USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 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 Single : A 8 SER OG : rot 31:sc= 0.359 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.81! C(o=-6.8!,f=-18!) USER MOD Single : A 19 TYR OH : rot 83:sc= -2.94! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -30:sc= -0.897 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.12) USER MOD Single : A 30 ASN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00446 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -80:sc= -0.0452 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 73:sc= 0.896 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0383) USER MOD Single : A 69 SER OG : rot -140:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.24! X(o=-2.2!,f=-2.1) USER MOD Single : A 82 CYS SG : rot -170:sc= -9.85! USER MOD Single : A 84 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.4!) USER MOD Single : A 85 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.5) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -72:sc= 0.441 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.840 -1.324 -1.975 1.00 0.00 C ATOM 4 O LEU A 7 1.006 -2.128 -1.560 1.00 0.00 O ATOM 5 CB LEU A 7 3.549 0.307 -0.984 1.00 0.00 C ATOM 6 CG LEU A 7 3.853 1.682 -0.385 1.00 0.00 C ATOM 7 CD1 LEU A 7 5.303 1.762 0.096 1.00 0.00 C ATOM 8 CD2 LEU A 7 3.515 2.797 -1.376 1.00 0.00 C ATOM 0 HA LEU A 7 1.718 0.794 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.945 -0.455 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.091 0.215 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 7 3.217 1.823 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.493 2.749 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.476 1.003 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.975 1.591 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.740 3.764 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.108 2.671 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.455 2.752 -1.627 1.00 0.00 H new ATOM 20 N SER A 8 2.592 -1.511 -3.050 1.00 0.00 N ATOM 21 CA SER A 8 2.478 -2.724 -3.842 1.00 0.00 C ATOM 22 C SER A 8 3.781 -2.976 -4.604 1.00 0.00 C ATOM 23 O SER A 8 4.711 -2.175 -4.532 1.00 0.00 O ATOM 24 CB SER A 8 1.301 -2.638 -4.815 1.00 0.00 C ATOM 25 OG SER A 8 0.083 -3.076 -4.220 1.00 0.00 O ATOM 0 H SER A 8 3.283 -0.843 -3.391 1.00 0.00 H new ATOM 0 HA SER A 8 2.294 -3.558 -3.165 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.188 -1.609 -5.157 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.513 -3.245 -5.695 1.00 0.00 H new ATOM 0 HG SER A 8 0.099 -2.880 -3.260 1.00 0.00 H new ATOM 31 N LEU A 9 3.805 -4.092 -5.318 1.00 0.00 N ATOM 32 CA LEU A 9 4.978 -4.459 -6.093 1.00 0.00 C ATOM 33 C LEU A 9 5.123 -3.499 -7.275 1.00 0.00 C ATOM 34 O LEU A 9 6.237 -3.191 -7.696 1.00 0.00 O ATOM 35 CB LEU A 9 4.910 -5.932 -6.502 1.00 0.00 C ATOM 36 CG LEU A 9 4.915 -6.947 -5.357 1.00 0.00 C ATOM 37 CD1 LEU A 9 5.281 -8.343 -5.863 1.00 0.00 C ATOM 38 CD2 LEU A 9 5.834 -6.489 -4.222 1.00 0.00 C ATOM 0 H LEU A 9 3.031 -4.754 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 9 5.880 -4.361 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.006 -6.083 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.756 -6.147 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 9 3.906 -7.007 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.277 -9.045 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.553 -8.662 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.274 -8.319 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.819 -7.228 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.851 -6.382 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.487 -5.530 -3.837 1.00 0.00 H new ATOM 50 N THR A 10 3.982 -3.053 -7.778 1.00 0.00 N ATOM 51 CA THR A 10 3.968 -2.134 -8.904 1.00 0.00 C ATOM 52 C THR A 10 4.911 -0.958 -8.643 1.00 0.00 C ATOM 53 O THR A 10 5.957 -0.843 -9.282 1.00 0.00 O ATOM 54 CB THR A 10 2.519 -1.708 -9.149 1.00 0.00 C ATOM 55 OG1 THR A 10 1.923 -2.844 -9.768 1.00 0.00 O ATOM 56 CG2 THR A 10 2.403 -0.605 -10.203 1.00 0.00 C ATOM 0 H THR A 10 3.060 -3.311 -7.427 1.00 0.00 H new ATOM 0 HA THR A 10 4.339 -2.613 -9.810 1.00 0.00 H new ATOM 0 HB THR A 10 2.079 -1.363 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.981 -2.655 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.354 -0.340 -10.338 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.960 0.273 -9.874 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.812 -0.961 -11.149 1.00 0.00 H new ATOM 64 N GLN A 11 4.509 -0.114 -7.705 1.00 0.00 N ATOM 65 CA GLN A 11 5.305 1.049 -7.352 1.00 0.00 C ATOM 66 C GLN A 11 6.696 0.617 -6.881 1.00 0.00 C ATOM 67 O GLN A 11 7.670 1.347 -7.061 1.00 0.00 O ATOM 68 CB GLN A 11 4.603 1.892 -6.286 1.00 0.00 C ATOM 69 CG GLN A 11 4.180 3.250 -6.851 1.00 0.00 C ATOM 70 CD GLN A 11 2.862 3.716 -6.229 1.00 0.00 C ATOM 71 OE1 GLN A 11 1.815 3.709 -6.853 1.00 0.00 O ATOM 72 NE2 GLN A 11 2.973 4.121 -4.966 1.00 0.00 N ATOM 0 H GLN A 11 3.641 -0.212 -7.178 1.00 0.00 H new ATOM 0 HA GLN A 11 5.420 1.669 -8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.727 1.360 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.270 2.039 -5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.959 3.987 -6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.071 3.180 -7.933 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.881 4.101 -4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.150 4.451 -4.462 1.00 0.00 H new ATOM 81 N LEU A 12 6.744 -0.567 -6.289 1.00 0.00 N ATOM 82 CA LEU A 12 7.999 -1.104 -5.791 1.00 0.00 C ATOM 83 C LEU A 12 9.085 -0.918 -6.853 1.00 0.00 C ATOM 84 O LEU A 12 10.174 -0.431 -6.553 1.00 0.00 O ATOM 85 CB LEU A 12 7.819 -2.556 -5.343 1.00 0.00 C ATOM 86 CG LEU A 12 8.793 -3.052 -4.272 1.00 0.00 C ATOM 87 CD1 LEU A 12 10.241 -2.943 -4.755 1.00 0.00 C ATOM 88 CD2 LEU A 12 8.574 -2.317 -2.948 1.00 0.00 C ATOM 0 H LEU A 12 5.934 -1.170 -6.143 1.00 0.00 H new ATOM 0 HA LEU A 12 8.323 -0.558 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.803 -2.676 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.913 -3.200 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 12 8.592 -4.108 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.913 -3.302 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.372 -3.547 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.472 -1.902 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.279 -2.689 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.731 -1.248 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.555 -2.490 -2.600 1.00 0.00 H new ATOM 100 N SER A 13 8.750 -1.315 -8.072 1.00 0.00 N ATOM 101 CA SER A 13 9.683 -1.198 -9.179 1.00 0.00 C ATOM 102 C SER A 13 8.920 -0.966 -10.485 1.00 0.00 C ATOM 103 O SER A 13 9.212 -1.598 -11.499 1.00 0.00 O ATOM 104 CB SER A 13 10.563 -2.444 -9.292 1.00 0.00 C ATOM 105 OG SER A 13 10.320 -3.367 -8.234 1.00 0.00 O ATOM 0 H SER A 13 7.846 -1.718 -8.317 1.00 0.00 H new ATOM 0 HA SER A 13 10.333 -0.344 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.379 -2.933 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.612 -2.149 -9.282 1.00 0.00 H new ATOM 0 HG SER A 13 10.900 -4.149 -8.343 1.00 0.00 H new ATOM 111 N SER A 14 7.957 -0.059 -10.417 1.00 0.00 N ATOM 112 CA SER A 14 7.149 0.264 -11.581 1.00 0.00 C ATOM 113 C SER A 14 6.531 -1.011 -12.159 1.00 0.00 C ATOM 114 O SER A 14 6.058 -1.017 -13.294 1.00 0.00 O ATOM 115 CB SER A 14 7.981 0.981 -12.647 1.00 0.00 C ATOM 116 OG SER A 14 7.414 2.236 -13.011 1.00 0.00 O ATOM 0 H SER A 14 7.718 0.463 -9.574 1.00 0.00 H new ATOM 0 HA SER A 14 6.351 0.937 -11.268 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.993 1.135 -12.274 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.060 0.349 -13.531 1.00 0.00 H new ATOM 0 HG SER A 14 7.975 2.663 -13.692 1.00 0.00 H new ATOM 122 N GLY A 15 6.556 -2.061 -11.351 1.00 0.00 N ATOM 123 CA GLY A 15 6.005 -3.339 -11.768 1.00 0.00 C ATOM 124 C GLY A 15 7.042 -4.160 -12.536 1.00 0.00 C ATOM 125 O GLY A 15 6.825 -4.515 -13.693 1.00 0.00 O ATOM 0 H GLY A 15 6.949 -2.053 -10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.670 -3.897 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.129 -3.174 -12.396 1.00 0.00 H new ATOM 129 N ASN A 16 8.148 -4.438 -11.861 1.00 0.00 N ATOM 130 CA ASN A 16 9.220 -5.210 -12.465 1.00 0.00 C ATOM 131 C ASN A 16 9.270 -6.597 -11.820 1.00 0.00 C ATOM 132 O ASN A 16 9.541 -6.721 -10.627 1.00 0.00 O ATOM 133 CB ASN A 16 10.576 -4.537 -12.244 1.00 0.00 C ATOM 134 CG ASN A 16 11.613 -5.052 -13.245 1.00 0.00 C ATOM 135 OD1 ASN A 16 11.624 -6.210 -13.627 1.00 0.00 O ATOM 136 ND2 ASN A 16 12.482 -4.128 -13.647 1.00 0.00 N ATOM 0 H ASN A 16 8.325 -4.142 -10.901 1.00 0.00 H new ATOM 0 HA ASN A 16 9.023 -5.281 -13.535 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.471 -3.457 -12.347 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.920 -4.729 -11.228 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.213 -4.372 -14.315 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.417 -3.176 -13.288 1.00 0.00 H new ATOM 143 N PRO A 17 8.997 -7.631 -12.660 1.00 0.00 N ATOM 144 CA PRO A 17 9.008 -9.004 -12.184 1.00 0.00 C ATOM 145 C PRO A 17 10.440 -9.502 -11.981 1.00 0.00 C ATOM 146 O PRO A 17 10.653 -10.650 -11.591 1.00 0.00 O ATOM 147 CB PRO A 17 8.250 -9.792 -13.240 1.00 0.00 C ATOM 148 CG PRO A 17 8.245 -8.923 -14.487 1.00 0.00 C ATOM 149 CD PRO A 17 8.672 -7.522 -14.079 1.00 0.00 C ATOM 0 HA PRO A 17 8.536 -9.115 -11.208 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.733 -10.750 -13.434 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.234 -10.008 -12.911 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.926 -9.327 -15.237 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.252 -8.904 -14.936 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.533 -7.186 -14.658 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.873 -6.800 -14.248 1.00 0.00 H new ATOM 157 N VAL A 18 11.386 -8.615 -12.253 1.00 0.00 N ATOM 158 CA VAL A 18 12.792 -8.950 -12.104 1.00 0.00 C ATOM 159 C VAL A 18 13.030 -9.524 -10.706 1.00 0.00 C ATOM 160 O VAL A 18 13.634 -10.585 -10.561 1.00 0.00 O ATOM 161 CB VAL A 18 13.656 -7.724 -12.403 1.00 0.00 C ATOM 162 CG1 VAL A 18 13.291 -6.558 -11.481 1.00 0.00 C ATOM 163 CG2 VAL A 18 15.144 -8.063 -12.295 1.00 0.00 C ATOM 0 H VAL A 18 11.206 -7.664 -12.576 1.00 0.00 H new ATOM 0 HA VAL A 18 13.080 -9.717 -12.823 1.00 0.00 H new ATOM 0 HB VAL A 18 13.456 -7.415 -13.429 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.920 -5.699 -11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.244 -6.292 -11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.449 -6.852 -10.443 1.00 0.00 H new ATOM 0 HG21 VAL A 18 15.736 -7.174 -12.512 1.00 0.00 H new ATOM 0 HG22 VAL A 18 15.366 -8.409 -11.286 1.00 0.00 H new ATOM 0 HG23 VAL A 18 15.391 -8.848 -13.010 1.00 0.00 H new ATOM 173 N TYR A 19 12.543 -8.796 -9.712 1.00 0.00 N ATOM 174 CA TYR A 19 12.695 -9.219 -8.330 1.00 0.00 C ATOM 175 C TYR A 19 12.008 -10.565 -8.090 1.00 0.00 C ATOM 176 O TYR A 19 12.488 -11.379 -7.303 1.00 0.00 O ATOM 177 CB TYR A 19 12.003 -8.149 -7.483 1.00 0.00 C ATOM 178 CG TYR A 19 12.898 -6.957 -7.134 1.00 0.00 C ATOM 179 CD1 TYR A 19 14.033 -6.706 -7.877 1.00 0.00 C ATOM 180 CD2 TYR A 19 12.569 -6.135 -6.076 1.00 0.00 C ATOM 181 CE1 TYR A 19 14.875 -5.584 -7.548 1.00 0.00 C ATOM 182 CE2 TYR A 19 13.411 -5.013 -5.747 1.00 0.00 C ATOM 183 CZ TYR A 19 14.522 -4.794 -6.499 1.00 0.00 C ATOM 184 OH TYR A 19 15.317 -3.735 -6.189 1.00 0.00 O ATOM 0 H TYR A 19 12.043 -7.916 -9.836 1.00 0.00 H new ATOM 0 HA TYR A 19 13.749 -9.335 -8.078 1.00 0.00 H new ATOM 0 HB2 TYR A 19 11.126 -7.787 -8.019 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.647 -8.605 -6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 19 14.290 -7.350 -8.705 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.681 -6.332 -5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 19 15.766 -5.375 -8.121 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.165 -4.361 -4.922 1.00 0.00 H new ATOM 0 HH TYR A 19 15.089 -2.975 -6.765 1.00 0.00 H new ATOM 194 N GLU A 20 10.896 -10.757 -8.783 1.00 0.00 N ATOM 195 CA GLU A 20 10.138 -11.991 -8.655 1.00 0.00 C ATOM 196 C GLU A 20 11.047 -13.199 -8.893 1.00 0.00 C ATOM 197 O GLU A 20 10.894 -14.232 -8.244 1.00 0.00 O ATOM 198 CB GLU A 20 8.946 -12.004 -9.614 1.00 0.00 C ATOM 199 CG GLU A 20 7.626 -12.085 -8.845 1.00 0.00 C ATOM 200 CD GLU A 20 7.018 -13.486 -8.945 1.00 0.00 C ATOM 201 OE1 GLU A 20 5.986 -13.669 -9.607 1.00 0.00 O ATOM 202 OE2 GLU A 20 7.659 -14.405 -8.305 1.00 0.00 O ATOM 0 H GLU A 20 10.501 -10.079 -9.435 1.00 0.00 H new ATOM 0 HA GLU A 20 9.746 -12.050 -7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.959 -11.104 -10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.029 -12.854 -10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.795 -11.832 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.924 -11.351 -9.241 1.00 0.00 H new ATOM 210 N LYS A 21 11.973 -13.028 -9.825 1.00 0.00 N ATOM 211 CA LYS A 21 12.906 -14.091 -10.157 1.00 0.00 C ATOM 212 C LYS A 21 13.727 -14.449 -8.916 1.00 0.00 C ATOM 213 O LYS A 21 13.981 -15.623 -8.653 1.00 0.00 O ATOM 214 CB LYS A 21 13.757 -13.699 -11.366 1.00 0.00 C ATOM 215 CG LYS A 21 15.234 -13.585 -10.983 1.00 0.00 C ATOM 216 CD LYS A 21 16.084 -13.181 -12.189 1.00 0.00 C ATOM 217 CE LYS A 21 17.182 -14.212 -12.457 1.00 0.00 C ATOM 218 NZ LYS A 21 18.336 -13.987 -11.557 1.00 0.00 N ATOM 0 H LYS A 21 12.097 -12.169 -10.361 1.00 0.00 H new ATOM 0 HA LYS A 21 12.368 -14.991 -10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.638 -14.442 -12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.407 -12.748 -11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.351 -12.849 -10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.586 -14.538 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.449 -13.084 -13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.533 -12.204 -12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.789 -15.218 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.505 -14.146 -13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.072 -14.695 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.721 -13.034 -11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.027 -14.073 -10.568 1.00 0.00 H new ATOM 229 N TYR A 22 14.119 -13.414 -8.187 1.00 0.00 N ATOM 230 CA TYR A 22 14.906 -13.604 -6.981 1.00 0.00 C ATOM 231 C TYR A 22 14.035 -14.122 -5.834 1.00 0.00 C ATOM 232 O TYR A 22 14.421 -15.052 -5.128 1.00 0.00 O ATOM 233 CB TYR A 22 15.449 -12.223 -6.609 1.00 0.00 C ATOM 234 CG TYR A 22 16.466 -11.665 -7.607 1.00 0.00 C ATOM 235 CD1 TYR A 22 16.035 -10.925 -8.690 1.00 0.00 C ATOM 236 CD2 TYR A 22 17.813 -11.902 -7.425 1.00 0.00 C ATOM 237 CE1 TYR A 22 16.992 -10.400 -9.629 1.00 0.00 C ATOM 238 CE2 TYR A 22 18.770 -11.377 -8.365 1.00 0.00 C ATOM 239 CZ TYR A 22 18.312 -10.652 -9.420 1.00 0.00 C ATOM 240 OH TYR A 22 19.216 -10.156 -10.308 1.00 0.00 O ATOM 0 H TYR A 22 13.906 -12.441 -8.409 1.00 0.00 H new ATOM 0 HA TYR A 22 15.699 -14.333 -7.151 1.00 0.00 H new ATOM 0 HB2 TYR A 22 14.615 -11.526 -6.527 1.00 0.00 H new ATOM 0 HB3 TYR A 22 15.914 -12.280 -5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 22 14.981 -10.740 -8.833 1.00 0.00 H new ATOM 0 HD2 TYR A 22 18.150 -12.481 -6.578 1.00 0.00 H new ATOM 0 HE1 TYR A 22 16.669 -9.819 -10.480 1.00 0.00 H new ATOM 0 HE2 TYR A 22 19.827 -11.555 -8.235 1.00 0.00 H new ATOM 0 HH TYR A 22 18.804 -10.097 -11.195 1.00 0.00 H new ATOM 250 N TYR A 23 12.876 -13.497 -5.685 1.00 0.00 N ATOM 251 CA TYR A 23 11.948 -13.883 -4.636 1.00 0.00 C ATOM 252 C TYR A 23 11.629 -15.378 -4.709 1.00 0.00 C ATOM 253 O TYR A 23 11.331 -16.003 -3.692 1.00 0.00 O ATOM 254 CB TYR A 23 10.667 -13.087 -4.893 1.00 0.00 C ATOM 255 CG TYR A 23 9.403 -13.744 -4.334 1.00 0.00 C ATOM 256 CD1 TYR A 23 9.083 -13.599 -2.999 1.00 0.00 C ATOM 257 CD2 TYR A 23 8.584 -14.481 -5.164 1.00 0.00 C ATOM 258 CE1 TYR A 23 7.894 -14.217 -2.472 1.00 0.00 C ATOM 259 CE2 TYR A 23 7.395 -15.100 -4.637 1.00 0.00 C ATOM 260 CZ TYR A 23 7.108 -14.937 -3.318 1.00 0.00 C ATOM 261 OH TYR A 23 5.985 -15.521 -2.820 1.00 0.00 O ATOM 0 H TYR A 23 12.559 -12.726 -6.273 1.00 0.00 H new ATOM 0 HA TYR A 23 12.375 -13.683 -3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.773 -12.095 -4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.547 -12.948 -5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.725 -13.022 -2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.834 -14.594 -6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.632 -14.112 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.746 -15.681 -5.275 1.00 0.00 H new ATOM 0 HH TYR A 23 5.521 -16.002 -3.537 1.00 0.00 H new ATOM 271 N ARG A 24 11.702 -15.907 -5.921 1.00 0.00 N ATOM 272 CA ARG A 24 11.424 -17.317 -6.140 1.00 0.00 C ATOM 273 C ARG A 24 12.708 -18.137 -6.006 1.00 0.00 C ATOM 274 O ARG A 24 12.657 -19.341 -5.757 1.00 0.00 O ATOM 275 CB ARG A 24 10.820 -17.550 -7.526 1.00 0.00 C ATOM 276 CG ARG A 24 10.317 -18.988 -7.670 1.00 0.00 C ATOM 277 CD ARG A 24 11.397 -19.889 -8.273 1.00 0.00 C ATOM 278 NE ARG A 24 10.903 -20.500 -9.528 1.00 0.00 N ATOM 279 CZ ARG A 24 10.137 -21.610 -9.578 1.00 0.00 C ATOM 280 NH1 ARG A 24 9.770 -22.241 -8.442 1.00 0.00 N ATOM 281 NH2 ARG A 24 9.752 -22.070 -10.754 1.00 0.00 N ATOM 0 H ARG A 24 11.950 -15.385 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 24 10.705 -17.635 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.997 -16.855 -7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.568 -17.344 -8.292 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.021 -19.373 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.429 -19.005 -8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.298 -19.308 -8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.671 -20.669 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 24 11.157 -20.054 -10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.072 -21.879 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.191 -23.079 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.034 -21.588 -11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.173 -22.908 -10.809 1.00 0.00 H new ATOM 294 N GLN A 25 13.830 -17.454 -6.177 1.00 0.00 N ATOM 295 CA GLN A 25 15.126 -18.105 -6.079 1.00 0.00 C ATOM 296 C GLN A 25 15.336 -18.656 -4.667 1.00 0.00 C ATOM 297 O GLN A 25 15.935 -19.717 -4.495 1.00 0.00 O ATOM 298 CB GLN A 25 16.252 -17.145 -6.466 1.00 0.00 C ATOM 299 CG GLN A 25 16.678 -17.357 -7.921 1.00 0.00 C ATOM 300 CD GLN A 25 18.177 -17.644 -8.017 1.00 0.00 C ATOM 301 OE1 GLN A 25 18.624 -18.511 -8.749 1.00 0.00 O ATOM 302 NE2 GLN A 25 18.927 -16.869 -7.239 1.00 0.00 N ATOM 0 H GLN A 25 13.869 -16.456 -6.383 1.00 0.00 H new ATOM 0 HA GLN A 25 15.147 -18.939 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.921 -16.116 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 25 17.107 -17.297 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.117 -18.187 -8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.435 -16.471 -8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 25 18.489 -16.161 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 25 19.941 -16.982 -7.232 1.00 0.00 H new ATOM 311 N VAL A 26 14.832 -17.912 -3.694 1.00 0.00 N ATOM 312 CA VAL A 26 14.958 -18.313 -2.303 1.00 0.00 C ATOM 313 C VAL A 26 13.937 -19.412 -2.000 1.00 0.00 C ATOM 314 O VAL A 26 14.206 -20.312 -1.206 1.00 0.00 O ATOM 315 CB VAL A 26 14.813 -17.093 -1.391 1.00 0.00 C ATOM 316 CG1 VAL A 26 15.366 -15.836 -2.065 1.00 0.00 C ATOM 317 CG2 VAL A 26 13.356 -16.894 -0.970 1.00 0.00 C ATOM 0 H VAL A 26 14.335 -17.033 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 26 15.948 -18.727 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 26 15.400 -17.276 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.251 -14.984 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.423 -15.979 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.819 -15.648 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.280 -16.021 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.739 -16.744 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.009 -17.776 -0.432 1.00 0.00 H new ATOM 327 N GLU A 27 12.786 -19.301 -2.647 1.00 0.00 N ATOM 328 CA GLU A 27 11.724 -20.273 -2.456 1.00 0.00 C ATOM 329 C GLU A 27 12.290 -21.694 -2.500 1.00 0.00 C ATOM 330 O GLU A 27 13.204 -21.978 -3.273 1.00 0.00 O ATOM 331 CB GLU A 27 10.619 -20.090 -3.499 1.00 0.00 C ATOM 332 CG GLU A 27 9.483 -21.090 -3.276 1.00 0.00 C ATOM 333 CD GLU A 27 9.275 -21.969 -4.511 1.00 0.00 C ATOM 334 OE1 GLU A 27 9.701 -21.598 -5.615 1.00 0.00 O ATOM 335 OE2 GLU A 27 8.646 -23.074 -4.294 1.00 0.00 O ATOM 0 H GLU A 27 12.566 -18.552 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 27 11.281 -20.110 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.229 -19.074 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.033 -20.221 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.710 -21.717 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.562 -20.554 -3.047 1.00 0.00 H new ATOM 343 N ALA A 28 11.723 -22.549 -1.662 1.00 0.00 N ATOM 344 CA ALA A 28 12.160 -23.933 -1.595 1.00 0.00 C ATOM 345 C ALA A 28 10.985 -24.851 -1.939 1.00 0.00 C ATOM 346 O ALA A 28 9.831 -24.508 -1.688 1.00 0.00 O ATOM 347 CB ALA A 28 12.738 -24.220 -0.208 1.00 0.00 C ATOM 0 H ALA A 28 10.964 -22.310 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 28 12.950 -24.122 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 28 13.066 -25.258 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.588 -23.562 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.973 -24.044 0.548 1.00 0.00 H new ATOM 353 N GLY A 29 11.320 -26.000 -2.508 1.00 0.00 N ATOM 354 CA GLY A 29 10.307 -26.970 -2.888 1.00 0.00 C ATOM 355 C GLY A 29 9.586 -26.537 -4.167 1.00 0.00 C ATOM 356 O GLY A 29 9.981 -25.564 -4.807 1.00 0.00 O ATOM 0 H GLY A 29 12.278 -26.281 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.770 -27.945 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.585 -27.083 -2.079 1.00 0.00 H new ATOM 360 N ASN A 30 8.542 -27.281 -4.500 1.00 0.00 N ATOM 361 CA ASN A 30 7.762 -26.986 -5.690 1.00 0.00 C ATOM 362 C ASN A 30 6.328 -26.640 -5.282 1.00 0.00 C ATOM 363 O ASN A 30 5.374 -27.171 -5.848 1.00 0.00 O ATOM 364 CB ASN A 30 7.709 -28.194 -6.627 1.00 0.00 C ATOM 365 CG ASN A 30 8.896 -28.192 -7.592 1.00 0.00 C ATOM 366 OD1 ASN A 30 10.043 -28.352 -7.207 1.00 0.00 O ATOM 367 ND2 ASN A 30 8.558 -28.003 -8.864 1.00 0.00 N ATOM 0 H ASN A 30 8.218 -28.088 -3.967 1.00 0.00 H new ATOM 0 HA ASN A 30 8.236 -26.151 -6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.713 -29.113 -6.041 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.777 -28.180 -7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.278 -27.986 -9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.578 -27.876 -9.118 1.00 0.00 H new ATOM 374 N THR A 31 6.223 -25.753 -4.304 1.00 0.00 N ATOM 375 CA THR A 31 4.922 -25.330 -3.815 1.00 0.00 C ATOM 376 C THR A 31 4.617 -23.903 -4.275 1.00 0.00 C ATOM 377 O THR A 31 3.455 -23.537 -4.445 1.00 0.00 O ATOM 378 CB THR A 31 4.913 -25.493 -2.294 1.00 0.00 C ATOM 379 OG1 THR A 31 5.978 -24.656 -1.849 1.00 0.00 O ATOM 380 CG2 THR A 31 5.333 -26.896 -1.852 1.00 0.00 C ATOM 0 H THR A 31 7.017 -25.316 -3.837 1.00 0.00 H new ATOM 0 HA THR A 31 4.125 -25.948 -4.228 1.00 0.00 H new ATOM 0 HB THR A 31 3.915 -25.276 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.042 -24.700 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.309 -26.957 -0.764 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.646 -27.631 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.344 -27.101 -2.205 1.00 0.00 H new ATOM 388 N GLY A 32 5.681 -23.136 -4.464 1.00 0.00 N ATOM 389 CA GLY A 32 5.541 -21.758 -4.901 1.00 0.00 C ATOM 390 C GLY A 32 5.443 -20.810 -3.704 1.00 0.00 C ATOM 391 O GLY A 32 4.831 -19.747 -3.797 1.00 0.00 O ATOM 0 H GLY A 32 6.643 -23.443 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.394 -21.481 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.651 -21.658 -5.522 1.00 0.00 H new ATOM 395 N ARG A 33 6.056 -21.229 -2.606 1.00 0.00 N ATOM 396 CA ARG A 33 6.045 -20.431 -1.392 1.00 0.00 C ATOM 397 C ARG A 33 7.460 -20.316 -0.820 1.00 0.00 C ATOM 398 O ARG A 33 8.219 -21.284 -0.834 1.00 0.00 O ATOM 399 CB ARG A 33 5.124 -21.046 -0.337 1.00 0.00 C ATOM 400 CG ARG A 33 3.659 -20.714 -0.627 1.00 0.00 C ATOM 401 CD ARG A 33 2.908 -20.376 0.663 1.00 0.00 C ATOM 402 NE ARG A 33 1.800 -21.336 0.869 1.00 0.00 N ATOM 403 CZ ARG A 33 1.969 -22.609 1.284 1.00 0.00 C ATOM 404 NH1 ARG A 33 3.205 -23.087 1.542 1.00 0.00 N ATOM 405 NH2 ARG A 33 0.908 -23.379 1.435 1.00 0.00 N ATOM 0 H ARG A 33 6.563 -22.111 -2.532 1.00 0.00 H new ATOM 0 HA ARG A 33 5.672 -19.440 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.258 -22.127 -0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.396 -20.673 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.603 -19.871 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.181 -21.561 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.592 -20.409 1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.515 -19.361 0.610 1.00 0.00 H new ATOM 0 HE ARG A 33 0.849 -21.015 0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.020 -22.485 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.324 -24.050 1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.022 -23.010 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.018 -24.344 1.748 1.00 0.00 H new ATOM 418 N VAL A 34 7.771 -19.125 -0.332 1.00 0.00 N ATOM 419 CA VAL A 34 9.081 -18.871 0.244 1.00 0.00 C ATOM 420 C VAL A 34 9.097 -19.351 1.697 1.00 0.00 C ATOM 421 O VAL A 34 8.365 -18.826 2.535 1.00 0.00 O ATOM 422 CB VAL A 34 9.439 -17.391 0.099 1.00 0.00 C ATOM 423 CG1 VAL A 34 10.715 -17.056 0.873 1.00 0.00 C ATOM 424 CG2 VAL A 34 9.573 -17.001 -1.374 1.00 0.00 C ATOM 0 H VAL A 34 7.139 -18.325 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 34 9.848 -19.431 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 34 8.625 -16.807 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.946 -15.998 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.568 -17.277 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.541 -17.654 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.828 -15.944 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.358 -17.597 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.628 -17.183 -1.886 1.00 0.00 H new ATOM 434 N LEU A 35 9.938 -20.342 1.950 1.00 0.00 N ATOM 435 CA LEU A 35 10.059 -20.898 3.287 1.00 0.00 C ATOM 436 C LEU A 35 10.523 -19.803 4.250 1.00 0.00 C ATOM 437 O LEU A 35 10.477 -19.981 5.466 1.00 0.00 O ATOM 438 CB LEU A 35 10.964 -22.131 3.275 1.00 0.00 C ATOM 439 CG LEU A 35 10.278 -23.470 3.553 1.00 0.00 C ATOM 440 CD1 LEU A 35 11.209 -24.640 3.230 1.00 0.00 C ATOM 441 CD2 LEU A 35 9.758 -23.532 4.990 1.00 0.00 C ATOM 0 H LEU A 35 10.543 -20.775 1.252 1.00 0.00 H new ATOM 0 HA LEU A 35 9.090 -21.247 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.451 -22.190 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.750 -21.987 4.016 1.00 0.00 H new ATOM 0 HG LEU A 35 9.414 -23.554 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.697 -25.580 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.489 -24.603 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.106 -24.572 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.275 -24.494 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.591 -23.416 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.037 -22.730 5.151 1.00 0.00 H new ATOM 453 N ALA A 36 10.959 -18.695 3.670 1.00 0.00 N ATOM 454 CA ALA A 36 11.432 -17.572 4.461 1.00 0.00 C ATOM 455 C ALA A 36 12.902 -17.791 4.824 1.00 0.00 C ATOM 456 O ALA A 36 13.752 -16.958 4.514 1.00 0.00 O ATOM 457 CB ALA A 36 10.544 -17.409 5.697 1.00 0.00 C ATOM 0 H ALA A 36 10.995 -18.551 2.661 1.00 0.00 H new ATOM 0 HA ALA A 36 11.369 -16.646 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.898 -16.567 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.516 -17.226 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.585 -18.318 6.297 1.00 0.00 H new ATOM 463 N LEU A 37 13.156 -18.917 5.475 1.00 0.00 N ATOM 464 CA LEU A 37 14.509 -19.256 5.883 1.00 0.00 C ATOM 465 C LEU A 37 15.472 -18.970 4.729 1.00 0.00 C ATOM 466 O LEU A 37 16.541 -18.399 4.935 1.00 0.00 O ATOM 467 CB LEU A 37 14.569 -20.698 6.392 1.00 0.00 C ATOM 468 CG LEU A 37 14.458 -20.879 7.907 1.00 0.00 C ATOM 469 CD1 LEU A 37 12.994 -20.956 8.344 1.00 0.00 C ATOM 470 CD2 LEU A 37 15.260 -22.096 8.373 1.00 0.00 C ATOM 0 H LEU A 37 12.448 -19.606 5.730 1.00 0.00 H new ATOM 0 HA LEU A 37 14.822 -18.633 6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.766 -21.263 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.509 -21.141 6.061 1.00 0.00 H new ATOM 0 HG LEU A 37 14.892 -20.003 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.943 -21.085 9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.482 -20.036 8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.512 -21.803 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.165 -22.203 9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.878 -22.992 7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.310 -21.961 8.113 1.00 0.00 H new ATOM 482 N ASP A 38 15.057 -19.381 3.539 1.00 0.00 N ATOM 483 CA ASP A 38 15.870 -19.176 2.352 1.00 0.00 C ATOM 484 C ASP A 38 16.001 -17.676 2.082 1.00 0.00 C ATOM 485 O ASP A 38 17.075 -17.199 1.716 1.00 0.00 O ATOM 486 CB ASP A 38 15.225 -19.823 1.125 1.00 0.00 C ATOM 487 CG ASP A 38 15.980 -21.026 0.556 1.00 0.00 C ATOM 488 OD1 ASP A 38 17.200 -20.973 0.345 1.00 0.00 O ATOM 489 OD2 ASP A 38 15.252 -22.066 0.325 1.00 0.00 O ATOM 0 H ASP A 38 14.169 -19.855 3.372 1.00 0.00 H new ATOM 0 HA ASP A 38 16.845 -19.630 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.215 -20.138 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.130 -19.069 0.343 1.00 0.00 H new ATOM 495 N ALA A 39 14.894 -16.974 2.272 1.00 0.00 N ATOM 496 CA ALA A 39 14.872 -15.537 2.053 1.00 0.00 C ATOM 497 C ALA A 39 15.936 -14.876 2.932 1.00 0.00 C ATOM 498 O ALA A 39 16.655 -13.986 2.479 1.00 0.00 O ATOM 499 CB ALA A 39 13.468 -14.999 2.334 1.00 0.00 C ATOM 0 H ALA A 39 14.006 -17.373 2.575 1.00 0.00 H new ATOM 0 HA ALA A 39 15.109 -15.303 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.452 -13.922 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.754 -15.479 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.197 -15.213 3.368 1.00 0.00 H new ATOM 505 N ALA A 40 16.004 -15.336 4.172 1.00 0.00 N ATOM 506 CA ALA A 40 16.968 -14.800 5.118 1.00 0.00 C ATOM 507 C ALA A 40 18.383 -15.119 4.633 1.00 0.00 C ATOM 508 O ALA A 40 19.342 -14.454 5.022 1.00 0.00 O ATOM 509 CB ALA A 40 16.687 -15.368 6.511 1.00 0.00 C ATOM 0 H ALA A 40 15.407 -16.075 4.544 1.00 0.00 H new ATOM 0 HA ALA A 40 16.879 -13.716 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 40 17.410 -14.966 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 40 15.680 -15.089 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 40 16.770 -16.454 6.485 1.00 0.00 H new ATOM 515 N ALA A 41 18.470 -16.138 3.790 1.00 0.00 N ATOM 516 CA ALA A 41 19.752 -16.554 3.248 1.00 0.00 C ATOM 517 C ALA A 41 20.103 -15.674 2.047 1.00 0.00 C ATOM 518 O ALA A 41 21.209 -15.143 1.963 1.00 0.00 O ATOM 519 CB ALA A 41 19.696 -18.040 2.886 1.00 0.00 C ATOM 0 H ALA A 41 17.673 -16.688 3.469 1.00 0.00 H new ATOM 0 HA ALA A 41 20.541 -16.429 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 41 20.658 -18.352 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 41 19.473 -18.624 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 41 18.917 -18.204 2.141 1.00 0.00 H new ATOM 525 N PHE A 42 19.139 -15.546 1.146 1.00 0.00 N ATOM 526 CA PHE A 42 19.332 -14.739 -0.046 1.00 0.00 C ATOM 527 C PHE A 42 19.575 -13.272 0.317 1.00 0.00 C ATOM 528 O PHE A 42 20.348 -12.584 -0.348 1.00 0.00 O ATOM 529 CB PHE A 42 18.046 -14.842 -0.869 1.00 0.00 C ATOM 530 CG PHE A 42 17.968 -13.847 -2.029 1.00 0.00 C ATOM 531 CD1 PHE A 42 18.753 -14.019 -3.126 1.00 0.00 C ATOM 532 CD2 PHE A 42 17.113 -12.792 -1.963 1.00 0.00 C ATOM 533 CE1 PHE A 42 18.681 -13.096 -4.203 1.00 0.00 C ATOM 534 CE2 PHE A 42 17.041 -11.869 -3.040 1.00 0.00 C ATOM 535 CZ PHE A 42 17.826 -12.040 -4.137 1.00 0.00 C ATOM 0 H PHE A 42 18.223 -15.988 1.218 1.00 0.00 H new ATOM 0 HA PHE A 42 20.200 -15.096 -0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.961 -15.854 -1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.192 -14.684 -0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.431 -14.858 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.489 -12.656 -1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.305 -13.232 -5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 42 16.362 -11.031 -2.988 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.771 -11.338 -4.956 1.00 0.00 H new ATOM 545 N LEU A 43 18.899 -12.837 1.370 1.00 0.00 N ATOM 546 CA LEU A 43 19.032 -11.465 1.830 1.00 0.00 C ATOM 547 C LEU A 43 20.438 -11.255 2.395 1.00 0.00 C ATOM 548 O LEU A 43 21.107 -10.280 2.056 1.00 0.00 O ATOM 549 CB LEU A 43 17.915 -11.121 2.817 1.00 0.00 C ATOM 550 CG LEU A 43 16.510 -10.999 2.224 1.00 0.00 C ATOM 551 CD1 LEU A 43 15.441 -11.185 3.304 1.00 0.00 C ATOM 552 CD2 LEU A 43 16.343 -9.676 1.475 1.00 0.00 C ATOM 0 H LEU A 43 18.257 -13.410 1.918 1.00 0.00 H new ATOM 0 HA LEU A 43 18.916 -10.771 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.895 -11.886 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.165 -10.179 3.304 1.00 0.00 H new ATOM 0 HG LEU A 43 16.376 -11.799 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.451 -11.094 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.546 -12.172 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.563 -10.422 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.335 -9.615 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.505 -8.846 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.070 -9.623 0.664 1.00 0.00 H new ATOM 564 N LYS A 44 20.845 -12.185 3.246 1.00 0.00 N ATOM 565 CA LYS A 44 22.160 -12.114 3.860 1.00 0.00 C ATOM 566 C LYS A 44 23.213 -11.878 2.776 1.00 0.00 C ATOM 567 O LYS A 44 24.297 -11.370 3.059 1.00 0.00 O ATOM 568 CB LYS A 44 22.421 -13.358 4.712 1.00 0.00 C ATOM 569 CG LYS A 44 22.940 -14.512 3.851 1.00 0.00 C ATOM 570 CD LYS A 44 24.317 -14.976 4.329 1.00 0.00 C ATOM 571 CE LYS A 44 24.576 -16.429 3.926 1.00 0.00 C ATOM 572 NZ LYS A 44 25.965 -16.593 3.442 1.00 0.00 N ATOM 0 H LYS A 44 20.287 -12.992 3.525 1.00 0.00 H new ATOM 0 HA LYS A 44 22.215 -11.269 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 44 23.148 -13.125 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.502 -13.659 5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.238 -15.345 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.000 -14.195 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 44 25.089 -14.334 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 44 24.382 -14.878 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 44 24.402 -17.086 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 44 23.875 -16.727 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 26.124 -17.585 3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 26.119 -15.981 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 26.629 -16.329 4.197 1.00 0.00 H new ATOM 583 N LYS A 45 22.857 -12.258 1.558 1.00 0.00 N ATOM 584 CA LYS A 45 23.758 -12.095 0.430 1.00 0.00 C ATOM 585 C LYS A 45 24.040 -10.606 0.219 1.00 0.00 C ATOM 586 O LYS A 45 24.976 -10.242 -0.491 1.00 0.00 O ATOM 587 CB LYS A 45 23.198 -12.796 -0.810 1.00 0.00 C ATOM 588 CG LYS A 45 22.783 -14.232 -0.486 1.00 0.00 C ATOM 589 CD LYS A 45 22.606 -15.053 -1.765 1.00 0.00 C ATOM 590 CE LYS A 45 22.944 -16.526 -1.523 1.00 0.00 C ATOM 591 NZ LYS A 45 24.393 -16.762 -1.703 1.00 0.00 N ATOM 0 H LYS A 45 21.957 -12.678 1.327 1.00 0.00 H new ATOM 0 HA LYS A 45 24.715 -12.576 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 45 22.339 -12.242 -1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 45 23.949 -12.800 -1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 45 23.537 -14.698 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 45 21.851 -14.226 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.579 -14.965 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 45 23.248 -14.653 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.646 -16.813 -0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.379 -17.153 -2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.605 -17.766 -1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.668 -16.508 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.926 -16.178 -1.028 1.00 0.00 H new ATOM 602 N SER A 46 23.212 -9.785 0.849 1.00 0.00 N ATOM 603 CA SER A 46 23.361 -8.344 0.740 1.00 0.00 C ATOM 604 C SER A 46 24.762 -7.926 1.190 1.00 0.00 C ATOM 605 O SER A 46 25.569 -7.473 0.379 1.00 0.00 O ATOM 606 CB SER A 46 22.299 -7.616 1.568 1.00 0.00 C ATOM 607 OG SER A 46 22.533 -7.745 2.968 1.00 0.00 O ATOM 0 H SER A 46 22.436 -10.091 1.436 1.00 0.00 H new ATOM 0 HA SER A 46 23.224 -8.065 -0.305 1.00 0.00 H new ATOM 0 HB2 SER A 46 22.289 -6.560 1.298 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.314 -8.016 1.327 1.00 0.00 H new ATOM 0 HG SER A 46 22.209 -8.617 3.275 1.00 0.00 H new ATOM 613 N GLY A 47 25.010 -8.095 2.480 1.00 0.00 N ATOM 614 CA GLY A 47 26.300 -7.741 3.047 1.00 0.00 C ATOM 615 C GLY A 47 26.156 -7.300 4.505 1.00 0.00 C ATOM 616 O GLY A 47 27.129 -7.306 5.258 1.00 0.00 O ATOM 0 H GLY A 47 24.339 -8.473 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.974 -8.595 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.750 -6.938 2.463 1.00 0.00 H new ATOM 620 N LEU A 48 24.935 -6.929 4.860 1.00 0.00 N ATOM 621 CA LEU A 48 24.651 -6.487 6.215 1.00 0.00 C ATOM 622 C LEU A 48 24.772 -7.675 7.171 1.00 0.00 C ATOM 623 O LEU A 48 24.718 -8.827 6.745 1.00 0.00 O ATOM 624 CB LEU A 48 23.293 -5.784 6.275 1.00 0.00 C ATOM 625 CG LEU A 48 23.265 -4.335 5.786 1.00 0.00 C ATOM 626 CD1 LEU A 48 21.835 -3.890 5.472 1.00 0.00 C ATOM 627 CD2 LEU A 48 23.946 -3.404 6.791 1.00 0.00 C ATOM 0 H LEU A 48 24.131 -6.925 4.233 1.00 0.00 H new ATOM 0 HA LEU A 48 25.383 -5.745 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.582 -6.360 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.941 -5.805 7.306 1.00 0.00 H new ATOM 0 HG LEU A 48 23.832 -4.277 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.843 -2.856 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.418 -4.529 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.224 -3.967 6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.912 -2.380 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 48 23.427 -3.460 7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.984 -3.708 6.923 1.00 0.00 H new ATOM 639 N PRO A 49 24.937 -7.345 8.480 1.00 0.00 N ATOM 640 CA PRO A 49 25.067 -8.371 9.500 1.00 0.00 C ATOM 641 C PRO A 49 23.714 -9.020 9.799 1.00 0.00 C ATOM 642 O PRO A 49 22.679 -8.555 9.323 1.00 0.00 O ATOM 643 CB PRO A 49 25.662 -7.658 10.703 1.00 0.00 C ATOM 644 CG PRO A 49 25.413 -6.176 10.474 1.00 0.00 C ATOM 645 CD PRO A 49 25.006 -5.990 9.021 1.00 0.00 C ATOM 0 HA PRO A 49 25.707 -9.196 9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.193 -7.995 11.628 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.728 -7.866 10.792 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.629 -5.813 11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.311 -5.599 10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.045 -5.482 8.941 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.733 -5.384 8.480 1.00 0.00 H new ATOM 653 N ASP A 50 23.765 -10.084 10.587 1.00 0.00 N ATOM 654 CA ASP A 50 22.557 -10.802 10.956 1.00 0.00 C ATOM 655 C ASP A 50 21.796 -10.001 12.015 1.00 0.00 C ATOM 656 O ASP A 50 20.571 -10.079 12.096 1.00 0.00 O ATOM 657 CB ASP A 50 22.889 -12.173 11.547 1.00 0.00 C ATOM 658 CG ASP A 50 22.768 -13.345 10.571 1.00 0.00 C ATOM 659 OD1 ASP A 50 22.597 -13.151 9.358 1.00 0.00 O ATOM 660 OD2 ASP A 50 22.857 -14.514 11.109 1.00 0.00 O ATOM 0 H ASP A 50 24.625 -10.466 10.980 1.00 0.00 H new ATOM 0 HA ASP A 50 21.956 -10.934 10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 50 23.907 -12.147 11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 50 22.229 -12.356 12.395 1.00 0.00 H new ATOM 666 N LEU A 51 22.555 -9.250 12.800 1.00 0.00 N ATOM 667 CA LEU A 51 21.968 -8.436 13.851 1.00 0.00 C ATOM 668 C LEU A 51 20.994 -7.433 13.230 1.00 0.00 C ATOM 669 O LEU A 51 19.797 -7.468 13.509 1.00 0.00 O ATOM 670 CB LEU A 51 23.062 -7.787 14.700 1.00 0.00 C ATOM 671 CG LEU A 51 22.836 -6.322 15.080 1.00 0.00 C ATOM 672 CD1 LEU A 51 21.587 -6.168 15.951 1.00 0.00 C ATOM 673 CD2 LEU A 51 24.078 -5.731 15.750 1.00 0.00 C ATOM 0 H LEU A 51 23.571 -9.188 12.729 1.00 0.00 H new ATOM 0 HA LEU A 51 21.392 -9.057 14.537 1.00 0.00 H new ATOM 0 HB2 LEU A 51 23.175 -8.366 15.617 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.005 -7.860 14.159 1.00 0.00 H new ATOM 0 HG LEU A 51 22.663 -5.755 14.165 1.00 0.00 H new ATOM 0 HD11 LEU A 51 21.449 -5.117 16.207 1.00 0.00 H new ATOM 0 HD12 LEU A 51 20.715 -6.525 15.403 1.00 0.00 H new ATOM 0 HD13 LEU A 51 21.706 -6.751 16.864 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.890 -4.689 16.010 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.307 -6.295 16.654 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.923 -5.787 15.064 1.00 0.00 H new ATOM 685 N ILE A 52 21.545 -6.561 12.397 1.00 0.00 N ATOM 686 CA ILE A 52 20.740 -5.549 11.734 1.00 0.00 C ATOM 687 C ILE A 52 19.613 -6.230 10.956 1.00 0.00 C ATOM 688 O ILE A 52 18.503 -5.704 10.876 1.00 0.00 O ATOM 689 CB ILE A 52 21.622 -4.643 10.872 1.00 0.00 C ATOM 690 CG1 ILE A 52 22.710 -3.974 11.716 1.00 0.00 C ATOM 691 CG2 ILE A 52 20.778 -3.621 10.109 1.00 0.00 C ATOM 692 CD1 ILE A 52 22.172 -2.720 12.409 1.00 0.00 C ATOM 0 H ILE A 52 22.538 -6.535 12.167 1.00 0.00 H new ATOM 0 HA ILE A 52 20.271 -4.894 12.468 1.00 0.00 H new ATOM 0 HB ILE A 52 22.126 -5.262 10.129 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.079 -4.677 12.463 1.00 0.00 H new ATOM 0 HG13 ILE A 52 23.556 -3.709 11.082 1.00 0.00 H new ATOM 0 HG21 ILE A 52 21.429 -2.990 9.504 1.00 0.00 H new ATOM 0 HG22 ILE A 52 20.074 -4.142 9.460 1.00 0.00 H new ATOM 0 HG23 ILE A 52 20.228 -3.001 10.818 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.965 -2.264 13.002 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.826 -2.010 11.658 1.00 0.00 H new ATOM 0 HD13 ILE A 52 21.342 -2.992 13.061 1.00 0.00 H new ATOM 704 N LEU A 53 19.936 -7.389 10.401 1.00 0.00 N ATOM 705 CA LEU A 53 18.964 -8.147 9.632 1.00 0.00 C ATOM 706 C LEU A 53 17.821 -8.584 10.551 1.00 0.00 C ATOM 707 O LEU A 53 16.650 -8.421 10.211 1.00 0.00 O ATOM 708 CB LEU A 53 19.644 -9.308 8.904 1.00 0.00 C ATOM 709 CG LEU A 53 20.005 -9.061 7.437 1.00 0.00 C ATOM 710 CD1 LEU A 53 20.734 -10.266 6.841 1.00 0.00 C ATOM 711 CD2 LEU A 53 18.765 -8.681 6.625 1.00 0.00 C ATOM 0 H LEU A 53 20.857 -7.821 10.469 1.00 0.00 H new ATOM 0 HA LEU A 53 18.527 -7.524 8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 53 20.556 -9.565 9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 53 18.988 -10.177 8.955 1.00 0.00 H new ATOM 0 HG LEU A 53 20.692 -8.216 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 53 20.979 -10.064 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 53 21.652 -10.449 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.092 -11.145 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.048 -8.511 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.036 -9.490 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.326 -7.771 7.035 1.00 0.00 H new ATOM 723 N GLY A 54 18.201 -9.129 11.697 1.00 0.00 N ATOM 724 CA GLY A 54 17.222 -9.590 12.667 1.00 0.00 C ATOM 725 C GLY A 54 16.074 -8.589 12.806 1.00 0.00 C ATOM 726 O GLY A 54 14.909 -8.979 12.861 1.00 0.00 O ATOM 0 H GLY A 54 19.173 -9.262 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.829 -10.559 12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.703 -9.733 13.634 1.00 0.00 H new ATOM 730 N LYS A 55 16.443 -7.317 12.857 1.00 0.00 N ATOM 731 CA LYS A 55 15.458 -6.257 12.988 1.00 0.00 C ATOM 732 C LYS A 55 14.578 -6.227 11.737 1.00 0.00 C ATOM 733 O LYS A 55 13.363 -6.057 11.832 1.00 0.00 O ATOM 734 CB LYS A 55 16.144 -4.923 13.291 1.00 0.00 C ATOM 735 CG LYS A 55 16.418 -4.774 14.788 1.00 0.00 C ATOM 736 CD LYS A 55 15.692 -3.555 15.360 1.00 0.00 C ATOM 737 CE LYS A 55 15.189 -3.832 16.779 1.00 0.00 C ATOM 738 NZ LYS A 55 14.736 -2.578 17.422 1.00 0.00 N ATOM 0 H LYS A 55 17.410 -6.997 12.810 1.00 0.00 H new ATOM 0 HA LYS A 55 14.800 -6.450 13.835 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.081 -4.858 12.738 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.515 -4.101 12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 55 16.094 -5.673 15.312 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.490 -4.675 14.957 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.365 -2.698 15.370 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.852 -3.293 14.717 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.368 -4.548 16.747 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.984 -4.285 17.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.398 -2.784 18.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.529 -1.906 17.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.963 -2.162 16.865 1.00 0.00 H new ATOM 749 N ILE A 56 15.226 -6.393 10.593 1.00 0.00 N ATOM 750 CA ILE A 56 14.517 -6.387 9.324 1.00 0.00 C ATOM 751 C ILE A 56 13.433 -7.466 9.345 1.00 0.00 C ATOM 752 O ILE A 56 12.265 -7.183 9.083 1.00 0.00 O ATOM 753 CB ILE A 56 15.501 -6.526 8.161 1.00 0.00 C ATOM 754 CG1 ILE A 56 16.434 -5.316 8.084 1.00 0.00 C ATOM 755 CG2 ILE A 56 14.761 -6.765 6.843 1.00 0.00 C ATOM 756 CD1 ILE A 56 17.299 -5.370 6.823 1.00 0.00 C ATOM 0 H ILE A 56 16.234 -6.532 10.518 1.00 0.00 H new ATOM 0 HA ILE A 56 14.013 -5.432 9.173 1.00 0.00 H new ATOM 0 HB ILE A 56 16.125 -7.401 8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 56 15.846 -4.398 8.087 1.00 0.00 H new ATOM 0 HG13 ILE A 56 17.073 -5.288 8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 56 15.483 -6.860 6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 56 14.174 -7.681 6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 56 14.097 -5.924 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 56 17.953 -4.498 6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 56 17.903 -6.277 6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 56 16.658 -5.373 5.942 1.00 0.00 H new ATOM 768 N TRP A 57 13.858 -8.681 9.660 1.00 0.00 N ATOM 769 CA TRP A 57 12.938 -9.804 9.719 1.00 0.00 C ATOM 770 C TRP A 57 11.810 -9.441 10.687 1.00 0.00 C ATOM 771 O TRP A 57 10.637 -9.464 10.316 1.00 0.00 O ATOM 772 CB TRP A 57 13.668 -11.091 10.108 1.00 0.00 C ATOM 773 CG TRP A 57 12.889 -12.369 9.789 1.00 0.00 C ATOM 774 CD1 TRP A 57 12.051 -13.045 10.586 1.00 0.00 C ATOM 775 CD2 TRP A 57 12.910 -13.101 8.545 1.00 0.00 C ATOM 776 NE1 TRP A 57 11.532 -14.155 9.950 1.00 0.00 N ATOM 777 CE2 TRP A 57 12.071 -14.190 8.670 1.00 0.00 C ATOM 778 CE3 TRP A 57 13.614 -12.851 7.354 1.00 0.00 C ATOM 779 CZ2 TRP A 57 11.858 -15.115 7.641 1.00 0.00 C ATOM 780 CZ3 TRP A 57 13.390 -13.785 6.335 1.00 0.00 C ATOM 781 CH2 TRP A 57 12.549 -14.886 6.445 1.00 0.00 C ATOM 0 H TRP A 57 14.827 -8.912 9.877 1.00 0.00 H new ATOM 0 HA TRP A 57 12.505 -10.000 8.738 1.00 0.00 H new ATOM 0 HB2 TRP A 57 14.627 -11.123 9.590 1.00 0.00 H new ATOM 0 HB3 TRP A 57 13.883 -11.066 11.176 1.00 0.00 H new ATOM 0 HD1 TRP A 57 11.811 -12.758 11.599 1.00 0.00 H new ATOM 0 HE1 TRP A 57 10.874 -14.826 10.347 1.00 0.00 H new ATOM 0 HE3 TRP A 57 14.275 -12.006 7.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 11.196 -15.960 7.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 13.907 -13.640 5.398 1.00 0.00 H new ATOM 0 HH2 TRP A 57 12.429 -15.562 5.611 1.00 0.00 H new ATOM 792 N ASP A 58 12.204 -9.114 11.909 1.00 0.00 N ATOM 793 CA ASP A 58 11.240 -8.747 12.933 1.00 0.00 C ATOM 794 C ASP A 58 10.204 -7.794 12.333 1.00 0.00 C ATOM 795 O ASP A 58 9.002 -8.024 12.453 1.00 0.00 O ATOM 796 CB ASP A 58 11.923 -8.029 14.099 1.00 0.00 C ATOM 797 CG ASP A 58 11.264 -8.241 15.463 1.00 0.00 C ATOM 798 OD1 ASP A 58 11.565 -9.212 16.174 1.00 0.00 O ATOM 799 OD2 ASP A 58 10.395 -7.347 15.794 1.00 0.00 O ATOM 0 H ASP A 58 13.177 -9.095 12.213 1.00 0.00 H new ATOM 0 HA ASP A 58 10.769 -9.660 13.297 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.958 -8.364 14.156 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.946 -6.960 13.885 1.00 0.00 H new ATOM 805 N LEU A 59 10.708 -6.744 11.701 1.00 0.00 N ATOM 806 CA LEU A 59 9.841 -5.756 11.082 1.00 0.00 C ATOM 807 C LEU A 59 9.138 -6.384 9.877 1.00 0.00 C ATOM 808 O LEU A 59 8.030 -5.985 9.523 1.00 0.00 O ATOM 809 CB LEU A 59 10.628 -4.489 10.744 1.00 0.00 C ATOM 810 CG LEU A 59 9.901 -3.458 9.879 1.00 0.00 C ATOM 811 CD1 LEU A 59 9.990 -3.826 8.396 1.00 0.00 C ATOM 812 CD2 LEU A 59 8.453 -3.279 10.339 1.00 0.00 C ATOM 0 H LEU A 59 11.706 -6.556 11.604 1.00 0.00 H new ATOM 0 HA LEU A 59 9.063 -5.443 11.778 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.922 -4.008 11.677 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.545 -4.781 10.233 1.00 0.00 H new ATOM 0 HG LEU A 59 10.399 -2.496 10.003 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.465 -3.077 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.036 -3.862 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.532 -4.802 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.959 -2.541 9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.927 -4.231 10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.440 -2.938 11.374 1.00 0.00 H new ATOM 824 N ALA A 60 9.812 -7.355 9.279 1.00 0.00 N ATOM 825 CA ALA A 60 9.267 -8.041 8.120 1.00 0.00 C ATOM 826 C ALA A 60 8.011 -8.811 8.533 1.00 0.00 C ATOM 827 O ALA A 60 6.920 -8.541 8.033 1.00 0.00 O ATOM 828 CB ALA A 60 10.337 -8.953 7.516 1.00 0.00 C ATOM 0 H ALA A 60 10.731 -7.683 9.576 1.00 0.00 H new ATOM 0 HA ALA A 60 8.977 -7.325 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.928 -9.468 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.196 -8.355 7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.650 -9.687 8.258 1.00 0.00 H new ATOM 834 N ASP A 61 8.207 -9.755 9.442 1.00 0.00 N ATOM 835 CA ASP A 61 7.103 -10.566 9.929 1.00 0.00 C ATOM 836 C ASP A 61 5.866 -9.684 10.105 1.00 0.00 C ATOM 837 O ASP A 61 5.924 -8.654 10.776 1.00 0.00 O ATOM 838 CB ASP A 61 7.435 -11.191 11.285 1.00 0.00 C ATOM 839 CG ASP A 61 6.260 -11.876 11.986 1.00 0.00 C ATOM 840 OD1 ASP A 61 5.507 -11.241 12.739 1.00 0.00 O ATOM 841 OD2 ASP A 61 6.131 -13.134 11.730 1.00 0.00 O ATOM 0 H ASP A 61 9.113 -9.977 9.854 1.00 0.00 H new ATOM 0 HA ASP A 61 6.920 -11.357 9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.232 -11.922 11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.826 -10.413 11.941 1.00 0.00 H new ATOM 847 N THR A 62 4.776 -10.119 9.490 1.00 0.00 N ATOM 848 CA THR A 62 3.527 -9.381 9.571 1.00 0.00 C ATOM 849 C THR A 62 2.385 -10.197 8.960 1.00 0.00 C ATOM 850 O THR A 62 1.353 -10.401 9.598 1.00 0.00 O ATOM 851 CB THR A 62 3.734 -8.025 8.893 1.00 0.00 C ATOM 852 OG1 THR A 62 4.214 -7.184 9.939 1.00 0.00 O ATOM 853 CG2 THR A 62 2.416 -7.375 8.468 1.00 0.00 C ATOM 0 H THR A 62 4.732 -10.973 8.934 1.00 0.00 H new ATOM 0 HA THR A 62 3.240 -9.202 10.607 1.00 0.00 H new ATOM 0 HB THR A 62 4.375 -8.150 8.020 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.138 -7.427 10.156 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.620 -6.416 7.992 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.900 -8.027 7.763 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.788 -7.219 9.345 1.00 0.00 H new ATOM 861 N ASP A 63 2.609 -10.642 7.732 1.00 0.00 N ATOM 862 CA ASP A 63 1.613 -11.431 7.029 1.00 0.00 C ATOM 863 C ASP A 63 1.159 -12.587 7.923 1.00 0.00 C ATOM 864 O ASP A 63 -0.038 -12.821 8.082 1.00 0.00 O ATOM 865 CB ASP A 63 2.189 -12.026 5.742 1.00 0.00 C ATOM 866 CG ASP A 63 1.168 -12.271 4.630 1.00 0.00 C ATOM 867 OD1 ASP A 63 0.843 -13.423 4.303 1.00 0.00 O ATOM 868 OD2 ASP A 63 0.692 -11.205 4.081 1.00 0.00 O ATOM 0 H ASP A 63 3.466 -10.471 7.206 1.00 0.00 H new ATOM 0 HA ASP A 63 0.778 -10.776 6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.962 -11.357 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.676 -12.971 5.983 1.00 0.00 H new ATOM 874 N GLY A 64 2.140 -13.279 8.483 1.00 0.00 N ATOM 875 CA GLY A 64 1.857 -14.405 9.357 1.00 0.00 C ATOM 876 C GLY A 64 2.699 -15.623 8.972 1.00 0.00 C ATOM 877 O GLY A 64 2.911 -15.886 7.789 1.00 0.00 O ATOM 0 H GLY A 64 3.132 -13.082 8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.063 -14.128 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.798 -14.657 9.300 1.00 0.00 H new ATOM 881 N LYS A 65 3.155 -16.334 9.992 1.00 0.00 N ATOM 882 CA LYS A 65 3.969 -17.518 9.775 1.00 0.00 C ATOM 883 C LYS A 65 5.361 -17.095 9.303 1.00 0.00 C ATOM 884 O LYS A 65 5.605 -15.915 9.057 1.00 0.00 O ATOM 885 CB LYS A 65 3.263 -18.485 8.822 1.00 0.00 C ATOM 886 CG LYS A 65 3.493 -19.937 9.246 1.00 0.00 C ATOM 887 CD LYS A 65 2.273 -20.802 8.921 1.00 0.00 C ATOM 888 CE LYS A 65 2.530 -22.268 9.277 1.00 0.00 C ATOM 889 NZ LYS A 65 3.437 -22.890 8.287 1.00 0.00 N ATOM 0 H LYS A 65 2.976 -16.113 10.972 1.00 0.00 H new ATOM 0 HA LYS A 65 4.102 -18.066 10.708 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.194 -18.271 8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.632 -18.336 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.371 -20.334 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.699 -19.979 10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.406 -20.437 9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.035 -20.718 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.968 -22.335 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.586 -22.812 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.507 -23.911 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.062 -22.738 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.380 -22.459 8.362 1.00 0.00 H new ATOM 900 N GLY A 66 6.238 -18.082 9.191 1.00 0.00 N ATOM 901 CA GLY A 66 7.600 -17.828 8.753 1.00 0.00 C ATOM 902 C GLY A 66 7.643 -17.497 7.260 1.00 0.00 C ATOM 903 O GLY A 66 8.258 -16.512 6.856 1.00 0.00 O ATOM 0 H GLY A 66 6.032 -19.060 9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.021 -17.001 9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.219 -18.702 8.953 1.00 0.00 H new ATOM 907 N VAL A 67 6.980 -18.339 6.481 1.00 0.00 N ATOM 908 CA VAL A 67 6.935 -18.148 5.041 1.00 0.00 C ATOM 909 C VAL A 67 6.768 -16.659 4.733 1.00 0.00 C ATOM 910 O VAL A 67 6.104 -15.938 5.476 1.00 0.00 O ATOM 911 CB VAL A 67 5.827 -19.012 4.433 1.00 0.00 C ATOM 912 CG1 VAL A 67 5.827 -18.909 2.907 1.00 0.00 C ATOM 913 CG2 VAL A 67 5.958 -20.468 4.885 1.00 0.00 C ATOM 0 H VAL A 67 6.470 -19.155 6.819 1.00 0.00 H new ATOM 0 HA VAL A 67 7.870 -18.472 4.584 1.00 0.00 H new ATOM 0 HB VAL A 67 4.870 -18.634 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.031 -19.532 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.663 -17.872 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.787 -19.249 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.159 -21.061 4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.923 -20.862 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.885 -20.520 5.971 1.00 0.00 H new ATOM 923 N LEU A 68 7.383 -16.242 3.636 1.00 0.00 N ATOM 924 CA LEU A 68 7.311 -14.851 3.221 1.00 0.00 C ATOM 925 C LEU A 68 6.298 -14.715 2.082 1.00 0.00 C ATOM 926 O LEU A 68 5.769 -15.713 1.594 1.00 0.00 O ATOM 927 CB LEU A 68 8.704 -14.324 2.870 1.00 0.00 C ATOM 928 CG LEU A 68 9.751 -14.404 3.983 1.00 0.00 C ATOM 929 CD1 LEU A 68 11.118 -13.929 3.485 1.00 0.00 C ATOM 930 CD2 LEU A 68 9.293 -13.634 5.223 1.00 0.00 C ATOM 0 H LEU A 68 7.933 -16.843 3.022 1.00 0.00 H new ATOM 0 HA LEU A 68 6.956 -14.227 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.075 -14.880 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.610 -13.283 2.561 1.00 0.00 H new ATOM 0 HG LEU A 68 9.860 -15.448 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.844 -13.996 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.441 -14.558 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.044 -12.895 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.055 -13.707 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.138 -12.587 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.359 -14.059 5.591 1.00 0.00 H new ATOM 942 N SER A 69 6.057 -13.472 1.693 1.00 0.00 N ATOM 943 CA SER A 69 5.117 -13.192 0.621 1.00 0.00 C ATOM 944 C SER A 69 5.774 -12.299 -0.432 1.00 0.00 C ATOM 945 O SER A 69 6.997 -12.178 -0.473 1.00 0.00 O ATOM 946 CB SER A 69 3.847 -12.531 1.161 1.00 0.00 C ATOM 947 OG SER A 69 3.388 -13.154 2.358 1.00 0.00 O ATOM 0 H SER A 69 6.497 -12.647 2.101 1.00 0.00 H new ATOM 0 HA SER A 69 4.834 -14.138 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.041 -11.476 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.064 -12.578 0.404 1.00 0.00 H new ATOM 0 HG SER A 69 2.410 -13.214 2.341 1.00 0.00 H new ATOM 953 N LYS A 70 4.932 -11.695 -1.259 1.00 0.00 N ATOM 954 CA LYS A 70 5.416 -10.816 -2.309 1.00 0.00 C ATOM 955 C LYS A 70 6.033 -9.566 -1.678 1.00 0.00 C ATOM 956 O LYS A 70 7.228 -9.538 -1.387 1.00 0.00 O ATOM 957 CB LYS A 70 4.300 -10.512 -3.310 1.00 0.00 C ATOM 958 CG LYS A 70 4.295 -11.531 -4.452 1.00 0.00 C ATOM 959 CD LYS A 70 2.996 -12.339 -4.459 1.00 0.00 C ATOM 960 CE LYS A 70 3.282 -13.836 -4.592 1.00 0.00 C ATOM 961 NZ LYS A 70 2.383 -14.616 -3.713 1.00 0.00 N ATOM 0 H LYS A 70 3.918 -11.798 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 70 6.203 -11.306 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.336 -10.526 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.432 -9.508 -3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.412 -11.015 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.146 -12.204 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.442 -12.151 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.364 -12.011 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.147 -14.147 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.321 -14.038 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.591 -15.630 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.531 -14.331 -2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.394 -14.436 -3.981 1.00 0.00 H new ATOM 972 N GLN A 71 5.191 -8.561 -1.486 1.00 0.00 N ATOM 973 CA GLN A 71 5.638 -7.312 -0.895 1.00 0.00 C ATOM 974 C GLN A 71 6.619 -7.586 0.246 1.00 0.00 C ATOM 975 O GLN A 71 7.693 -6.988 0.304 1.00 0.00 O ATOM 976 CB GLN A 71 4.451 -6.478 -0.410 1.00 0.00 C ATOM 977 CG GLN A 71 4.409 -5.120 -1.113 1.00 0.00 C ATOM 978 CD GLN A 71 4.228 -3.985 -0.104 1.00 0.00 C ATOM 979 OE1 GLN A 71 4.993 -3.824 0.833 1.00 0.00 O ATOM 980 NE2 GLN A 71 3.175 -3.209 -0.346 1.00 0.00 N ATOM 0 H GLN A 71 4.201 -8.587 -1.730 1.00 0.00 H new ATOM 0 HA GLN A 71 6.155 -6.735 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.523 -7.017 -0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.522 -6.331 0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.331 -4.969 -1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.591 -5.105 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.575 -3.399 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.968 -2.424 0.271 1.00 0.00 H new ATOM 989 N GLU A 72 6.216 -8.490 1.126 1.00 0.00 N ATOM 990 CA GLU A 72 7.045 -8.851 2.263 1.00 0.00 C ATOM 991 C GLU A 72 8.515 -8.926 1.845 1.00 0.00 C ATOM 992 O GLU A 72 9.300 -8.032 2.159 1.00 0.00 O ATOM 993 CB GLU A 72 6.583 -10.171 2.883 1.00 0.00 C ATOM 994 CG GLU A 72 5.650 -9.923 4.069 1.00 0.00 C ATOM 995 CD GLU A 72 6.009 -10.831 5.248 1.00 0.00 C ATOM 996 OE1 GLU A 72 5.110 -11.362 5.917 1.00 0.00 O ATOM 997 OE2 GLU A 72 7.273 -10.978 5.458 1.00 0.00 O ATOM 0 H GLU A 72 5.325 -8.984 1.075 1.00 0.00 H new ATOM 0 HA GLU A 72 6.942 -8.076 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.070 -10.770 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.449 -10.746 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.716 -8.879 4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.618 -10.102 3.768 1.00 0.00 H new ATOM 1005 N PHE A 73 8.843 -10.001 1.143 1.00 0.00 N ATOM 1006 CA PHE A 73 10.205 -10.204 0.678 1.00 0.00 C ATOM 1007 C PHE A 73 10.668 -9.035 -0.193 1.00 0.00 C ATOM 1008 O PHE A 73 11.854 -8.711 -0.224 1.00 0.00 O ATOM 1009 CB PHE A 73 10.204 -11.482 -0.163 1.00 0.00 C ATOM 1010 CG PHE A 73 11.410 -11.614 -1.095 1.00 0.00 C ATOM 1011 CD1 PHE A 73 11.394 -11.015 -2.316 1.00 0.00 C ATOM 1012 CD2 PHE A 73 12.498 -12.331 -0.703 1.00 0.00 C ATOM 1013 CE1 PHE A 73 12.514 -11.137 -3.181 1.00 0.00 C ATOM 1014 CE2 PHE A 73 13.617 -12.453 -1.569 1.00 0.00 C ATOM 1015 CZ PHE A 73 13.601 -11.854 -2.790 1.00 0.00 C ATOM 0 H PHE A 73 8.189 -10.740 0.885 1.00 0.00 H new ATOM 0 HA PHE A 73 10.882 -10.277 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.177 -12.344 0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.292 -11.512 -0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.530 -10.447 -2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.511 -12.807 0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.502 -10.660 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 73 14.481 -13.022 -1.258 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.452 -11.948 -3.449 1.00 0.00 H new ATOM 1025 N PHE A 74 9.707 -8.433 -0.879 1.00 0.00 N ATOM 1026 CA PHE A 74 10.001 -7.306 -1.748 1.00 0.00 C ATOM 1027 C PHE A 74 10.249 -6.035 -0.933 1.00 0.00 C ATOM 1028 O PHE A 74 10.617 -5.000 -1.487 1.00 0.00 O ATOM 1029 CB PHE A 74 8.774 -7.096 -2.638 1.00 0.00 C ATOM 1030 CG PHE A 74 8.961 -7.576 -4.079 1.00 0.00 C ATOM 1031 CD1 PHE A 74 8.691 -8.868 -4.406 1.00 0.00 C ATOM 1032 CD2 PHE A 74 9.398 -6.710 -5.032 1.00 0.00 C ATOM 1033 CE1 PHE A 74 8.865 -9.313 -5.743 1.00 0.00 C ATOM 1034 CE2 PHE A 74 9.572 -7.155 -6.370 1.00 0.00 C ATOM 1035 CZ PHE A 74 9.301 -8.447 -6.697 1.00 0.00 C ATOM 0 H PHE A 74 8.724 -8.705 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 74 10.898 -7.511 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.925 -7.620 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.523 -6.035 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.344 -9.556 -3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.613 -5.684 -4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.651 -10.339 -6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.919 -6.468 -7.127 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.432 -8.785 -7.714 1.00 0.00 H new ATOM 1045 N VAL A 75 10.037 -6.155 0.369 1.00 0.00 N ATOM 1046 CA VAL A 75 10.233 -5.028 1.266 1.00 0.00 C ATOM 1047 C VAL A 75 11.608 -5.142 1.928 1.00 0.00 C ATOM 1048 O VAL A 75 12.396 -4.198 1.898 1.00 0.00 O ATOM 1049 CB VAL A 75 9.087 -4.958 2.277 1.00 0.00 C ATOM 1050 CG1 VAL A 75 9.606 -4.601 3.671 1.00 0.00 C ATOM 1051 CG2 VAL A 75 8.013 -3.968 1.821 1.00 0.00 C ATOM 0 H VAL A 75 9.732 -7.015 0.825 1.00 0.00 H new ATOM 0 HA VAL A 75 10.216 -4.090 0.710 1.00 0.00 H new ATOM 0 HB VAL A 75 8.630 -5.946 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.771 -4.558 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.316 -5.360 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.101 -3.631 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.210 -3.937 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.452 -2.975 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.611 -4.285 0.859 1.00 0.00 H new ATOM 1061 N ALA A 76 11.854 -6.306 2.511 1.00 0.00 N ATOM 1062 CA ALA A 76 13.120 -6.556 3.180 1.00 0.00 C ATOM 1063 C ALA A 76 14.267 -6.313 2.197 1.00 0.00 C ATOM 1064 O ALA A 76 15.392 -6.035 2.608 1.00 0.00 O ATOM 1065 CB ALA A 76 13.127 -7.977 3.745 1.00 0.00 C ATOM 0 H ALA A 76 11.198 -7.087 2.534 1.00 0.00 H new ATOM 0 HA ALA A 76 13.253 -5.872 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.076 -8.164 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.311 -8.089 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.999 -8.692 2.933 1.00 0.00 H new ATOM 1071 N LEU A 77 13.942 -6.428 0.917 1.00 0.00 N ATOM 1072 CA LEU A 77 14.931 -6.224 -0.127 1.00 0.00 C ATOM 1073 C LEU A 77 15.465 -4.792 -0.046 1.00 0.00 C ATOM 1074 O LEU A 77 16.599 -4.571 0.377 1.00 0.00 O ATOM 1075 CB LEU A 77 14.349 -6.587 -1.495 1.00 0.00 C ATOM 1076 CG LEU A 77 14.891 -7.867 -2.136 1.00 0.00 C ATOM 1077 CD1 LEU A 77 14.190 -8.152 -3.466 1.00 0.00 C ATOM 1078 CD2 LEU A 77 16.411 -7.801 -2.291 1.00 0.00 C ATOM 0 H LEU A 77 13.008 -6.660 0.580 1.00 0.00 H new ATOM 0 HA LEU A 77 15.781 -6.890 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.268 -6.684 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.532 -5.757 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 77 14.672 -8.702 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.593 -9.066 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.120 -8.272 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.357 -7.320 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.770 -8.723 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.676 -6.954 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.872 -7.679 -1.311 1.00 0.00 H new ATOM 1090 N ARG A 78 14.622 -3.857 -0.459 1.00 0.00 N ATOM 1091 CA ARG A 78 14.995 -2.452 -0.438 1.00 0.00 C ATOM 1092 C ARG A 78 15.475 -2.051 0.958 1.00 0.00 C ATOM 1093 O ARG A 78 16.461 -1.328 1.095 1.00 0.00 O ATOM 1094 CB ARG A 78 13.815 -1.564 -0.839 1.00 0.00 C ATOM 1095 CG ARG A 78 13.844 -1.259 -2.338 1.00 0.00 C ATOM 1096 CD ARG A 78 14.056 -2.536 -3.154 1.00 0.00 C ATOM 1097 NE ARG A 78 15.451 -2.597 -3.644 1.00 0.00 N ATOM 1098 CZ ARG A 78 15.951 -1.791 -4.605 1.00 0.00 C ATOM 1099 NH1 ARG A 78 15.174 -0.854 -5.187 1.00 0.00 N ATOM 1100 NH2 ARG A 78 17.213 -1.933 -4.966 1.00 0.00 N ATOM 0 H ARG A 78 13.683 -4.044 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 78 15.802 -2.312 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.879 -2.060 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.847 -0.633 -0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.908 -0.785 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.643 -0.549 -2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.839 -3.410 -2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.365 -2.558 -3.996 1.00 0.00 H new ATOM 0 HE ARG A 78 16.073 -3.291 -3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.200 -0.750 -4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.560 -0.250 -5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.794 -2.643 -4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 78 17.607 -1.333 -5.690 1.00 0.00 H new ATOM 1113 N LEU A 79 14.756 -2.537 1.959 1.00 0.00 N ATOM 1114 CA LEU A 79 15.097 -2.238 3.339 1.00 0.00 C ATOM 1115 C LEU A 79 16.599 -2.440 3.545 1.00 0.00 C ATOM 1116 O LEU A 79 17.280 -1.566 4.078 1.00 0.00 O ATOM 1117 CB LEU A 79 14.229 -3.059 4.295 1.00 0.00 C ATOM 1118 CG LEU A 79 13.847 -2.375 5.609 1.00 0.00 C ATOM 1119 CD1 LEU A 79 12.972 -3.290 6.469 1.00 0.00 C ATOM 1120 CD2 LEU A 79 15.091 -1.899 6.362 1.00 0.00 C ATOM 0 H LEU A 79 13.939 -3.136 1.842 1.00 0.00 H new ATOM 0 HA LEU A 79 14.882 -1.194 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.313 -3.338 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.756 -3.984 4.530 1.00 0.00 H new ATOM 0 HG LEU A 79 13.255 -1.490 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.715 -2.780 7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.060 -3.537 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.518 -4.206 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.791 -1.416 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.730 -2.753 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.640 -1.188 5.745 1.00 0.00 H new ATOM 1132 N VAL A 80 17.073 -3.599 3.110 1.00 0.00 N ATOM 1133 CA VAL A 80 18.482 -3.928 3.240 1.00 0.00 C ATOM 1134 C VAL A 80 19.317 -2.867 2.519 1.00 0.00 C ATOM 1135 O VAL A 80 20.362 -2.451 3.017 1.00 0.00 O ATOM 1136 CB VAL A 80 18.739 -5.344 2.721 1.00 0.00 C ATOM 1137 CG1 VAL A 80 20.234 -5.584 2.501 1.00 0.00 C ATOM 1138 CG2 VAL A 80 18.149 -6.390 3.669 1.00 0.00 C ATOM 0 H VAL A 80 16.506 -4.322 2.667 1.00 0.00 H new ATOM 0 HA VAL A 80 18.781 -3.921 4.288 1.00 0.00 H new ATOM 0 HB VAL A 80 18.239 -5.445 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.389 -6.598 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.613 -4.870 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.766 -5.456 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.345 -7.388 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.608 -6.290 4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.073 -6.239 3.753 1.00 0.00 H new ATOM 1148 N ALA A 81 18.824 -2.459 1.359 1.00 0.00 N ATOM 1149 CA ALA A 81 19.512 -1.455 0.565 1.00 0.00 C ATOM 1150 C ALA A 81 19.436 -0.105 1.282 1.00 0.00 C ATOM 1151 O ALA A 81 20.139 0.836 0.917 1.00 0.00 O ATOM 1152 CB ALA A 81 18.901 -1.406 -0.837 1.00 0.00 C ATOM 0 H ALA A 81 17.956 -2.805 0.950 1.00 0.00 H new ATOM 0 HA ALA A 81 20.566 -1.710 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 81 19.417 -0.653 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.006 -2.380 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.844 -1.150 -0.765 1.00 0.00 H new ATOM 1158 N CYS A 82 18.576 -0.053 2.289 1.00 0.00 N ATOM 1159 CA CYS A 82 18.399 1.166 3.060 1.00 0.00 C ATOM 1160 C CYS A 82 19.551 1.272 4.061 1.00 0.00 C ATOM 1161 O CYS A 82 20.330 2.223 4.019 1.00 0.00 O ATOM 1162 CB CYS A 82 17.035 1.204 3.752 1.00 0.00 C ATOM 1163 SG CYS A 82 16.222 2.814 3.443 1.00 0.00 S ATOM 0 H CYS A 82 17.994 -0.835 2.589 1.00 0.00 H new ATOM 0 HA CYS A 82 18.418 2.028 2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 82 16.407 0.393 3.382 1.00 0.00 H new ATOM 0 HB3 CYS A 82 17.157 1.049 4.824 1.00 0.00 H new ATOM 0 HG CYS A 82 15.169 2.920 4.198 1.00 0.00 H new ATOM 1169 N ALA A 83 19.623 0.282 4.939 1.00 0.00 N ATOM 1170 CA ALA A 83 20.666 0.252 5.950 1.00 0.00 C ATOM 1171 C ALA A 83 22.030 0.142 5.265 1.00 0.00 C ATOM 1172 O ALA A 83 23.063 0.384 5.888 1.00 0.00 O ATOM 1173 CB ALA A 83 20.406 -0.903 6.919 1.00 0.00 C ATOM 0 H ALA A 83 18.976 -0.506 4.971 1.00 0.00 H new ATOM 0 HA ALA A 83 20.662 1.173 6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 83 21.189 -0.925 7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 83 19.438 -0.763 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.406 -1.845 6.371 1.00 0.00 H new ATOM 1179 N GLN A 84 21.990 -0.223 3.992 1.00 0.00 N ATOM 1180 CA GLN A 84 23.210 -0.367 3.216 1.00 0.00 C ATOM 1181 C GLN A 84 23.883 0.994 3.026 1.00 0.00 C ATOM 1182 O GLN A 84 25.065 1.065 2.694 1.00 0.00 O ATOM 1183 CB GLN A 84 22.927 -1.032 1.868 1.00 0.00 C ATOM 1184 CG GLN A 84 22.755 -2.544 2.027 1.00 0.00 C ATOM 1185 CD GLN A 84 23.984 -3.294 1.509 1.00 0.00 C ATOM 1186 OE1 GLN A 84 24.623 -4.054 2.217 1.00 0.00 O ATOM 1187 NE2 GLN A 84 24.278 -3.037 0.238 1.00 0.00 N ATOM 0 H GLN A 84 21.132 -0.423 3.478 1.00 0.00 H new ATOM 0 HA GLN A 84 23.893 -1.014 3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.025 -0.604 1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 84 23.745 -0.826 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 84 22.593 -2.787 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.869 -2.872 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 84 23.700 -2.389 -0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 84 25.081 -3.487 -0.201 1.00 0.00 H new ATOM 1196 N ASN A 85 23.100 2.040 3.244 1.00 0.00 N ATOM 1197 CA ASN A 85 23.605 3.395 3.100 1.00 0.00 C ATOM 1198 C ASN A 85 23.647 4.067 4.474 1.00 0.00 C ATOM 1199 O ASN A 85 24.313 5.087 4.650 1.00 0.00 O ATOM 1200 CB ASN A 85 22.696 4.229 2.194 1.00 0.00 C ATOM 1201 CG ASN A 85 23.028 5.718 2.306 1.00 0.00 C ATOM 1202 OD1 ASN A 85 24.151 6.148 2.099 1.00 0.00 O ATOM 1203 ND2 ASN A 85 21.991 6.479 2.644 1.00 0.00 N ATOM 0 H ASN A 85 22.120 1.977 3.519 1.00 0.00 H new ATOM 0 HA ASN A 85 24.600 3.339 2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 85 22.810 3.904 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 85 21.654 4.064 2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.109 7.487 2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 85 21.077 6.055 2.803 1.00 0.00 H new ATOM 1210 N GLY A 86 22.928 3.469 5.412 1.00 0.00 N ATOM 1211 CA GLY A 86 22.876 3.997 6.765 1.00 0.00 C ATOM 1212 C GLY A 86 21.446 4.387 7.146 1.00 0.00 C ATOM 1213 O GLY A 86 21.225 5.013 8.182 1.00 0.00 O ATOM 0 H GLY A 86 22.377 2.624 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.252 3.251 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.528 4.867 6.845 1.00 0.00 H new ATOM 1217 N LEU A 87 20.513 4.002 6.288 1.00 0.00 N ATOM 1218 CA LEU A 87 19.111 4.303 6.522 1.00 0.00 C ATOM 1219 C LEU A 87 18.555 3.340 7.572 1.00 0.00 C ATOM 1220 O LEU A 87 19.018 2.207 7.688 1.00 0.00 O ATOM 1221 CB LEU A 87 18.334 4.291 5.204 1.00 0.00 C ATOM 1222 CG LEU A 87 18.673 5.409 4.215 1.00 0.00 C ATOM 1223 CD1 LEU A 87 18.482 4.940 2.771 1.00 0.00 C ATOM 1224 CD2 LEU A 87 17.866 6.673 4.519 1.00 0.00 C ATOM 0 H LEU A 87 20.700 3.484 5.429 1.00 0.00 H new ATOM 0 HA LEU A 87 18.999 5.311 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.506 3.334 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.270 4.345 5.432 1.00 0.00 H new ATOM 0 HG LEU A 87 19.726 5.663 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 87 18.729 5.753 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.136 4.090 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.444 4.642 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 87 18.126 7.452 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 87 16.801 6.452 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.095 7.017 5.527 1.00 0.00 H new ATOM 1236 N GLU A 88 17.569 3.827 8.312 1.00 0.00 N ATOM 1237 CA GLU A 88 16.945 3.023 9.349 1.00 0.00 C ATOM 1238 C GLU A 88 16.664 1.612 8.830 1.00 0.00 C ATOM 1239 O GLU A 88 16.682 1.375 7.623 1.00 0.00 O ATOM 1240 CB GLU A 88 15.662 3.685 9.858 1.00 0.00 C ATOM 1241 CG GLU A 88 15.502 3.483 11.366 1.00 0.00 C ATOM 1242 CD GLU A 88 14.233 4.166 11.879 1.00 0.00 C ATOM 1243 OE1 GLU A 88 14.312 5.054 12.740 1.00 0.00 O ATOM 1244 OE2 GLU A 88 13.134 3.744 11.350 1.00 0.00 O ATOM 0 H GLU A 88 17.187 4.768 8.214 1.00 0.00 H new ATOM 0 HA GLU A 88 17.636 2.949 10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.684 4.751 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.801 3.265 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.462 2.417 11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.372 3.886 11.885 1.00 0.00 H new ATOM 1252 N VAL A 89 16.412 0.710 9.768 1.00 0.00 N ATOM 1253 CA VAL A 89 16.129 -0.672 9.421 1.00 0.00 C ATOM 1254 C VAL A 89 14.627 -0.930 9.559 1.00 0.00 C ATOM 1255 O VAL A 89 14.136 -1.986 9.163 1.00 0.00 O ATOM 1256 CB VAL A 89 16.979 -1.612 10.279 1.00 0.00 C ATOM 1257 CG1 VAL A 89 16.855 -3.058 9.794 1.00 0.00 C ATOM 1258 CG2 VAL A 89 18.441 -1.163 10.299 1.00 0.00 C ATOM 0 H VAL A 89 16.398 0.910 10.768 1.00 0.00 H new ATOM 0 HA VAL A 89 16.399 -0.869 8.383 1.00 0.00 H new ATOM 0 HB VAL A 89 16.602 -1.568 11.301 1.00 0.00 H new ATOM 0 HG11 VAL A 89 17.469 -3.706 10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 89 15.814 -3.374 9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.194 -3.125 8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.023 -1.848 10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 89 18.836 -1.164 9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 89 18.507 -0.157 10.713 1.00 0.00 H new ATOM 1268 N SER A 90 13.940 0.052 10.123 1.00 0.00 N ATOM 1269 CA SER A 90 12.504 -0.056 10.318 1.00 0.00 C ATOM 1270 C SER A 90 11.766 0.593 9.146 1.00 0.00 C ATOM 1271 O SER A 90 12.281 1.517 8.518 1.00 0.00 O ATOM 1272 CB SER A 90 12.077 0.592 11.638 1.00 0.00 C ATOM 1273 OG SER A 90 12.077 -0.342 12.714 1.00 0.00 O ATOM 0 H SER A 90 14.351 0.926 10.451 1.00 0.00 H new ATOM 0 HA SER A 90 12.244 -1.114 10.362 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.751 1.416 11.873 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.080 1.018 11.527 1.00 0.00 H new ATOM 0 HG SER A 90 11.801 0.109 13.539 1.00 0.00 H new ATOM 1279 N LEU A 91 10.571 0.084 8.885 1.00 0.00 N ATOM 1280 CA LEU A 91 9.757 0.603 7.799 1.00 0.00 C ATOM 1281 C LEU A 91 9.375 2.053 8.101 1.00 0.00 C ATOM 1282 O LEU A 91 9.077 2.823 7.190 1.00 0.00 O ATOM 1283 CB LEU A 91 8.555 -0.310 7.548 1.00 0.00 C ATOM 1284 CG LEU A 91 8.732 -1.366 6.455 1.00 0.00 C ATOM 1285 CD1 LEU A 91 7.608 -2.403 6.508 1.00 0.00 C ATOM 1286 CD2 LEU A 91 8.846 -0.715 5.076 1.00 0.00 C ATOM 0 H LEU A 91 10.147 -0.683 9.407 1.00 0.00 H new ATOM 0 HA LEU A 91 10.324 0.610 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.309 -0.818 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 91 7.699 0.313 7.289 1.00 0.00 H new ATOM 0 HG LEU A 91 9.667 -1.894 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.757 -3.142 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.617 -2.900 7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.648 -1.907 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.971 -1.488 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.941 -0.145 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.707 -0.047 5.059 1.00 0.00 H new ATOM 1298 N SER A 92 9.397 2.382 9.385 1.00 0.00 N ATOM 1299 CA SER A 92 9.057 3.727 9.818 1.00 0.00 C ATOM 1300 C SER A 92 9.903 4.751 9.060 1.00 0.00 C ATOM 1301 O SER A 92 9.547 5.926 8.990 1.00 0.00 O ATOM 1302 CB SER A 92 9.256 3.886 11.327 1.00 0.00 C ATOM 1303 OG SER A 92 8.016 3.918 12.029 1.00 0.00 O ATOM 0 H SER A 92 9.645 1.741 10.139 1.00 0.00 H new ATOM 0 HA SER A 92 8.004 3.902 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.863 3.062 11.701 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.808 4.805 11.525 1.00 0.00 H new ATOM 0 HG SER A 92 8.186 4.019 12.989 1.00 0.00 H new ATOM 1309 N SER A 93 11.009 4.268 8.513 1.00 0.00 N ATOM 1310 CA SER A 93 11.910 5.127 7.763 1.00 0.00 C ATOM 1311 C SER A 93 12.086 4.587 6.342 1.00 0.00 C ATOM 1312 O SER A 93 13.175 4.665 5.776 1.00 0.00 O ATOM 1313 CB SER A 93 13.267 5.243 8.459 1.00 0.00 C ATOM 1314 OG SER A 93 13.525 6.570 8.909 1.00 0.00 O ATOM 0 H SER A 93 11.302 3.293 8.574 1.00 0.00 H new ATOM 0 HA SER A 93 11.471 6.124 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.299 4.560 9.308 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.054 4.934 7.772 1.00 0.00 H new ATOM 0 HG SER A 93 14.400 6.602 9.349 1.00 0.00 H new ATOM 1320 N LEU A 94 10.998 4.052 5.808 1.00 0.00 N ATOM 1321 CA LEU A 94 11.019 3.499 4.464 1.00 0.00 C ATOM 1322 C LEU A 94 10.062 4.295 3.575 1.00 0.00 C ATOM 1323 O LEU A 94 9.557 5.341 3.981 1.00 0.00 O ATOM 1324 CB LEU A 94 10.722 1.998 4.497 1.00 0.00 C ATOM 1325 CG LEU A 94 11.938 1.076 4.601 1.00 0.00 C ATOM 1326 CD1 LEU A 94 12.875 1.267 3.407 1.00 0.00 C ATOM 1327 CD2 LEU A 94 12.662 1.271 5.935 1.00 0.00 C ATOM 0 H LEU A 94 10.097 3.990 6.281 1.00 0.00 H new ATOM 0 HA LEU A 94 12.014 3.594 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.065 1.796 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.169 1.737 3.594 1.00 0.00 H new ATOM 0 HG LEU A 94 11.587 0.044 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 94 13.731 0.600 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 94 12.341 1.038 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 94 13.222 2.300 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 94 13.522 0.604 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 94 12.999 2.304 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.981 1.044 6.755 1.00 0.00 H new ATOM 1339 N SER A 95 9.843 3.771 2.378 1.00 0.00 N ATOM 1340 CA SER A 95 8.955 4.420 1.428 1.00 0.00 C ATOM 1341 C SER A 95 9.710 5.517 0.673 1.00 0.00 C ATOM 1342 O SER A 95 9.139 6.191 -0.183 1.00 0.00 O ATOM 1343 CB SER A 95 7.730 5.007 2.131 1.00 0.00 C ATOM 1344 OG SER A 95 7.804 6.425 2.240 1.00 0.00 O ATOM 0 H SER A 95 10.265 2.905 2.044 1.00 0.00 H new ATOM 0 HA SER A 95 8.607 3.670 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.830 4.733 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.640 4.571 3.126 1.00 0.00 H new ATOM 0 HG SER A 95 8.480 6.667 2.907 1.00 0.00 H new ATOM 1350 N LEU A 96 10.981 5.661 1.018 1.00 0.00 N ATOM 1351 CA LEU A 96 11.819 6.664 0.383 1.00 0.00 C ATOM 1352 C LEU A 96 12.477 6.061 -0.859 1.00 0.00 C ATOM 1353 O LEU A 96 12.023 5.040 -1.373 1.00 0.00 O ATOM 1354 CB LEU A 96 12.817 7.243 1.389 1.00 0.00 C ATOM 1355 CG LEU A 96 12.322 7.363 2.832 1.00 0.00 C ATOM 1356 CD1 LEU A 96 13.451 7.078 3.824 1.00 0.00 C ATOM 1357 CD2 LEU A 96 11.673 8.727 3.077 1.00 0.00 C ATOM 0 H LEU A 96 11.451 5.100 1.729 1.00 0.00 H new ATOM 0 HA LEU A 96 11.216 7.507 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.711 6.620 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.116 8.233 1.045 1.00 0.00 H new ATOM 0 HG LEU A 96 11.553 6.607 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.073 7.170 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.827 6.067 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.259 7.794 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.330 8.786 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.402 9.516 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.824 8.852 2.405 1.00 0.00 H new ATOM 1369 N ALA A 97 13.537 6.718 -1.306 1.00 0.00 N ATOM 1370 CA ALA A 97 14.262 6.260 -2.478 1.00 0.00 C ATOM 1371 C ALA A 97 15.521 5.512 -2.034 1.00 0.00 C ATOM 1372 O ALA A 97 16.635 5.906 -2.376 1.00 0.00 O ATOM 1373 CB ALA A 97 14.581 7.453 -3.381 1.00 0.00 C ATOM 0 H ALA A 97 13.911 7.564 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 97 13.653 5.566 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 97 15.125 7.108 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.653 7.932 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 97 15.193 8.170 -2.834 1.00 0.00 H new ATOM 1379 N VAL A 98 15.302 4.446 -1.279 1.00 0.00 N ATOM 1380 CA VAL A 98 16.404 3.639 -0.784 1.00 0.00 C ATOM 1381 C VAL A 98 17.461 3.499 -1.882 1.00 0.00 C ATOM 1382 O VAL A 98 17.129 3.461 -3.066 1.00 0.00 O ATOM 1383 CB VAL A 98 15.883 2.292 -0.280 1.00 0.00 C ATOM 1384 CG1 VAL A 98 14.677 2.482 0.642 1.00 0.00 C ATOM 1385 CG2 VAL A 98 15.540 1.365 -1.448 1.00 0.00 C ATOM 0 H VAL A 98 14.377 4.122 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 98 16.881 4.125 0.067 1.00 0.00 H new ATOM 0 HB VAL A 98 16.677 1.821 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.326 1.509 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.967 3.088 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.878 2.984 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.172 0.414 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 98 14.771 1.828 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.433 1.191 -2.049 1.00 0.00 H new ATOM 1395 N PRO A 99 18.744 3.423 -1.439 1.00 0.00 N ATOM 1396 CA PRO A 99 19.851 3.287 -2.370 1.00 0.00 C ATOM 1397 C PRO A 99 19.924 1.866 -2.931 1.00 0.00 C ATOM 1398 O PRO A 99 19.167 0.990 -2.515 1.00 0.00 O ATOM 1399 CB PRO A 99 21.086 3.676 -1.573 1.00 0.00 C ATOM 1400 CG PRO A 99 20.689 3.565 -0.110 1.00 0.00 C ATOM 1401 CD PRO A 99 19.174 3.464 -0.044 1.00 0.00 C ATOM 0 HA PRO A 99 19.743 3.924 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.923 3.016 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.404 4.690 -1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.150 2.688 0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.038 4.434 0.447 1.00 0.00 H new ATOM 0 HD2 PRO A 99 18.860 2.569 0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.743 4.318 0.478 1.00 0.00 H new ATOM 1409 N PRO A 100 20.868 1.675 -3.892 1.00 0.00 N ATOM 1410 CA PRO A 100 21.050 0.375 -4.514 1.00 0.00 C ATOM 1411 C PRO A 100 21.768 -0.590 -3.568 1.00 0.00 C ATOM 1412 O PRO A 100 22.845 -0.281 -3.061 1.00 0.00 O ATOM 1413 CB PRO A 100 21.834 0.654 -5.786 1.00 0.00 C ATOM 1414 CG PRO A 100 22.461 2.025 -5.597 1.00 0.00 C ATOM 1415 CD PRO A 100 21.783 2.688 -4.409 1.00 0.00 C ATOM 0 HA PRO A 100 20.105 -0.117 -4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 100 22.598 -0.106 -5.948 1.00 0.00 H new ATOM 0 HB3 PRO A 100 21.181 0.640 -6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 100 23.533 1.934 -5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 100 22.335 2.630 -6.495 1.00 0.00 H new ATOM 0 HD2 PRO A 100 22.510 2.987 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 100 21.248 3.588 -4.710 1.00 0.00 H new ATOM 1423 N PRO A 101 21.126 -1.770 -3.355 1.00 0.00 N ATOM 1424 CA PRO A 101 21.692 -2.782 -2.479 1.00 0.00 C ATOM 1425 C PRO A 101 22.862 -3.500 -3.155 1.00 0.00 C ATOM 1426 O PRO A 101 23.427 -2.997 -4.125 1.00 0.00 O ATOM 1427 CB PRO A 101 20.535 -3.710 -2.150 1.00 0.00 C ATOM 1428 CG PRO A 101 19.481 -3.456 -3.216 1.00 0.00 C ATOM 1429 CD PRO A 101 19.850 -2.170 -3.939 1.00 0.00 C ATOM 0 HA PRO A 101 22.117 -2.360 -1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 101 20.855 -4.752 -2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 101 20.141 -3.505 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 101 19.439 -4.289 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 101 18.493 -3.370 -2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 101 19.939 -2.331 -5.013 1.00 0.00 H new ATOM 0 HD3 PRO A 101 19.090 -1.402 -3.794 1.00 0.00 H new ATOM 1437 N ARG A 102 23.189 -4.666 -2.617 1.00 0.00 N ATOM 1438 CA ARG A 102 24.281 -5.459 -3.156 1.00 0.00 C ATOM 1439 C ARG A 102 23.736 -6.561 -4.068 1.00 0.00 C ATOM 1440 O ARG A 102 24.402 -6.972 -5.017 1.00 0.00 O ATOM 1441 CB ARG A 102 25.106 -6.095 -2.036 1.00 0.00 C ATOM 1442 CG ARG A 102 26.600 -6.046 -2.360 1.00 0.00 C ATOM 1443 CD ARG A 102 27.185 -4.667 -2.044 1.00 0.00 C ATOM 1444 NE ARG A 102 28.165 -4.282 -3.084 1.00 0.00 N ATOM 1445 CZ ARG A 102 29.344 -4.908 -3.281 1.00 0.00 C ATOM 1446 NH1 ARG A 102 29.702 -5.956 -2.509 1.00 0.00 N ATOM 1447 NH2 ARG A 102 30.144 -4.480 -4.240 1.00 0.00 N ATOM 0 H ARG A 102 22.717 -5.081 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 102 24.924 -4.791 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 102 24.916 -5.573 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.795 -7.130 -1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 102 27.126 -6.808 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 102 26.755 -6.278 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 102 26.386 -3.927 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 102 27.667 -4.683 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 102 27.935 -3.494 -3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 102 29.079 -6.281 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 102 30.595 -6.423 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 102 29.867 -3.687 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 102 31.039 -4.942 -4.402 1.00 0.00 H new ATOM 1460 N PHE A 103 22.531 -7.008 -3.747 1.00 0.00 N ATOM 1461 CA PHE A 103 21.890 -8.055 -4.525 1.00 0.00 C ATOM 1462 C PHE A 103 22.169 -7.876 -6.019 1.00 0.00 C ATOM 1463 O PHE A 103 22.556 -6.794 -6.457 1.00 0.00 O ATOM 1464 CB PHE A 103 20.384 -7.934 -4.281 1.00 0.00 C ATOM 1465 CG PHE A 103 20.000 -7.811 -2.805 1.00 0.00 C ATOM 1466 CD1 PHE A 103 20.425 -8.745 -1.913 1.00 0.00 C ATOM 1467 CD2 PHE A 103 19.234 -6.769 -2.386 1.00 0.00 C ATOM 1468 CE1 PHE A 103 20.068 -8.632 -0.543 1.00 0.00 C ATOM 1469 CE2 PHE A 103 18.878 -6.655 -1.016 1.00 0.00 C ATOM 1470 CZ PHE A 103 19.303 -7.589 -0.124 1.00 0.00 C ATOM 0 H PHE A 103 21.982 -6.665 -2.959 1.00 0.00 H new ATOM 0 HA PHE A 103 22.274 -9.030 -4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 103 20.008 -7.063 -4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 103 19.887 -8.807 -4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 103 21.034 -9.573 -2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 103 18.896 -6.028 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 103 20.404 -9.374 0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 103 18.270 -5.827 -0.683 1.00 0.00 H new ATOM 0 HZ PHE A 103 19.033 -7.502 0.918 1.00 0.00 H new ATOM 1480 N HIS A 104 21.961 -8.955 -6.760 1.00 0.00 N ATOM 1481 CA HIS A 104 22.185 -8.932 -8.195 1.00 0.00 C ATOM 1482 C HIS A 104 21.131 -8.048 -8.865 1.00 0.00 C ATOM 1483 O HIS A 104 20.191 -7.595 -8.214 1.00 0.00 O ATOM 1484 CB HIS A 104 22.216 -10.352 -8.763 1.00 0.00 C ATOM 1485 CG HIS A 104 23.602 -10.848 -9.101 1.00 0.00 C ATOM 1486 ND1 HIS A 104 24.182 -10.664 -10.344 1.00 0.00 N ATOM 1487 CD2 HIS A 104 24.516 -11.522 -8.345 1.00 0.00 C ATOM 1488 CE1 HIS A 104 25.390 -11.208 -10.326 1.00 0.00 C ATOM 1489 NE2 HIS A 104 25.595 -11.740 -9.087 1.00 0.00 N ATOM 0 H HIS A 104 21.640 -9.851 -6.393 1.00 0.00 H new ATOM 0 HA HIS A 104 23.162 -8.497 -8.407 1.00 0.00 H new ATOM 0 HB2 HIS A 104 21.764 -11.031 -8.040 1.00 0.00 H new ATOM 0 HB3 HIS A 104 21.600 -10.387 -9.661 1.00 0.00 H new ATOM 0 HD2 HIS A 104 24.384 -11.827 -7.317 1.00 0.00 H new ATOM 0 HE1 HIS A 104 26.090 -11.227 -11.148 1.00 0.00 H new ATOM 0 HE2 HIS A 104 26.438 -12.225 -8.781 1.00 0.00 H new ATOM 1497 N ASP A 105 21.324 -7.828 -10.157 1.00 0.00 N ATOM 1498 CA ASP A 105 20.402 -7.007 -10.922 1.00 0.00 C ATOM 1499 C ASP A 105 18.966 -7.345 -10.516 1.00 0.00 C ATOM 1500 O ASP A 105 18.094 -6.478 -10.521 1.00 0.00 O ATOM 1501 CB ASP A 105 20.543 -7.271 -12.423 1.00 0.00 C ATOM 1502 CG ASP A 105 20.836 -6.033 -13.272 1.00 0.00 C ATOM 1503 OD1 ASP A 105 21.774 -5.272 -12.990 1.00 0.00 O ATOM 1504 OD2 ASP A 105 20.045 -5.861 -14.276 1.00 0.00 O ATOM 0 H ASP A 105 22.106 -8.204 -10.693 1.00 0.00 H new ATOM 0 HA ASP A 105 20.633 -5.962 -10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 105 21.343 -7.995 -12.576 1.00 0.00 H new ATOM 0 HB3 ASP A 105 19.623 -7.731 -12.784 1.00 0.00 H new TER 1510 ASP A 105