USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 782 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 70 THR OG1 : rot 180:sc= 1.15 USER MOD Set 1.2: A 73 SER OG : rot -101:sc= 1.18 USER MOD Set 2.1: A 30 CYS SG : rot 150:sc= -0.472 USER MOD Set 2.2: A 42 MET CE :methyl 157:sc= -1.87 (180deg=-3.36!) USER MOD Set 3.1: A 21 SER OG : rot -114:sc= 0.46 USER MOD Set 3.2: A 25 ASN : amide:sc= -3.61! C(o=-2.9!,f=-3.4!) USER MOD Set 3.3: A 27 THR OG1 : rot -140:sc= 0.214 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0121 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.127 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -19:sc= 0.623 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.41) USER MOD Single : A 19 ASN : amide:sc= -0.0872 K(o=-0.087,f=-0.64) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -59:sc= 0.412 USER MOD Single : A 29 TYR OH : rot 141:sc= 0.197 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.256 K(o=-0.26,f=-2!) USER MOD Single : A 45 THR OG1 : rot 78:sc= 0.371 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 51 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.4!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= 0.0657 (180deg=0.00826) USER MOD Single : A 63 TYR OH : rot 86:sc= 1.13 USER MOD Single : A 64 SER OG : rot 21:sc= -0.459! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -4.34 F(o=-6!,f=-4.3) USER MOD Single : A 76 HIS : no HD1:sc= -0.0725 X(o=-0.072,f=0.0065) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.44) USER MOD Single : A 84 THR OG1 : rot -69:sc= 0.163 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.136) USER MOD Single : A 93 CYS SG : rot 60:sc= -3.34 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.872 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 37:sc= 0.765 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc=-0.00617 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.312 -31.411 28.828 1.00 0.00 N ATOM 2 CA GLY A 1 -2.823 -30.047 28.878 1.00 0.00 C ATOM 3 C GLY A 1 -3.239 -29.237 27.668 1.00 0.00 C ATOM 4 O GLY A 1 -3.283 -29.754 26.551 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.074 -31.532 29.525 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.678 -31.614 27.876 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.535 -32.067 29.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.196 -29.563 29.781 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.735 -30.057 28.948 1.00 0.00 H new ATOM 8 N SER A 2 -3.548 -27.962 27.887 1.00 0.00 N ATOM 9 CA SER A 2 -3.969 -27.080 26.805 1.00 0.00 C ATOM 10 C SER A 2 -3.494 -25.652 27.052 1.00 0.00 C ATOM 11 O SER A 2 -3.438 -25.194 28.194 1.00 0.00 O ATOM 12 CB SER A 2 -5.493 -27.106 26.661 1.00 0.00 C ATOM 13 OG SER A 2 -5.915 -28.228 25.906 1.00 0.00 O ATOM 0 H SER A 2 -3.514 -27.517 28.804 1.00 0.00 H new ATOM 0 HA SER A 2 -3.518 -27.439 25.880 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.954 -27.134 27.648 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.831 -26.190 26.177 1.00 0.00 H new ATOM 0 HG SER A 2 -5.203 -28.901 25.895 1.00 0.00 H new ATOM 19 N SER A 3 -3.153 -24.953 25.975 1.00 0.00 N ATOM 20 CA SER A 3 -2.679 -23.577 26.074 1.00 0.00 C ATOM 21 C SER A 3 -2.566 -22.941 24.692 1.00 0.00 C ATOM 22 O SER A 3 -1.468 -22.677 24.205 1.00 0.00 O ATOM 23 CB SER A 3 -1.323 -23.533 26.780 1.00 0.00 C ATOM 24 OG SER A 3 -0.965 -22.202 27.113 1.00 0.00 O ATOM 0 H SER A 3 -3.196 -25.317 25.023 1.00 0.00 H new ATOM 0 HA SER A 3 -3.404 -23.010 26.658 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.360 -24.140 27.684 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.559 -23.968 26.135 1.00 0.00 H new ATOM 0 HG SER A 3 -0.095 -22.200 27.565 1.00 0.00 H new ATOM 30 N GLY A 4 -3.713 -22.696 24.065 1.00 0.00 N ATOM 31 CA GLY A 4 -3.723 -22.093 22.745 1.00 0.00 C ATOM 32 C GLY A 4 -4.909 -21.172 22.536 1.00 0.00 C ATOM 33 O GLY A 4 -6.050 -21.629 22.449 1.00 0.00 O ATOM 0 H GLY A 4 -4.635 -22.904 24.448 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.801 -21.531 22.599 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.740 -22.879 21.990 1.00 0.00 H new ATOM 37 N SER A 5 -4.642 -19.872 22.459 1.00 0.00 N ATOM 38 CA SER A 5 -5.697 -18.886 22.265 1.00 0.00 C ATOM 39 C SER A 5 -5.139 -17.468 22.357 1.00 0.00 C ATOM 40 O SER A 5 -3.935 -17.273 22.518 1.00 0.00 O ATOM 41 CB SER A 5 -6.803 -19.080 23.305 1.00 0.00 C ATOM 42 OG SER A 5 -8.081 -19.098 22.693 1.00 0.00 O ATOM 0 H SER A 5 -3.704 -19.478 22.528 1.00 0.00 H new ATOM 0 HA SER A 5 -6.116 -19.029 21.269 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.641 -20.014 23.843 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.760 -18.277 24.041 1.00 0.00 H new ATOM 0 HG SER A 5 -8.770 -19.225 23.378 1.00 0.00 H new ATOM 48 N SER A 6 -6.025 -16.483 22.253 1.00 0.00 N ATOM 49 CA SER A 6 -5.622 -15.083 22.321 1.00 0.00 C ATOM 50 C SER A 6 -4.689 -14.730 21.166 1.00 0.00 C ATOM 51 O SER A 6 -3.865 -15.542 20.749 1.00 0.00 O ATOM 52 CB SER A 6 -4.932 -14.793 23.655 1.00 0.00 C ATOM 53 OG SER A 6 -5.741 -13.969 24.479 1.00 0.00 O ATOM 0 H SER A 6 -7.026 -16.628 22.121 1.00 0.00 H new ATOM 0 HA SER A 6 -6.519 -14.468 22.243 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.719 -15.730 24.169 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.975 -14.304 23.474 1.00 0.00 H new ATOM 0 HG SER A 6 -5.279 -13.799 25.326 1.00 0.00 H new ATOM 59 N GLY A 7 -4.827 -13.510 20.654 1.00 0.00 N ATOM 60 CA GLY A 7 -3.991 -13.069 19.553 1.00 0.00 C ATOM 61 C GLY A 7 -4.801 -12.546 18.384 1.00 0.00 C ATOM 62 O GLY A 7 -4.858 -13.176 17.327 1.00 0.00 O ATOM 0 H GLY A 7 -5.503 -12.820 20.982 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.317 -12.287 19.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.369 -13.899 19.218 1.00 0.00 H new ATOM 66 N ASN A 8 -5.431 -11.391 18.571 1.00 0.00 N ATOM 67 CA ASN A 8 -6.245 -10.785 17.524 1.00 0.00 C ATOM 68 C ASN A 8 -5.583 -9.520 16.985 1.00 0.00 C ATOM 69 O ASN A 8 -5.566 -8.483 17.650 1.00 0.00 O ATOM 70 CB ASN A 8 -7.640 -10.456 18.060 1.00 0.00 C ATOM 71 CG ASN A 8 -8.330 -11.666 18.658 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.273 -11.894 19.866 1.00 0.00 O ATOM 73 ND2 ASN A 8 -8.987 -12.451 17.812 1.00 0.00 N ATOM 0 H ASN A 8 -5.393 -10.856 19.438 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.337 -11.502 16.708 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.561 -9.676 18.817 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.252 -10.055 17.252 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.470 -13.281 18.156 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.008 -12.224 16.818 1.00 0.00 H new ATOM 80 N THR A 9 -5.041 -9.612 15.776 1.00 0.00 N ATOM 81 CA THR A 9 -4.378 -8.477 15.147 1.00 0.00 C ATOM 82 C THR A 9 -4.273 -8.667 13.638 1.00 0.00 C ATOM 83 O THR A 9 -3.499 -9.496 13.159 1.00 0.00 O ATOM 84 CB THR A 9 -2.966 -8.260 15.724 1.00 0.00 C ATOM 85 OG1 THR A 9 -3.039 -8.095 17.145 1.00 0.00 O ATOM 86 CG2 THR A 9 -2.308 -7.039 15.100 1.00 0.00 C ATOM 0 H THR A 9 -5.048 -10.462 15.212 1.00 0.00 H new ATOM 0 HA THR A 9 -4.988 -7.599 15.358 1.00 0.00 H new ATOM 0 HB THR A 9 -2.362 -9.137 15.490 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.955 -7.856 17.400 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.312 -6.906 15.523 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.228 -7.180 14.022 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.911 -6.155 15.307 1.00 0.00 H new ATOM 94 N LYS A 10 -5.056 -7.894 12.893 1.00 0.00 N ATOM 95 CA LYS A 10 -5.050 -7.976 11.438 1.00 0.00 C ATOM 96 C LYS A 10 -5.620 -6.703 10.819 1.00 0.00 C ATOM 97 O LYS A 10 -5.028 -6.129 9.905 1.00 0.00 O ATOM 98 CB LYS A 10 -5.859 -9.188 10.971 1.00 0.00 C ATOM 99 CG LYS A 10 -5.805 -9.415 9.470 1.00 0.00 C ATOM 100 CD LYS A 10 -4.580 -10.221 9.073 1.00 0.00 C ATOM 101 CE LYS A 10 -4.482 -10.377 7.562 1.00 0.00 C ATOM 102 NZ LYS A 10 -4.682 -11.790 7.135 1.00 0.00 N ATOM 0 H LYS A 10 -5.703 -7.203 13.274 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.017 -8.088 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.488 -10.079 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.898 -9.059 11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.706 -9.937 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.792 -8.454 8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.682 -9.730 9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.623 -11.205 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.229 -9.744 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.505 -10.030 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.608 -11.854 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.954 -12.391 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.624 -12.113 7.435 1.00 0.00 H new ATOM 116 N GLN A 11 -6.770 -6.268 11.324 1.00 0.00 N ATOM 117 CA GLN A 11 -7.416 -5.063 10.821 1.00 0.00 C ATOM 118 C GLN A 11 -7.323 -3.930 11.837 1.00 0.00 C ATOM 119 O GLN A 11 -6.895 -4.135 12.974 1.00 0.00 O ATOM 120 CB GLN A 11 -8.883 -5.346 10.490 1.00 0.00 C ATOM 121 CG GLN A 11 -9.245 -5.062 9.041 1.00 0.00 C ATOM 122 CD GLN A 11 -10.477 -4.188 8.908 1.00 0.00 C ATOM 123 OE1 GLN A 11 -10.580 -3.140 9.547 1.00 0.00 O ATOM 124 NE2 GLN A 11 -11.419 -4.615 8.076 1.00 0.00 N ATOM 0 H GLN A 11 -7.273 -6.732 12.081 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.897 -4.756 9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.102 -6.390 10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.517 -4.742 11.139 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.403 -4.574 8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.415 -6.005 8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.291 -5.490 7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.270 -4.069 7.946 1.00 0.00 H new ATOM 133 N LEU A 12 -7.724 -2.733 11.421 1.00 0.00 N ATOM 134 CA LEU A 12 -7.685 -1.566 12.295 1.00 0.00 C ATOM 135 C LEU A 12 -9.032 -0.849 12.307 1.00 0.00 C ATOM 136 O LEU A 12 -9.623 -0.603 11.256 1.00 0.00 O ATOM 137 CB LEU A 12 -6.585 -0.603 11.844 1.00 0.00 C ATOM 138 CG LEU A 12 -5.164 -0.955 12.283 1.00 0.00 C ATOM 139 CD1 LEU A 12 -4.144 -0.231 11.418 1.00 0.00 C ATOM 140 CD2 LEU A 12 -4.958 -0.613 13.752 1.00 0.00 C ATOM 0 H LEU A 12 -8.080 -2.546 10.484 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.467 -1.908 13.307 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.604 -0.546 10.756 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.824 0.392 12.220 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.021 -2.028 12.157 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.138 -0.494 11.745 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.276 -0.525 10.377 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.286 0.846 11.511 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.941 -0.871 14.046 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.120 0.454 13.903 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.665 -1.177 14.360 1.00 0.00 H new ATOM 152 N ARG A 13 -9.508 -0.516 13.502 1.00 0.00 N ATOM 153 CA ARG A 13 -10.784 0.174 13.650 1.00 0.00 C ATOM 154 C ARG A 13 -10.725 1.567 13.027 1.00 0.00 C ATOM 155 O ARG A 13 -9.834 2.358 13.335 1.00 0.00 O ATOM 156 CB ARG A 13 -11.162 0.281 15.128 1.00 0.00 C ATOM 157 CG ARG A 13 -12.197 -0.741 15.568 1.00 0.00 C ATOM 158 CD ARG A 13 -13.573 -0.416 15.007 1.00 0.00 C ATOM 159 NE ARG A 13 -14.220 -1.591 14.427 1.00 0.00 N ATOM 160 CZ ARG A 13 -15.447 -1.580 13.920 1.00 0.00 C ATOM 161 NH1 ARG A 13 -16.158 -0.460 13.920 1.00 0.00 N ATOM 162 NH2 ARG A 13 -15.967 -2.689 13.410 1.00 0.00 N ATOM 0 H ARG A 13 -9.030 -0.713 14.381 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.545 -0.407 13.128 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.264 0.160 15.734 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.546 1.282 15.324 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.893 -1.734 15.237 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.244 -0.768 16.657 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.201 -0.011 15.800 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.480 0.359 14.246 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.700 -2.468 14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.762 0.395 14.310 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.100 -0.454 13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.424 -3.552 13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.910 -2.678 13.021 1.00 0.00 H new ATOM 176 N PHE A 14 -11.680 1.857 12.149 1.00 0.00 N ATOM 177 CA PHE A 14 -11.736 3.152 11.482 1.00 0.00 C ATOM 178 C PHE A 14 -11.718 4.289 12.500 1.00 0.00 C ATOM 179 O PHE A 14 -10.964 5.252 12.356 1.00 0.00 O ATOM 180 CB PHE A 14 -12.993 3.249 10.615 1.00 0.00 C ATOM 181 CG PHE A 14 -13.273 4.639 10.119 1.00 0.00 C ATOM 182 CD1 PHE A 14 -12.687 5.103 8.952 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.122 5.481 10.818 1.00 0.00 C ATOM 184 CE1 PHE A 14 -12.943 6.382 8.492 1.00 0.00 C ATOM 185 CE2 PHE A 14 -14.383 6.759 10.364 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.791 7.211 9.199 1.00 0.00 C ATOM 0 H PHE A 14 -12.425 1.213 11.883 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.856 3.243 10.845 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -12.888 2.581 9.760 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -13.850 2.898 11.190 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.023 4.458 8.395 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.586 5.134 11.729 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.480 6.732 7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.048 7.404 10.918 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.992 8.211 8.843 1.00 0.00 H new ATOM 196 N GLU A 15 -12.553 4.171 13.527 1.00 0.00 N ATOM 197 CA GLU A 15 -12.634 5.189 14.567 1.00 0.00 C ATOM 198 C GLU A 15 -11.251 5.499 15.133 1.00 0.00 C ATOM 199 O GLU A 15 -10.976 6.626 15.545 1.00 0.00 O ATOM 200 CB GLU A 15 -13.566 4.730 15.690 1.00 0.00 C ATOM 201 CG GLU A 15 -15.039 4.949 15.387 1.00 0.00 C ATOM 202 CD GLU A 15 -15.948 4.322 16.426 1.00 0.00 C ATOM 203 OE1 GLU A 15 -15.857 4.713 17.608 1.00 0.00 O ATOM 204 OE2 GLU A 15 -16.749 3.438 16.056 1.00 0.00 O ATOM 0 H GLU A 15 -13.183 3.380 13.661 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.037 6.098 14.120 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.397 3.670 15.881 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.309 5.264 16.605 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.240 6.019 15.332 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.271 4.531 14.407 1.00 0.00 H new ATOM 211 N ASP A 16 -10.386 4.492 15.149 1.00 0.00 N ATOM 212 CA ASP A 16 -9.031 4.656 15.664 1.00 0.00 C ATOM 213 C ASP A 16 -8.112 5.244 14.597 1.00 0.00 C ATOM 214 O ASP A 16 -7.405 6.221 14.844 1.00 0.00 O ATOM 215 CB ASP A 16 -8.480 3.313 16.145 1.00 0.00 C ATOM 216 CG ASP A 16 -7.145 3.454 16.850 1.00 0.00 C ATOM 217 OD1 ASP A 16 -7.139 3.859 18.032 1.00 0.00 O ATOM 218 OD2 ASP A 16 -6.107 3.160 16.221 1.00 0.00 O ATOM 0 H ASP A 16 -10.598 3.553 14.811 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.069 5.347 16.506 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.198 2.850 16.822 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.368 2.643 15.293 1.00 0.00 H new ATOM 223 N VAL A 17 -8.128 4.643 13.412 1.00 0.00 N ATOM 224 CA VAL A 17 -7.295 5.108 12.308 1.00 0.00 C ATOM 225 C VAL A 17 -7.590 6.566 11.975 1.00 0.00 C ATOM 226 O VAL A 17 -6.718 7.292 11.496 1.00 0.00 O ATOM 227 CB VAL A 17 -7.509 4.251 11.047 1.00 0.00 C ATOM 228 CG1 VAL A 17 -6.720 4.819 9.876 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.117 2.805 11.313 1.00 0.00 C ATOM 0 H VAL A 17 -8.708 3.834 13.191 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.258 5.015 12.630 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.567 4.275 10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.883 4.201 8.993 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.053 5.837 9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.658 4.827 10.122 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.275 2.213 10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.066 2.759 11.598 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.729 2.405 12.121 1.00 0.00 H new ATOM 239 N VAL A 18 -8.823 6.989 12.231 1.00 0.00 N ATOM 240 CA VAL A 18 -9.233 8.361 11.959 1.00 0.00 C ATOM 241 C VAL A 18 -8.876 9.281 13.122 1.00 0.00 C ATOM 242 O VAL A 18 -9.515 10.312 13.330 1.00 0.00 O ATOM 243 CB VAL A 18 -10.747 8.453 11.693 1.00 0.00 C ATOM 244 CG1 VAL A 18 -11.523 8.423 13.002 1.00 0.00 C ATOM 245 CG2 VAL A 18 -11.072 9.709 10.900 1.00 0.00 C ATOM 0 H VAL A 18 -9.556 6.401 12.627 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.695 8.681 11.067 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.048 7.589 11.101 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.591 8.489 12.794 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.313 7.492 13.528 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.222 9.267 13.623 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.146 9.758 10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.758 10.587 11.464 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.546 9.683 9.946 1.00 0.00 H new ATOM 255 N ASN A 19 -7.850 8.901 13.877 1.00 0.00 N ATOM 256 CA ASN A 19 -7.407 9.692 15.019 1.00 0.00 C ATOM 257 C ASN A 19 -6.159 9.084 15.651 1.00 0.00 C ATOM 258 O ASN A 19 -5.920 9.237 16.849 1.00 0.00 O ATOM 259 CB ASN A 19 -8.523 9.792 16.060 1.00 0.00 C ATOM 260 CG ASN A 19 -8.836 11.226 16.439 1.00 0.00 C ATOM 261 OD1 ASN A 19 -7.957 12.089 16.425 1.00 0.00 O ATOM 262 ND2 ASN A 19 -10.092 11.489 16.779 1.00 0.00 N ATOM 0 H ASN A 19 -7.310 8.050 13.718 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.161 10.692 14.663 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.423 9.318 15.669 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.233 9.238 16.953 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.361 12.437 17.043 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.788 10.743 16.777 1.00 0.00 H new ATOM 269 N GLN A 20 -5.366 8.394 14.837 1.00 0.00 N ATOM 270 CA GLN A 20 -4.143 7.762 15.318 1.00 0.00 C ATOM 271 C GLN A 20 -2.958 8.716 15.204 1.00 0.00 C ATOM 272 O GLN A 20 -2.158 8.840 16.131 1.00 0.00 O ATOM 273 CB GLN A 20 -3.860 6.483 14.528 1.00 0.00 C ATOM 274 CG GLN A 20 -4.358 5.222 15.216 1.00 0.00 C ATOM 275 CD GLN A 20 -3.266 4.186 15.395 1.00 0.00 C ATOM 276 OE1 GLN A 20 -2.419 4.307 16.280 1.00 0.00 O ATOM 277 NE2 GLN A 20 -3.281 3.158 14.555 1.00 0.00 N ATOM 0 H GLN A 20 -5.548 8.259 13.843 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.283 7.508 16.369 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.328 6.561 13.547 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.786 6.397 14.363 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.770 5.483 16.191 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.171 4.791 14.632 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.002 3.097 13.836 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.572 2.429 14.629 1.00 0.00 H new ATOM 286 N SER A 21 -2.851 9.387 14.062 1.00 0.00 N ATOM 287 CA SER A 21 -1.761 10.326 13.825 1.00 0.00 C ATOM 288 C SER A 21 -2.295 11.745 13.652 1.00 0.00 C ATOM 289 O SER A 21 -1.769 12.525 12.858 1.00 0.00 O ATOM 290 CB SER A 21 -0.965 9.914 12.586 1.00 0.00 C ATOM 291 OG SER A 21 -1.652 10.265 11.397 1.00 0.00 O ATOM 0 H SER A 21 -3.506 9.298 13.286 1.00 0.00 H new ATOM 0 HA SER A 21 -1.103 10.307 14.693 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.012 10.397 12.601 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.789 8.838 12.604 1.00 0.00 H new ATOM 0 HG SER A 21 -1.915 9.451 10.919 1.00 0.00 H new ATOM 297 N SER A 22 -3.342 12.071 14.403 1.00 0.00 N ATOM 298 CA SER A 22 -3.950 13.395 14.331 1.00 0.00 C ATOM 299 C SER A 22 -4.464 13.681 12.922 1.00 0.00 C ATOM 300 O SER A 22 -3.899 13.233 11.925 1.00 0.00 O ATOM 301 CB SER A 22 -2.940 14.467 14.745 1.00 0.00 C ATOM 302 OG SER A 22 -2.686 14.416 16.138 1.00 0.00 O ATOM 0 H SER A 22 -3.787 11.438 15.068 1.00 0.00 H new ATOM 0 HA SER A 22 -4.795 13.417 15.019 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.009 14.325 14.197 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.320 15.453 14.477 1.00 0.00 H new ATOM 0 HG SER A 22 -2.036 15.109 16.378 1.00 0.00 H new ATOM 308 N PRO A 23 -5.561 14.448 12.839 1.00 0.00 N ATOM 309 CA PRO A 23 -6.176 14.813 11.559 1.00 0.00 C ATOM 310 C PRO A 23 -5.316 15.785 10.760 1.00 0.00 C ATOM 311 O PRO A 23 -5.219 15.683 9.536 1.00 0.00 O ATOM 312 CB PRO A 23 -7.491 15.477 11.974 1.00 0.00 C ATOM 313 CG PRO A 23 -7.239 15.992 13.349 1.00 0.00 C ATOM 314 CD PRO A 23 -6.287 15.018 13.986 1.00 0.00 C ATOM 0 HA PRO A 23 -6.307 13.949 10.908 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.759 16.284 11.292 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.315 14.764 11.963 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.810 16.994 13.318 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.167 16.059 13.917 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.611 15.514 14.682 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.816 14.249 14.549 1.00 0.00 H new ATOM 322 N LYS A 24 -4.695 16.729 11.457 1.00 0.00 N ATOM 323 CA LYS A 24 -3.840 17.720 10.813 1.00 0.00 C ATOM 324 C LYS A 24 -2.897 17.060 9.814 1.00 0.00 C ATOM 325 O LYS A 24 -2.618 17.610 8.750 1.00 0.00 O ATOM 326 CB LYS A 24 -3.034 18.488 11.863 1.00 0.00 C ATOM 327 CG LYS A 24 -2.216 17.590 12.776 1.00 0.00 C ATOM 328 CD LYS A 24 -1.172 18.382 13.545 1.00 0.00 C ATOM 329 CE LYS A 24 0.224 18.156 12.985 1.00 0.00 C ATOM 330 NZ LYS A 24 0.908 19.439 12.665 1.00 0.00 N ATOM 0 H LYS A 24 -4.767 16.830 12.469 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.480 18.418 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.365 19.185 11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.717 19.084 12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.878 17.082 13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.725 16.817 12.184 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.415 19.444 13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.195 18.092 14.596 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.819 17.598 13.708 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.160 17.545 12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.856 19.242 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.354 19.961 11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.993 20.012 13.529 1.00 0.00 H new ATOM 344 N ASN A 25 -2.409 15.873 10.163 1.00 0.00 N ATOM 345 CA ASN A 25 -1.498 15.136 9.297 1.00 0.00 C ATOM 346 C ASN A 25 -2.158 13.867 8.764 1.00 0.00 C ATOM 347 O ASN A 25 -2.554 12.992 9.534 1.00 0.00 O ATOM 348 CB ASN A 25 -0.217 14.778 10.055 1.00 0.00 C ATOM 349 CG ASN A 25 0.405 13.486 9.561 1.00 0.00 C ATOM 350 OD1 ASN A 25 1.417 13.500 8.860 1.00 0.00 O ATOM 351 ND2 ASN A 25 -0.200 12.361 9.924 1.00 0.00 N ATOM 0 H ASN A 25 -2.630 15.402 11.040 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.246 15.775 8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.504 15.589 9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.440 14.687 11.118 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.172 11.461 9.621 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.037 12.397 10.506 1.00 0.00 H new ATOM 358 N CYS A 26 -2.274 13.777 7.444 1.00 0.00 N ATOM 359 CA CYS A 26 -2.887 12.615 6.809 1.00 0.00 C ATOM 360 C CYS A 26 -1.929 11.973 5.810 1.00 0.00 C ATOM 361 O CYS A 26 -1.739 12.476 4.702 1.00 0.00 O ATOM 362 CB CYS A 26 -4.182 13.019 6.103 1.00 0.00 C ATOM 363 SG CYS A 26 -4.682 14.732 6.398 1.00 0.00 S ATOM 0 H CYS A 26 -1.952 14.493 6.793 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.116 11.886 7.586 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.061 12.867 5.030 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.983 12.357 6.430 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.848 14.922 7.673 1.00 0.00 H new ATOM 369 N THR A 27 -1.325 10.859 6.211 1.00 0.00 N ATOM 370 CA THR A 27 -0.384 10.148 5.354 1.00 0.00 C ATOM 371 C THR A 27 -0.722 8.664 5.278 1.00 0.00 C ATOM 372 O THR A 27 -1.344 8.111 6.185 1.00 0.00 O ATOM 373 CB THR A 27 1.064 10.309 5.856 1.00 0.00 C ATOM 374 OG1 THR A 27 1.234 11.597 6.458 1.00 0.00 O ATOM 375 CG2 THR A 27 2.054 10.144 4.711 1.00 0.00 C ATOM 0 H THR A 27 -1.471 10.429 7.124 1.00 0.00 H new ATOM 0 HA THR A 27 -0.467 10.587 4.360 1.00 0.00 H new ATOM 0 HB THR A 27 1.257 9.534 6.598 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.108 11.962 6.207 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.070 10.262 5.088 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.942 9.152 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.860 10.900 3.950 1.00 0.00 H new ATOM 383 N VAL A 28 -0.308 8.023 4.190 1.00 0.00 N ATOM 384 CA VAL A 28 -0.566 6.601 3.996 1.00 0.00 C ATOM 385 C VAL A 28 0.703 5.864 3.579 1.00 0.00 C ATOM 386 O VAL A 28 1.176 6.011 2.452 1.00 0.00 O ATOM 387 CB VAL A 28 -1.655 6.367 2.933 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.772 4.886 2.605 1.00 0.00 C ATOM 389 CG2 VAL A 28 -2.989 6.925 3.406 1.00 0.00 C ATOM 0 H VAL A 28 0.208 8.466 3.429 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.913 6.209 4.952 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.369 6.894 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.547 4.740 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.819 4.522 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.034 4.333 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.747 6.751 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.284 6.428 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.893 7.996 3.584 1.00 0.00 H new ATOM 399 N TYR A 29 1.249 5.073 4.495 1.00 0.00 N ATOM 400 CA TYR A 29 2.464 4.314 4.223 1.00 0.00 C ATOM 401 C TYR A 29 2.130 2.925 3.687 1.00 0.00 C ATOM 402 O TYR A 29 1.493 2.121 4.368 1.00 0.00 O ATOM 403 CB TYR A 29 3.309 4.193 5.493 1.00 0.00 C ATOM 404 CG TYR A 29 4.573 3.385 5.304 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.530 1.997 5.238 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.809 4.007 5.190 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.682 1.254 5.067 1.00 0.00 C ATOM 408 CE2 TYR A 29 6.966 3.273 5.018 1.00 0.00 C ATOM 409 CZ TYR A 29 6.897 1.897 4.957 1.00 0.00 C ATOM 410 OH TYR A 29 8.047 1.160 4.784 1.00 0.00 O ATOM 0 H TYR A 29 0.870 4.940 5.433 1.00 0.00 H new ATOM 0 HA TYR A 29 3.035 4.849 3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.575 5.192 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.708 3.733 6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.580 1.491 5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.867 5.084 5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.631 0.176 5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.919 3.774 4.932 1.00 0.00 H new ATOM 0 HH TYR A 29 8.638 1.619 4.151 1.00 0.00 H new ATOM 420 N CYS A 30 2.567 2.652 2.463 1.00 0.00 N ATOM 421 CA CYS A 30 2.316 1.360 1.832 1.00 0.00 C ATOM 422 C CYS A 30 3.589 0.521 1.787 1.00 0.00 C ATOM 423 O CYS A 30 4.530 0.839 1.063 1.00 0.00 O ATOM 424 CB CYS A 30 1.770 1.557 0.417 1.00 0.00 C ATOM 425 SG CYS A 30 0.933 0.105 -0.260 1.00 0.00 S ATOM 0 H CYS A 30 3.096 3.307 1.888 1.00 0.00 H new ATOM 0 HA CYS A 30 1.574 0.830 2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.073 2.395 0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.593 1.830 -0.244 1.00 0.00 H new ATOM 0 HG CYS A 30 0.004 0.485 -1.086 1.00 0.00 H new ATOM 431 N GLY A 31 3.610 -0.554 2.570 1.00 0.00 N ATOM 432 CA GLY A 31 4.773 -1.422 2.606 1.00 0.00 C ATOM 433 C GLY A 31 4.437 -2.857 2.250 1.00 0.00 C ATOM 434 O GLY A 31 3.443 -3.405 2.725 1.00 0.00 O ATOM 0 H GLY A 31 2.843 -0.839 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.525 -1.045 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.214 -1.392 3.602 1.00 0.00 H new ATOM 438 N GLY A 32 5.267 -3.466 1.408 1.00 0.00 N ATOM 439 CA GLY A 32 5.034 -4.839 1.001 1.00 0.00 C ATOM 440 C GLY A 32 5.540 -5.123 -0.399 1.00 0.00 C ATOM 441 O GLY A 32 6.329 -6.045 -0.606 1.00 0.00 O ATOM 0 H GLY A 32 6.096 -3.033 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.525 -5.511 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.966 -5.052 1.048 1.00 0.00 H new ATOM 445 N ILE A 33 5.085 -4.329 -1.363 1.00 0.00 N ATOM 446 CA ILE A 33 5.496 -4.500 -2.751 1.00 0.00 C ATOM 447 C ILE A 33 7.006 -4.346 -2.899 1.00 0.00 C ATOM 448 O ILE A 33 7.640 -3.601 -2.154 1.00 0.00 O ATOM 449 CB ILE A 33 4.795 -3.487 -3.674 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.279 -3.544 -3.473 1.00 0.00 C ATOM 451 CG2 ILE A 33 5.153 -3.759 -5.127 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.610 -2.189 -3.527 1.00 0.00 C ATOM 0 H ILE A 33 4.432 -3.561 -1.208 1.00 0.00 H new ATOM 0 HA ILE A 33 5.205 -5.508 -3.045 1.00 0.00 H new ATOM 0 HB ILE A 33 5.139 -2.485 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.843 -4.186 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.066 -4.007 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.650 -3.035 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.232 -3.672 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.835 -4.766 -5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.537 -2.307 -3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.018 -1.550 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.792 -1.732 -4.500 1.00 0.00 H new ATOM 464 N ALA A 34 7.574 -5.056 -3.868 1.00 0.00 N ATOM 465 CA ALA A 34 9.009 -4.996 -4.118 1.00 0.00 C ATOM 466 C ALA A 34 9.319 -5.215 -5.594 1.00 0.00 C ATOM 467 O ALA A 34 10.213 -4.577 -6.153 1.00 0.00 O ATOM 468 CB ALA A 34 9.737 -6.024 -3.265 1.00 0.00 C ATOM 0 H ALA A 34 7.063 -5.679 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 34 9.359 -4.000 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.808 -5.968 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.551 -5.819 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.375 -7.022 -3.510 1.00 0.00 H new ATOM 474 N SER A 35 8.577 -6.122 -6.222 1.00 0.00 N ATOM 475 CA SER A 35 8.777 -6.429 -7.634 1.00 0.00 C ATOM 476 C SER A 35 7.594 -5.944 -8.467 1.00 0.00 C ATOM 477 O SER A 35 7.333 -6.458 -9.554 1.00 0.00 O ATOM 478 CB SER A 35 8.968 -7.934 -7.829 1.00 0.00 C ATOM 479 OG SER A 35 10.282 -8.228 -8.270 1.00 0.00 O ATOM 0 H SER A 35 7.832 -6.657 -5.776 1.00 0.00 H new ATOM 0 HA SER A 35 9.675 -5.910 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.771 -8.453 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.245 -8.304 -8.556 1.00 0.00 H new ATOM 0 HG SER A 35 10.379 -9.196 -8.386 1.00 0.00 H new ATOM 485 N GLY A 36 6.882 -4.948 -7.949 1.00 0.00 N ATOM 486 CA GLY A 36 5.735 -4.409 -8.657 1.00 0.00 C ATOM 487 C GLY A 36 5.294 -3.067 -8.109 1.00 0.00 C ATOM 488 O GLY A 36 4.101 -2.759 -8.084 1.00 0.00 O ATOM 0 H GLY A 36 7.079 -4.505 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.981 -4.303 -9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.907 -5.115 -8.591 1.00 0.00 H new ATOM 492 N LEU A 37 6.256 -2.266 -7.665 1.00 0.00 N ATOM 493 CA LEU A 37 5.960 -0.947 -7.114 1.00 0.00 C ATOM 494 C LEU A 37 6.055 0.129 -8.190 1.00 0.00 C ATOM 495 O LEU A 37 7.144 0.456 -8.661 1.00 0.00 O ATOM 496 CB LEU A 37 6.922 -0.626 -5.968 1.00 0.00 C ATOM 497 CG LEU A 37 6.313 0.086 -4.760 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.381 0.852 -3.995 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.196 1.023 -5.199 1.00 0.00 C ATOM 0 H LEU A 37 7.247 -2.506 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 37 4.939 -0.961 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.372 -1.558 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.729 -0.007 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 37 5.890 -0.668 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.928 1.352 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.147 0.159 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.835 1.595 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.775 1.521 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.596 1.770 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.417 0.450 -5.701 1.00 0.00 H new ATOM 511 N THR A 38 4.906 0.678 -8.573 1.00 0.00 N ATOM 512 CA THR A 38 4.860 1.718 -9.594 1.00 0.00 C ATOM 513 C THR A 38 3.825 2.781 -9.247 1.00 0.00 C ATOM 514 O THR A 38 2.689 2.464 -8.893 1.00 0.00 O ATOM 515 CB THR A 38 4.533 1.132 -10.980 1.00 0.00 C ATOM 516 OG1 THR A 38 3.381 0.285 -10.894 1.00 0.00 O ATOM 517 CG2 THR A 38 5.712 0.338 -11.523 1.00 0.00 C ATOM 0 H THR A 38 3.996 0.420 -8.192 1.00 0.00 H new ATOM 0 HA THR A 38 5.850 2.174 -9.626 1.00 0.00 H new ATOM 0 HB THR A 38 4.327 1.958 -11.660 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.178 -0.082 -11.780 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.458 -0.066 -12.503 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.580 0.991 -11.614 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.944 -0.481 -10.842 1.00 0.00 H new ATOM 525 N ASP A 39 4.223 4.045 -9.353 1.00 0.00 N ATOM 526 CA ASP A 39 3.328 5.156 -9.053 1.00 0.00 C ATOM 527 C ASP A 39 1.914 4.863 -9.544 1.00 0.00 C ATOM 528 O ASP A 39 0.934 5.288 -8.933 1.00 0.00 O ATOM 529 CB ASP A 39 3.847 6.444 -9.692 1.00 0.00 C ATOM 530 CG ASP A 39 2.728 7.395 -10.069 1.00 0.00 C ATOM 531 OD1 ASP A 39 2.113 7.981 -9.154 1.00 0.00 O ATOM 532 OD2 ASP A 39 2.469 7.555 -11.280 1.00 0.00 O ATOM 0 H ASP A 39 5.160 4.325 -9.644 1.00 0.00 H new ATOM 0 HA ASP A 39 3.298 5.284 -7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.525 6.942 -8.999 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.425 6.197 -10.582 1.00 0.00 H new ATOM 537 N GLN A 40 1.817 4.136 -10.653 1.00 0.00 N ATOM 538 CA GLN A 40 0.523 3.789 -11.228 1.00 0.00 C ATOM 539 C GLN A 40 -0.254 2.862 -10.299 1.00 0.00 C ATOM 540 O GLN A 40 -1.447 3.061 -10.062 1.00 0.00 O ATOM 541 CB GLN A 40 0.709 3.123 -12.593 1.00 0.00 C ATOM 542 CG GLN A 40 -0.599 2.815 -13.303 1.00 0.00 C ATOM 543 CD GLN A 40 -0.871 3.754 -14.461 1.00 0.00 C ATOM 544 OE1 GLN A 40 -0.411 3.527 -15.580 1.00 0.00 O ATOM 545 NE2 GLN A 40 -1.621 4.817 -14.197 1.00 0.00 N ATOM 0 H GLN A 40 2.619 3.776 -11.171 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.048 4.709 -11.355 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.312 3.774 -13.226 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.269 2.197 -12.463 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.575 1.789 -13.670 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.419 2.879 -12.588 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.981 4.966 -13.254 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.837 5.485 -14.937 1.00 0.00 H new ATOM 554 N LEU A 41 0.428 1.849 -9.776 1.00 0.00 N ATOM 555 CA LEU A 41 -0.199 0.890 -8.872 1.00 0.00 C ATOM 556 C LEU A 41 -0.806 1.597 -7.664 1.00 0.00 C ATOM 557 O LEU A 41 -1.990 1.439 -7.372 1.00 0.00 O ATOM 558 CB LEU A 41 0.825 -0.148 -8.409 1.00 0.00 C ATOM 559 CG LEU A 41 0.341 -1.143 -7.353 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.796 -1.991 -7.900 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.491 -2.024 -6.885 1.00 0.00 C ATOM 0 H LEU A 41 1.415 1.670 -9.962 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.999 0.386 -9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.163 -0.709 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.693 0.379 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.033 -0.582 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.127 -2.693 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.627 -1.346 -8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.450 -2.543 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.129 -2.726 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.895 -2.576 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.274 -1.401 -6.452 1.00 0.00 H new ATOM 573 N MET A 42 0.014 2.378 -6.968 1.00 0.00 N ATOM 574 CA MET A 42 -0.443 3.111 -5.794 1.00 0.00 C ATOM 575 C MET A 42 -1.533 4.111 -6.168 1.00 0.00 C ATOM 576 O MET A 42 -2.578 4.174 -5.523 1.00 0.00 O ATOM 577 CB MET A 42 0.729 3.839 -5.132 1.00 0.00 C ATOM 578 CG MET A 42 1.716 2.906 -4.450 1.00 0.00 C ATOM 579 SD MET A 42 0.962 1.950 -3.120 1.00 0.00 S ATOM 580 CE MET A 42 0.763 0.359 -3.919 1.00 0.00 C ATOM 0 H MET A 42 0.998 2.519 -7.197 1.00 0.00 H new ATOM 0 HA MET A 42 -0.860 2.393 -5.088 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.256 4.424 -5.886 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.340 4.544 -4.397 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.136 2.224 -5.189 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.544 3.490 -4.048 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.704 -0.423 -3.162 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.153 0.361 -4.511 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.616 0.170 -4.571 1.00 0.00 H new ATOM 590 N ARG A 43 -1.279 4.891 -7.213 1.00 0.00 N ATOM 591 CA ARG A 43 -2.238 5.890 -7.672 1.00 0.00 C ATOM 592 C ARG A 43 -3.562 5.237 -8.054 1.00 0.00 C ATOM 593 O ARG A 43 -4.632 5.805 -7.836 1.00 0.00 O ATOM 594 CB ARG A 43 -1.673 6.659 -8.867 1.00 0.00 C ATOM 595 CG ARG A 43 -2.372 7.984 -9.124 1.00 0.00 C ATOM 596 CD ARG A 43 -2.932 8.053 -10.536 1.00 0.00 C ATOM 597 NE ARG A 43 -4.202 8.772 -10.587 1.00 0.00 N ATOM 598 CZ ARG A 43 -4.850 9.042 -11.715 1.00 0.00 C ATOM 599 NH1 ARG A 43 -4.348 8.655 -12.880 1.00 0.00 N ATOM 600 NH2 ARG A 43 -6.001 9.700 -11.679 1.00 0.00 N ATOM 0 H ARG A 43 -0.418 4.851 -7.758 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.419 6.586 -6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.612 6.844 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.752 6.037 -9.759 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.180 8.116 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.670 8.803 -8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.211 8.545 -11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.072 7.043 -10.920 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.614 9.084 -9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.463 8.149 -12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.847 8.863 -13.745 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.390 9.999 -10.785 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.498 9.907 -12.546 1.00 0.00 H new ATOM 614 N GLN A 44 -3.482 4.039 -8.626 1.00 0.00 N ATOM 615 CA GLN A 44 -4.675 3.309 -9.040 1.00 0.00 C ATOM 616 C GLN A 44 -5.359 2.661 -7.842 1.00 0.00 C ATOM 617 O GLN A 44 -6.580 2.496 -7.824 1.00 0.00 O ATOM 618 CB GLN A 44 -4.312 2.242 -10.075 1.00 0.00 C ATOM 619 CG GLN A 44 -5.472 1.848 -10.973 1.00 0.00 C ATOM 620 CD GLN A 44 -5.567 0.349 -11.179 1.00 0.00 C ATOM 621 OE1 GLN A 44 -5.110 -0.434 -10.346 1.00 0.00 O ATOM 622 NE2 GLN A 44 -6.165 -0.060 -12.293 1.00 0.00 N ATOM 0 H GLN A 44 -2.604 3.554 -8.813 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.368 4.020 -9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.494 2.611 -10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.946 1.355 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.403 2.211 -10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.360 2.338 -11.940 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.530 0.623 -12.957 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.259 -1.057 -12.484 1.00 0.00 H new ATOM 631 N THR A 45 -4.566 2.294 -6.840 1.00 0.00 N ATOM 632 CA THR A 45 -5.095 1.662 -5.638 1.00 0.00 C ATOM 633 C THR A 45 -5.764 2.685 -4.728 1.00 0.00 C ATOM 634 O THR A 45 -6.783 2.399 -4.098 1.00 0.00 O ATOM 635 CB THR A 45 -3.987 0.938 -4.850 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.586 -0.248 -5.547 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.466 0.573 -3.453 1.00 0.00 C ATOM 0 H THR A 45 -3.554 2.424 -6.837 1.00 0.00 H new ATOM 0 HA THR A 45 -5.835 0.931 -5.965 1.00 0.00 H new ATOM 0 HB THR A 45 -3.136 1.613 -4.760 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.991 -0.007 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.666 0.063 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.744 1.479 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.332 -0.085 -3.526 1.00 0.00 H new ATOM 645 N PHE A 46 -5.185 3.880 -4.663 1.00 0.00 N ATOM 646 CA PHE A 46 -5.726 4.947 -3.828 1.00 0.00 C ATOM 647 C PHE A 46 -6.613 5.880 -4.647 1.00 0.00 C ATOM 648 O PHE A 46 -7.355 6.692 -4.094 1.00 0.00 O ATOM 649 CB PHE A 46 -4.591 5.741 -3.181 1.00 0.00 C ATOM 650 CG PHE A 46 -3.760 4.932 -2.226 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.336 4.352 -1.107 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.405 4.749 -2.448 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.574 3.607 -0.226 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.638 4.005 -1.571 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.224 3.432 -0.459 1.00 0.00 C ATOM 0 H PHE A 46 -4.342 4.134 -5.178 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.333 4.491 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.945 6.140 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.012 6.594 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.392 4.483 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.942 5.193 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.034 3.162 0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.582 3.872 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.628 2.848 0.227 1.00 0.00 H new ATOM 665 N SER A 47 -6.530 5.759 -5.968 1.00 0.00 N ATOM 666 CA SER A 47 -7.321 6.594 -6.863 1.00 0.00 C ATOM 667 C SER A 47 -8.771 6.673 -6.394 1.00 0.00 C ATOM 668 O SER A 47 -9.297 7.744 -6.096 1.00 0.00 O ATOM 669 CB SER A 47 -7.263 6.046 -8.290 1.00 0.00 C ATOM 670 OG SER A 47 -8.500 6.229 -8.958 1.00 0.00 O ATOM 0 H SER A 47 -5.923 5.090 -6.442 1.00 0.00 H new ATOM 0 HA SER A 47 -6.899 7.599 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.470 6.548 -8.844 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.013 4.985 -8.266 1.00 0.00 H new ATOM 0 HG SER A 47 -8.436 5.872 -9.868 1.00 0.00 H new ATOM 676 N PRO A 48 -9.434 5.508 -6.327 1.00 0.00 N ATOM 677 CA PRO A 48 -10.832 5.416 -5.895 1.00 0.00 C ATOM 678 C PRO A 48 -10.999 5.710 -4.408 1.00 0.00 C ATOM 679 O PRO A 48 -11.914 6.428 -4.006 1.00 0.00 O ATOM 680 CB PRO A 48 -11.202 3.963 -6.199 1.00 0.00 C ATOM 681 CG PRO A 48 -9.908 3.227 -6.164 1.00 0.00 C ATOM 682 CD PRO A 48 -8.869 4.191 -6.668 1.00 0.00 C ATOM 0 HA PRO A 48 -11.465 6.145 -6.401 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.901 3.570 -5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.683 3.872 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.675 2.896 -5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.949 2.335 -6.790 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.904 4.030 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.711 4.087 -7.741 1.00 0.00 H new ATOM 690 N PHE A 49 -10.108 5.151 -3.595 1.00 0.00 N ATOM 691 CA PHE A 49 -10.158 5.351 -2.152 1.00 0.00 C ATOM 692 C PHE A 49 -10.294 6.833 -1.814 1.00 0.00 C ATOM 693 O PHE A 49 -10.732 7.195 -0.723 1.00 0.00 O ATOM 694 CB PHE A 49 -8.902 4.779 -1.492 1.00 0.00 C ATOM 695 CG PHE A 49 -9.051 3.348 -1.060 1.00 0.00 C ATOM 696 CD1 PHE A 49 -10.152 2.945 -0.321 1.00 0.00 C ATOM 697 CD2 PHE A 49 -8.090 2.407 -1.392 1.00 0.00 C ATOM 698 CE1 PHE A 49 -10.291 1.629 0.079 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.224 1.089 -0.996 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.326 0.701 -0.260 1.00 0.00 C ATOM 0 H PHE A 49 -9.343 4.556 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.032 4.826 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.068 4.855 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.648 5.388 -0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.910 3.667 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.226 2.706 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.153 1.327 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.468 0.365 -1.262 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.433 -0.328 0.050 1.00 0.00 H new ATOM 710 N GLY A 50 -9.913 7.687 -2.760 1.00 0.00 N ATOM 711 CA GLY A 50 -9.998 9.120 -2.543 1.00 0.00 C ATOM 712 C GLY A 50 -9.035 9.897 -3.419 1.00 0.00 C ATOM 713 O GLY A 50 -8.590 9.401 -4.453 1.00 0.00 O ATOM 0 H GLY A 50 -9.547 7.412 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.016 9.455 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.789 9.339 -1.496 1.00 0.00 H new ATOM 717 N GLN A 51 -8.715 11.118 -3.004 1.00 0.00 N ATOM 718 CA GLN A 51 -7.800 11.966 -3.760 1.00 0.00 C ATOM 719 C GLN A 51 -6.393 11.903 -3.176 1.00 0.00 C ATOM 720 O GLN A 51 -6.218 11.787 -1.963 1.00 0.00 O ATOM 721 CB GLN A 51 -8.299 13.411 -3.766 1.00 0.00 C ATOM 722 CG GLN A 51 -9.035 13.796 -5.039 1.00 0.00 C ATOM 723 CD GLN A 51 -10.386 14.428 -4.764 1.00 0.00 C ATOM 724 OE1 GLN A 51 -10.624 14.963 -3.680 1.00 0.00 O ATOM 725 NE2 GLN A 51 -11.278 14.369 -5.746 1.00 0.00 N ATOM 0 H GLN A 51 -9.075 11.542 -2.149 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.765 11.597 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.962 13.561 -2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.449 14.080 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.422 14.492 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -9.172 12.909 -5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -11.037 13.916 -6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.204 14.777 -5.619 1.00 0.00 H new ATOM 734 N ILE A 52 -5.392 11.981 -4.048 1.00 0.00 N ATOM 735 CA ILE A 52 -4.000 11.933 -3.618 1.00 0.00 C ATOM 736 C ILE A 52 -3.272 13.227 -3.968 1.00 0.00 C ATOM 737 O ILE A 52 -3.426 13.759 -5.067 1.00 0.00 O ATOM 738 CB ILE A 52 -3.254 10.748 -4.258 1.00 0.00 C ATOM 739 CG1 ILE A 52 -3.955 9.431 -3.919 1.00 0.00 C ATOM 740 CG2 ILE A 52 -1.806 10.720 -3.791 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.641 8.313 -4.886 1.00 0.00 C ATOM 0 H ILE A 52 -5.520 12.078 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.008 11.805 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.264 10.874 -5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.666 9.123 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.032 9.596 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.291 9.877 -4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.313 11.648 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.775 10.615 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.172 7.410 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.956 8.600 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.568 8.121 -4.884 1.00 0.00 H new ATOM 753 N MET A 53 -2.480 13.727 -3.026 1.00 0.00 N ATOM 754 CA MET A 53 -1.726 14.958 -3.236 1.00 0.00 C ATOM 755 C MET A 53 -0.343 14.657 -3.805 1.00 0.00 C ATOM 756 O MET A 53 0.169 15.401 -4.641 1.00 0.00 O ATOM 757 CB MET A 53 -1.594 15.730 -1.923 1.00 0.00 C ATOM 758 CG MET A 53 -2.874 16.427 -1.495 1.00 0.00 C ATOM 759 SD MET A 53 -3.158 17.968 -2.388 1.00 0.00 S ATOM 760 CE MET A 53 -4.682 17.585 -3.248 1.00 0.00 C ATOM 0 H MET A 53 -2.343 13.299 -2.110 1.00 0.00 H new ATOM 0 HA MET A 53 -2.270 15.570 -3.955 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.285 15.042 -1.136 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.803 16.473 -2.026 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.719 15.757 -1.656 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.830 16.634 -0.426 1.00 0.00 H new ATOM 0 HE1 MET A 53 -4.988 18.444 -3.846 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.526 16.726 -3.900 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.461 17.352 -2.522 1.00 0.00 H new ATOM 770 N GLU A 54 0.256 13.562 -3.345 1.00 0.00 N ATOM 771 CA GLU A 54 1.581 13.165 -3.810 1.00 0.00 C ATOM 772 C GLU A 54 1.795 11.666 -3.625 1.00 0.00 C ATOM 773 O GLU A 54 1.177 11.041 -2.762 1.00 0.00 O ATOM 774 CB GLU A 54 2.663 13.943 -3.056 1.00 0.00 C ATOM 775 CG GLU A 54 3.895 14.237 -3.895 1.00 0.00 C ATOM 776 CD GLU A 54 4.969 14.972 -3.116 1.00 0.00 C ATOM 777 OE1 GLU A 54 4.627 15.627 -2.108 1.00 0.00 O ATOM 778 OE2 GLU A 54 6.150 14.895 -3.514 1.00 0.00 O ATOM 0 H GLU A 54 -0.154 12.935 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 54 1.651 13.396 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.242 14.884 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.961 13.374 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.303 13.300 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.607 14.833 -4.761 1.00 0.00 H new ATOM 785 N ILE A 55 2.675 11.096 -4.441 1.00 0.00 N ATOM 786 CA ILE A 55 2.971 9.670 -4.368 1.00 0.00 C ATOM 787 C ILE A 55 4.465 9.411 -4.527 1.00 0.00 C ATOM 788 O ILE A 55 5.097 9.916 -5.456 1.00 0.00 O ATOM 789 CB ILE A 55 2.206 8.881 -5.446 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.698 8.982 -5.210 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.651 7.425 -5.451 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.112 8.020 -6.051 1.00 0.00 C ATOM 0 H ILE A 55 3.195 11.599 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 55 2.649 9.330 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 55 2.431 9.314 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.490 8.794 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.373 10.000 -5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.102 6.879 -6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.719 7.372 -5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.451 6.980 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.172 8.148 -5.831 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.066 8.221 -7.107 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.185 6.997 -5.821 1.00 0.00 H new ATOM 804 N ARG A 56 5.023 8.619 -3.618 1.00 0.00 N ATOM 805 CA ARG A 56 6.443 8.291 -3.658 1.00 0.00 C ATOM 806 C ARG A 56 6.657 6.785 -3.534 1.00 0.00 C ATOM 807 O ARG A 56 6.427 6.200 -2.475 1.00 0.00 O ATOM 808 CB ARG A 56 7.188 9.017 -2.535 1.00 0.00 C ATOM 809 CG ARG A 56 8.053 10.167 -3.024 1.00 0.00 C ATOM 810 CD ARG A 56 9.253 9.666 -3.812 1.00 0.00 C ATOM 811 NE ARG A 56 10.161 10.750 -4.176 1.00 0.00 N ATOM 812 CZ ARG A 56 10.917 11.401 -3.299 1.00 0.00 C ATOM 813 NH1 ARG A 56 10.873 11.079 -2.014 1.00 0.00 N ATOM 814 NH2 ARG A 56 11.718 12.377 -3.707 1.00 0.00 N ATOM 0 H ARG A 56 4.513 8.192 -2.844 1.00 0.00 H new ATOM 0 HA ARG A 56 6.839 8.619 -4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.463 9.399 -1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.816 8.301 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.457 10.831 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.395 10.754 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.791 8.926 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.909 9.163 -4.716 1.00 0.00 H new ATOM 0 HE ARG A 56 10.218 11.022 -5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.258 10.330 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.454 11.580 -1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.754 12.628 -4.695 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.298 12.876 -3.033 1.00 0.00 H new ATOM 828 N VAL A 57 7.099 6.164 -4.623 1.00 0.00 N ATOM 829 CA VAL A 57 7.345 4.727 -4.636 1.00 0.00 C ATOM 830 C VAL A 57 8.824 4.421 -4.429 1.00 0.00 C ATOM 831 O VAL A 57 9.691 5.054 -5.032 1.00 0.00 O ATOM 832 CB VAL A 57 6.881 4.090 -5.960 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.491 4.584 -6.332 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.877 4.387 -7.071 1.00 0.00 C ATOM 0 H VAL A 57 7.294 6.633 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 57 6.770 4.300 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 57 6.832 3.009 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.180 4.123 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.787 4.315 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.509 5.668 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.534 3.930 -7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.960 5.465 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.852 3.979 -6.804 1.00 0.00 H new ATOM 844 N PHE A 58 9.106 3.445 -3.572 1.00 0.00 N ATOM 845 CA PHE A 58 10.481 3.054 -3.283 1.00 0.00 C ATOM 846 C PHE A 58 10.675 1.556 -3.492 1.00 0.00 C ATOM 847 O PHE A 58 10.619 0.760 -2.554 1.00 0.00 O ATOM 848 CB PHE A 58 10.852 3.434 -1.848 1.00 0.00 C ATOM 849 CG PHE A 58 10.901 4.917 -1.613 1.00 0.00 C ATOM 850 CD1 PHE A 58 12.036 5.644 -1.930 1.00 0.00 C ATOM 851 CD2 PHE A 58 9.811 5.583 -1.076 1.00 0.00 C ATOM 852 CE1 PHE A 58 12.085 7.008 -1.714 1.00 0.00 C ATOM 853 CE2 PHE A 58 9.854 6.947 -0.859 1.00 0.00 C ATOM 854 CZ PHE A 58 10.991 7.660 -1.179 1.00 0.00 C ATOM 0 H PHE A 58 8.400 2.910 -3.065 1.00 0.00 H new ATOM 0 HA PHE A 58 11.136 3.587 -3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.128 2.990 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.824 3.004 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.893 5.139 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.918 5.030 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.977 7.563 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.998 7.455 -0.439 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.026 8.726 -1.011 1.00 0.00 H new ATOM 864 N PRO A 59 10.911 1.160 -4.751 1.00 0.00 N ATOM 865 CA PRO A 59 11.118 -0.246 -5.114 1.00 0.00 C ATOM 866 C PRO A 59 12.444 -0.789 -4.592 1.00 0.00 C ATOM 867 O PRO A 59 12.759 -1.964 -4.776 1.00 0.00 O ATOM 868 CB PRO A 59 11.116 -0.222 -6.644 1.00 0.00 C ATOM 869 CG PRO A 59 11.535 1.162 -7.002 1.00 0.00 C ATOM 870 CD PRO A 59 10.992 2.053 -5.919 1.00 0.00 C ATOM 0 HA PRO A 59 10.355 -0.895 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.804 -0.962 -7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.128 -0.452 -7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.621 1.238 -7.062 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.141 1.449 -7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.649 2.902 -5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.015 2.458 -6.184 1.00 0.00 H new ATOM 878 N GLU A 60 13.216 0.074 -3.939 1.00 0.00 N ATOM 879 CA GLU A 60 14.508 -0.322 -3.391 1.00 0.00 C ATOM 880 C GLU A 60 14.377 -0.723 -1.924 1.00 0.00 C ATOM 881 O GLU A 60 15.128 -1.565 -1.430 1.00 0.00 O ATOM 882 CB GLU A 60 15.517 0.820 -3.530 1.00 0.00 C ATOM 883 CG GLU A 60 15.161 2.050 -2.712 1.00 0.00 C ATOM 884 CD GLU A 60 16.381 2.854 -2.306 1.00 0.00 C ATOM 885 OE1 GLU A 60 17.480 2.267 -2.228 1.00 0.00 O ATOM 886 OE2 GLU A 60 16.235 4.072 -2.067 1.00 0.00 O ATOM 0 H GLU A 60 12.970 1.050 -3.777 1.00 0.00 H new ATOM 0 HA GLU A 60 14.865 -1.184 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.501 0.463 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.592 1.102 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.489 2.684 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.619 1.743 -1.818 1.00 0.00 H new ATOM 893 N LYS A 61 13.419 -0.115 -1.234 1.00 0.00 N ATOM 894 CA LYS A 61 13.187 -0.409 0.175 1.00 0.00 C ATOM 895 C LYS A 61 12.008 -1.362 0.346 1.00 0.00 C ATOM 896 O LYS A 61 11.991 -2.185 1.261 1.00 0.00 O ATOM 897 CB LYS A 61 12.926 0.885 0.951 1.00 0.00 C ATOM 898 CG LYS A 61 14.120 1.359 1.762 1.00 0.00 C ATOM 899 CD LYS A 61 15.328 1.618 0.877 1.00 0.00 C ATOM 900 CE LYS A 61 16.630 1.348 1.616 1.00 0.00 C ATOM 901 NZ LYS A 61 17.757 2.151 1.066 1.00 0.00 N ATOM 0 H LYS A 61 12.790 0.585 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 61 14.081 -0.890 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.640 1.668 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.080 0.733 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.858 2.271 2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.372 0.610 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.273 0.985 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.312 2.652 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.502 1.579 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.873 0.288 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.660 1.697 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.670 2.209 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.730 3.109 1.470 1.00 0.00 H new ATOM 915 N GLY A 62 11.025 -1.245 -0.541 1.00 0.00 N ATOM 916 CA GLY A 62 9.857 -2.104 -0.470 1.00 0.00 C ATOM 917 C GLY A 62 8.667 -1.412 0.164 1.00 0.00 C ATOM 918 O GLY A 62 7.909 -2.029 0.914 1.00 0.00 O ATOM 0 H GLY A 62 11.016 -0.571 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.590 -2.433 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.102 -2.998 0.103 1.00 0.00 H new ATOM 922 N TYR A 63 8.502 -0.129 -0.134 1.00 0.00 N ATOM 923 CA TYR A 63 7.397 0.648 0.416 1.00 0.00 C ATOM 924 C TYR A 63 7.099 1.864 -0.455 1.00 0.00 C ATOM 925 O TYR A 63 7.780 2.111 -1.451 1.00 0.00 O ATOM 926 CB TYR A 63 7.722 1.097 1.842 1.00 0.00 C ATOM 927 CG TYR A 63 8.454 2.418 1.909 1.00 0.00 C ATOM 928 CD1 TYR A 63 9.782 2.521 1.513 1.00 0.00 C ATOM 929 CD2 TYR A 63 7.818 3.564 2.369 1.00 0.00 C ATOM 930 CE1 TYR A 63 10.455 3.726 1.573 1.00 0.00 C ATOM 931 CE2 TYR A 63 8.482 4.774 2.431 1.00 0.00 C ATOM 932 CZ TYR A 63 9.800 4.849 2.032 1.00 0.00 C ATOM 933 OH TYR A 63 10.466 6.053 2.094 1.00 0.00 O ATOM 0 H TYR A 63 9.119 0.396 -0.754 1.00 0.00 H new ATOM 0 HA TYR A 63 6.513 0.011 0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.795 1.176 2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.327 0.331 2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 63 10.297 1.643 1.152 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.786 3.508 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.488 3.788 1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.972 5.656 2.790 1.00 0.00 H new ATOM 0 HH TYR A 63 10.407 6.504 1.226 1.00 0.00 H new ATOM 943 N SER A 64 6.076 2.621 -0.074 1.00 0.00 N ATOM 944 CA SER A 64 5.683 3.809 -0.822 1.00 0.00 C ATOM 945 C SER A 64 4.997 4.823 0.090 1.00 0.00 C ATOM 946 O SER A 64 4.714 4.536 1.254 1.00 0.00 O ATOM 947 CB SER A 64 4.750 3.429 -1.972 1.00 0.00 C ATOM 948 OG SER A 64 4.566 4.518 -2.862 1.00 0.00 O ATOM 0 H SER A 64 5.504 2.433 0.749 1.00 0.00 H new ATOM 0 HA SER A 64 6.585 4.265 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.164 2.578 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.786 3.114 -1.573 1.00 0.00 H new ATOM 0 HG SER A 64 5.303 5.155 -2.757 1.00 0.00 H new ATOM 954 N PHE A 65 4.735 6.010 -0.447 1.00 0.00 N ATOM 955 CA PHE A 65 4.083 7.067 0.317 1.00 0.00 C ATOM 956 C PHE A 65 2.868 7.609 -0.430 1.00 0.00 C ATOM 957 O PHE A 65 2.826 7.598 -1.660 1.00 0.00 O ATOM 958 CB PHE A 65 5.070 8.202 0.600 1.00 0.00 C ATOM 959 CG PHE A 65 5.891 7.989 1.840 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.291 7.582 3.021 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.260 8.194 1.823 1.00 0.00 C ATOM 962 CE1 PHE A 65 6.044 7.384 4.165 1.00 0.00 C ATOM 963 CE2 PHE A 65 8.018 7.997 2.963 1.00 0.00 C ATOM 964 CZ PHE A 65 7.409 7.592 4.135 1.00 0.00 C ATOM 0 H PHE A 65 4.964 6.264 -1.408 1.00 0.00 H new ATOM 0 HA PHE A 65 3.746 6.643 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.738 8.312 -0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.518 9.137 0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.224 7.418 3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.741 8.511 0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.565 7.067 5.080 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.085 8.160 2.937 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.999 7.438 5.026 1.00 0.00 H new ATOM 974 N VAL A 66 1.880 8.083 0.324 1.00 0.00 N ATOM 975 CA VAL A 66 0.664 8.630 -0.266 1.00 0.00 C ATOM 976 C VAL A 66 -0.052 9.555 0.711 1.00 0.00 C ATOM 977 O VAL A 66 -0.570 9.112 1.736 1.00 0.00 O ATOM 978 CB VAL A 66 -0.301 7.511 -0.698 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.627 8.097 -1.159 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.325 6.660 -1.792 1.00 0.00 C ATOM 0 H VAL A 66 1.898 8.099 1.344 1.00 0.00 H new ATOM 0 HA VAL A 66 0.966 9.199 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.494 6.870 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.296 7.291 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.080 8.658 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.456 8.762 -2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.371 5.874 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.550 7.286 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.245 6.209 -1.421 1.00 0.00 H new ATOM 990 N ARG A 67 -0.076 10.844 0.386 1.00 0.00 N ATOM 991 CA ARG A 67 -0.728 11.834 1.236 1.00 0.00 C ATOM 992 C ARG A 67 -2.114 12.182 0.700 1.00 0.00 C ATOM 993 O ARG A 67 -2.301 12.349 -0.506 1.00 0.00 O ATOM 994 CB ARG A 67 0.126 13.098 1.331 1.00 0.00 C ATOM 995 CG ARG A 67 1.176 13.043 2.430 1.00 0.00 C ATOM 996 CD ARG A 67 2.445 12.354 1.954 1.00 0.00 C ATOM 997 NE ARG A 67 3.105 13.098 0.885 1.00 0.00 N ATOM 998 CZ ARG A 67 4.341 12.844 0.468 1.00 0.00 C ATOM 999 NH1 ARG A 67 5.045 11.871 1.026 1.00 0.00 N ATOM 1000 NH2 ARG A 67 4.873 13.566 -0.510 1.00 0.00 N ATOM 0 H ARG A 67 0.348 11.227 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.839 11.404 2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.622 13.264 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.526 13.954 1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.412 14.055 2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.774 12.512 3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.131 12.239 2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.202 11.352 1.601 1.00 0.00 H new ATOM 0 HE ARG A 67 2.589 13.854 0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.639 11.314 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.993 11.678 0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.333 14.316 -0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.822 13.371 -0.830 1.00 0.00 H new ATOM 1014 N PHE A 68 -3.083 12.290 1.603 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.451 12.617 1.221 1.00 0.00 C ATOM 1016 C PHE A 68 -4.819 14.027 1.672 1.00 0.00 C ATOM 1017 O PHE A 68 -4.209 14.576 2.588 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.427 11.604 1.824 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.434 10.281 1.115 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.403 9.374 1.303 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.469 9.944 0.258 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.406 8.155 0.653 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.477 8.726 -0.395 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.443 7.831 -0.199 1.00 0.00 C ATOM 0 H PHE A 68 -2.946 12.156 2.605 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.519 12.573 0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.171 11.444 2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.433 12.024 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.587 9.623 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.279 10.641 0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.598 7.456 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.291 8.474 -1.058 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.446 6.880 -0.711 1.00 0.00 H new ATOM 1034 N SER A 69 -5.822 14.607 1.020 1.00 0.00 N ATOM 1035 CA SER A 69 -6.270 15.955 1.349 1.00 0.00 C ATOM 1036 C SER A 69 -7.039 15.965 2.667 1.00 0.00 C ATOM 1037 O SER A 69 -7.169 17.003 3.318 1.00 0.00 O ATOM 1038 CB SER A 69 -7.149 16.513 0.228 1.00 0.00 C ATOM 1039 OG SER A 69 -7.287 17.919 0.340 1.00 0.00 O ATOM 0 H SER A 69 -6.340 14.164 0.261 1.00 0.00 H new ATOM 0 HA SER A 69 -5.389 16.587 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.713 16.263 -0.739 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.132 16.044 0.265 1.00 0.00 H new ATOM 0 HG SER A 69 -7.852 18.251 -0.389 1.00 0.00 H new ATOM 1045 N THR A 70 -7.550 14.801 3.055 1.00 0.00 N ATOM 1046 CA THR A 70 -8.308 14.674 4.293 1.00 0.00 C ATOM 1047 C THR A 70 -7.857 13.456 5.092 1.00 0.00 C ATOM 1048 O THR A 70 -7.100 12.621 4.596 1.00 0.00 O ATOM 1049 CB THR A 70 -9.820 14.560 4.017 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.089 13.394 3.232 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.330 15.795 3.290 1.00 0.00 C ATOM 0 H THR A 70 -7.452 13.932 2.529 1.00 0.00 H new ATOM 0 HA THR A 70 -8.118 15.577 4.873 1.00 0.00 H new ATOM 0 HB THR A 70 -10.337 14.480 4.973 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.052 13.329 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.399 15.693 3.105 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.150 16.678 3.903 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.806 15.900 2.340 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.326 13.360 6.332 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.972 12.243 7.200 1.00 0.00 C ATOM 1061 C HIS A 71 -8.923 11.069 6.991 1.00 0.00 C ATOM 1062 O HIS A 71 -8.551 9.913 7.192 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.995 12.679 8.664 1.00 0.00 C ATOM 1064 CG HIS A 71 -7.209 11.783 9.570 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -7.610 10.957 10.564 1.00 0.00 N flip ATOM 1066 CD2 HIS A 71 -5.836 11.667 9.508 1.00 0.00 C flip ATOM 1067 CE1 HIS A 71 -6.484 10.363 11.079 1.00 0.00 C flip ATOM 1068 NE2 HIS A 71 -5.427 10.808 10.424 1.00 0.00 N flip ATOM 0 H HIS A 71 -8.952 14.043 6.758 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.963 11.921 6.941 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.601 13.693 8.738 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.029 12.713 9.008 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.195 12.196 8.818 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.466 9.648 11.888 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.459 10.535 10.596 1.00 0.00 H new ATOM 1076 N GLU A 72 -10.152 11.375 6.587 1.00 0.00 N ATOM 1077 CA GLU A 72 -11.157 10.344 6.352 1.00 0.00 C ATOM 1078 C GLU A 72 -10.769 9.465 5.166 1.00 0.00 C ATOM 1079 O GLU A 72 -10.674 8.245 5.289 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.525 10.982 6.103 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.202 11.485 7.367 1.00 0.00 C ATOM 1082 CD GLU A 72 -13.538 12.961 7.300 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -14.424 13.334 6.503 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -12.916 13.746 8.048 1.00 0.00 O ATOM 0 H GLU A 72 -10.476 12.327 6.416 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.213 9.718 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.407 11.814 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.174 10.252 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.116 10.915 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.550 11.303 8.221 1.00 0.00 H new ATOM 1091 N SER A 73 -10.547 10.097 4.018 1.00 0.00 N ATOM 1092 CA SER A 73 -10.173 9.373 2.808 1.00 0.00 C ATOM 1093 C SER A 73 -9.017 8.417 3.081 1.00 0.00 C ATOM 1094 O SER A 73 -9.045 7.258 2.669 1.00 0.00 O ATOM 1095 CB SER A 73 -9.788 10.356 1.700 1.00 0.00 C ATOM 1096 OG SER A 73 -8.849 11.309 2.168 1.00 0.00 O ATOM 0 H SER A 73 -10.619 11.108 3.900 1.00 0.00 H new ATOM 0 HA SER A 73 -11.034 8.789 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.367 9.810 0.855 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.680 10.867 1.337 1.00 0.00 H new ATOM 0 HG SER A 73 -9.309 12.152 2.364 1.00 0.00 H new ATOM 1102 N ALA A 74 -8.001 8.912 3.780 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.835 8.102 4.111 1.00 0.00 C ATOM 1104 C ALA A 74 -7.194 7.004 5.107 1.00 0.00 C ATOM 1105 O ALA A 74 -6.655 5.901 5.049 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.724 8.980 4.669 1.00 0.00 C ATOM 0 H ALA A 74 -7.962 9.870 4.128 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.483 7.626 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.859 8.362 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.440 9.725 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.075 9.483 5.570 1.00 0.00 H new ATOM 1112 N ALA A 75 -8.106 7.317 6.022 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.538 6.356 7.030 1.00 0.00 C ATOM 1114 C ALA A 75 -9.263 5.177 6.390 1.00 0.00 C ATOM 1115 O ALA A 75 -9.139 4.039 6.843 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.433 7.035 8.056 1.00 0.00 C ATOM 0 H ALA A 75 -8.560 8.228 6.086 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.651 5.972 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.748 6.306 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.882 7.839 8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.311 7.447 7.558 1.00 0.00 H new ATOM 1122 N HIS A 76 -10.022 5.457 5.334 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.766 4.419 4.632 1.00 0.00 C ATOM 1124 C HIS A 76 -9.829 3.537 3.813 1.00 0.00 C ATOM 1125 O HIS A 76 -9.969 2.314 3.795 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.822 5.047 3.720 1.00 0.00 C ATOM 1127 CG HIS A 76 -13.075 5.443 4.438 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -14.129 4.578 4.646 1.00 0.00 N ATOM 1129 CD2 HIS A 76 -13.439 6.619 5.000 1.00 0.00 C ATOM 1130 CE1 HIS A 76 -15.088 5.206 5.303 1.00 0.00 C ATOM 1131 NE2 HIS A 76 -14.694 6.446 5.531 1.00 0.00 N ATOM 0 H HIS A 76 -10.137 6.394 4.947 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.263 3.797 5.376 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.396 5.927 3.237 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -12.074 4.340 2.929 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -12.852 7.525 5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.033 4.778 5.603 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.234 7.159 6.022 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.875 4.166 3.134 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.915 3.438 2.315 1.00 0.00 C ATOM 1141 C ALA A 77 -7.011 2.561 3.175 1.00 0.00 C ATOM 1142 O ALA A 77 -6.660 1.447 2.786 1.00 0.00 O ATOM 1143 CB ALA A 77 -7.081 4.409 1.491 1.00 0.00 C ATOM 0 H ALA A 77 -8.747 5.178 3.135 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.471 2.788 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.368 3.852 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.735 4.990 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.542 5.082 2.158 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.639 3.071 4.344 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.777 2.332 5.258 1.00 0.00 C ATOM 1151 C ILE A 78 -6.519 1.157 5.885 1.00 0.00 C ATOM 1152 O ILE A 78 -6.181 -0.003 5.646 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.238 3.240 6.380 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.270 4.276 5.805 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.554 2.407 7.454 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -3.952 5.403 6.763 1.00 0.00 C ATOM 0 H ILE A 78 -6.921 3.992 4.680 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.940 1.958 4.669 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.077 3.766 6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.343 3.778 5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.697 4.694 4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.179 3.063 8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.270 1.704 7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.723 1.857 7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.261 6.099 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.871 5.927 7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.495 4.996 7.665 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.533 1.464 6.687 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.326 0.432 7.346 1.00 0.00 C ATOM 1170 C VAL A 79 -8.604 -0.733 6.404 1.00 0.00 C ATOM 1171 O VAL A 79 -8.684 -1.884 6.830 1.00 0.00 O ATOM 1172 CB VAL A 79 -9.666 0.996 7.858 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -9.435 1.950 9.020 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.418 1.686 6.730 1.00 0.00 C ATOM 0 H VAL A 79 -7.825 2.419 6.896 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.741 0.077 8.195 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.277 0.168 8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.392 2.338 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.941 1.419 9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.806 2.777 8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.362 2.078 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.815 2.505 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.617 0.969 5.933 1.00 0.00 H new ATOM 1184 N SER A 80 -8.750 -0.426 5.119 1.00 0.00 N ATOM 1185 CA SER A 80 -9.022 -1.448 4.115 1.00 0.00 C ATOM 1186 C SER A 80 -7.725 -2.075 3.612 1.00 0.00 C ATOM 1187 O SER A 80 -7.426 -3.232 3.905 1.00 0.00 O ATOM 1188 CB SER A 80 -9.800 -0.847 2.942 1.00 0.00 C ATOM 1189 OG SER A 80 -10.245 -1.857 2.053 1.00 0.00 O ATOM 0 H SER A 80 -8.684 0.522 4.749 1.00 0.00 H new ATOM 0 HA SER A 80 -9.625 -2.228 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.656 -0.287 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.167 -0.140 2.406 1.00 0.00 H new ATOM 0 HG SER A 80 -10.740 -1.447 1.314 1.00 0.00 H new ATOM 1195 N VAL A 81 -6.957 -1.300 2.851 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.691 -1.777 2.308 1.00 0.00 C ATOM 1197 C VAL A 81 -4.874 -2.502 3.371 1.00 0.00 C ATOM 1198 O VAL A 81 -3.991 -3.298 3.055 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.854 -0.618 1.735 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.491 -1.117 1.280 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.593 0.056 0.589 1.00 0.00 C ATOM 0 H VAL A 81 -7.190 -0.340 2.597 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.934 -2.472 1.505 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.700 0.120 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.914 -0.284 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.961 -1.550 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.620 -1.875 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.987 0.873 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.779 -0.671 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.543 0.450 0.950 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.176 -2.221 4.635 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.469 -2.846 5.746 1.00 0.00 C ATOM 1213 C ASN A 82 -4.796 -4.334 5.831 1.00 0.00 C ATOM 1214 O ASN A 82 -5.714 -4.739 6.542 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.835 -2.157 7.062 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.271 -2.882 8.271 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -3.161 -3.409 8.229 1.00 0.00 O ATOM 1218 ND2 ASN A 82 -5.039 -2.909 9.354 1.00 0.00 N ATOM 0 H ASN A 82 -5.905 -1.565 4.915 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.399 -2.736 5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.462 -1.133 7.049 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.920 -2.100 7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.714 -3.381 10.198 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.954 -2.457 9.342 1.00 0.00 H new ATOM 1225 N GLY A 83 -4.036 -5.144 5.100 1.00 0.00 N ATOM 1226 CA GLY A 83 -4.260 -6.578 5.106 1.00 0.00 C ATOM 1227 C GLY A 83 -4.566 -7.123 3.725 1.00 0.00 C ATOM 1228 O GLY A 83 -4.831 -8.315 3.564 1.00 0.00 O ATOM 0 H GLY A 83 -3.269 -4.833 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.377 -7.079 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.087 -6.811 5.776 1.00 0.00 H new ATOM 1232 N THR A 84 -4.534 -6.249 2.725 1.00 0.00 N ATOM 1233 CA THR A 84 -4.813 -6.648 1.351 1.00 0.00 C ATOM 1234 C THR A 84 -3.560 -7.188 0.670 1.00 0.00 C ATOM 1235 O THR A 84 -2.442 -6.958 1.130 1.00 0.00 O ATOM 1236 CB THR A 84 -5.365 -5.470 0.525 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.434 -4.383 0.538 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.704 -5.004 1.076 1.00 0.00 C ATOM 0 H THR A 84 -4.317 -5.259 2.841 1.00 0.00 H new ATOM 0 HA THR A 84 -5.566 -7.435 1.397 1.00 0.00 H new ATOM 0 HB THR A 84 -5.510 -5.811 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.402 -3.991 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 84 -7.074 -4.172 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.419 -5.826 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.579 -4.680 2.109 1.00 0.00 H new ATOM 1246 N THR A 85 -3.755 -7.908 -0.431 1.00 0.00 N ATOM 1247 CA THR A 85 -2.641 -8.482 -1.175 1.00 0.00 C ATOM 1248 C THR A 85 -2.612 -7.963 -2.608 1.00 0.00 C ATOM 1249 O THR A 85 -3.473 -8.304 -3.418 1.00 0.00 O ATOM 1250 CB THR A 85 -2.714 -10.020 -1.199 1.00 0.00 C ATOM 1251 OG1 THR A 85 -2.924 -10.522 0.125 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.439 -10.615 -1.777 1.00 0.00 C ATOM 0 H THR A 85 -4.674 -8.107 -0.827 1.00 0.00 H new ATOM 0 HA THR A 85 -1.728 -8.178 -0.663 1.00 0.00 H new ATOM 0 HB THR A 85 -3.551 -10.311 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.971 -11.501 0.100 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.515 -11.702 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.299 -10.255 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.588 -10.314 -1.166 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.616 -7.138 -2.913 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.475 -6.573 -4.249 1.00 0.00 C ATOM 1262 C ILE A 86 -0.398 -7.305 -5.044 1.00 0.00 C ATOM 1263 O ILE A 86 0.757 -7.372 -4.627 1.00 0.00 O ATOM 1264 CB ILE A 86 -1.125 -5.074 -4.194 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.239 -4.295 -3.493 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.893 -4.532 -5.596 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -2.021 -2.797 -3.491 1.00 0.00 C ATOM 0 H ILE A 86 -0.895 -6.846 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.438 -6.695 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.205 -4.951 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.188 -4.515 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.322 -4.643 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.647 -3.472 -5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.069 -5.072 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.797 -4.664 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.850 -2.309 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.088 -2.566 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.968 -2.436 -4.518 1.00 0.00 H new ATOM 1279 N GLU A 87 -0.786 -7.852 -6.192 1.00 0.00 N ATOM 1280 CA GLU A 87 0.146 -8.578 -7.046 1.00 0.00 C ATOM 1281 C GLU A 87 0.837 -9.696 -6.269 1.00 0.00 C ATOM 1282 O GLU A 87 2.021 -9.964 -6.469 1.00 0.00 O ATOM 1283 CB GLU A 87 1.191 -7.623 -7.625 1.00 0.00 C ATOM 1284 CG GLU A 87 0.594 -6.501 -8.458 1.00 0.00 C ATOM 1285 CD GLU A 87 0.780 -6.717 -9.947 1.00 0.00 C ATOM 1286 OE1 GLU A 87 0.182 -7.670 -10.488 1.00 0.00 O ATOM 1287 OE2 GLU A 87 1.523 -5.931 -10.571 1.00 0.00 O ATOM 0 H GLU A 87 -1.739 -7.806 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.421 -9.023 -7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.768 -7.190 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.888 -8.191 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.470 -6.416 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.055 -5.556 -8.171 1.00 0.00 H new ATOM 1294 N GLY A 88 0.088 -10.343 -5.382 1.00 0.00 N ATOM 1295 CA GLY A 88 0.644 -11.423 -4.588 1.00 0.00 C ATOM 1296 C GLY A 88 1.569 -10.923 -3.496 1.00 0.00 C ATOM 1297 O GLY A 88 2.307 -11.701 -2.892 1.00 0.00 O ATOM 0 H GLY A 88 -0.894 -10.139 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.168 -11.995 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.191 -12.104 -5.240 1.00 0.00 H new ATOM 1301 N HIS A 89 1.532 -9.618 -3.242 1.00 0.00 N ATOM 1302 CA HIS A 89 2.373 -9.014 -2.216 1.00 0.00 C ATOM 1303 C HIS A 89 1.523 -8.343 -1.141 1.00 0.00 C ATOM 1304 O HIS A 89 0.765 -7.416 -1.425 1.00 0.00 O ATOM 1305 CB HIS A 89 3.325 -7.993 -2.842 1.00 0.00 C ATOM 1306 CG HIS A 89 4.286 -8.592 -3.822 1.00 0.00 C ATOM 1307 ND1 HIS A 89 5.394 -9.319 -3.441 1.00 0.00 N ATOM 1308 CD2 HIS A 89 4.299 -8.571 -5.175 1.00 0.00 C ATOM 1309 CE1 HIS A 89 6.049 -9.717 -4.516 1.00 0.00 C ATOM 1310 NE2 HIS A 89 5.405 -9.277 -5.582 1.00 0.00 N ATOM 0 H HIS A 89 0.928 -8.959 -3.733 1.00 0.00 H new ATOM 0 HA HIS A 89 2.958 -9.806 -1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.739 -7.223 -3.344 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.888 -7.499 -2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.575 -8.089 -5.815 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.957 -10.302 -4.523 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.684 -9.436 -6.550 1.00 0.00 H new ATOM 1318 N VAL A 90 1.655 -8.819 0.093 1.00 0.00 N ATOM 1319 CA VAL A 90 0.899 -8.265 1.210 1.00 0.00 C ATOM 1320 C VAL A 90 1.297 -6.818 1.479 1.00 0.00 C ATOM 1321 O VAL A 90 2.394 -6.544 1.967 1.00 0.00 O ATOM 1322 CB VAL A 90 1.109 -9.090 2.494 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.589 -9.188 2.829 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.331 -8.482 3.651 1.00 0.00 C ATOM 0 H VAL A 90 2.278 -9.587 0.344 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.154 -8.304 0.930 1.00 0.00 H new ATOM 0 HB VAL A 90 0.732 -10.098 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.718 -9.774 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.117 -9.672 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.995 -8.188 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.491 -9.078 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.675 -7.463 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.732 -8.470 3.408 1.00 0.00 H new ATOM 1334 N VAL A 91 0.398 -5.892 1.157 1.00 0.00 N ATOM 1335 CA VAL A 91 0.654 -4.472 1.366 1.00 0.00 C ATOM 1336 C VAL A 91 0.352 -4.064 2.803 1.00 0.00 C ATOM 1337 O VAL A 91 -0.532 -4.628 3.448 1.00 0.00 O ATOM 1338 CB VAL A 91 -0.186 -3.605 0.409 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.160 -3.917 -1.039 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.670 -3.812 0.668 1.00 0.00 C ATOM 0 H VAL A 91 -0.514 -6.101 0.750 1.00 0.00 H new ATOM 0 HA VAL A 91 1.712 -4.307 1.161 1.00 0.00 H new ATOM 0 HB VAL A 91 0.050 -2.557 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.444 -3.295 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.216 -3.712 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.044 -4.968 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.249 -3.192 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.924 -4.860 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.903 -3.532 1.695 1.00 0.00 H new ATOM 1350 N LYS A 92 1.091 -3.079 3.301 1.00 0.00 N ATOM 1351 CA LYS A 92 0.902 -2.592 4.662 1.00 0.00 C ATOM 1352 C LYS A 92 0.559 -1.106 4.666 1.00 0.00 C ATOM 1353 O LYS A 92 1.388 -0.267 4.309 1.00 0.00 O ATOM 1354 CB LYS A 92 2.164 -2.838 5.492 1.00 0.00 C ATOM 1355 CG LYS A 92 2.101 -4.099 6.335 1.00 0.00 C ATOM 1356 CD LYS A 92 3.490 -4.585 6.717 1.00 0.00 C ATOM 1357 CE LYS A 92 3.572 -6.104 6.707 1.00 0.00 C ATOM 1358 NZ LYS A 92 2.496 -6.722 7.530 1.00 0.00 N ATOM 0 H LYS A 92 1.828 -2.602 2.782 1.00 0.00 H new ATOM 0 HA LYS A 92 0.070 -3.139 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.022 -2.901 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.331 -1.982 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.521 -3.906 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.580 -4.881 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.224 -4.176 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.747 -4.212 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.498 -6.465 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.545 -6.418 7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.709 -7.729 7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.441 -6.239 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.585 -6.631 7.036 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.664 -0.787 5.072 1.00 0.00 N ATOM 1373 CA CYS A 93 -1.116 0.599 5.122 1.00 0.00 C ATOM 1374 C CYS A 93 -1.002 1.156 6.538 1.00 0.00 C ATOM 1375 O CYS A 93 -1.642 0.659 7.465 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.562 0.704 4.635 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.779 1.773 3.193 1.00 0.00 S ATOM 0 H CYS A 93 -1.361 -1.469 5.372 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.476 1.188 4.465 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.926 -0.294 4.392 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.182 1.080 5.449 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.072 1.315 2.203 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.184 2.190 6.697 1.00 0.00 N ATOM 1384 CA TYR A 94 0.018 2.813 7.999 1.00 0.00 C ATOM 1385 C TYR A 94 -0.076 4.332 7.897 1.00 0.00 C ATOM 1386 O TYR A 94 -0.308 4.880 6.820 1.00 0.00 O ATOM 1387 CB TYR A 94 1.377 2.412 8.575 1.00 0.00 C ATOM 1388 CG TYR A 94 1.534 0.921 8.776 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.607 0.200 9.518 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.607 0.235 8.222 1.00 0.00 C ATOM 1391 CE1 TYR A 94 0.747 -1.163 9.705 1.00 0.00 C ATOM 1392 CE2 TYR A 94 2.755 -1.127 8.402 1.00 0.00 C ATOM 1393 CZ TYR A 94 1.822 -1.821 9.145 1.00 0.00 C ATOM 1394 OH TYR A 94 1.964 -3.178 9.327 1.00 0.00 O ATOM 0 H TYR A 94 0.351 2.615 5.939 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.769 2.463 8.667 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.163 2.765 7.908 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.520 2.916 9.531 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.237 0.712 9.956 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.339 0.776 7.640 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.019 -1.709 10.286 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.595 -1.645 7.964 1.00 0.00 H new ATOM 0 HH TYR A 94 1.080 -3.589 9.423 1.00 0.00 H new ATOM 1404 N TRP A 95 0.108 5.007 9.026 1.00 0.00 N ATOM 1405 CA TRP A 95 0.045 6.464 9.066 1.00 0.00 C ATOM 1406 C TRP A 95 1.434 7.072 8.903 1.00 0.00 C ATOM 1407 O TRP A 95 2.140 7.301 9.884 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.580 6.932 10.380 1.00 0.00 C ATOM 1409 CG TRP A 95 -2.078 6.966 10.346 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.932 6.243 11.129 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -2.899 7.761 9.484 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -4.234 6.541 10.806 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.240 7.470 9.800 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.631 8.692 8.477 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.308 8.077 9.144 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.691 9.293 7.826 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.016 8.985 8.162 1.00 0.00 C ATOM 0 H TRP A 95 0.302 4.569 9.926 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.578 6.800 8.237 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.257 6.270 11.184 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.206 7.928 10.617 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.628 5.540 11.891 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.061 6.136 11.244 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.613 8.937 8.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.330 7.840 9.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.495 10.013 7.045 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.823 9.474 7.636 1.00 0.00 H new ATOM 1428 N GLY A 96 1.819 7.333 7.658 1.00 0.00 N ATOM 1429 CA GLY A 96 3.123 7.913 7.391 1.00 0.00 C ATOM 1430 C GLY A 96 3.553 8.890 8.467 1.00 0.00 C ATOM 1431 O GLY A 96 4.177 8.502 9.455 1.00 0.00 O ATOM 0 H GLY A 96 1.252 7.153 6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.862 7.116 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.100 8.424 6.428 1.00 0.00 H new ATOM 1435 N LYS A 97 3.223 10.163 8.275 1.00 0.00 N ATOM 1436 CA LYS A 97 3.580 11.199 9.236 1.00 0.00 C ATOM 1437 C LYS A 97 5.093 11.273 9.421 1.00 0.00 C ATOM 1438 O LYS A 97 5.652 10.615 10.297 1.00 0.00 O ATOM 1439 CB LYS A 97 2.903 10.931 10.582 1.00 0.00 C ATOM 1440 CG LYS A 97 3.331 11.890 11.680 1.00 0.00 C ATOM 1441 CD LYS A 97 3.911 11.149 12.873 1.00 0.00 C ATOM 1442 CE LYS A 97 2.891 11.009 13.992 1.00 0.00 C ATOM 1443 NZ LYS A 97 3.120 9.779 14.801 1.00 0.00 N ATOM 0 H LYS A 97 2.709 10.502 7.462 1.00 0.00 H new ATOM 0 HA LYS A 97 3.233 12.156 8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.822 10.996 10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.126 9.911 10.895 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.072 12.586 11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.475 12.483 12.000 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.247 10.161 12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.787 11.682 13.243 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.940 11.884 14.640 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.887 10.983 13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.404 9.720 15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.048 8.942 14.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.068 9.815 15.227 1.00 0.00 H new ATOM 1457 N GLU A 98 5.747 12.078 8.590 1.00 0.00 N ATOM 1458 CA GLU A 98 7.195 12.237 8.664 1.00 0.00 C ATOM 1459 C GLU A 98 7.636 13.530 7.983 1.00 0.00 C ATOM 1460 O GLU A 98 6.862 14.158 7.260 1.00 0.00 O ATOM 1461 CB GLU A 98 7.895 11.041 8.016 1.00 0.00 C ATOM 1462 CG GLU A 98 7.745 10.994 6.505 1.00 0.00 C ATOM 1463 CD GLU A 98 9.011 10.536 5.807 1.00 0.00 C ATOM 1464 OE1 GLU A 98 10.086 10.581 6.441 1.00 0.00 O ATOM 1465 OE2 GLU A 98 8.928 10.133 4.628 1.00 0.00 O ATOM 0 H GLU A 98 5.298 12.630 7.859 1.00 0.00 H new ATOM 0 HA GLU A 98 7.476 12.287 9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.955 11.072 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.493 10.121 8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.928 10.321 6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.471 11.984 6.140 1.00 0.00 H new ATOM 1472 N SER A 99 8.885 13.920 8.219 1.00 0.00 N ATOM 1473 CA SER A 99 9.428 15.139 7.632 1.00 0.00 C ATOM 1474 C SER A 99 10.953 15.128 7.674 1.00 0.00 C ATOM 1475 O SER A 99 11.571 14.572 8.581 1.00 0.00 O ATOM 1476 CB SER A 99 8.895 16.367 8.371 1.00 0.00 C ATOM 1477 OG SER A 99 7.674 16.813 7.805 1.00 0.00 O ATOM 0 H SER A 99 9.539 13.410 8.812 1.00 0.00 H new ATOM 0 HA SER A 99 9.110 15.185 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.745 16.125 9.423 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.633 17.168 8.330 1.00 0.00 H new ATOM 0 HG SER A 99 7.144 16.040 7.520 1.00 0.00 H new ATOM 1483 N PRO A 100 11.576 15.759 6.667 1.00 0.00 N ATOM 1484 CA PRO A 100 13.037 15.838 6.565 1.00 0.00 C ATOM 1485 C PRO A 100 13.645 16.738 7.635 1.00 0.00 C ATOM 1486 O PRO A 100 14.786 16.540 8.051 1.00 0.00 O ATOM 1487 CB PRO A 100 13.263 16.433 5.173 1.00 0.00 C ATOM 1488 CG PRO A 100 12.018 17.198 4.881 1.00 0.00 C ATOM 1489 CD PRO A 100 10.903 16.445 5.550 1.00 0.00 C ATOM 0 HA PRO A 100 13.509 14.866 6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 100 14.139 17.081 5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.431 15.652 4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.087 18.216 5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.849 17.273 3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 100 10.120 17.116 5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.431 15.737 4.869 1.00 0.00 H new ATOM 1497 N ASP A 101 12.875 17.727 8.077 1.00 0.00 N ATOM 1498 CA ASP A 101 13.338 18.657 9.101 1.00 0.00 C ATOM 1499 C ASP A 101 12.642 18.390 10.432 1.00 0.00 C ATOM 1500 O ASP A 101 11.651 19.038 10.766 1.00 0.00 O ATOM 1501 CB ASP A 101 13.086 20.100 8.660 1.00 0.00 C ATOM 1502 CG ASP A 101 13.690 21.111 9.615 1.00 0.00 C ATOM 1503 OD1 ASP A 101 13.355 21.064 10.817 1.00 0.00 O ATOM 1504 OD2 ASP A 101 14.497 21.948 9.161 1.00 0.00 O ATOM 0 H ASP A 101 11.928 17.905 7.742 1.00 0.00 H new ATOM 0 HA ASP A 101 14.409 18.508 9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.503 20.251 7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 101 12.012 20.272 8.585 1.00 0.00 H new ATOM 1509 N MET A 102 13.167 17.430 11.186 1.00 0.00 N ATOM 1510 CA MET A 102 12.597 17.078 12.481 1.00 0.00 C ATOM 1511 C MET A 102 13.462 17.609 13.619 1.00 0.00 C ATOM 1512 O MET A 102 14.516 17.049 13.926 1.00 0.00 O ATOM 1513 CB MET A 102 12.449 15.560 12.602 1.00 0.00 C ATOM 1514 CG MET A 102 11.012 15.079 12.504 1.00 0.00 C ATOM 1515 SD MET A 102 10.887 13.370 11.941 1.00 0.00 S ATOM 1516 CE MET A 102 11.191 12.487 13.469 1.00 0.00 C ATOM 0 H MET A 102 13.986 16.882 10.923 1.00 0.00 H new ATOM 0 HA MET A 102 11.612 17.538 12.553 1.00 0.00 H new ATOM 0 HB2 MET A 102 13.037 15.083 11.818 1.00 0.00 H new ATOM 0 HB3 MET A 102 12.867 15.238 13.556 1.00 0.00 H new ATOM 0 HG2 MET A 102 10.535 15.172 13.480 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.463 15.724 11.818 1.00 0.00 H new ATOM 0 HE1 MET A 102 11.147 11.414 13.284 1.00 0.00 H new ATOM 0 HE2 MET A 102 12.178 12.749 13.850 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.434 12.760 14.204 1.00 0.00 H new ATOM 1526 N THR A 103 13.012 18.693 14.244 1.00 0.00 N ATOM 1527 CA THR A 103 13.746 19.299 15.347 1.00 0.00 C ATOM 1528 C THR A 103 13.062 19.023 16.681 1.00 0.00 C ATOM 1529 O THR A 103 11.839 18.894 16.747 1.00 0.00 O ATOM 1530 CB THR A 103 13.884 20.822 15.160 1.00 0.00 C ATOM 1531 OG1 THR A 103 14.592 21.390 16.267 1.00 0.00 O ATOM 1532 CG2 THR A 103 12.518 21.479 15.035 1.00 0.00 C ATOM 0 H THR A 103 12.142 19.169 14.004 1.00 0.00 H new ATOM 0 HA THR A 103 14.739 18.849 15.351 1.00 0.00 H new ATOM 0 HB THR A 103 14.442 21.003 14.241 1.00 0.00 H new ATOM 0 HG1 THR A 103 14.677 22.358 16.139 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.642 22.554 14.904 1.00 0.00 H new ATOM 0 HG22 THR A 103 11.993 21.066 14.173 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.938 21.288 15.938 1.00 0.00 H new ATOM 1540 N SER A 104 13.857 18.935 17.742 1.00 0.00 N ATOM 1541 CA SER A 104 13.328 18.671 19.075 1.00 0.00 C ATOM 1542 C SER A 104 14.435 18.732 20.121 1.00 0.00 C ATOM 1543 O SER A 104 15.619 18.782 19.788 1.00 0.00 O ATOM 1544 CB SER A 104 12.649 17.300 19.115 1.00 0.00 C ATOM 1545 OG SER A 104 11.839 17.165 20.269 1.00 0.00 O ATOM 0 H SER A 104 14.871 19.043 17.705 1.00 0.00 H new ATOM 0 HA SER A 104 12.592 19.441 19.305 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.039 17.167 18.221 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.406 16.516 19.104 1.00 0.00 H new ATOM 0 HG SER A 104 11.415 16.281 20.270 1.00 0.00 H new ATOM 1551 N GLY A 105 14.042 18.730 21.392 1.00 0.00 N ATOM 1552 CA GLY A 105 15.012 18.787 22.469 1.00 0.00 C ATOM 1553 C GLY A 105 14.837 20.012 23.344 1.00 0.00 C ATOM 1554 O GLY A 105 14.459 21.086 22.876 1.00 0.00 O ATOM 0 H GLY A 105 13.069 18.690 21.694 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.922 17.891 23.082 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.018 18.786 22.048 1.00 0.00 H new ATOM 1558 N PRO A 106 15.116 19.859 24.647 1.00 0.00 N ATOM 1559 CA PRO A 106 14.994 20.951 25.616 1.00 0.00 C ATOM 1560 C PRO A 106 16.056 22.027 25.415 1.00 0.00 C ATOM 1561 O PRO A 106 17.146 21.750 24.916 1.00 0.00 O ATOM 1562 CB PRO A 106 15.188 20.254 26.965 1.00 0.00 C ATOM 1563 CG PRO A 106 15.996 19.042 26.650 1.00 0.00 C ATOM 1564 CD PRO A 106 15.574 18.608 25.273 1.00 0.00 C ATOM 0 HA PRO A 106 14.041 21.472 25.523 1.00 0.00 H new ATOM 0 HB2 PRO A 106 15.704 20.901 27.675 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.231 19.987 27.414 1.00 0.00 H new ATOM 0 HG2 PRO A 106 17.062 19.266 26.679 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.816 18.253 27.380 1.00 0.00 H new ATOM 0 HD2 PRO A 106 16.401 18.162 24.721 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.779 17.864 25.312 1.00 0.00 H new ATOM 1572 N SER A 107 15.731 23.255 25.807 1.00 0.00 N ATOM 1573 CA SER A 107 16.656 24.373 25.667 1.00 0.00 C ATOM 1574 C SER A 107 16.562 25.310 26.866 1.00 0.00 C ATOM 1575 O SER A 107 15.469 25.627 27.336 1.00 0.00 O ATOM 1576 CB SER A 107 16.364 25.145 24.378 1.00 0.00 C ATOM 1577 OG SER A 107 15.036 25.636 24.367 1.00 0.00 O ATOM 0 H SER A 107 14.833 23.501 26.224 1.00 0.00 H new ATOM 0 HA SER A 107 17.668 23.971 25.621 1.00 0.00 H new ATOM 0 HB2 SER A 107 17.063 25.976 24.282 1.00 0.00 H new ATOM 0 HB3 SER A 107 16.522 24.495 23.517 1.00 0.00 H new ATOM 0 HG SER A 107 14.876 26.127 23.534 1.00 0.00 H new ATOM 1583 N SER A 108 17.715 25.751 27.358 1.00 0.00 N ATOM 1584 CA SER A 108 17.765 26.650 28.505 1.00 0.00 C ATOM 1585 C SER A 108 18.930 27.626 28.380 1.00 0.00 C ATOM 1586 O SER A 108 18.781 28.822 28.627 1.00 0.00 O ATOM 1587 CB SER A 108 17.893 25.848 29.802 1.00 0.00 C ATOM 1588 OG SER A 108 16.728 25.078 30.043 1.00 0.00 O ATOM 0 H SER A 108 18.628 25.500 26.980 1.00 0.00 H new ATOM 0 HA SER A 108 16.837 27.221 28.529 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.761 25.191 29.743 1.00 0.00 H new ATOM 0 HB3 SER A 108 18.063 26.527 30.638 1.00 0.00 H new ATOM 0 HG SER A 108 16.836 24.574 30.876 1.00 0.00 H new ATOM 1594 N GLY A 109 20.092 27.106 27.996 1.00 0.00 N ATOM 1595 CA GLY A 109 21.267 27.945 27.845 1.00 0.00 C ATOM 1596 C GLY A 109 21.982 28.181 29.160 1.00 0.00 C ATOM 1597 O GLY A 109 22.681 29.181 29.324 1.00 0.00 O ATOM 0 H GLY A 109 20.241 26.119 27.787 1.00 0.00 H new ATOM 0 HA2 GLY A 109 21.955 27.479 27.139 1.00 0.00 H new ATOM 0 HA3 GLY A 109 20.973 28.904 27.417 1.00 0.00 H new TER 1601 GLY A 109