383 10.125 -4.715 1.00 0.00 C ATOM 1094 C TYR A 71 -4.287 9.929 -3.513 1.00 0.00 C ATOM 1095 O TYR A 71 -3.963 10.412 -2.431 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.295 9.067 -4.688 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.170 9.305 -5.642 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.286 8.845 -6.956 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.015 9.966 -5.200 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.230 9.043 -7.855 1.00 0.00 C ATOM 1101 CE2 TYR A 71 1.051 10.163 -6.088 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.950 9.693 -7.417 1.00 0.00 C ATOM 1103 OH TYR A 71 1.971 9.905 -8.289 1.00 0.00 O ATOM 0 H TYR A 71 -2.349 11.661 -3.758 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.888 10.005 -5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.890 9.007 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.743 8.098 -4.910 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.185 8.340 -7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.053 10.321 -4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.315 8.702 -8.876 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.945 10.671 -5.758 1.00 0.00 H new ATOM 0 HH TYR A 71 2.705 10.363 -7.828 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.415 9.253 -3.686 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.395 8.989 -2.642 1.00 0.00 C ATOM 1115 C ARG A 72 -7.129 7.698 -2.971 1.00 0.00 C ATOM 1116 O ARG A 72 -6.760 6.987 -3.913 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.321 10.215 -2.468 1.00 0.00 C ATOM 1118 CG ARG A 72 -7.947 10.848 -3.726 1.00 0.00 C ATOM 1119 CD ARG A 72 -9.233 10.167 -4.204 1.00 0.00 C ATOM 1120 NE ARG A 72 -9.662 10.695 -5.510 1.00 0.00 N ATOM 1121 CZ ARG A 72 -10.470 11.733 -5.756 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -10.923 12.550 -4.810 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -10.834 11.967 -7.006 1.00 0.00 N ATOM 0 H ARG A 72 -5.682 8.860 -4.589 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.914 8.841 -1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.135 9.924 -1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.752 10.990 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.160 11.897 -3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.215 10.822 -4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.072 9.092 -4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.023 10.320 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.298 10.209 -6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.656 12.401 -3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.537 13.326 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.499 11.362 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.449 12.752 -7.220 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.159 7.385 -2.191 1.00 0.00 N ATOM 1138 CA LEU A 73 -8.971 6.191 -2.384 1.00 0.00 C ATOM 1139 C LEU A 73 -10.443 6.461 -2.084 1.00 0.00 C ATOM 1140 O LEU A 73 -11.296 6.130 -2.907 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.403 5.049 -1.523 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.483 3.643 -2.137 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -9.924 3.164 -2.327 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -7.700 3.566 -3.454 1.00 0.00 C ATOM 0 H LEU A 73 -8.455 7.958 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.926 5.891 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.358 5.270 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.933 5.039 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.018 2.965 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.921 2.165 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.428 3.136 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.451 3.849 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.776 2.559 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.115 4.280 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.653 3.805 -3.269 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.759 7.073 -0.939 1.00 0.00 N ATOM 1157 CA GLU A 74 -12.138 7.382 -0.540 1.00 0.00 C ATOM 1158 C GLU A 74 -12.315 8.826 -0.069 1.00 0.00 C ATOM 1159 O GLU A 74 -13.437 9.330 -0.091 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.628 6.413 0.557 1.00 0.00 C ATOM 1161 CG GLU A 74 -11.806 6.498 1.853 1.00 0.00 C ATOM 1162 CD GLU A 74 -12.513 5.998 3.117 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -13.636 5.437 3.079 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -11.938 6.270 4.192 1.00 0.00 O ATOM 0 H GLU A 74 -10.061 7.371 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.745 7.255 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.672 6.628 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.588 5.393 0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.889 5.924 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.512 7.536 2.009 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.241 9.507 0.332 1.00 0.00 N ATOM 1172 CA GLY A 75 -11.291 10.870 0.817 1.00 0.00 C ATOM 1173 C GLY A 75 -9.923 11.507 0.675 1.00 0.00 C ATOM 1174 O GLY A 75 -9.468 11.664 -0.457 1.00 0.00 O ATOM 0 H GLY A 75 -10.300 9.113 0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.030 11.441 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.604 10.885 1.861 1.00 0.00 H new ATOM 1178 N GLU A 76 -9.269 11.807 1.796 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.958 12.446 1.867 1.00 0.00 C ATOM 1180 C GLU A 76 -6.919 11.770 0.982 1.00 0.00 C ATOM 1181 O GLU A 76 -6.922 10.543 0.816 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.460 12.517 3.323 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.422 13.217 4.295 1.00 0.00 C ATOM 1184 CD GLU A 76 -8.774 14.650 3.888 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -9.531 14.834 2.903 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -8.342 15.601 4.586 1.00 0.00 O ATOM 0 H GLU A 76 -9.655 11.602 2.718 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.088 13.458 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.277 11.504 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.503 13.039 3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.340 12.633 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.974 13.231 5.289 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.028 12.590 0.427 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.949 12.180 -0.432 1.00 0.00 C ATOM 1195 C GLY A 77 -3.689 12.935 -0.071 1.00 0.00 C ATOM 1196 O GLY A 77 -3.714 13.831 0.778 1.00 0.00 O ATOM 0 H GLY A 77 -6.051 13.598 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.782 11.107 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.210 12.368 -1.473 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.584 12.591 -0.728 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.298 13.221 -0.472 1.00 0.00 C ATOM 1202 C PHE A 78 -0.463 13.366 -1.743 1.00 0.00 C ATOM 1203 O PHE A 78 -0.717 12.678 -2.735 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.542 12.370 0.551 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.987 12.565 1.984 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.109 11.873 2.472 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.280 13.434 2.835 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.519 12.029 3.802 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.678 13.578 4.171 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.789 12.869 4.654 1.00 0.00 C ATOM 0 H PHE A 78 -2.558 11.870 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.474 14.227 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.660 11.319 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.521 12.599 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.660 11.215 1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.567 13.989 2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.390 11.506 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.129 14.235 4.830 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.083 12.971 5.688 1.00 0.00 H new ATOM 1220 N PRO A 79 0.581 14.221 -1.716 1.00 0.00 N ATOM 1221 CA PRO A 79 1.463 14.452 -2.855 1.00 0.00 C ATOM 1222 C PRO A 79 2.270 13.220 -3.279 1.00 0.00 C ATOM 1223 O PRO A 79 2.927 13.275 -4.319 1.00 0.00 O ATOM 1224 CB PRO A 79 2.409 15.577 -2.413 1.00 0.00 C ATOM 1225 CG PRO A 79 2.407 15.490 -0.895 1.00 0.00 C ATOM 1226 CD PRO A 79 0.967 15.096 -0.612 1.00 0.00 C ATOM 0 HA PRO A 79 0.867 14.706 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.411 15.437 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.059 16.550 -2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.115 14.747 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.671 16.440 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.881 14.582 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.322 15.973 -0.562 1.00 0.00 H new ATOM 1234 N SER A 80 2.299 12.141 -2.488 1.00 0.00 N ATOM 1235 CA SER A 80 3.045 10.938 -2.839 1.00 0.00 C ATOM 1236 C SER A 80 2.329 9.730 -2.260 1.00 0.00 C ATOM 1237 O SER A 80 1.633 9.848 -1.251 1.00 0.00 O ATOM 1238 CB SER A 80 4.478 11.015 -2.304 1.00 0.00 C ATOM 1239 OG SER A 80 5.324 10.203 -3.087 1.00 0.00 O ATOM 0 H SER A 80 1.809 12.082 -1.595 1.00 0.00 H new ATOM 0 HA SER A 80 3.098 10.849 -3.924 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.829 12.047 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.506 10.689 -1.264 1.00 0.00 H new ATOM 0 HG SER A 80 6.240 10.257 -2.742 1.00 0.00 H new ATOM 1245 N ILE A 81 2.501 8.567 -2.887 1.00 0.00 N ATOM 1246 CA ILE A 81 1.887 7.327 -2.456 1.00 0.00 C ATOM 1247 C ILE A 81 2.256 7.013 -0.994 1.00 0.00 C ATOM 1248 O ILE A 81 1.332 6.785 -0.213 1.00 0.00 O ATOM 1249 CB ILE A 81 2.237 6.161 -3.417 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.961 6.467 -4.911 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.521 4.869 -2.974 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.513 6.318 -5.368 1.00 0.00 C ATOM 0 H ILE A 81 3.081 8.466 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 81 0.805 7.449 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 81 3.316 6.023 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.283 7.488 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.582 5.808 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.776 4.059 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.838 4.605 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.443 5.028 -2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.440 6.557 -6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.183 5.292 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.120 6.998 -4.798 1.00 0.00 H new ATOM 1264 N PRO A 82 3.543 7.043 -0.573 1.00 0.00 N ATOM 1265 CA PRO A 82 3.899 6.711 0.801 1.00 0.00 C ATOM 1266 C PRO A 82 3.346 7.668 1.854 1.00 0.00 C ATOM 1267 O PRO A 82 3.110 7.240 2.983 1.00 0.00 O ATOM 1268 CB PRO A 82 5.428 6.636 0.848 1.00 0.00 C ATOM 1269 CG PRO A 82 5.879 7.480 -0.333 1.00 0.00 C ATOM 1270 CD PRO A 82 4.752 7.310 -1.344 1.00 0.00 C ATOM 0 HA PRO A 82 3.436 5.760 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.817 7.026 1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.779 5.608 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.012 8.525 -0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.832 7.134 -0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.635 8.208 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.965 6.489 -2.029 1.00 0.00 H new ATOM 1278 N LEU A 83 3.131 8.940 1.500 1.00 0.00 N ATOM 1279 CA LEU A 83 2.592 9.939 2.418 1.00 0.00 C ATOM 1280 C LEU A 83 1.178 9.514 2.851 1.00 0.00 C ATOM 1281 O LEU A 83 0.858 9.544 4.034 1.00 0.00 O ATOM 1282 CB LEU A 83 2.593 11.327 1.744 1.00 0.00 C ATOM 1283 CG LEU A 83 3.748 12.289 2.070 1.00 0.00 C ATOM 1284 CD1 LEU A 83 3.706 12.730 3.537 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.125 11.698 1.742 1.00 0.00 C ATOM 0 H LEU A 83 3.327 9.302 0.567 1.00 0.00 H new ATOM 0 HA LEU A 83 3.216 10.008 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.581 11.174 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.660 11.826 2.006 1.00 0.00 H new ATOM 0 HG LEU A 83 3.604 13.160 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.535 13.409 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.763 13.239 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.790 11.856 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.901 12.422 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.277 10.787 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.177 11.465 0.679 1.00 0.00 H new ATOM 1297 N LEU A 84 0.333 9.108 1.894 1.00 0.00 N ATOM 1298 CA LEU A 84 -1.035 8.664 2.173 1.00 0.00 C ATOM 1299 C LEU A 84 -0.999 7.392 3.000 1.00 0.00 C ATOM 1300 O LEU A 84 -1.749 7.290 3.967 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.801 8.504 0.849 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.220 7.900 0.799 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.238 6.371 0.939 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -4.179 8.579 1.780 1.00 0.00 C ATOM 0 H LEU A 84 0.581 9.079 0.905 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.570 9.408 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.864 9.495 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.176 7.896 0.195 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.589 8.111 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.267 6.014 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.664 5.925 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.796 6.088 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.163 8.117 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.801 8.465 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.256 9.639 1.538 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.150 6.426 2.639 1.00 0.00 N ATOM 1317 CA ILE A 85 -0.050 5.182 3.390 1.00 0.00 C ATOM 1318 C ILE A 85 0.258 5.518 4.851 1.00 0.00 C ATOM 1319 O ILE A 85 -0.448 5.032 5.729 1.00 0.00 O ATOM 1320 CB ILE A 85 0.997 4.245 2.747 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.609 3.813 1.317 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.301 2.997 3.591 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.738 3.093 1.173 1.00 0.00 C ATOM 0 H ILE A 85 0.474 6.485 1.834 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.994 4.638 3.363 1.00 0.00 H new ATOM 0 HB ILE A 85 1.904 4.847 2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.594 4.699 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.391 3.159 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.044 2.384 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.688 3.301 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.387 2.419 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.904 2.838 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.730 2.182 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.539 3.747 1.519 1.00 0.00 H new ATOM 1335 N ASP A 86 1.255 6.368 5.118 1.00 0.00 N ATOM 1336 CA ASP A 86 1.617 6.740 6.487 1.00 0.00 C ATOM 1337 C ASP A 86 0.414 7.278 7.261 1.00 0.00 C ATOM 1338 O ASP A 86 0.261 6.977 8.442 1.00 0.00 O ATOM 1339 CB ASP A 86 2.764 7.752 6.492 1.00 0.00 C ATOM 1340 CG ASP A 86 3.287 7.974 7.911 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.704 6.985 8.560 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.383 9.149 8.347 1.00 0.00 O ATOM 0 H ASP A 86 1.827 6.812 4.400 1.00 0.00 H new ATOM 0 HA ASP A 86 1.956 5.836 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.572 7.395 5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.421 8.699 6.074 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.462 8.043 6.602 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.653 8.587 7.230 1.00 0.00 C ATOM 1349 C HIS A 87 -2.600 7.457 7.638 1.00 0.00 C ATOM 1350 O HIS A 87 -3.026 7.409 8.789 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.350 9.570 6.282 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.513 10.291 6.913 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.441 11.512 7.539 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.820 9.877 6.947 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.681 11.845 7.920 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.559 10.883 7.589 1.00 0.00 N ATOM 0 H HIS A 87 -0.359 8.298 5.620 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.362 9.129 8.130 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.623 10.304 5.934 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.702 9.028 5.404 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.208 8.949 6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.941 12.763 8.425 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.563 10.884 7.769 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.948 6.544 6.723 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.865 5.425 7.002 1.00 0.00 C ATOM 1366 C LEU A 88 -3.356 4.535 8.119 1.00 0.00 C ATOM 1367 O LEU A 88 -4.148 4.000 8.894 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.068 4.535 5.765 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.251 5.002 4.913 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.929 6.355 4.300 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.524 3.971 3.816 1.00 0.00 C ATOM 0 H LEU A 88 -2.602 6.558 5.764 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.807 5.888 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.161 4.541 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.233 3.505 6.082 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.141 5.100 5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.770 6.689 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.744 7.079 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.041 6.269 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.366 4.301 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.640 3.867 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.760 3.009 4.271 1.00 0.00 H new ATOM 1383 N LEU A 89 -2.044 4.361 8.169 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.362 3.548 9.153 1.00 0.00 C ATOM 1385 C LEU A 89 -1.429 4.245 10.510 1.00 0.00 C ATOM 1386 O LEU A 89 -1.848 3.630 11.484 1.00 0.00 O ATOM 1387 CB LEU A 89 0.078 3.314 8.655 1.00 0.00 C ATOM 1388 CG LEU A 89 0.284 1.976 7.913 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.112 0.739 8.802 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.607 1.892 6.684 1.00 0.00 C ATOM 0 H LEU A 89 -1.408 4.798 7.502 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.833 2.574 9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.357 4.131 7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.756 3.351 9.508 1.00 0.00 H new ATOM 0 HG LEU A 89 1.327 1.970 7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.272 -0.161 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.837 0.771 9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.896 0.726 9.216 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.442 0.940 6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.652 1.967 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.367 2.709 6.004 1.00 0.00 H new ATOM 1402 N SER A 90 -1.082 5.528 10.574 1.00 0.00 N ATOM 1403 CA SER A 90 -1.091 6.329 11.792 1.00 0.00 C ATOM 1404 C SER A 90 -2.513 6.542 12.351 1.00 0.00 C ATOM 1405 O SER A 90 -2.671 6.710 13.564 1.00 0.00 O ATOM 1406 CB SER A 90 -0.406 7.653 11.426 1.00 0.00 C ATOM 1407 OG SER A 90 -0.043 8.478 12.515 1.00 0.00 O ATOM 0 H SER A 90 -0.778 6.053 9.754 1.00 0.00 H new ATOM 0 HA SER A 90 -0.561 5.819 12.596 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.491 7.429 10.849 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.072 8.217 10.773 1.00 0.00 H new ATOM 0 HG SER A 90 0.386 9.293 12.179 1.00 0.00 H new ATOM 1413 N THR A 91 -3.556 6.501 11.512 1.00 0.00 N ATOM 1414 CA THR A 91 -4.951 6.704 11.911 1.00 0.00 C ATOM 1415 C THR A 91 -5.740 5.408 12.106 1.00 0.00 C ATOM 1416 O THR A 91 -6.678 5.387 12.908 1.00 0.00 O ATOM 1417 CB THR A 91 -5.660 7.558 10.844 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.500 6.969 9.573 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.127 8.988 10.753 1.00 0.00 C ATOM 0 H THR A 91 -3.449 6.321 10.514 1.00 0.00 H new ATOM 0 HA THR A 91 -4.923 7.202 12.880 1.00 0.00 H new ATOM 0 HB THR A 91 -6.706 7.600 11.148 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.684 7.314 9.153 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.672 9.531 9.981 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.261 9.488 11.712 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.067 8.966 10.501 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.342 4.319 11.438 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.999 3.010 11.462 1.00 0.00 C ATOM 1429 C GLN A 92 -7.439 3.118 10.926 1.00 0.00 C ATOM 1430 O GLN A 92 -8.317 2.339 11.301 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.888 2.314 12.831 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.451 1.953 13.232 1.00 0.00 C ATOM 1433 CD GLN A 92 -3.908 0.806 12.389 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.205 -0.361 12.641 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.113 1.120 11.387 1.00 0.00 N ATOM 0 H GLN A 92 -4.516 4.328 10.840 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.463 2.347 10.783 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.315 2.965 13.594 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.489 1.405 12.815 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.809 2.827 13.116 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.425 1.676 14.286 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.885 2.097 11.203 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.725 0.386 10.794 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.713 4.114 10.073 1.00 0.00 N ATOM 1445 CA GLN A 93 -9.036 4.288 9.487 1.00 0.00 C ATOM 1446 C GLN A 93 -9.275 3.225 8.419 1.00 0.00 C ATOM 1447 O GLN A 93 -8.300 2.717 7.845 1.00 0.00 O ATOM 1448 CB GLN A 93 -9.185 5.669 8.841 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.182 6.022 7.737 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.360 7.475 7.293 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.448 8.399 8.102 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -8.472 7.728 5.999 1.00 0.00 N ATOM 0 H GLN A 93 -7.029 4.810 9.777 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.766 4.193 10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.190 5.744 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.108 6.422 9.625 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.165 5.869 8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.321 5.356 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.400 6.968 5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.630 8.683 5.678 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.538 2.913 8.093 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.802 1.930 7.075 1.00 0.00 C ATOM 1463 C PRO A 94 -10.533 2.534 5.699 1.00 0.00 C ATOM 1464 O PRO A 94 -10.778 3.705 5.434 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.258 1.513 7.260 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.911 2.744 7.883 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.784 3.412 8.668 1.00 0.00 C ATOM 0 HA PRO A 94 -10.156 1.056 7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.723 1.251 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.346 0.642 7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.313 3.410 7.120 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.740 2.468 8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.843 4.497 8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.849 3.167 9.728 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.082 1.678 4.798 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.748 1.937 3.402 1.00 0.00 C ATOM 1477 C LEU A 95 -10.961 2.439 2.631 1.00 0.00 C ATOM 1478 O LEU A 95 -10.834 3.366 1.829 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.262 0.633 2.740 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.734 0.541 2.676 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.335 -0.905 2.405 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.189 1.415 1.545 1.00 0.00 C ATOM 0 H LEU A 95 -9.926 0.700 5.042 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.969 2.699 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.651 -0.220 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.669 0.568 1.731 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.323 0.885 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.249 -0.980 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.708 -1.542 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.763 -1.229 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.102 1.336 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.603 1.079 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.473 2.453 1.718 1.00 0.00 H new ATOM 1494 N THR A 96 -12.099 1.765 2.814 1.00 0.00 N ATOM 1495 CA THR A 96 -13.374 2.072 2.186 1.00 0.00 C ATOM 1496 C THR A 96 -14.475 1.609 3.137 1.00 0.00 C ATOM 1497 O THR A 96 -14.408 0.481 3.647 1.00 0.00 O ATOM 1498 CB THR A 96 -13.522 1.348 0.829 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.283 -0.047 0.930 1.00 0.00 O ATOM 1500 CG2 THR A 96 -12.594 1.868 -0.267 1.00 0.00 C ATOM 0 H THR A 96 -12.153 0.956 3.432 1.00 0.00 H new ATOM 0 HA THR A 96 -13.439 3.143 1.994 1.00 0.00 H new ATOM 0 HB THR A 96 -14.556 1.555 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.389 -0.462 0.049 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.764 1.305 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.798 2.924 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.557 1.747 0.046 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.520 2.417 3.321 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.651 2.095 4.189 1.00 0.00 C ATOM 1510 C LYS A 97 -17.297 0.761 3.821 1.00 0.00 C ATOM 1511 O LYS A 97 -17.707 0.019 4.712 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.673 3.241 4.099 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.991 3.011 4.852 1.00 0.00 C ATOM 1514 CD LYS A 97 -18.841 2.764 6.358 1.00 0.00 C ATOM 1515 CE LYS A 97 -18.500 4.054 7.127 1.00 0.00 C ATOM 1516 NZ LYS A 97 -17.051 4.344 7.242 1.00 0.00 N ATOM 0 H LYS A 97 -15.605 3.325 2.865 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.292 1.990 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.209 4.149 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.901 3.419 3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.633 3.879 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.502 2.157 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.767 2.343 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.058 2.024 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.986 4.895 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.923 3.986 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.865 4.834 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.516 3.453 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.754 4.949 6.450 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.370 0.423 2.532 1.00 0.00 N ATOM 1531 CA LYS A 98 -17.979 -0.827 2.077 1.00 0.00 C ATOM 1532 C LYS A 98 -17.241 -2.093 2.523 1.00 0.00 C ATOM 1533 O LYS A 98 -17.787 -3.171 2.299 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.108 -0.834 0.538 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.182 0.119 -0.004 1.00 0.00 C ATOM 1536 CD LYS A 98 -20.631 -0.358 0.150 1.00 0.00 C ATOM 1537 CE LYS A 98 -20.922 -1.549 -0.765 1.00 0.00 C ATOM 1538 NZ LYS A 98 -22.365 -1.709 -1.025 1.00 0.00 N ATOM 0 H LYS A 98 -17.010 1.006 1.777 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.960 -0.855 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.146 -0.566 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.336 -1.847 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.079 1.079 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.987 0.294 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.816 -0.639 1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -21.313 0.459 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -20.396 -1.416 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.533 -2.459 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.517 -2.527 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -22.865 -1.862 -0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -22.732 -0.851 -1.484 1.00 0.00 H new ATOM 1552 N SER A 99 -16.057 -2.028 3.135 1.00 0.00 N ATOM 1553 CA SER A 99 -15.355 -3.241 3.551 1.00 0.00 C ATOM 1554 C SER A 99 -14.742 -3.152 4.949 1.00 0.00 C ATOM 1555 O SER A 99 -14.490 -4.192 5.560 1.00 0.00 O ATOM 1556 CB SER A 99 -14.330 -3.594 2.471 1.00 0.00 C ATOM 1557 OG SER A 99 -13.408 -2.534 2.280 1.00 0.00 O ATOM 0 H SER A 99 -15.570 -1.158 3.351 1.00 0.00 H new ATOM 0 HA SER A 99 -16.081 -4.049 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.794 -4.500 2.755 1.00 0.00 H new ATOM 0 HB3 SER A 99 -14.843 -3.808 1.533 1.00 0.00 H new ATOM 0 HG SER A 99 -13.824 -1.832 1.737 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.508 -1.948 5.483 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.938 -1.798 6.817 1.00 0.00 C ATOM 1565 C GLY A 100 -12.512 -2.345 6.946 1.00 0.00 C ATOM 1566 O GLY A 100 -12.089 -2.633 8.063 1.00 0.00 O ATOM 0 H GLY A 100 -14.706 -1.067 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.937 -0.741 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.579 -2.309 7.535 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.784 -2.543 5.842 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.415 -3.045 5.855 1.00 0.00 C ATOM 1572 C VAL A 101 -9.491 -1.948 6.380 1.00 0.00 C ATOM 1573 O VAL A 101 -9.629 -0.808 5.944 1.00 0.00 O ATOM 1574 CB VAL A 101 -10.016 -3.423 4.418 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.587 -3.958 4.337 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.960 -4.465 3.811 1.00 0.00 C ATOM 0 H VAL A 101 -12.138 -2.355 4.904 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.335 -3.922 6.498 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.086 -2.497 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.351 -4.211 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.893 -3.196 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.496 -4.849 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.638 -4.700 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.940 -5.371 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.974 -4.067 3.787 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.527 -2.273 7.242 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.562 -1.332 7.814 1.00 0.00 C ATOM 1588 C VAL A 102 -6.160 -1.872 7.505 1.00 0.00 C ATOM 1589 O VAL A 102 -5.989 -3.085 7.384 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.815 -1.206 9.337 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.840 -0.240 10.016 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.249 -0.743 9.652 1.00 0.00 C ATOM 0 H VAL A 102 -8.392 -3.229 7.572 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.662 -0.334 7.387 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.660 -2.210 9.733 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.062 -0.189 11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.819 -0.594 9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.945 0.752 9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.379 -0.669 10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.424 0.232 9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.961 -1.464 9.249 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.167 -1.001 7.318 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.783 -1.385 7.044 1.00 0.00 C ATOM 1604 C LEU A 103 -3.112 -1.476 8.408 1.00 0.00 C ATOM 1605 O LEU A 103 -2.994 -0.460 9.087 1.00 0.00 O ATOM 1606 CB LEU A 103 -3.042 -0.318 6.223 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.295 -0.315 4.706 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.745 0.036 4.382 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.402 0.722 4.009 1.00 0.00 C ATOM 0 H LEU A 103 -5.306 0.009 7.354 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.758 -2.315 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.313 0.662 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.972 -0.443 6.389 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.068 -1.320 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.888 0.029 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.408 -0.697 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.975 1.027 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.597 0.708 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.620 1.714 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.355 0.481 4.191 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.724 -2.670 8.841 1.00 0.00 N ATOM 1622 CA HIS A 104 -2.064 -2.861 10.126 1.00 0.00 C ATOM 1623 C HIS A 104 -0.549 -2.726 9.965 1.00 0.00 C ATOM 1624 O HIS A 104 0.101 -2.070 10.784 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.428 -4.224 10.720 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.793 -4.252 11.371 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.019 -4.485 12.706 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -5.011 -4.041 10.779 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.343 -4.432 12.915 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -5.998 -4.169 11.768 1.00 0.00 N ATOM 0 H HIS A 104 -2.858 -3.532 8.312 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.409 -2.090 10.815 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.394 -4.976 9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.676 -4.502 11.458 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.181 -3.816 9.736 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.819 -4.580 13.873 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -7.007 -4.081 11.644 1.00 0.00 H new ATOM 1638 N ARG A 105 0.047 -3.337 8.933 1.00 0.00 N ATOM 1639 CA ARG A 105 1.491 -3.267 8.708 1.00 0.00 C ATOM 1640 C ARG A 105 1.813 -3.606 7.255 1.00 0.00 C ATOM 1641 O ARG A 105 1.054 -4.309 6.589 1.00 0.00 O ATOM 1642 CB ARG A 105 2.201 -4.226 9.679 1.00 0.00 C ATOM 1643 CG ARG A 105 3.723 -4.167 9.523 1.00 0.00 C ATOM 1644 CD ARG A 105 4.461 -4.894 10.638 1.00 0.00 C ATOM 1645 NE ARG A 105 5.885 -4.950 10.293 1.00 0.00 N ATOM 1646 CZ ARG A 105 6.711 -5.990 10.385 1.00 0.00 C ATOM 1647 NH1 ARG A 105 6.350 -7.093 11.031 1.00 0.00 N ATOM 1648 NH2 ARG A 105 7.902 -5.883 9.811 1.00 0.00 N ATOM 0 H ARG A 105 -0.456 -3.889 8.238 1.00 0.00 H new ATOM 0 HA ARG A 105 1.847 -2.254 8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.930 -3.972 10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.856 -5.245 9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.002 -4.604 8.564 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.041 -3.125 9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.321 -4.375 11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.062 -5.900 10.763 1.00 0.00 H new ATOM 0 HE ARG A 105 6.293 -4.085 9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.429 -7.151 11.465 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.994 -7.882 11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.157 -5.025 9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.563 -6.658 9.860 1.00 0.00 H new ATOM 1662 N ALA A 106 2.915 -3.050 6.757 1.00 0.00 N ATOM 1663 CA ALA A 106 3.389 -3.242 5.400 1.00 0.00 C ATOM 1664 C ALA A 106 4.243 -4.507 5.308 1.00 0.00 C ATOM 1665 O ALA A 106 5.005 -4.784 6.233 1.00 0.00 O ATOM 1666 CB ALA A 106 4.229 -2.020 5.032 1.00 0.00 C ATOM 0 H ALA A 106 3.516 -2.437 7.307 1.00 0.00 H new ATOM 0 HA ALA A 106 2.547 -3.355 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.604 -2.129 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.614 -1.123 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.069 -1.935 5.721 1.00 0.00 H new ATOM 1672 N VAL A 107 4.164 -5.240 4.198 1.00 0.00 N ATOM 1673 CA VAL A 107 4.924 -6.455 3.988 1.00 0.00 C ATOM 1674 C VAL A 107 6.290 -6.056 3.401 1.00 0.00 C ATOM 1675 O VAL A 107 6.305 -5.387 2.365 1.00 0.00 O ATOM 1676 CB VAL A 107 4.113 -7.361 3.044 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.901 -8.606 2.661 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.787 -7.813 3.681 1.00 0.00 C ATOM 0 H VAL A 107 3.560 -4.997 3.413 1.00 0.00 H new ATOM 0 HA VAL A 107 5.102 -7.008 4.910 1.00 0.00 H new ATOM 0 HB VAL A 107 3.904 -6.763 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.301 -9.225 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.821 -8.313 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.146 -9.172 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.246 -8.450 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.994 -8.370 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.181 -6.939 3.919 1.00 0.00 H new ATOM 1688 N PRO A 108 7.427 -6.391 4.040 1.00 0.00 N ATOM 1689 CA PRO A 108 8.743 -6.052 3.513 1.00 0.00 C ATOM 1690 C PRO A 108 9.083 -6.928 2.292 1.00 0.00 C ATOM 1691 O PRO A 108 8.656 -8.085 2.207 1.00 0.00 O ATOM 1692 CB PRO A 108 9.728 -6.273 4.665 1.00 0.00 C ATOM 1693 CG PRO A 108 8.988 -7.119 5.707 1.00 0.00 C ATOM 1694 CD PRO A 108 7.525 -7.159 5.271 1.00 0.00 C ATOM 0 HA PRO A 108 8.786 -5.021 3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.626 -6.783 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.047 -5.322 5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.405 -8.125 5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.085 -6.683 6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.198 -8.187 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 108 6.881 -6.736 6.042 1.00 0.00 H new ATOM 1702 N SER A 109 9.883 -6.401 1.359 1.00 0.00 N ATOM 1703 CA SER A 109 10.307 -7.103 0.152 1.00 0.00 C ATOM 1704 C SER A 109 11.219 -8.264 0.544 1.00 0.00 C ATOM 1705 O SER A 109 10.985 -9.396 0.115 1.00 0.00 O ATOM 1706 CB SER A 109 10.996 -6.134 -0.830 1.00 0.00 C ATOM 1707 OG SER A 109 11.285 -6.750 -2.074 1.00 0.00 O ATOM 0 H SER A 109 10.259 -5.455 1.427 1.00 0.00 H new ATOM 0 HA SER A 109 9.436 -7.507 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.354 -5.269 -0.995 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.920 -5.765 -0.386 1.00 0.00 H new ATOM 0 HG SER A 109 11.719 -6.102 -2.667 1.00 0.00 H new ATOM 1713 N GLY A 110 12.223 -8.002 1.385 1.00 0.00 N ATOM 1714 CA GLY A 110 13.178 -8.997 1.837 1.00 0.00 C ATOM 1715 C GLY A 110 14.529 -8.344 2.124 1.00 0.00 C ATOM 1716 O GLY A 110 14.619 -7.117 2.169 1.00 0.00 O ATOM 0 H GLY A 110 12.391 -7.074 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.805 -9.487 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.294 -9.770 1.078 1.00 0.00 H new ATOM 1720 N PRO A 111 15.596 -9.136 2.312 1.00 0.00 N ATOM 1721 CA PRO A 111 16.945 -8.646 2.588 1.00 0.00 C ATOM 1722 C PRO A 111 17.629 -7.962 1.385 1.00 0.00 C ATOM 1723 O PRO A 111 18.854 -7.791 1.394 1.00 0.00 O ATOM 1724 CB PRO A 111 17.711 -9.887 3.071 1.00 0.00 C ATOM 1725 CG PRO A 111 17.039 -11.028 2.316 1.00 0.00 C ATOM 1726 CD PRO A 111 15.581 -10.591 2.288 1.00 0.00 C ATOM 0 HA PRO A 111 16.924 -7.850 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 111 18.774 -9.820 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 111 17.630 -10.015 4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 111 17.447 -11.146 1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 111 17.167 -11.983 2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 111 15.080 -10.961 1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 111 15.038 -10.989 3.145 1.00 0.00 H new ATOM 1734 N SER A 112 16.897 -7.621 0.325 1.00 0.00 N ATOM 1735 CA SER A 112 17.392 -6.980 -0.885 1.00 0.00 C ATOM 1736 C SER A 112 18.087 -5.635 -0.624 1.00 0.00 C ATOM 1737 O SER A 112 18.060 -5.099 0.489 1.00 0.00 O ATOM 1738 CB SER A 112 16.210 -6.810 -1.852 1.00 0.00 C ATOM 1739 OG SER A 112 15.072 -6.277 -1.196 1.00 0.00 O ATOM 0 H SER A 112 15.893 -7.795 0.289 1.00 0.00 H new ATOM 0 HA SER A 112 18.161 -7.619 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.501 -6.151 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 112 15.958 -7.775 -2.293 1.00 0.00 H new ATOM 0 HG SER A 112 14.339 -6.180 -1.839 1.00 0.00 H new ATOM 1745 N SER A 113 18.762 -5.117 -1.652 1.00 0.00 N ATOM 1746 CA SER A 113 19.451 -3.838 -1.593 1.00 0.00 C ATOM 1747 C SER A 113 18.385 -2.730 -1.554 1.00 0.00 C ATOM 1748 O SER A 113 17.232 -2.950 -1.937 1.00 0.00 O ATOM 1749 CB SER A 113 20.343 -3.734 -2.837 1.00 0.00 C ATOM 1750 OG SER A 113 21.029 -2.502 -2.928 1.00 0.00 O ATOM 0 H SER A 113 18.843 -5.583 -2.556 1.00 0.00 H new ATOM 0 HA SER A 113 20.079 -3.740 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 113 21.069 -4.547 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 113 19.730 -3.868 -3.728 1.00 0.00 H new ATOM 0 HG SER A 113 21.581 -2.494 -3.737 1.00 0.00 H new ATOM 1756 N GLY A 114 18.780 -1.531 -1.137 1.00 0.00 N ATOM 1757 CA GLY A 114 17.919 -0.369 -1.041 1.00 0.00 C ATOM 1758 C GLY A 114 18.727 0.711 -0.379 1.00 0.00 C ATOM 1759 O GLY A 114 19.608 1.289 -1.050 1.00 0.00 O ATOM 0 H GLY A 114 19.740 -1.341 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 114 17.584 -0.052 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 114 17.025 -0.596 -0.459 1.00 0.00 H new TER 1763 GLY A 114