USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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 115 TYR OH : rot -2:sc= 0.775 USER MOD Set 1.2: A 116 ASN : amide:sc= -11! C(o=-10!,f=-16!) USER MOD Set 2.1: A 71 CYS SG : rot -171:sc= 0.917 USER MOD Set 2.2: A 101 THR OG1 : rot -106:sc= 0.575 USER MOD Set 2.3: A 102 CYS SG : rot 180:sc= -3.57! USER MOD Set 3.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 CYS SG : rot -109:sc= 0.694! USER MOD Set 3.3: A 68 CYS SG : rot 180:sc= 0.578 USER MOD Set 3.4: A 70 ASN : amide:sc= -0.0666 K(o=1.2,f=-0.68!) USER MOD Set 4.1: A 5 TYR OH : rot 65:sc= 1.17! USER MOD Set 4.2: A 57 TYR OH : rot -56:sc= 1.13 USER MOD Set 5.1: A 7 ASN : amide:sc= -1.5 K(o=-1.5,f=-6.6!) USER MOD Set 5.2: A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -121:sc= -0.567 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.28) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0.262 (180deg=0.249) USER MOD Single : A 37 TYR OH : rot 30:sc= 1.13 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -112:sc= -7.05! (180deg=-12.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.265 K(o=-0.27,f=-1.5!) USER MOD Single : A 73 SER OG : rot -110:sc= -0.783 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -173:sc= -2.03 (180deg=-2.22) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -55:sc= 0.539 USER MOD Single : A 112 LYS NZ :NH3+ -129:sc= 0.432 (180deg=-1.66!) USER MOD Single : A 119 HIS : no HE2:sc= -29.9! C(o=-30!,f=-34!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -20.389 -15.315 13.268 1.00 3.92 N ATOM 2 CA PRO A 1 -18.949 -15.676 13.130 1.00 3.44 C ATOM 3 C PRO A 1 -18.069 -14.431 13.280 1.00 3.50 C ATOM 4 O PRO A 1 -17.470 -13.964 12.331 1.00 4.94 O ATOM 5 CB PRO A 1 -18.848 -16.246 11.721 1.00 2.00 C ATOM 6 CG PRO A 1 -19.988 -15.632 10.978 1.00 4.99 C ATOM 7 CD PRO A 1 -21.088 -15.402 11.982 1.00 3.38 C ATOM 0 H2 PRO A 1 -20.470 -14.368 13.638 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.834 -15.938 13.942 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.612 -16.381 13.890 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.893 -15.993 11.260 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.921 -17.334 11.728 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -19.686 -14.693 10.513 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -20.327 -16.289 10.177 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -21.640 -14.487 11.766 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.810 -16.218 11.976 1.00 3.38 H new ATOM 17 N THR A 2 -17.986 -13.892 14.467 1.00 3.08 N ATOM 18 CA THR A 2 -17.144 -12.679 14.678 1.00 2.08 C ATOM 19 C THR A 2 -15.898 -13.036 15.491 1.00 2.52 C ATOM 20 O THR A 2 -15.950 -13.828 16.412 1.00 2.28 O ATOM 21 CB THR A 2 -18.035 -11.710 15.457 1.00 3.47 C ATOM 22 OG1 THR A 2 -19.118 -11.299 14.635 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.218 -10.488 15.879 1.00 3.09 C ATOM 0 H THR A 2 -18.464 -14.239 15.299 1.00 3.08 H new ATOM 0 HA THR A 2 -16.797 -12.248 13.739 1.00 2.08 H new ATOM 0 HB THR A 2 -18.423 -12.208 16.346 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.103 -10.324 14.537 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.854 -9.799 16.434 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.389 -10.805 16.511 1.00 3.09 H new ATOM 0 HG23 THR A 2 -16.827 -9.988 14.993 1.00 3.09 H new ATOM 31 N VAL A 3 -14.777 -12.458 15.158 1.00 10.00 N ATOM 32 CA VAL A 3 -13.527 -12.765 15.912 1.00 10.00 C ATOM 33 C VAL A 3 -12.821 -11.465 16.307 1.00 10.00 C ATOM 34 O VAL A 3 -13.218 -10.388 15.913 1.00 10.00 O ATOM 35 CB VAL A 3 -12.661 -13.572 14.942 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.565 -14.301 15.724 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.527 -14.597 14.207 1.00 10.00 C ATOM 0 H VAL A 3 -14.672 -11.787 14.397 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.724 -13.316 16.832 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.207 -12.897 14.217 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.947 -14.876 15.034 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.944 -13.572 16.246 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -12.022 -14.974 16.450 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.907 -15.170 13.517 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.984 -15.272 14.930 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.308 -14.080 13.649 1.00 10.00 H new ATOM 47 N GLU A 4 -11.775 -11.557 17.082 1.00 10.00 N ATOM 48 CA GLU A 4 -11.044 -10.325 17.497 1.00 10.00 C ATOM 49 C GLU A 4 -9.553 -10.627 17.658 1.00 10.00 C ATOM 50 O GLU A 4 -9.149 -11.350 18.548 1.00 10.00 O ATOM 51 CB GLU A 4 -11.661 -9.929 18.840 1.00 50.00 C ATOM 52 CG GLU A 4 -11.773 -8.404 18.916 1.00 50.00 C ATOM 53 CD GLU A 4 -12.671 -8.014 20.092 1.00 50.00 C ATOM 54 OE1 GLU A 4 -13.517 -8.814 20.457 1.00 50.00 O ATOM 55 OE2 GLU A 4 -12.497 -6.922 20.608 1.00 50.00 O ATOM 0 H GLU A 4 -11.395 -12.431 17.446 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.129 -9.526 16.761 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.646 -10.383 18.949 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.046 -10.301 19.659 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.784 -7.962 19.038 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -12.184 -8.013 17.986 1.00 50.00 H new ATOM 62 N TYR A 5 -8.732 -10.084 16.802 1.00 10.00 N ATOM 63 CA TYR A 5 -7.267 -10.346 16.906 1.00 10.00 C ATOM 64 C TYR A 5 -6.577 -9.226 17.690 1.00 10.00 C ATOM 65 O TYR A 5 -6.936 -8.068 17.587 1.00 10.00 O ATOM 66 CB TYR A 5 -6.764 -10.378 15.464 1.00 10.00 C ATOM 67 CG TYR A 5 -7.106 -9.076 14.779 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.371 -7.920 15.067 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.156 -9.027 13.854 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.685 -6.715 14.430 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.469 -7.822 13.216 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.735 -6.666 13.504 1.00 50.00 C ATOM 73 OH TYR A 5 -8.044 -5.478 12.872 1.00 50.00 O ATOM 0 H TYR A 5 -9.011 -9.471 16.036 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.055 -11.276 17.433 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.686 -10.537 15.448 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.217 -11.212 14.929 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.562 -7.959 15.781 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -8.724 -9.919 13.633 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -6.118 -5.823 14.652 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.277 -7.784 12.501 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.294 -5.206 12.303 1.00 50.00 H new ATOM 83 N LEU A 6 -5.591 -9.565 18.477 1.00 10.00 N ATOM 84 CA LEU A 6 -4.875 -8.526 19.274 1.00 10.00 C ATOM 85 C LEU A 6 -3.360 -8.757 19.220 1.00 10.00 C ATOM 86 O LEU A 6 -2.888 -9.871 19.317 1.00 10.00 O ATOM 87 CB LEU A 6 -5.388 -8.706 20.702 1.00 12.50 C ATOM 88 CG LEU A 6 -5.441 -7.348 21.404 1.00 12.50 C ATOM 89 CD1 LEU A 6 -5.744 -7.554 22.889 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.092 -6.643 21.256 1.00 50.00 C ATOM 0 H LEU A 6 -5.250 -10.518 18.603 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.055 -7.521 18.893 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.380 -9.158 20.688 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.735 -9.385 21.251 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.223 -6.737 20.952 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -5.782 -6.587 23.390 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.705 -8.057 22.998 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.961 -8.165 23.339 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.130 -5.675 21.756 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.311 -7.254 21.707 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -3.872 -6.496 20.199 1.00 50.00 H new ATOM 102 N ASN A 7 -2.593 -7.711 19.073 1.00 10.00 N ATOM 103 CA ASN A 7 -1.113 -7.875 19.024 1.00 10.00 C ATOM 104 C ASN A 7 -0.593 -8.286 20.400 1.00 10.00 C ATOM 105 O ASN A 7 -0.700 -7.547 21.358 1.00 10.00 O ATOM 106 CB ASN A 7 -0.579 -6.497 18.642 1.00 10.00 C ATOM 107 CG ASN A 7 0.948 -6.541 18.579 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.548 -7.578 18.775 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.606 -5.447 18.312 1.00 12.50 N ATOM 0 H ASN A 7 -2.927 -6.751 18.985 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.800 -8.644 18.318 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -0.985 -6.193 17.677 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.902 -5.755 19.372 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.625 -5.463 18.268 1.00 12.50 H new ATOM 0 HD22 ASN A 7 1.102 -4.576 18.147 1.00 12.50 H new ATOM 116 N TYR A 8 -0.032 -9.459 20.516 1.00 50.00 N ATOM 117 CA TYR A 8 0.482 -9.892 21.848 1.00 50.00 C ATOM 118 C TYR A 8 1.602 -8.956 22.314 1.00 50.00 C ATOM 119 O TYR A 8 1.706 -8.633 23.480 1.00 50.00 O ATOM 120 CB TYR A 8 1.019 -11.305 21.639 1.00 50.00 C ATOM 121 CG TYR A 8 1.861 -11.701 22.829 1.00 50.00 C ATOM 122 CD1 TYR A 8 3.185 -11.256 22.926 1.00 50.00 C ATOM 123 CD2 TYR A 8 1.325 -12.520 23.830 1.00 50.00 C ATOM 124 CE1 TYR A 8 3.972 -11.627 24.018 1.00 50.00 C ATOM 125 CE2 TYR A 8 2.112 -12.891 24.926 1.00 50.00 C ATOM 126 CZ TYR A 8 3.437 -12.445 25.020 1.00 50.00 C ATOM 127 OH TYR A 8 4.214 -12.811 26.100 1.00 50.00 O ATOM 0 H TYR A 8 0.092 -10.129 19.757 1.00 50.00 H new ATOM 0 HA TYR A 8 -0.295 -9.866 22.612 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.193 -12.005 21.514 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.614 -11.349 20.727 1.00 50.00 H new ATOM 0 HD1 TYR A 8 3.599 -10.624 22.154 1.00 50.00 H new ATOM 0 HD2 TYR A 8 0.304 -12.865 23.756 1.00 50.00 H new ATOM 0 HE1 TYR A 8 4.993 -11.283 24.090 1.00 50.00 H new ATOM 0 HE2 TYR A 8 1.698 -13.521 25.699 1.00 50.00 H new ATOM 0 HH TYR A 8 3.690 -13.379 26.703 1.00 50.00 H new ATOM 137 N GLU A 9 2.440 -8.521 21.413 1.00 25.00 N ATOM 138 CA GLU A 9 3.550 -7.608 21.810 1.00 25.00 C ATOM 139 C GLU A 9 2.984 -6.354 22.478 1.00 25.00 C ATOM 140 O GLU A 9 3.608 -5.759 23.334 1.00 25.00 O ATOM 141 CB GLU A 9 4.259 -7.250 20.505 1.00 50.00 C ATOM 142 CG GLU A 9 5.772 -7.258 20.728 1.00 50.00 C ATOM 143 CD GLU A 9 6.405 -6.088 19.971 1.00 50.00 C ATOM 144 OE1 GLU A 9 6.066 -5.904 18.814 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.220 -5.398 20.562 1.00 50.00 O ATOM 0 H GLU A 9 2.405 -8.757 20.421 1.00 25.00 H new ATOM 0 HA GLU A 9 4.230 -8.070 22.525 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.992 -7.964 19.726 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.937 -6.267 20.161 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.994 -7.179 21.792 1.00 50.00 H new ATOM 0 HG3 GLU A 9 6.196 -8.201 20.383 1.00 50.00 H new ATOM 152 N THR A 10 1.806 -5.948 22.095 1.00 50.00 N ATOM 153 CA THR A 10 1.201 -4.733 22.712 1.00 50.00 C ATOM 154 C THR A 10 0.866 -5.004 24.183 1.00 50.00 C ATOM 155 O THR A 10 0.931 -4.124 25.018 1.00 50.00 O ATOM 156 CB THR A 10 -0.075 -4.471 21.905 1.00 50.00 C ATOM 157 OG1 THR A 10 0.268 -3.856 20.671 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.007 -3.550 22.695 1.00 50.00 C ATOM 0 H THR A 10 1.236 -6.404 21.382 1.00 50.00 H new ATOM 0 HA THR A 10 1.875 -3.876 22.692 1.00 50.00 H new ATOM 0 HB THR A 10 -0.584 -5.416 21.714 1.00 50.00 H new ATOM 0 HG1 THR A 10 -0.546 -3.689 20.152 1.00 50.00 H new ATOM 0 HG21 THR A 10 -1.913 -3.367 22.117 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.270 -4.023 23.641 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.503 -2.603 22.890 1.00 50.00 H new ATOM 166 N LEU A 11 0.509 -6.217 24.503 1.00 50.00 N ATOM 167 CA LEU A 11 0.169 -6.551 25.916 1.00 50.00 C ATOM 168 C LEU A 11 1.424 -6.491 26.794 1.00 50.00 C ATOM 169 O LEU A 11 1.408 -5.937 27.874 1.00 50.00 O ATOM 170 CB LEU A 11 -0.384 -7.976 25.859 1.00 50.00 C ATOM 171 CG LEU A 11 -0.363 -8.595 27.259 1.00 50.00 C ATOM 172 CD1 LEU A 11 -1.163 -7.715 28.219 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.987 -9.992 27.206 1.00 50.00 C ATOM 0 H LEU A 11 0.438 -6.994 23.846 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.548 -5.852 26.347 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.403 -7.966 25.471 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.212 -8.580 25.175 1.00 50.00 H new ATOM 0 HG LEU A 11 0.667 -8.669 27.609 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -1.148 -8.156 29.216 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.719 -6.720 28.256 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -2.193 -7.640 27.871 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -0.973 -10.435 28.202 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -2.017 -9.918 26.856 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.416 -10.620 26.522 1.00 50.00 H new ATOM 185 N ASP A 12 2.508 -7.057 26.339 1.00 50.00 N ATOM 186 CA ASP A 12 3.757 -7.033 27.153 1.00 50.00 C ATOM 187 C ASP A 12 4.414 -5.652 27.075 1.00 50.00 C ATOM 188 O ASP A 12 4.808 -5.084 28.074 1.00 50.00 O ATOM 189 CB ASP A 12 4.661 -8.094 26.526 1.00 50.00 C ATOM 190 CG ASP A 12 4.095 -9.485 26.824 1.00 50.00 C ATOM 191 OD1 ASP A 12 4.359 -9.991 27.903 1.00 50.00 O ATOM 192 OD2 ASP A 12 3.408 -10.020 25.969 1.00 50.00 O ATOM 0 H ASP A 12 2.583 -7.534 25.441 1.00 50.00 H new ATOM 0 HA ASP A 12 3.566 -7.234 28.207 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.728 -7.940 25.449 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.672 -8.008 26.924 1.00 50.00 H new ATOM 197 N ASP A 13 4.535 -5.107 25.895 1.00 50.00 N ATOM 198 CA ASP A 13 5.167 -3.764 25.757 1.00 50.00 C ATOM 199 C ASP A 13 4.528 -2.775 26.735 1.00 50.00 C ATOM 200 O ASP A 13 5.185 -2.233 27.602 1.00 50.00 O ATOM 201 CB ASP A 13 4.894 -3.344 24.312 1.00 50.00 C ATOM 202 CG ASP A 13 5.797 -2.164 23.946 1.00 50.00 C ATOM 203 OD1 ASP A 13 6.723 -1.897 24.694 1.00 50.00 O ATOM 204 OD2 ASP A 13 5.547 -1.547 22.923 1.00 50.00 O ATOM 0 H ASP A 13 4.224 -5.533 25.022 1.00 50.00 H new ATOM 0 HA ASP A 13 6.234 -3.785 25.980 1.00 50.00 H new ATOM 0 HB2 ASP A 13 5.079 -4.180 23.638 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.847 -3.065 24.194 1.00 50.00 H new ATOM 209 N GLN A 14 3.251 -2.536 26.606 1.00 50.00 N ATOM 210 CA GLN A 14 2.577 -1.581 27.533 1.00 50.00 C ATOM 211 C GLN A 14 2.669 -2.093 28.974 1.00 50.00 C ATOM 212 O GLN A 14 2.761 -1.325 29.911 1.00 50.00 O ATOM 213 CB GLN A 14 1.121 -1.535 27.070 1.00 50.00 C ATOM 214 CG GLN A 14 0.669 -0.078 26.956 1.00 50.00 C ATOM 215 CD GLN A 14 0.657 0.339 25.485 1.00 50.00 C ATOM 216 OE1 GLN A 14 1.529 -0.038 24.727 1.00 50.00 O ATOM 217 NE2 GLN A 14 -0.301 1.107 25.045 1.00 50.00 N ATOM 0 H GLN A 14 2.647 -2.959 25.901 1.00 50.00 H new ATOM 0 HA GLN A 14 3.038 -0.593 27.516 1.00 50.00 H new ATOM 0 HB2 GLN A 14 1.018 -2.035 26.107 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.486 -2.070 27.777 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -0.325 0.040 27.387 1.00 50.00 H new ATOM 0 HG3 GLN A 14 1.340 0.567 27.522 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -1.033 1.424 25.680 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -0.318 1.391 24.065 1.00 50.00 H new ATOM 226 N GLY A 15 2.645 -3.385 29.156 1.00 50.00 N ATOM 227 CA GLY A 15 2.733 -3.945 30.535 1.00 50.00 C ATOM 228 C GLY A 15 1.323 -4.133 31.101 1.00 50.00 C ATOM 229 O GLY A 15 1.100 -4.008 32.288 1.00 50.00 O ATOM 0 H GLY A 15 2.568 -4.077 28.410 1.00 50.00 H new ATOM 0 HA2 GLY A 15 3.260 -4.899 30.519 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.307 -3.275 31.175 1.00 50.00 H new ATOM 233 N TRP A 16 0.371 -4.433 30.261 1.00 50.00 N ATOM 234 CA TRP A 16 -1.022 -4.628 30.754 1.00 50.00 C ATOM 235 C TRP A 16 -1.303 -6.118 30.972 1.00 50.00 C ATOM 236 O TRP A 16 -0.426 -6.949 30.841 1.00 50.00 O ATOM 237 CB TRP A 16 -1.917 -4.069 29.647 1.00 50.00 C ATOM 238 CG TRP A 16 -2.417 -2.719 30.047 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.765 -2.362 31.305 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.632 -1.543 29.213 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.178 -1.041 31.296 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.113 -0.493 30.030 1.00 50.00 C ATOM 243 CE3 TRP A 16 -2.455 -1.289 27.842 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.410 0.765 29.505 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -2.753 -0.024 27.309 1.00 50.00 C ATOM 246 CH2 TRP A 16 -3.229 1.001 28.139 1.00 50.00 C ATOM 0 H TRP A 16 0.497 -4.551 29.256 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.196 -4.130 31.708 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.359 -4.000 28.713 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.756 -4.741 29.468 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.727 -3.003 32.174 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -3.492 -0.534 32.123 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -2.088 -2.071 27.194 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.777 1.551 30.149 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -2.615 0.160 26.254 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -3.456 1.972 27.723 1.00 50.00 H new ATOM 257 N ASP A 17 -2.517 -6.461 31.307 1.00 50.00 N ATOM 258 CA ASP A 17 -2.849 -7.897 31.533 1.00 50.00 C ATOM 259 C ASP A 17 -3.732 -8.419 30.397 1.00 50.00 C ATOM 260 O ASP A 17 -4.479 -7.680 29.788 1.00 50.00 O ATOM 261 CB ASP A 17 -3.610 -7.926 32.860 1.00 50.00 C ATOM 262 CG ASP A 17 -3.511 -9.325 33.473 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.410 -9.726 33.810 1.00 50.00 O ATOM 264 OD2 ASP A 17 -4.540 -9.969 33.596 1.00 50.00 O ATOM 0 H ASP A 17 -3.292 -5.810 31.434 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.960 -8.527 31.561 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -3.196 -7.187 33.545 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -4.655 -7.661 32.698 1.00 50.00 H new ATOM 269 N MET A 18 -3.649 -9.688 30.105 1.00 50.00 N ATOM 270 CA MET A 18 -4.482 -10.257 29.007 1.00 50.00 C ATOM 271 C MET A 18 -5.951 -10.321 29.431 1.00 50.00 C ATOM 272 O MET A 18 -6.828 -10.565 28.626 1.00 50.00 O ATOM 273 CB MET A 18 -3.928 -11.664 28.780 1.00 50.00 C ATOM 274 CG MET A 18 -4.354 -12.166 27.399 1.00 50.00 C ATOM 275 SD MET A 18 -5.840 -13.186 27.557 1.00 50.00 S ATOM 276 CE MET A 18 -5.002 -14.775 27.783 1.00 50.00 C ATOM 0 H MET A 18 -3.041 -10.356 30.579 1.00 50.00 H new ATOM 0 HA MET A 18 -4.441 -9.650 28.102 1.00 50.00 H new ATOM 0 HB2 MET A 18 -2.841 -11.654 28.855 1.00 50.00 H new ATOM 0 HB3 MET A 18 -4.295 -12.339 29.553 1.00 50.00 H new ATOM 0 HG2 MET A 18 -4.549 -11.322 26.738 1.00 50.00 H new ATOM 0 HG3 MET A 18 -3.549 -12.746 26.947 1.00 50.00 H new ATOM 0 HE1 MET A 18 -5.744 -15.564 27.903 1.00 50.00 H new ATOM 0 HE2 MET A 18 -4.384 -14.988 26.911 1.00 50.00 H new ATOM 0 HE3 MET A 18 -4.373 -14.731 28.672 1.00 50.00 H new ATOM 286 N ASP A 19 -6.228 -10.108 30.688 1.00 50.00 N ATOM 287 CA ASP A 19 -7.643 -10.162 31.158 1.00 50.00 C ATOM 288 C ASP A 19 -7.943 -9.001 32.114 1.00 50.00 C ATOM 289 O ASP A 19 -9.060 -8.528 32.196 1.00 50.00 O ATOM 290 CB ASP A 19 -7.767 -11.502 31.885 1.00 50.00 C ATOM 291 CG ASP A 19 -9.139 -11.597 32.554 1.00 50.00 C ATOM 292 OD1 ASP A 19 -9.944 -10.705 32.341 1.00 50.00 O ATOM 293 OD2 ASP A 19 -9.363 -12.560 33.268 1.00 50.00 O ATOM 0 H ASP A 19 -5.538 -9.899 31.409 1.00 50.00 H new ATOM 0 HA ASP A 19 -8.350 -10.075 30.333 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -7.637 -12.323 31.180 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -6.979 -11.596 32.632 1.00 50.00 H new ATOM 298 N ASP A 20 -6.961 -8.541 32.841 1.00 50.00 N ATOM 299 CA ASP A 20 -7.201 -7.416 33.792 1.00 50.00 C ATOM 300 C ASP A 20 -7.423 -6.105 33.030 1.00 50.00 C ATOM 301 O ASP A 20 -8.406 -5.420 33.229 1.00 50.00 O ATOM 302 CB ASP A 20 -5.930 -7.335 34.637 1.00 50.00 C ATOM 303 CG ASP A 20 -6.305 -7.154 36.110 1.00 50.00 C ATOM 304 OD1 ASP A 20 -7.001 -6.198 36.410 1.00 50.00 O ATOM 305 OD2 ASP A 20 -5.891 -7.975 36.911 1.00 50.00 O ATOM 0 H ASP A 20 -6.004 -8.894 32.818 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.090 -7.578 34.402 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.338 -8.242 34.510 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.312 -6.502 34.303 1.00 50.00 H new ATOM 310 N ASP A 21 -6.514 -5.747 32.165 1.00 50.00 N ATOM 311 CA ASP A 21 -6.671 -4.476 31.398 1.00 50.00 C ATOM 312 C ASP A 21 -7.655 -4.662 30.242 1.00 50.00 C ATOM 313 O ASP A 21 -8.022 -3.719 29.569 1.00 50.00 O ATOM 314 CB ASP A 21 -5.274 -4.163 30.864 1.00 50.00 C ATOM 315 CG ASP A 21 -5.364 -3.023 29.847 1.00 50.00 C ATOM 316 OD1 ASP A 21 -5.634 -1.908 30.261 1.00 50.00 O ATOM 317 OD2 ASP A 21 -5.161 -3.285 28.673 1.00 50.00 O ATOM 0 H ASP A 21 -5.669 -6.279 31.955 1.00 50.00 H new ATOM 0 HA ASP A 21 -7.065 -3.671 32.018 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -4.613 -3.882 31.684 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -4.844 -5.049 30.397 1.00 50.00 H new ATOM 322 N ASP A 22 -8.086 -5.869 30.001 1.00 50.00 N ATOM 323 CA ASP A 22 -9.045 -6.107 28.884 1.00 50.00 C ATOM 324 C ASP A 22 -8.541 -5.432 27.607 1.00 50.00 C ATOM 325 O ASP A 22 -9.252 -4.687 26.961 1.00 50.00 O ATOM 326 CB ASP A 22 -10.356 -5.471 29.347 1.00 50.00 C ATOM 327 CG ASP A 22 -10.749 -6.047 30.709 1.00 50.00 C ATOM 328 OD1 ASP A 22 -10.953 -7.247 30.786 1.00 50.00 O ATOM 329 OD2 ASP A 22 -10.837 -5.278 31.652 1.00 50.00 O ATOM 0 H ASP A 22 -7.817 -6.700 30.528 1.00 50.00 H new ATOM 0 HA ASP A 22 -9.165 -7.167 28.658 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.243 -4.389 29.417 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.143 -5.663 28.618 1.00 50.00 H new ATOM 334 N LEU A 23 -7.318 -5.688 27.240 1.00 50.00 N ATOM 335 CA LEU A 23 -6.758 -5.065 26.005 1.00 50.00 C ATOM 336 C LEU A 23 -7.784 -5.117 24.870 1.00 50.00 C ATOM 337 O LEU A 23 -7.967 -4.162 24.141 1.00 50.00 O ATOM 338 CB LEU A 23 -5.532 -5.910 25.660 1.00 50.00 C ATOM 339 CG LEU A 23 -4.324 -5.404 26.451 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.147 -6.360 26.249 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.937 -4.009 25.957 1.00 50.00 C ATOM 0 H LEU A 23 -6.678 -6.304 27.742 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.504 -4.015 26.151 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -5.721 -6.957 25.895 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.329 -5.855 24.591 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.578 -5.356 27.510 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -2.286 -6.001 26.812 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -3.421 -7.354 26.601 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -2.894 -6.407 25.190 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -3.076 -3.649 26.521 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.683 -4.055 24.898 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.775 -3.327 26.100 1.00 50.00 H new ATOM 353 N PHE A 24 -8.458 -6.225 24.716 1.00 50.00 N ATOM 354 CA PHE A 24 -9.474 -6.335 23.630 1.00 50.00 C ATOM 355 C PHE A 24 -10.510 -5.218 23.767 1.00 50.00 C ATOM 356 O PHE A 24 -11.248 -4.925 22.847 1.00 50.00 O ATOM 357 CB PHE A 24 -10.134 -7.699 23.840 1.00 50.00 C ATOM 358 CG PHE A 24 -9.246 -8.784 23.277 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.223 -9.026 21.899 1.00 50.00 C ATOM 360 CD2 PHE A 24 -8.448 -9.549 24.137 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.402 -10.034 21.379 1.00 50.00 C ATOM 362 CE2 PHE A 24 -7.626 -10.556 23.616 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.603 -10.799 22.238 1.00 50.00 C ATOM 0 H PHE A 24 -8.349 -7.058 25.295 1.00 50.00 H new ATOM 0 HA PHE A 24 -9.030 -6.244 22.639 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.306 -7.871 24.902 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.108 -7.722 23.351 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.838 -8.435 21.237 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -8.467 -9.363 25.201 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.385 -10.222 20.316 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -7.009 -11.146 24.278 1.00 50.00 H new ATOM 0 HZ PHE A 24 -6.969 -11.576 21.837 1.00 50.00 H new ATOM 373 N GLU A 25 -10.574 -4.596 24.912 1.00 50.00 N ATOM 374 CA GLU A 25 -11.566 -3.500 25.111 1.00 50.00 C ATOM 375 C GLU A 25 -10.862 -2.140 25.139 1.00 50.00 C ATOM 376 O GLU A 25 -11.282 -1.200 24.492 1.00 50.00 O ATOM 377 CB GLU A 25 -12.212 -3.797 26.465 1.00 50.00 C ATOM 378 CG GLU A 25 -13.317 -4.839 26.285 1.00 50.00 C ATOM 379 CD GLU A 25 -14.378 -4.654 27.373 1.00 50.00 C ATOM 380 OE1 GLU A 25 -14.123 -3.901 28.298 1.00 50.00 O ATOM 381 OE2 GLU A 25 -15.426 -5.267 27.261 1.00 50.00 O ATOM 0 H GLU A 25 -9.983 -4.799 25.718 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.300 -3.457 24.306 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -11.462 -4.164 27.165 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -12.625 -2.883 26.891 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.771 -4.737 25.299 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -12.897 -5.843 26.340 1.00 50.00 H new ATOM 388 N LYS A 26 -9.800 -2.025 25.887 1.00 50.00 N ATOM 389 CA LYS A 26 -9.075 -0.723 25.959 1.00 50.00 C ATOM 390 C LYS A 26 -8.326 -0.453 24.649 1.00 50.00 C ATOM 391 O LYS A 26 -7.968 0.668 24.350 1.00 50.00 O ATOM 392 CB LYS A 26 -8.092 -0.879 27.120 1.00 50.00 C ATOM 393 CG LYS A 26 -6.935 -1.785 26.695 1.00 50.00 C ATOM 394 CD LYS A 26 -5.640 -0.970 26.657 1.00 50.00 C ATOM 395 CE LYS A 26 -4.981 -1.125 25.284 1.00 50.00 C ATOM 396 NZ LYS A 26 -4.951 0.254 24.719 1.00 50.00 N ATOM 0 H LYS A 26 -9.402 -2.775 26.452 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.754 0.117 26.110 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -7.711 0.097 27.421 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -8.600 -1.303 27.986 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -6.834 -2.616 27.393 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -7.136 -2.215 25.714 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -5.853 0.081 26.854 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -4.961 -1.309 27.439 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -3.976 -1.539 25.372 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -5.550 -1.802 24.646 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -4.409 0.254 23.832 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -5.923 0.573 24.531 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -4.501 0.898 25.400 1.00 50.00 H new ATOM 410 N ALA A 27 -8.084 -1.470 23.869 1.00 50.00 N ATOM 411 CA ALA A 27 -7.356 -1.263 22.583 1.00 50.00 C ATOM 412 C ALA A 27 -8.235 -0.489 21.596 1.00 50.00 C ATOM 413 O ALA A 27 -7.785 -0.071 20.547 1.00 50.00 O ATOM 414 CB ALA A 27 -7.068 -2.670 22.059 1.00 50.00 C ATOM 0 H ALA A 27 -8.357 -2.433 24.064 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.442 -0.684 22.714 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.532 -2.603 21.112 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.458 -3.210 22.783 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -8.008 -3.201 21.908 1.00 50.00 H new ATOM 420 N ALA A 28 -9.483 -0.292 21.922 1.00 50.00 N ATOM 421 CA ALA A 28 -10.386 0.457 21.002 1.00 50.00 C ATOM 422 C ALA A 28 -10.425 1.937 21.391 1.00 50.00 C ATOM 423 O ALA A 28 -10.986 2.758 20.693 1.00 50.00 O ATOM 424 CB ALA A 28 -11.762 -0.184 21.189 1.00 50.00 C ATOM 0 H ALA A 28 -9.917 -0.617 22.786 1.00 50.00 H new ATOM 0 HA ALA A 28 -10.053 0.410 19.965 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.486 0.313 20.543 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.709 -1.241 20.928 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -12.073 -0.082 22.229 1.00 50.00 H new ATOM 430 N ASP A 29 -9.832 2.282 22.501 1.00 50.00 N ATOM 431 CA ASP A 29 -9.833 3.709 22.936 1.00 50.00 C ATOM 432 C ASP A 29 -8.430 4.305 22.796 1.00 50.00 C ATOM 433 O ASP A 29 -8.235 5.497 22.936 1.00 50.00 O ATOM 434 CB ASP A 29 -10.255 3.674 24.405 1.00 50.00 C ATOM 435 CG ASP A 29 -11.309 4.753 24.659 1.00 50.00 C ATOM 436 OD1 ASP A 29 -11.027 5.907 24.378 1.00 50.00 O ATOM 437 OD2 ASP A 29 -12.379 4.408 25.131 1.00 50.00 O ATOM 0 H ASP A 29 -9.347 1.638 23.126 1.00 50.00 H new ATOM 0 HA ASP A 29 -10.501 4.324 22.334 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -10.657 2.692 24.656 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -9.390 3.838 25.047 1.00 50.00 H new ATOM 442 N ALA A 30 -7.451 3.487 22.524 1.00 50.00 N ATOM 443 CA ALA A 30 -6.060 4.008 22.380 1.00 50.00 C ATOM 444 C ALA A 30 -5.726 4.230 20.901 1.00 50.00 C ATOM 445 O ALA A 30 -4.865 5.016 20.561 1.00 50.00 O ATOM 446 CB ALA A 30 -5.166 2.920 22.975 1.00 50.00 C ATOM 0 H ALA A 30 -7.553 2.480 22.395 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.925 4.966 22.882 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -4.123 3.229 22.907 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.430 2.763 24.021 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.307 1.991 22.422 1.00 50.00 H new ATOM 452 N GLY A 31 -6.399 3.541 20.021 1.00 50.00 N ATOM 453 CA GLY A 31 -6.118 3.712 18.567 1.00 50.00 C ATOM 454 C GLY A 31 -5.056 2.701 18.131 1.00 50.00 C ATOM 455 O GLY A 31 -4.170 3.010 17.358 1.00 50.00 O ATOM 0 H GLY A 31 -7.131 2.867 20.245 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.031 3.568 17.990 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -5.773 4.727 18.369 1.00 50.00 H new ATOM 459 N LEU A 32 -5.137 1.493 18.619 1.00 50.00 N ATOM 460 CA LEU A 32 -4.131 0.463 18.231 1.00 50.00 C ATOM 461 C LEU A 32 -4.234 0.163 16.734 1.00 50.00 C ATOM 462 O LEU A 32 -5.313 0.056 16.185 1.00 50.00 O ATOM 463 CB LEU A 32 -4.495 -0.775 19.050 1.00 50.00 C ATOM 464 CG LEU A 32 -3.630 -0.826 20.311 1.00 50.00 C ATOM 465 CD1 LEU A 32 -2.159 -0.968 19.914 1.00 50.00 C ATOM 466 CD2 LEU A 32 -3.818 0.464 21.112 1.00 50.00 C ATOM 0 H LEU A 32 -5.856 1.175 19.269 1.00 50.00 H new ATOM 0 HA LEU A 32 -3.109 0.792 18.421 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -5.550 -0.747 19.321 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -4.342 -1.675 18.455 1.00 50.00 H new ATOM 0 HG LEU A 32 -3.927 -1.679 20.921 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -1.542 -1.004 20.812 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -2.023 -1.886 19.343 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -1.863 -0.114 19.304 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -3.202 0.428 22.010 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -3.521 1.317 20.502 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -4.866 0.567 21.395 1.00 50.00 H new ATOM 478 N ASP A 33 -3.120 0.023 16.067 1.00 50.00 N ATOM 479 CA ASP A 33 -3.161 -0.273 14.606 1.00 50.00 C ATOM 480 C ASP A 33 -4.186 -1.376 14.323 1.00 50.00 C ATOM 481 O ASP A 33 -4.458 -2.211 15.162 1.00 50.00 O ATOM 482 CB ASP A 33 -1.749 -0.745 14.256 1.00 50.00 C ATOM 483 CG ASP A 33 -1.378 -0.249 12.857 1.00 50.00 C ATOM 484 OD1 ASP A 33 -2.211 0.394 12.238 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.270 -0.520 12.428 1.00 50.00 O ATOM 0 H ASP A 33 -2.186 0.101 16.469 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.455 0.594 14.015 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.036 -0.367 14.989 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.698 -1.833 14.293 1.00 50.00 H new ATOM 490 N GLY A 34 -4.759 -1.381 13.150 1.00 50.00 N ATOM 491 CA GLY A 34 -5.768 -2.428 12.821 1.00 50.00 C ATOM 492 C GLY A 34 -5.078 -3.787 12.698 1.00 50.00 C ATOM 493 O GLY A 34 -5.692 -4.822 12.861 1.00 50.00 O ATOM 0 H GLY A 34 -4.573 -0.707 12.407 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.533 -2.466 13.597 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.273 -2.180 11.887 1.00 50.00 H new ATOM 497 N GLU A 35 -3.806 -3.796 12.413 1.00 50.00 N ATOM 498 CA GLU A 35 -3.082 -5.091 12.286 1.00 50.00 C ATOM 499 C GLU A 35 -2.855 -5.700 13.673 1.00 50.00 C ATOM 500 O GLU A 35 -2.794 -6.902 13.833 1.00 50.00 O ATOM 501 CB GLU A 35 -1.746 -4.737 11.632 1.00 50.00 C ATOM 502 CG GLU A 35 -1.841 -4.959 10.120 1.00 50.00 C ATOM 503 CD GLU A 35 -0.952 -3.943 9.400 1.00 50.00 C ATOM 504 OE1 GLU A 35 0.227 -3.892 9.712 1.00 50.00 O ATOM 505 OE2 GLU A 35 -1.465 -3.234 8.550 1.00 50.00 O ATOM 0 H GLU A 35 -3.237 -2.963 12.263 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.639 -5.823 11.701 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.490 -3.698 11.842 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -0.950 -5.352 12.051 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -1.529 -5.973 9.870 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.874 -4.853 9.790 1.00 50.00 H new ATOM 512 N ASP A 36 -2.730 -4.873 14.674 1.00 50.00 N ATOM 513 CA ASP A 36 -2.501 -5.390 16.055 1.00 50.00 C ATOM 514 C ASP A 36 -3.831 -5.708 16.744 1.00 50.00 C ATOM 515 O ASP A 36 -3.992 -6.750 17.344 1.00 50.00 O ATOM 516 CB ASP A 36 -1.788 -4.248 16.780 1.00 50.00 C ATOM 517 CG ASP A 36 -0.333 -4.174 16.310 1.00 50.00 C ATOM 518 OD1 ASP A 36 0.164 -5.178 15.830 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.259 -3.115 16.441 1.00 50.00 O ATOM 0 H ASP A 36 -2.777 -3.857 14.596 1.00 50.00 H new ATOM 0 HA ASP A 36 -1.922 -6.313 16.056 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.294 -3.304 16.580 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.826 -4.408 17.858 1.00 50.00 H new ATOM 524 N TYR A 37 -4.783 -4.818 16.675 1.00 12.50 N ATOM 525 CA TYR A 37 -6.090 -5.082 17.345 1.00 12.50 C ATOM 526 C TYR A 37 -7.256 -4.758 16.408 1.00 12.50 C ATOM 527 O TYR A 37 -7.203 -3.828 15.629 1.00 12.50 O ATOM 528 CB TYR A 37 -6.097 -4.149 18.558 1.00 12.50 C ATOM 529 CG TYR A 37 -7.503 -4.020 19.097 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.115 -5.111 19.725 1.00 50.00 C ATOM 531 CD2 TYR A 37 -8.191 -2.808 18.971 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.417 -4.990 20.226 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.493 -2.686 19.472 1.00 50.00 C ATOM 534 CZ TYR A 37 -10.106 -3.777 20.099 1.00 12.50 C ATOM 535 OH TYR A 37 -11.389 -3.657 20.594 1.00 50.00 O ATOM 0 H TYR A 37 -4.714 -3.925 16.187 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.205 -6.129 17.627 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.436 -4.539 19.332 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.714 -3.168 18.276 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.583 -6.046 19.823 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.718 -1.966 18.487 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.890 -5.832 20.710 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -10.024 -1.751 19.375 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.498 -4.250 21.366 1.00 50.00 H new ATOM 545 N GLY A 38 -8.311 -5.523 16.483 1.00 10.00 N ATOM 546 CA GLY A 38 -9.486 -5.264 15.605 1.00 10.00 C ATOM 547 C GLY A 38 -10.386 -6.501 15.584 1.00 10.00 C ATOM 548 O GLY A 38 -9.930 -7.616 15.745 1.00 10.00 O ATOM 0 H GLY A 38 -8.409 -6.317 17.116 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.043 -4.401 15.970 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.154 -5.025 14.595 1.00 10.00 H new ATOM 552 N THR A 39 -11.663 -6.317 15.383 1.00 10.00 N ATOM 553 CA THR A 39 -12.586 -7.486 15.352 1.00 10.00 C ATOM 554 C THR A 39 -12.508 -8.169 13.984 1.00 10.00 C ATOM 555 O THR A 39 -12.765 -7.565 12.962 1.00 10.00 O ATOM 556 CB THR A 39 -13.981 -6.898 15.581 1.00 50.00 C ATOM 557 OG1 THR A 39 -13.982 -6.140 16.783 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.005 -8.030 15.691 1.00 50.00 C ATOM 0 H THR A 39 -12.106 -5.409 15.239 1.00 10.00 H new ATOM 0 HA THR A 39 -12.336 -8.236 16.103 1.00 10.00 H new ATOM 0 HB THR A 39 -14.244 -6.254 14.742 1.00 50.00 H new ATOM 0 HG1 THR A 39 -14.874 -5.761 16.930 1.00 50.00 H new ATOM 0 HG21 THR A 39 -15.997 -7.609 15.854 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.005 -8.612 14.769 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.744 -8.677 16.528 1.00 50.00 H new ATOM 566 N MET A 40 -12.147 -9.422 13.957 1.00 10.00 N ATOM 567 CA MET A 40 -12.044 -10.138 12.652 1.00 10.00 C ATOM 568 C MET A 40 -13.351 -10.868 12.331 1.00 10.00 C ATOM 569 O MET A 40 -13.466 -12.063 12.515 1.00 10.00 O ATOM 570 CB MET A 40 -10.905 -11.140 12.838 1.00 10.00 C ATOM 571 CG MET A 40 -9.850 -10.916 11.753 1.00 10.00 C ATOM 572 SD MET A 40 -8.581 -12.201 11.871 1.00 12.50 S ATOM 573 CE MET A 40 -9.175 -13.228 10.503 1.00 50.00 C ATOM 0 H MET A 40 -11.919 -9.981 14.779 1.00 10.00 H new ATOM 0 HA MET A 40 -11.858 -9.452 11.825 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.458 -11.021 13.825 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.289 -12.159 12.783 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.316 -10.939 10.768 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.397 -9.931 11.869 1.00 10.00 H new ATOM 0 HE1 MET A 40 -9.557 -14.171 10.895 1.00 50.00 H new ATOM 0 HE2 MET A 40 -9.972 -12.705 9.975 1.00 50.00 H new ATOM 0 HE3 MET A 40 -8.354 -13.428 9.815 1.00 50.00 H new ATOM 583 N GLU A 41 -14.333 -10.162 11.841 1.00 10.00 N ATOM 584 CA GLU A 41 -15.625 -10.824 11.497 1.00 10.00 C ATOM 585 C GLU A 41 -15.501 -11.517 10.138 1.00 10.00 C ATOM 586 O GLU A 41 -15.319 -10.878 9.121 1.00 10.00 O ATOM 587 CB GLU A 41 -16.649 -9.690 11.434 1.00 10.00 C ATOM 588 CG GLU A 41 -18.057 -10.265 11.599 1.00 10.00 C ATOM 589 CD GLU A 41 -19.091 -9.201 11.225 1.00 12.50 C ATOM 590 OE1 GLU A 41 -19.059 -8.743 10.095 1.00 12.50 O ATOM 591 OE2 GLU A 41 -19.899 -8.863 12.076 1.00 12.50 O ATOM 0 H GLU A 41 -14.298 -9.158 11.664 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.913 -11.585 12.223 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -16.448 -8.960 12.219 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -16.568 -9.165 10.482 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -18.179 -11.144 10.966 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -18.210 -10.590 12.628 1.00 10.00 H new ATOM 598 N VAL A 42 -15.587 -12.820 10.110 1.00 10.00 N ATOM 599 CA VAL A 42 -15.463 -13.544 8.812 1.00 10.00 C ATOM 600 C VAL A 42 -16.595 -14.561 8.651 1.00 10.00 C ATOM 601 O VAL A 42 -17.379 -14.780 9.554 1.00 10.00 O ATOM 602 CB VAL A 42 -14.112 -14.257 8.887 1.00 10.00 C ATOM 603 CG1 VAL A 42 -13.045 -13.278 9.382 1.00 10.00 C ATOM 604 CG2 VAL A 42 -14.211 -15.437 9.858 1.00 10.00 C ATOM 0 H VAL A 42 -15.737 -13.412 10.927 1.00 10.00 H new ATOM 0 HA VAL A 42 -15.526 -12.868 7.959 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.839 -14.622 7.897 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -12.082 -13.786 9.436 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -12.974 -12.437 8.692 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -13.318 -12.912 10.372 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -13.248 -15.946 9.912 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -14.484 -15.072 10.848 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -14.971 -16.135 9.506 1.00 10.00 H new ATOM 614 N ALA A 43 -16.686 -15.183 7.507 1.00 10.00 N ATOM 615 CA ALA A 43 -17.766 -16.186 7.284 1.00 10.00 C ATOM 616 C ALA A 43 -17.393 -17.520 7.936 1.00 10.00 C ATOM 617 O ALA A 43 -16.301 -17.692 8.442 1.00 10.00 O ATOM 618 CB ALA A 43 -17.854 -16.338 5.765 1.00 50.00 C ATOM 0 H ALA A 43 -16.058 -15.040 6.716 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.716 -15.875 7.720 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.630 -17.062 5.516 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -18.099 -15.375 5.317 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -16.896 -16.685 5.378 1.00 50.00 H new ATOM 624 N GLU A 44 -18.291 -18.467 7.928 1.00 10.00 N ATOM 625 CA GLU A 44 -17.987 -19.790 8.546 1.00 10.00 C ATOM 626 C GLU A 44 -17.009 -20.573 7.666 1.00 10.00 C ATOM 627 O GLU A 44 -17.303 -20.902 6.534 1.00 10.00 O ATOM 628 CB GLU A 44 -19.332 -20.511 8.625 1.00 10.00 C ATOM 629 CG GLU A 44 -19.430 -21.263 9.953 1.00 10.00 C ATOM 630 CD GLU A 44 -20.590 -22.259 9.892 1.00 25.00 C ATOM 631 OE1 GLU A 44 -20.990 -22.605 8.792 1.00 25.00 O ATOM 632 OE2 GLU A 44 -21.058 -22.658 10.945 1.00 25.00 O ATOM 0 H GLU A 44 -19.222 -18.382 7.520 1.00 10.00 H new ATOM 0 HA GLU A 44 -17.521 -19.689 9.526 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -20.147 -19.793 8.541 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.433 -21.207 7.792 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -18.496 -21.788 10.155 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -19.584 -20.559 10.771 1.00 10.00 H new ATOM 639 N GLY A 45 -15.848 -20.874 8.178 1.00 10.00 N ATOM 640 CA GLY A 45 -14.852 -21.636 7.372 1.00 10.00 C ATOM 641 C GLY A 45 -13.852 -20.664 6.743 1.00 10.00 C ATOM 642 O GLY A 45 -13.003 -21.051 5.965 1.00 10.00 O ATOM 0 H GLY A 45 -15.545 -20.625 9.120 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.329 -22.353 8.005 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.359 -22.207 6.594 1.00 10.00 H new ATOM 646 N GLU A 46 -13.942 -19.404 7.075 1.00 10.00 N ATOM 647 CA GLU A 46 -12.993 -18.413 6.494 1.00 10.00 C ATOM 648 C GLU A 46 -11.669 -18.434 7.262 1.00 10.00 C ATOM 649 O GLU A 46 -11.566 -17.909 8.352 1.00 10.00 O ATOM 650 CB GLU A 46 -13.685 -17.060 6.658 1.00 10.00 C ATOM 651 CG GLU A 46 -14.127 -16.543 5.287 1.00 10.00 C ATOM 652 CD GLU A 46 -12.900 -16.370 4.388 1.00 10.00 C ATOM 653 OE1 GLU A 46 -12.227 -15.362 4.525 1.00 10.00 O ATOM 654 OE2 GLU A 46 -12.656 -17.249 3.579 1.00 10.00 O ATOM 0 H GLU A 46 -14.630 -19.019 7.722 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.759 -18.628 5.452 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.548 -17.158 7.317 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -13.006 -16.347 7.126 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -14.829 -17.242 4.832 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -14.649 -15.592 5.396 1.00 10.00 H new ATOM 661 N TYR A 47 -10.656 -19.036 6.702 1.00 10.00 N ATOM 662 CA TYR A 47 -9.340 -19.089 7.402 1.00 10.00 C ATOM 663 C TYR A 47 -8.928 -17.688 7.863 1.00 10.00 C ATOM 664 O TYR A 47 -8.907 -16.751 7.091 1.00 10.00 O ATOM 665 CB TYR A 47 -8.358 -19.624 6.360 1.00 10.00 C ATOM 666 CG TYR A 47 -8.536 -21.117 6.226 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.436 -21.937 7.357 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.806 -21.682 4.974 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.603 -23.322 7.236 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.974 -23.066 4.852 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.873 -23.887 5.983 1.00 10.00 C ATOM 672 OH TYR A 47 -9.039 -25.251 5.864 1.00 10.00 O ATOM 0 H TYR A 47 -10.682 -19.493 5.791 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.371 -19.718 8.292 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.529 -19.138 5.399 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.335 -19.393 6.656 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.230 -21.501 8.323 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.885 -21.050 4.102 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.524 -23.954 8.108 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.182 -23.501 3.886 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.221 -25.478 4.928 1.00 10.00 H new ATOM 682 N ILE A 48 -8.603 -17.538 9.119 1.00 10.00 N ATOM 683 CA ILE A 48 -8.195 -16.199 9.633 1.00 10.00 C ATOM 684 C ILE A 48 -7.227 -15.524 8.659 1.00 10.00 C ATOM 685 O ILE A 48 -7.566 -14.566 7.994 1.00 10.00 O ATOM 686 CB ILE A 48 -7.500 -16.483 10.965 1.00 10.00 C ATOM 687 CG1 ILE A 48 -8.533 -16.938 11.996 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.810 -15.212 11.462 1.00 10.00 C ATOM 689 CD1 ILE A 48 -7.867 -17.045 13.370 1.00 10.00 C ATOM 0 H ILE A 48 -8.603 -18.286 9.812 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.046 -15.527 9.748 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.758 -17.269 10.825 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.361 -16.230 12.035 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -8.952 -17.902 11.707 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.315 -15.414 12.412 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.071 -14.889 10.729 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -7.552 -14.426 11.600 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -8.602 -17.369 14.106 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -7.054 -17.770 13.325 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -7.469 -16.072 13.658 1.00 10.00 H new ATOM 701 N LEU A 49 -6.020 -16.015 8.575 1.00 10.00 N ATOM 702 CA LEU A 49 -5.025 -15.401 7.648 1.00 10.00 C ATOM 703 C LEU A 49 -5.685 -15.048 6.312 1.00 10.00 C ATOM 704 O LEU A 49 -5.410 -14.020 5.727 1.00 10.00 O ATOM 705 CB LEU A 49 -3.955 -16.474 7.450 1.00 10.00 C ATOM 706 CG LEU A 49 -3.065 -16.092 6.265 1.00 10.00 C ATOM 707 CD1 LEU A 49 -2.555 -14.662 6.451 1.00 10.00 C ATOM 708 CD2 LEU A 49 -1.877 -17.053 6.188 1.00 10.00 C ATOM 0 H LEU A 49 -5.679 -16.815 9.108 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.608 -14.476 8.047 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.353 -16.574 8.353 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.424 -17.442 7.270 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.642 -16.154 5.342 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -1.921 -14.389 5.607 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -3.402 -13.978 6.505 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.978 -14.599 7.374 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -1.243 -16.781 5.344 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -1.299 -16.992 7.110 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -2.241 -18.072 6.055 1.00 10.00 H new ATOM 720 N GLU A 50 -6.549 -15.893 5.823 1.00 10.00 N ATOM 721 CA GLU A 50 -7.220 -15.602 4.523 1.00 10.00 C ATOM 722 C GLU A 50 -8.343 -14.579 4.717 1.00 10.00 C ATOM 723 O GLU A 50 -8.495 -13.657 3.941 1.00 10.00 O ATOM 724 CB GLU A 50 -7.791 -16.944 4.065 1.00 10.00 C ATOM 725 CG GLU A 50 -7.544 -17.120 2.565 1.00 10.00 C ATOM 726 CD GLU A 50 -8.422 -18.256 2.035 1.00 50.00 C ATOM 727 OE1 GLU A 50 -8.548 -19.252 2.728 1.00 50.00 O ATOM 728 OE2 GLU A 50 -8.952 -18.110 0.947 1.00 50.00 O ATOM 0 H GLU A 50 -6.820 -16.771 6.265 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.532 -15.178 3.792 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -7.324 -17.758 4.619 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.860 -16.987 4.276 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -7.771 -16.194 2.037 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -6.493 -17.342 2.382 1.00 10.00 H new ATOM 735 N ALA A 51 -9.132 -14.736 5.745 1.00 10.00 N ATOM 736 CA ALA A 51 -10.246 -13.774 5.984 1.00 10.00 C ATOM 737 C ALA A 51 -9.698 -12.358 6.161 1.00 10.00 C ATOM 738 O ALA A 51 -10.154 -11.421 5.536 1.00 10.00 O ATOM 739 CB ALA A 51 -10.916 -14.254 7.271 1.00 12.50 C ATOM 0 H ALA A 51 -9.054 -15.488 6.429 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.945 -13.740 5.148 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.749 -13.595 7.515 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.286 -15.270 7.132 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.192 -14.240 8.085 1.00 12.50 H new ATOM 745 N ALA A 52 -8.727 -12.199 7.007 1.00 10.00 N ATOM 746 CA ALA A 52 -8.144 -10.846 7.232 1.00 10.00 C ATOM 747 C ALA A 52 -7.292 -10.430 6.031 1.00 10.00 C ATOM 748 O ALA A 52 -7.133 -9.260 5.744 1.00 10.00 O ATOM 749 CB ALA A 52 -7.275 -10.987 8.482 1.00 10.00 C ATOM 0 H ALA A 52 -8.307 -12.948 7.557 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.913 -10.083 7.356 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.810 -10.028 8.712 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -7.894 -11.301 9.322 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.500 -11.732 8.304 1.00 10.00 H new ATOM 755 N GLU A 53 -6.745 -11.381 5.325 1.00 10.00 N ATOM 756 CA GLU A 53 -5.904 -11.042 4.141 1.00 10.00 C ATOM 757 C GLU A 53 -6.724 -10.259 3.117 1.00 10.00 C ATOM 758 O GLU A 53 -6.262 -9.298 2.536 1.00 10.00 O ATOM 759 CB GLU A 53 -5.471 -12.389 3.562 1.00 10.00 C ATOM 760 CG GLU A 53 -4.028 -12.684 3.976 1.00 10.00 C ATOM 761 CD GLU A 53 -3.073 -12.159 2.902 1.00 10.00 C ATOM 762 OE1 GLU A 53 -3.552 -11.568 1.948 1.00 10.00 O ATOM 763 OE2 GLU A 53 -1.879 -12.356 3.053 1.00 10.00 O ATOM 0 H GLU A 53 -6.844 -12.378 5.516 1.00 10.00 H new ATOM 0 HA GLU A 53 -5.050 -10.419 4.408 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -6.131 -13.179 3.919 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.552 -12.372 2.475 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -3.809 -12.213 4.934 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.888 -13.757 4.109 1.00 10.00 H new ATOM 770 N ALA A 54 -7.939 -10.668 2.897 1.00 10.00 N ATOM 771 CA ALA A 54 -8.800 -9.953 1.912 1.00 10.00 C ATOM 772 C ALA A 54 -9.084 -8.529 2.396 1.00 10.00 C ATOM 773 O ALA A 54 -9.555 -7.693 1.650 1.00 10.00 O ATOM 774 CB ALA A 54 -10.091 -10.770 1.853 1.00 50.00 C ATOM 0 H ALA A 54 -8.376 -11.467 3.356 1.00 10.00 H new ATOM 0 HA ALA A 54 -8.328 -9.866 0.933 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.782 -10.309 1.147 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.864 -11.785 1.528 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.549 -10.799 2.842 1.00 50.00 H new ATOM 780 N GLN A 55 -8.799 -8.247 3.638 1.00 10.00 N ATOM 781 CA GLN A 55 -9.051 -6.875 4.167 1.00 10.00 C ATOM 782 C GLN A 55 -7.756 -6.061 4.156 1.00 10.00 C ATOM 783 O GLN A 55 -7.770 -4.856 4.000 1.00 10.00 O ATOM 784 CB GLN A 55 -9.542 -7.089 5.599 1.00 10.00 C ATOM 785 CG GLN A 55 -10.697 -8.093 5.597 1.00 10.00 C ATOM 786 CD GLN A 55 -12.014 -7.354 5.845 1.00 10.00 C ATOM 787 OE1 GLN A 55 -12.055 -6.394 6.588 1.00 10.00 O ATOM 788 NE2 GLN A 55 -13.100 -7.765 5.249 1.00 10.00 N ATOM 0 H GLN A 55 -8.403 -8.906 4.309 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.776 -6.325 3.567 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.727 -7.457 6.223 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.870 -6.142 6.028 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.736 -8.617 4.642 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.539 -8.847 6.368 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -13.065 -8.571 4.625 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -13.983 -7.280 5.407 1.00 10.00 H new ATOM 797 N GLY A 56 -6.635 -6.709 4.319 1.00 10.00 N ATOM 798 CA GLY A 56 -5.339 -5.971 4.315 1.00 10.00 C ATOM 799 C GLY A 56 -4.593 -6.226 5.627 1.00 10.00 C ATOM 800 O GLY A 56 -3.811 -5.412 6.075 1.00 10.00 O ATOM 0 H GLY A 56 -6.560 -7.717 4.455 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.729 -6.293 3.471 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.518 -4.903 4.190 1.00 10.00 H new ATOM 804 N TYR A 57 -4.826 -7.351 6.247 1.00 10.00 N ATOM 805 CA TYR A 57 -4.124 -7.651 7.530 1.00 10.00 C ATOM 806 C TYR A 57 -2.853 -8.461 7.258 1.00 10.00 C ATOM 807 O TYR A 57 -2.666 -8.996 6.183 1.00 10.00 O ATOM 808 CB TYR A 57 -5.124 -8.472 8.347 1.00 10.00 C ATOM 809 CG TYR A 57 -6.172 -7.554 8.928 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.788 -6.478 9.736 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.528 -7.780 8.661 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.760 -5.627 10.278 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.499 -6.929 9.201 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.115 -5.852 10.010 1.00 12.50 C ATOM 815 OH TYR A 57 -9.072 -5.014 10.544 1.00 12.50 O ATOM 0 H TYR A 57 -5.469 -8.073 5.923 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.817 -6.747 8.056 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.595 -9.225 7.715 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.608 -9.004 9.146 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.742 -6.304 9.942 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.824 -8.611 8.038 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.464 -4.797 10.903 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.545 -7.103 8.994 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.975 -4.986 11.519 1.00 12.50 H new ATOM 825 N ASP A 58 -1.974 -8.555 8.220 1.00 10.00 N ATOM 826 CA ASP A 58 -0.716 -9.330 8.007 1.00 10.00 C ATOM 827 C ASP A 58 -0.470 -10.286 9.178 1.00 10.00 C ATOM 828 O ASP A 58 -0.623 -9.927 10.329 1.00 10.00 O ATOM 829 CB ASP A 58 0.390 -8.278 7.934 1.00 10.00 C ATOM 830 CG ASP A 58 1.682 -8.934 7.440 1.00 10.00 C ATOM 831 OD1 ASP A 58 1.592 -9.978 6.814 1.00 10.00 O ATOM 832 OD2 ASP A 58 2.739 -8.380 7.696 1.00 10.00 O ATOM 0 H ASP A 58 -2.072 -8.130 9.142 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.760 -9.942 7.106 1.00 10.00 H new ATOM 0 HB2 ASP A 58 0.097 -7.472 7.261 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.548 -7.831 8.916 1.00 10.00 H new ATOM 837 N TRP A 59 -0.090 -11.502 8.892 1.00 10.00 N ATOM 838 CA TRP A 59 0.166 -12.484 9.986 1.00 10.00 C ATOM 839 C TRP A 59 1.455 -13.261 9.711 1.00 10.00 C ATOM 840 O TRP A 59 1.881 -13.378 8.579 1.00 10.00 O ATOM 841 CB TRP A 59 -1.036 -13.429 9.960 1.00 10.00 C ATOM 842 CG TRP A 59 -2.297 -12.632 9.911 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.723 -11.919 8.845 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.302 -12.456 10.950 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.922 -11.309 9.165 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.322 -11.612 10.451 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.428 -12.940 12.265 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.425 -11.259 11.225 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.539 -12.586 13.048 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.535 -11.748 12.529 1.00 50.00 C ATOM 0 H TRP A 59 0.054 -11.859 7.947 1.00 10.00 H new ATOM 0 HA TRP A 59 0.286 -11.997 10.954 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -0.976 -14.087 9.093 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.030 -14.066 10.845 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.211 -11.839 7.898 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.447 -10.709 8.529 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.666 -13.587 12.675 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.189 -10.612 10.820 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.626 -12.962 14.057 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.387 -11.480 13.137 1.00 50.00 H new ATOM 861 N PRO A 60 2.025 -13.779 10.765 1.00 10.00 N ATOM 862 CA PRO A 60 3.273 -14.569 10.640 1.00 10.00 C ATOM 863 C PRO A 60 2.965 -15.935 10.026 1.00 10.00 C ATOM 864 O PRO A 60 2.015 -16.594 10.401 1.00 10.00 O ATOM 865 CB PRO A 60 3.751 -14.713 12.082 1.00 10.00 C ATOM 866 CG PRO A 60 2.517 -14.570 12.916 1.00 10.00 C ATOM 867 CD PRO A 60 1.568 -13.678 12.155 1.00 10.00 C ATOM 0 HA PRO A 60 4.020 -14.103 9.997 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.228 -15.680 12.245 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.487 -13.949 12.332 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.064 -15.543 13.103 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.757 -14.138 13.887 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.535 -14.011 12.261 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.610 -12.650 12.516 1.00 10.00 H new ATOM 875 N PHE A 61 3.754 -16.366 9.082 1.00 10.00 N ATOM 876 CA PHE A 61 3.496 -17.687 8.445 1.00 10.00 C ATOM 877 C PHE A 61 4.770 -18.211 7.780 1.00 10.00 C ATOM 878 O PHE A 61 5.645 -17.455 7.405 1.00 10.00 O ATOM 879 CB PHE A 61 2.415 -17.419 7.398 1.00 10.00 C ATOM 880 CG PHE A 61 3.007 -16.624 6.260 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.761 -17.271 5.274 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.803 -15.242 6.192 1.00 10.00 C ATOM 883 CE1 PHE A 61 4.311 -16.535 4.218 1.00 10.00 C ATOM 884 CE2 PHE A 61 3.353 -14.505 5.137 1.00 10.00 C ATOM 885 CZ PHE A 61 4.106 -15.151 4.150 1.00 10.00 C ATOM 0 H PHE A 61 4.565 -15.861 8.724 1.00 10.00 H new ATOM 0 HA PHE A 61 3.183 -18.440 9.169 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.011 -18.361 7.027 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.586 -16.871 7.847 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.918 -18.338 5.328 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.221 -14.744 6.953 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.893 -17.034 3.457 1.00 10.00 H new ATOM 0 HE2 PHE A 61 3.196 -13.438 5.085 1.00 10.00 H new ATOM 0 HZ PHE A 61 4.529 -14.582 3.335 1.00 10.00 H new ATOM 895 N SER A 62 4.880 -19.501 7.635 1.00 10.00 N ATOM 896 CA SER A 62 6.093 -20.082 6.999 1.00 10.00 C ATOM 897 C SER A 62 5.712 -21.305 6.164 1.00 10.00 C ATOM 898 O SER A 62 5.962 -21.362 4.976 1.00 10.00 O ATOM 899 CB SER A 62 6.992 -20.491 8.168 1.00 10.00 C ATOM 900 OG SER A 62 8.228 -19.799 8.078 1.00 10.00 O ATOM 0 H SER A 62 4.179 -20.180 7.931 1.00 10.00 H new ATOM 0 HA SER A 62 6.588 -19.379 6.329 1.00 10.00 H new ATOM 0 HB2 SER A 62 6.503 -20.262 9.115 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.163 -21.567 8.150 1.00 10.00 H new ATOM 0 HG SER A 62 8.804 -20.059 8.827 1.00 10.00 H new ATOM 906 N CYS A 63 5.118 -22.288 6.781 1.00 10.00 N ATOM 907 CA CYS A 63 4.730 -23.516 6.032 1.00 10.00 C ATOM 908 C CYS A 63 3.399 -23.303 5.280 1.00 10.00 C ATOM 909 O CYS A 63 3.248 -23.717 4.148 1.00 10.00 O ATOM 910 CB CYS A 63 4.641 -24.604 7.116 1.00 10.00 C ATOM 911 SG CYS A 63 2.996 -24.647 7.866 1.00 10.00 S ATOM 0 H CYS A 63 4.884 -22.294 7.774 1.00 10.00 H new ATOM 0 HA CYS A 63 5.442 -23.791 5.254 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.870 -25.576 6.679 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.390 -24.416 7.886 1.00 10.00 H new ATOM 0 HG CYS A 63 3.060 -24.185 9.079 1.00 10.00 H new ATOM 916 N ARG A 64 2.448 -22.639 5.887 1.00 10.00 N ATOM 917 CA ARG A 64 1.142 -22.371 5.192 1.00 10.00 C ATOM 918 C ARG A 64 0.383 -23.668 4.873 1.00 10.00 C ATOM 919 O ARG A 64 -0.378 -23.735 3.927 1.00 10.00 O ATOM 920 CB ARG A 64 1.530 -21.653 3.900 1.00 10.00 C ATOM 921 CG ARG A 64 0.561 -20.496 3.649 1.00 10.00 C ATOM 922 CD ARG A 64 1.201 -19.187 4.114 1.00 10.00 C ATOM 923 NE ARG A 64 0.471 -18.119 3.373 1.00 10.00 N ATOM 924 CZ ARG A 64 0.434 -18.139 2.069 1.00 10.00 C ATOM 925 NH1 ARG A 64 1.546 -18.176 1.386 1.00 10.00 N ATOM 926 NH2 ARG A 64 -0.713 -18.119 1.448 1.00 10.00 N ATOM 0 H ARG A 64 2.515 -22.269 6.835 1.00 10.00 H new ATOM 0 HA ARG A 64 0.473 -21.783 5.821 1.00 10.00 H new ATOM 0 HB2 ARG A 64 2.551 -21.277 3.972 1.00 10.00 H new ATOM 0 HB3 ARG A 64 1.506 -22.350 3.062 1.00 10.00 H new ATOM 0 HG2 ARG A 64 0.315 -20.437 2.589 1.00 10.00 H new ATOM 0 HG3 ARG A 64 -0.373 -20.667 4.184 1.00 10.00 H new ATOM 0 HD2 ARG A 64 1.101 -19.059 5.192 1.00 10.00 H new ATOM 0 HD3 ARG A 64 2.267 -19.166 3.888 1.00 10.00 H new ATOM 0 HE ARG A 64 0.001 -17.373 3.885 1.00 10.00 H new ATOM 0 HH11 ARG A 64 2.443 -18.189 1.872 1.00 10.00 H new ATOM 0 HH12 ARG A 64 1.518 -18.192 0.367 1.00 10.00 H new ATOM 0 HH21 ARG A 64 -1.582 -18.088 1.982 1.00 10.00 H new ATOM 0 HH22 ARG A 64 -0.741 -18.135 0.429 1.00 10.00 H new ATOM 940 N ALA A 65 0.573 -24.689 5.656 1.00 10.00 N ATOM 941 CA ALA A 65 -0.137 -25.976 5.417 1.00 10.00 C ATOM 942 C ALA A 65 -0.618 -26.575 6.749 1.00 10.00 C ATOM 943 O ALA A 65 -1.183 -27.649 6.785 1.00 10.00 O ATOM 944 CB ALA A 65 0.902 -26.885 4.761 1.00 10.00 C ATOM 0 H ALA A 65 1.198 -24.688 6.462 1.00 10.00 H new ATOM 0 HA ALA A 65 -1.021 -25.850 4.791 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.455 -27.857 4.552 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.243 -26.435 3.829 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.750 -27.013 5.434 1.00 10.00 H new ATOM 950 N GLY A 66 -0.399 -25.889 7.845 1.00 10.00 N ATOM 951 CA GLY A 66 -0.850 -26.428 9.163 1.00 10.00 C ATOM 952 C GLY A 66 0.162 -27.457 9.683 1.00 10.00 C ATOM 953 O GLY A 66 -0.208 -28.466 10.251 1.00 10.00 O ATOM 0 H GLY A 66 0.070 -24.984 7.882 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.956 -25.615 9.881 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.831 -26.891 9.059 1.00 10.00 H new ATOM 957 N ALA A 67 1.433 -27.223 9.487 1.00 10.00 N ATOM 958 CA ALA A 67 2.453 -28.205 9.966 1.00 10.00 C ATOM 959 C ALA A 67 3.566 -27.518 10.775 1.00 10.00 C ATOM 960 O ALA A 67 4.603 -28.098 11.025 1.00 10.00 O ATOM 961 CB ALA A 67 3.028 -28.823 8.691 1.00 10.00 C ATOM 0 H ALA A 67 1.809 -26.399 9.018 1.00 10.00 H new ATOM 0 HA ALA A 67 2.011 -28.946 10.632 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.788 -29.559 8.954 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.230 -29.310 8.131 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.476 -28.041 8.078 1.00 10.00 H new ATOM 967 N CYS A 68 3.364 -26.297 11.198 1.00 10.00 N ATOM 968 CA CYS A 68 4.423 -25.607 12.003 1.00 10.00 C ATOM 969 C CYS A 68 3.776 -24.640 13.009 1.00 10.00 C ATOM 970 O CYS A 68 2.571 -24.615 13.165 1.00 10.00 O ATOM 971 CB CYS A 68 5.315 -24.885 10.974 1.00 10.00 C ATOM 972 SG CYS A 68 4.737 -23.196 10.663 1.00 10.00 S ATOM 0 H CYS A 68 2.521 -25.750 11.024 1.00 10.00 H new ATOM 0 HA CYS A 68 5.018 -26.298 12.600 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.342 -24.858 11.337 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.322 -25.446 10.040 1.00 10.00 H new ATOM 0 HG CYS A 68 5.516 -22.624 9.794 1.00 10.00 H new ATOM 977 N ALA A 69 4.561 -23.860 13.711 1.00 10.00 N ATOM 978 CA ALA A 69 3.966 -22.925 14.717 1.00 10.00 C ATOM 979 C ALA A 69 4.406 -21.475 14.472 1.00 10.00 C ATOM 980 O ALA A 69 4.174 -20.607 15.290 1.00 10.00 O ATOM 981 CB ALA A 69 4.493 -23.415 16.066 1.00 25.00 C ATOM 0 H ALA A 69 5.578 -23.829 13.633 1.00 10.00 H new ATOM 0 HA ALA A 69 2.877 -22.924 14.663 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.102 -22.781 16.862 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.171 -24.443 16.231 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.582 -23.371 16.069 1.00 25.00 H new ATOM 987 N ASN A 70 5.033 -21.201 13.365 1.00 10.00 N ATOM 988 CA ASN A 70 5.477 -19.802 13.092 1.00 10.00 C ATOM 989 C ASN A 70 4.273 -18.855 13.129 1.00 10.00 C ATOM 990 O ASN A 70 4.355 -17.750 13.628 1.00 10.00 O ATOM 991 CB ASN A 70 6.084 -19.841 11.689 1.00 50.00 C ATOM 992 CG ASN A 70 7.468 -20.491 11.750 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.601 -21.627 12.160 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.513 -19.813 11.356 1.00 50.00 N ATOM 0 H ASN A 70 5.258 -21.880 12.638 1.00 10.00 H new ATOM 0 HA ASN A 70 6.192 -19.443 13.832 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.436 -20.403 11.016 1.00 50.00 H new ATOM 0 HB3 ASN A 70 6.162 -18.831 11.287 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.440 -20.237 11.393 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.402 -18.859 11.012 1.00 50.00 H new ATOM 1001 N CYS A 71 3.155 -19.283 12.612 1.00 10.00 N ATOM 1002 CA CYS A 71 1.943 -18.412 12.625 1.00 10.00 C ATOM 1003 C CYS A 71 1.190 -18.591 13.947 1.00 10.00 C ATOM 1004 O CYS A 71 0.053 -18.183 14.090 1.00 10.00 O ATOM 1005 CB CYS A 71 1.095 -18.896 11.444 1.00 10.00 C ATOM 1006 SG CYS A 71 0.353 -20.501 11.844 1.00 10.00 S ATOM 0 H CYS A 71 3.027 -20.198 12.181 1.00 10.00 H new ATOM 0 HA CYS A 71 2.186 -17.353 12.538 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.314 -18.169 11.222 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.714 -18.983 10.551 1.00 10.00 H new ATOM 0 HG CYS A 71 -0.205 -20.998 10.780 1.00 10.00 H new ATOM 1011 N ALA A 72 1.814 -19.216 14.907 1.00 10.00 N ATOM 1012 CA ALA A 72 1.146 -19.449 16.222 1.00 10.00 C ATOM 1013 C ALA A 72 0.400 -18.199 16.704 1.00 10.00 C ATOM 1014 O ALA A 72 0.772 -17.077 16.410 1.00 10.00 O ATOM 1015 CB ALA A 72 2.282 -19.791 17.186 1.00 10.00 C ATOM 0 H ALA A 72 2.765 -19.578 14.838 1.00 10.00 H new ATOM 0 HA ALA A 72 0.400 -20.241 16.154 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.873 -19.977 18.179 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.801 -20.683 16.835 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.983 -18.958 17.233 1.00 10.00 H new ATOM 1021 N SER A 73 -0.648 -18.402 17.458 1.00 10.00 N ATOM 1022 CA SER A 73 -1.438 -17.258 17.996 1.00 10.00 C ATOM 1023 C SER A 73 -1.847 -17.568 19.439 1.00 10.00 C ATOM 1024 O SER A 73 -1.348 -18.493 20.042 1.00 10.00 O ATOM 1025 CB SER A 73 -2.669 -17.162 17.093 1.00 50.00 C ATOM 1026 OG SER A 73 -3.522 -18.272 17.332 1.00 50.00 O ATOM 0 H SER A 73 -0.993 -19.323 17.727 1.00 10.00 H new ATOM 0 HA SER A 73 -0.879 -16.322 18.005 1.00 10.00 H new ATOM 0 HB2 SER A 73 -3.203 -16.232 17.287 1.00 50.00 H new ATOM 0 HB3 SER A 73 -2.364 -17.143 16.047 1.00 50.00 H new ATOM 0 HG SER A 73 -3.507 -18.869 16.555 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.747 -16.808 19.998 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.180 -17.073 21.401 1.00 10.00 C ATOM 1034 C ILE A 74 -4.661 -16.716 21.567 1.00 10.00 C ATOM 1035 O ILE A 74 -5.003 -15.657 22.058 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.307 -16.168 22.275 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.826 -16.421 21.974 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.582 -16.467 23.751 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.453 -17.858 22.354 1.00 10.00 C ATOM 0 H ILE A 74 -3.202 -16.015 19.546 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.069 -18.122 21.675 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.544 -15.126 22.059 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.627 -16.253 20.916 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.208 -15.717 22.530 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -1.961 -15.824 24.374 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.633 -16.280 23.970 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.348 -17.511 23.961 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.601 -18.030 22.137 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -0.634 -18.012 23.418 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.060 -18.556 21.778 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.540 -17.590 21.159 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.000 -17.302 21.291 1.00 10.00 C ATOM 1053 C VAL A 75 -7.339 -16.911 22.733 1.00 10.00 C ATOM 1054 O VAL A 75 -7.099 -17.658 23.659 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.696 -18.610 20.908 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.377 -19.683 21.949 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.208 -18.384 20.853 1.00 50.00 C ATOM 0 H VAL A 75 -5.312 -18.492 20.740 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.316 -16.472 20.659 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.341 -18.938 19.931 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.873 -20.614 21.675 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -6.300 -19.844 21.988 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.731 -19.357 22.927 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.705 -19.315 20.580 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.563 -18.056 21.830 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.435 -17.620 20.109 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.899 -15.747 22.935 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.249 -15.324 24.320 1.00 10.00 C ATOM 1069 C LYS A 76 -9.636 -15.853 24.693 1.00 10.00 C ATOM 1070 O LYS A 76 -10.036 -15.826 25.839 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.248 -13.796 24.283 1.00 25.00 C ATOM 1072 CG LYS A 76 -8.560 -13.251 25.678 1.00 25.00 C ATOM 1073 CD LYS A 76 -10.016 -12.785 25.729 1.00 50.00 C ATOM 1074 CE LYS A 76 -10.402 -12.474 27.177 1.00 50.00 C ATOM 1075 NZ LYS A 76 -10.056 -11.036 27.363 1.00 50.00 N ATOM 0 H LYS A 76 -8.128 -15.074 22.203 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.549 -15.710 25.061 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.278 -13.431 23.947 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -8.988 -13.439 23.567 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -8.387 -14.022 26.429 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -7.893 -12.422 25.914 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -10.147 -11.899 25.108 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -10.671 -13.557 25.325 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -11.464 -12.651 27.350 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -9.855 -13.106 27.877 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -10.291 -10.745 28.333 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -9.038 -10.900 27.198 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -10.597 -10.459 26.688 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.371 -16.336 23.729 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.731 -16.870 24.024 1.00 10.00 C ATOM 1091 C GLU A 77 -12.350 -17.456 22.752 1.00 10.00 C ATOM 1092 O GLU A 77 -11.849 -17.264 21.662 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.536 -15.665 24.511 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.576 -16.126 25.535 1.00 10.00 C ATOM 1095 CD GLU A 77 -14.830 -15.259 25.415 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -14.939 -14.544 24.431 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -15.659 -15.322 26.308 1.00 25.00 O ATOM 0 H GLU A 77 -10.089 -16.384 22.750 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.712 -17.668 24.766 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.871 -14.927 24.959 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.029 -15.179 23.669 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -13.828 -17.173 25.367 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -13.166 -16.054 26.543 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.433 -18.171 22.883 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.078 -18.769 21.681 1.00 10.00 C ATOM 1106 C GLY A 78 -13.278 -19.995 21.236 1.00 10.00 C ATOM 1107 O GLY A 78 -12.169 -20.217 21.678 1.00 10.00 O ATOM 0 H GLY A 78 -13.899 -18.367 23.769 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.105 -19.054 21.909 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.122 -18.037 20.875 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.832 -20.793 20.365 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.100 -22.005 19.896 1.00 10.00 C ATOM 1113 C GLU A 79 -12.736 -21.862 18.416 1.00 10.00 C ATOM 1114 O GLU A 79 -13.492 -21.328 17.629 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.078 -23.162 20.099 1.00 25.00 C ATOM 1116 CG GLU A 79 -13.342 -24.491 19.910 1.00 25.00 C ATOM 1117 CD GLU A 79 -14.237 -25.640 20.377 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -14.541 -25.688 21.557 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -14.604 -26.454 19.545 1.00 50.00 O ATOM 0 H GLU A 79 -14.758 -20.659 19.958 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.168 -22.161 20.439 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.513 -23.114 21.097 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -14.901 -23.086 19.389 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -13.076 -24.626 18.862 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -12.411 -24.487 20.477 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.585 -22.340 18.032 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.173 -22.236 16.603 1.00 10.00 C ATOM 1128 C ILE A 80 -11.073 -23.632 15.982 1.00 10.00 C ATOM 1129 O ILE A 80 -10.891 -24.616 16.671 1.00 10.00 O ATOM 1130 CB ILE A 80 -9.802 -21.561 16.634 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -9.905 -20.225 17.374 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.323 -21.315 15.202 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.519 -19.585 17.467 1.00 50.00 C ATOM 0 H ILE A 80 -10.911 -22.798 18.646 1.00 10.00 H new ATOM 0 HA ILE A 80 -11.889 -21.673 16.005 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.092 -22.207 17.150 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -10.590 -19.559 16.850 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.313 -20.381 18.373 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.345 -20.834 15.223 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.248 -22.266 14.675 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.034 -20.670 14.686 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.592 -18.634 17.994 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -7.847 -20.250 18.010 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.129 -19.415 16.464 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.196 -23.724 14.687 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.110 -25.059 14.025 1.00 10.00 C ATOM 1147 C ASP A 81 -9.750 -25.227 13.342 1.00 10.00 C ATOM 1148 O ASP A 81 -9.272 -24.341 12.664 1.00 10.00 O ATOM 1149 CB ASP A 81 -12.234 -25.055 12.988 1.00 10.00 C ATOM 1150 CG ASP A 81 -12.018 -26.202 11.997 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -11.412 -27.187 12.385 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -12.463 -26.075 10.868 1.00 10.00 O ATOM 0 H ASP A 81 -11.352 -22.936 14.059 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.210 -25.880 14.735 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.199 -25.164 13.482 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.252 -24.102 12.459 1.00 10.00 H new ATOM 1157 N MET A 82 -9.124 -26.359 13.517 1.00 12.50 N ATOM 1158 CA MET A 82 -7.796 -26.583 12.877 1.00 12.50 C ATOM 1159 C MET A 82 -7.831 -27.852 12.020 1.00 12.50 C ATOM 1160 O MET A 82 -8.847 -28.508 11.905 1.00 12.50 O ATOM 1161 CB MET A 82 -6.816 -26.746 14.038 1.00 12.50 C ATOM 1162 CG MET A 82 -7.252 -27.922 14.915 1.00 12.50 C ATOM 1163 SD MET A 82 -8.060 -27.295 16.409 1.00 12.50 S ATOM 1164 CE MET A 82 -6.556 -26.823 17.297 1.00 50.00 C ATOM 0 H MET A 82 -9.474 -27.138 14.075 1.00 12.50 H new ATOM 0 HA MET A 82 -7.511 -25.762 12.219 1.00 12.50 H new ATOM 0 HB2 MET A 82 -5.809 -26.917 13.656 1.00 12.50 H new ATOM 0 HB3 MET A 82 -6.781 -25.831 14.629 1.00 12.50 H new ATOM 0 HG2 MET A 82 -7.935 -28.567 14.363 1.00 12.50 H new ATOM 0 HG3 MET A 82 -6.387 -28.529 15.184 1.00 12.50 H new ATOM 0 HE1 MET A 82 -6.813 -26.520 18.312 1.00 50.00 H new ATOM 0 HE2 MET A 82 -5.873 -27.672 17.334 1.00 50.00 H new ATOM 0 HE3 MET A 82 -6.074 -25.992 16.781 1.00 50.00 H new ATOM 1174 N ASP A 83 -6.726 -28.202 11.419 1.00 50.00 N ATOM 1175 CA ASP A 83 -6.696 -29.427 10.570 1.00 50.00 C ATOM 1176 C ASP A 83 -6.554 -30.675 11.445 1.00 50.00 C ATOM 1177 O ASP A 83 -5.959 -30.639 12.504 1.00 50.00 O ATOM 1178 CB ASP A 83 -5.470 -29.257 9.674 1.00 50.00 C ATOM 1179 CG ASP A 83 -5.921 -28.884 8.259 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -6.936 -29.405 7.826 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -5.244 -28.086 7.633 1.00 50.00 O ATOM 0 H ASP A 83 -5.844 -27.693 11.479 1.00 50.00 H new ATOM 0 HA ASP A 83 -7.611 -29.550 9.990 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -4.817 -28.482 10.076 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -4.892 -30.181 9.651 1.00 50.00 H new ATOM 1186 N MET A 84 -7.095 -31.779 11.009 1.00 50.00 N ATOM 1187 CA MET A 84 -6.992 -33.031 11.814 1.00 50.00 C ATOM 1188 C MET A 84 -5.551 -33.548 11.807 1.00 50.00 C ATOM 1189 O MET A 84 -5.123 -34.209 10.882 1.00 50.00 O ATOM 1190 CB MET A 84 -7.923 -34.024 11.117 1.00 50.00 C ATOM 1191 CG MET A 84 -8.683 -34.836 12.167 1.00 50.00 C ATOM 1192 SD MET A 84 -9.889 -35.906 11.346 1.00 50.00 S ATOM 1193 CE MET A 84 -9.192 -37.487 11.882 1.00 50.00 C ATOM 0 H MET A 84 -7.604 -31.869 10.130 1.00 50.00 H new ATOM 0 HA MET A 84 -7.267 -32.877 12.857 1.00 50.00 H new ATOM 0 HB2 MET A 84 -8.625 -33.491 10.476 1.00 50.00 H new ATOM 0 HB3 MET A 84 -7.346 -34.690 10.475 1.00 50.00 H new ATOM 0 HG2 MET A 84 -7.986 -35.437 12.752 1.00 50.00 H new ATOM 0 HG3 MET A 84 -9.189 -34.167 12.863 1.00 50.00 H new ATOM 0 HE1 MET A 84 -9.792 -38.304 11.481 1.00 50.00 H new ATOM 0 HE2 MET A 84 -8.169 -37.576 11.517 1.00 50.00 H new ATOM 0 HE3 MET A 84 -9.194 -37.535 12.971 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.801 -33.254 12.834 1.00 16.66 N ATOM 1204 CA GLN A 85 -3.388 -33.730 12.884 1.00 16.66 C ATOM 1205 C GLN A 85 -2.866 -33.685 14.324 1.00 16.66 C ATOM 1206 O GLN A 85 -3.629 -33.684 15.271 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.611 -32.758 11.998 1.00 16.66 C ATOM 1208 CG GLN A 85 -2.219 -33.459 10.695 1.00 16.66 C ATOM 1209 CD GLN A 85 -2.453 -32.515 9.515 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -3.193 -32.832 8.605 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -1.849 -31.359 9.490 1.00 16.66 N ATOM 0 H GLN A 85 -5.104 -32.706 13.639 1.00 16.66 H new ATOM 0 HA GLN A 85 -3.286 -34.760 12.543 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -3.219 -31.880 11.782 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -1.719 -32.408 12.518 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -1.172 -33.759 10.732 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -2.806 -34.368 10.568 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -1.228 -31.092 10.253 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -1.998 -30.722 8.707 1.00 16.66 H new ATOM 1220 N GLN A 86 -1.573 -33.651 14.498 1.00 16.66 N ATOM 1221 CA GLN A 86 -1.008 -33.608 15.878 1.00 16.66 C ATOM 1222 C GLN A 86 0.152 -32.609 15.946 1.00 16.66 C ATOM 1223 O GLN A 86 1.171 -32.869 16.554 1.00 16.66 O ATOM 1224 CB GLN A 86 -0.508 -35.028 16.142 1.00 16.66 C ATOM 1225 CG GLN A 86 -0.864 -35.436 17.573 1.00 16.66 C ATOM 1226 CD GLN A 86 0.122 -36.500 18.060 1.00 50.00 C ATOM 1227 OE1 GLN A 86 0.962 -36.956 17.308 1.00 50.00 O ATOM 1228 NE2 GLN A 86 0.057 -36.918 19.294 1.00 50.00 N ATOM 0 H GLN A 86 -0.884 -33.651 13.746 1.00 16.66 H new ATOM 0 HA GLN A 86 -1.744 -33.289 16.616 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -0.958 -35.722 15.432 1.00 16.66 H new ATOM 0 HB3 GLN A 86 0.571 -35.078 15.996 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -0.831 -34.566 18.229 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -1.882 -35.824 17.609 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -0.647 -36.536 19.925 1.00 50.00 H new ATOM 0 HE22 GLN A 86 0.710 -37.627 19.627 1.00 50.00 H new ATOM 1237 N ILE A 87 0.004 -31.469 15.330 1.00 12.50 N ATOM 1238 CA ILE A 87 1.099 -30.456 15.364 1.00 12.50 C ATOM 1239 C ILE A 87 1.038 -29.661 16.671 1.00 12.50 C ATOM 1240 O ILE A 87 2.019 -29.094 17.112 1.00 12.50 O ATOM 1241 CB ILE A 87 0.831 -29.540 14.170 1.00 50.00 C ATOM 1242 CG1 ILE A 87 2.006 -28.579 13.989 1.00 50.00 C ATOM 1243 CG2 ILE A 87 -0.448 -28.739 14.422 1.00 50.00 C ATOM 1244 CD1 ILE A 87 3.204 -29.339 13.415 1.00 50.00 C ATOM 0 H ILE A 87 -0.826 -31.194 14.805 1.00 12.50 H new ATOM 0 HA ILE A 87 2.087 -30.914 15.312 1.00 12.50 H new ATOM 0 HB ILE A 87 0.713 -30.142 13.269 1.00 50.00 H new ATOM 0 HG12 ILE A 87 1.724 -27.765 13.321 1.00 50.00 H new ATOM 0 HG13 ILE A 87 2.272 -28.129 14.945 1.00 50.00 H new ATOM 0 HG21 ILE A 87 -0.641 -28.085 13.572 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -1.286 -29.423 14.551 1.00 50.00 H new ATOM 0 HG23 ILE A 87 -0.329 -28.137 15.323 1.00 50.00 H new ATOM 0 HD11 ILE A 87 4.042 -28.654 13.286 1.00 50.00 H new ATOM 0 HD12 ILE A 87 3.490 -30.137 14.100 1.00 50.00 H new ATOM 0 HD13 ILE A 87 2.934 -29.768 12.450 1.00 50.00 H new ATOM 1256 N LEU A 88 -0.108 -29.616 17.292 1.00 12.50 N ATOM 1257 CA LEU A 88 -0.234 -28.857 18.570 1.00 12.50 C ATOM 1258 C LEU A 88 -0.641 -29.801 19.705 1.00 12.50 C ATOM 1259 O LEU A 88 -0.750 -30.997 19.523 1.00 12.50 O ATOM 1260 CB LEU A 88 -1.332 -27.825 18.310 1.00 12.50 C ATOM 1261 CG LEU A 88 -0.814 -26.431 18.669 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -0.541 -25.642 17.386 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -1.864 -25.697 19.505 1.00 12.50 C ATOM 0 H LEU A 88 -0.963 -30.071 16.971 1.00 12.50 H new ATOM 0 HA LEU A 88 0.704 -28.388 18.868 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -1.634 -27.854 17.263 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -2.216 -28.061 18.903 1.00 12.50 H new ATOM 0 HG LEU A 88 0.108 -26.523 19.242 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -0.172 -24.649 17.641 1.00 12.50 H new ATOM 0 HD12 LEU A 88 0.207 -26.165 16.790 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -1.463 -25.550 16.812 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -1.496 -24.704 19.761 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -2.786 -25.605 18.932 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -2.059 -26.258 20.419 1.00 12.50 H new ATOM 1275 N SER A 89 -0.864 -29.272 20.878 1.00 12.50 N ATOM 1276 CA SER A 89 -1.263 -30.140 22.023 1.00 12.50 C ATOM 1277 C SER A 89 -2.439 -29.516 22.777 1.00 12.50 C ATOM 1278 O SER A 89 -2.503 -28.316 22.965 1.00 12.50 O ATOM 1279 CB SER A 89 -0.026 -30.204 22.919 1.00 12.50 C ATOM 1280 OG SER A 89 1.079 -30.685 22.167 1.00 12.50 O ATOM 0 H SER A 89 -0.787 -28.278 21.093 1.00 12.50 H new ATOM 0 HA SER A 89 -1.585 -31.130 21.698 1.00 12.50 H new ATOM 0 HB2 SER A 89 0.197 -29.216 23.321 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.213 -30.859 23.770 1.00 12.50 H new ATOM 0 HG SER A 89 1.873 -30.725 22.741 1.00 12.50 H new ATOM 1286 N ASP A 90 -3.371 -30.319 23.213 1.00 10.00 N ATOM 1287 CA ASP A 90 -4.542 -29.771 23.955 1.00 10.00 C ATOM 1288 C ASP A 90 -4.076 -28.784 25.026 1.00 10.00 C ATOM 1289 O ASP A 90 -4.590 -27.691 25.144 1.00 10.00 O ATOM 1290 CB ASP A 90 -5.204 -30.988 24.602 1.00 10.00 C ATOM 1291 CG ASP A 90 -6.533 -31.283 23.902 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -6.978 -30.441 23.138 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -7.082 -32.345 24.142 1.00 10.00 O ATOM 0 H ASP A 90 -3.372 -31.331 23.087 1.00 10.00 H new ATOM 0 HA ASP A 90 -5.228 -29.231 23.302 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -4.545 -31.853 24.532 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -5.374 -30.801 25.662 1.00 10.00 H new ATOM 1298 N GLU A 91 -3.105 -29.162 25.804 1.00 12.50 N ATOM 1299 CA GLU A 91 -2.603 -28.245 26.867 1.00 12.50 C ATOM 1300 C GLU A 91 -2.163 -26.919 26.247 1.00 12.50 C ATOM 1301 O GLU A 91 -2.161 -25.890 26.893 1.00 12.50 O ATOM 1302 CB GLU A 91 -1.408 -28.969 27.485 1.00 12.50 C ATOM 1303 CG GLU A 91 -1.901 -30.164 28.301 1.00 12.50 C ATOM 1304 CD GLU A 91 -0.700 -30.957 28.819 1.00 50.00 C ATOM 1305 OE1 GLU A 91 0.046 -31.468 28.000 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -0.546 -31.038 30.027 1.00 50.00 O ATOM 0 H GLU A 91 -2.635 -30.066 25.752 1.00 12.50 H new ATOM 0 HA GLU A 91 -3.366 -28.015 27.610 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -0.729 -29.306 26.702 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.846 -28.287 28.123 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -2.512 -29.821 29.136 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -2.534 -30.803 27.685 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.791 -26.936 24.997 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.350 -25.677 24.333 1.00 10.00 C ATOM 1315 C GLU A 92 -2.562 -24.808 23.988 1.00 10.00 C ATOM 1316 O GLU A 92 -2.505 -23.595 24.046 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.636 -26.130 23.059 1.00 50.00 C ATOM 1318 CG GLU A 92 0.652 -25.324 22.884 1.00 50.00 C ATOM 1319 CD GLU A 92 1.779 -26.254 22.431 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.483 -27.226 21.756 1.00 50.00 O ATOM 1321 OE2 GLU A 92 2.920 -25.977 22.765 1.00 50.00 O ATOM 0 H GLU A 92 -1.773 -27.767 24.406 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.702 -25.078 24.973 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.407 -27.194 23.116 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.286 -25.990 22.195 1.00 50.00 H new ATOM 0 HG2 GLU A 92 0.501 -24.533 22.149 1.00 50.00 H new ATOM 0 HG3 GLU A 92 0.921 -24.840 23.823 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.660 -25.417 23.627 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.873 -24.623 23.277 1.00 10.00 C ATOM 1330 C VAL A 93 -5.602 -24.174 24.548 1.00 10.00 C ATOM 1331 O VAL A 93 -6.394 -23.253 24.527 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.748 -25.574 22.452 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.467 -26.560 23.377 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -6.785 -24.763 21.673 1.00 10.00 C ATOM 0 H VAL A 93 -3.769 -26.429 23.559 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.627 -23.717 22.723 1.00 10.00 H new ATOM 0 HB VAL A 93 -5.116 -26.129 21.759 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.086 -27.232 22.782 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -5.731 -27.141 23.932 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -7.097 -26.010 24.076 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -7.408 -25.438 21.086 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -7.411 -24.206 22.371 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -6.276 -24.066 21.007 1.00 10.00 H new ATOM 1344 N GLU A 94 -5.346 -24.821 25.652 1.00 12.50 N ATOM 1345 CA GLU A 94 -6.030 -24.431 26.918 1.00 12.50 C ATOM 1346 C GLU A 94 -5.115 -23.544 27.766 1.00 12.50 C ATOM 1347 O GLU A 94 -5.556 -22.602 28.393 1.00 12.50 O ATOM 1348 CB GLU A 94 -6.316 -25.750 27.637 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.568 -26.396 27.041 1.00 12.50 C ATOM 1350 CD GLU A 94 -7.798 -27.760 27.695 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -6.819 -28.412 28.020 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -8.949 -28.128 27.861 1.00 12.50 O ATOM 0 H GLU A 94 -4.694 -25.601 25.732 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.941 -23.861 26.735 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -5.464 -26.423 27.537 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -6.458 -25.572 28.703 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -8.434 -25.753 27.201 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -7.453 -26.512 25.963 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.843 -23.837 27.791 1.00 12.50 N ATOM 1360 CA GLU A 95 -2.905 -23.006 28.599 1.00 12.50 C ATOM 1361 C GLU A 95 -2.290 -21.907 27.729 1.00 12.50 C ATOM 1362 O GLU A 95 -2.195 -20.763 28.130 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.825 -23.977 29.077 1.00 25.00 C ATOM 1364 CG GLU A 95 -1.596 -23.786 30.579 1.00 25.00 C ATOM 1365 CD GLU A 95 -0.094 -23.703 30.858 1.00 50.00 C ATOM 1366 OE1 GLU A 95 0.654 -23.486 29.920 1.00 50.00 O ATOM 1367 OE2 GLU A 95 0.284 -23.860 32.008 1.00 50.00 O ATOM 0 H GLU A 95 -3.414 -24.614 27.288 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.405 -22.511 29.431 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -2.128 -25.004 28.872 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.897 -23.803 28.532 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -2.091 -22.877 30.921 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -2.035 -24.616 31.133 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.872 -22.245 26.540 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.263 -21.219 25.646 1.00 25.00 C ATOM 1376 C LYS A 96 -2.303 -20.697 24.651 1.00 25.00 C ATOM 1377 O LYS A 96 -2.075 -19.731 23.950 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.138 -21.952 24.914 1.00 25.00 C ATOM 1379 CG LYS A 96 1.210 -21.556 25.523 1.00 25.00 C ATOM 1380 CD LYS A 96 2.337 -22.284 24.788 1.00 25.00 C ATOM 1381 CE LYS A 96 3.665 -22.015 25.499 1.00 25.00 C ATOM 1382 NZ LYS A 96 4.218 -23.365 25.803 1.00 25.00 N ATOM 0 H LYS A 96 -1.926 -23.186 26.149 1.00 25.00 H new ATOM 0 HA LYS A 96 -0.895 -20.355 26.199 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.281 -23.030 24.991 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.157 -21.703 23.853 1.00 25.00 H new ATOM 0 HG2 LYS A 96 1.351 -20.478 25.450 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.230 -21.809 26.583 1.00 25.00 H new ATOM 0 HD2 LYS A 96 2.136 -23.355 24.762 1.00 25.00 H new ATOM 0 HD3 LYS A 96 2.390 -21.944 23.754 1.00 25.00 H new ATOM 0 HE2 LYS A 96 4.344 -21.444 24.866 1.00 25.00 H new ATOM 0 HE3 LYS A 96 3.515 -21.435 26.410 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 5.130 -23.264 26.292 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 3.554 -23.883 26.413 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 4.356 -23.891 24.917 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.444 -21.327 24.583 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.498 -20.862 23.631 1.00 10.00 C ATOM 1398 C ASP A 97 -3.896 -20.677 22.240 1.00 10.00 C ATOM 1399 O ASP A 97 -4.267 -19.781 21.508 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.998 -19.508 24.161 1.00 50.00 C ATOM 1401 CG ASP A 97 -4.754 -19.388 25.671 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -4.897 -20.389 26.356 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -4.427 -18.300 26.115 1.00 50.00 O ATOM 0 H ASP A 97 -3.694 -22.142 25.143 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.310 -21.586 23.557 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -4.487 -18.698 23.640 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -6.062 -19.401 23.951 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.961 -21.505 21.870 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.334 -21.355 20.529 1.00 10.00 C ATOM 1410 C VAL A 98 -3.113 -22.141 19.473 1.00 10.00 C ATOM 1411 O VAL A 98 -3.958 -22.957 19.786 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.923 -21.922 20.686 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.254 -22.005 19.312 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.103 -21.006 21.598 1.00 50.00 C ATOM 0 H VAL A 98 -2.605 -22.276 22.435 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.326 -20.316 20.199 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.977 -22.918 21.126 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.752 -22.409 19.421 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -0.838 -22.656 18.662 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -0.199 -21.009 18.873 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.903 -21.410 21.710 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.047 -20.010 21.158 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -0.580 -20.944 22.576 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.830 -21.900 18.222 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.544 -22.627 17.134 1.00 10.00 C ATOM 1426 C ARG A 99 -2.945 -22.255 15.776 1.00 10.00 C ATOM 1427 O ARG A 99 -1.984 -21.516 15.692 1.00 10.00 O ATOM 1428 CB ARG A 99 -4.996 -22.157 17.226 1.00 50.00 C ATOM 1429 CG ARG A 99 -5.929 -23.365 17.114 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.428 -23.752 18.507 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.858 -24.121 18.312 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.667 -24.161 19.336 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -8.869 -23.088 20.051 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -9.273 -25.274 19.645 1.00 50.00 N ATOM 0 H ARG A 99 -2.132 -21.228 17.905 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.461 -23.709 17.236 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.163 -21.641 18.171 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.210 -21.443 16.430 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -6.773 -23.128 16.466 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.403 -24.204 16.658 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -5.857 -24.586 18.914 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -6.326 -22.923 19.208 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.205 -24.342 17.379 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -8.395 -22.218 19.810 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -9.501 -23.120 20.851 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -9.115 -26.113 19.087 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.905 -25.305 20.445 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.503 -22.759 14.711 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.963 -22.431 13.361 1.00 10.00 C ATOM 1450 C LEU A 100 -3.850 -21.385 12.678 1.00 10.00 C ATOM 1451 O LEU A 100 -4.953 -21.672 12.258 1.00 10.00 O ATOM 1452 CB LEU A 100 -2.995 -23.751 12.589 1.00 10.00 C ATOM 1453 CG LEU A 100 -2.381 -24.858 13.449 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -2.667 -26.218 12.811 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -0.868 -24.651 13.547 1.00 10.00 C ATOM 0 H LEU A 100 -4.309 -23.384 14.716 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.958 -22.013 13.408 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.022 -24.007 12.326 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.442 -23.652 11.655 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.818 -24.824 14.447 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -2.230 -27.006 13.424 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -3.744 -26.368 12.742 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -2.231 -26.250 11.812 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -0.432 -25.440 14.160 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -0.431 -24.683 12.549 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.662 -23.682 14.002 1.00 10.00 H new ATOM 1467 N THR A 101 -3.376 -20.175 12.568 1.00 10.00 N ATOM 1468 CA THR A 101 -4.191 -19.110 11.917 1.00 10.00 C ATOM 1469 C THR A 101 -4.133 -19.248 10.394 1.00 10.00 C ATOM 1470 O THR A 101 -5.018 -18.808 9.687 1.00 10.00 O ATOM 1471 CB THR A 101 -3.547 -17.796 12.361 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.139 -17.963 12.438 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.090 -17.396 13.732 1.00 10.00 C ATOM 0 H THR A 101 -2.459 -19.877 12.901 1.00 10.00 H new ATOM 0 HA THR A 101 -5.243 -19.167 12.197 1.00 10.00 H new ATOM 0 HB THR A 101 -3.782 -17.015 11.638 1.00 10.00 H new ATOM 0 HG1 THR A 101 -1.865 -18.002 13.378 1.00 10.00 H new ATOM 0 HG21 THR A 101 -3.630 -16.459 14.047 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.171 -17.267 13.672 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.858 -18.176 14.457 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.098 -19.854 9.881 1.00 10.00 N ATOM 1482 CA CYS A 102 -2.989 -20.016 8.403 1.00 10.00 C ATOM 1483 C CYS A 102 -3.969 -21.085 7.913 1.00 10.00 C ATOM 1484 O CYS A 102 -4.437 -21.045 6.793 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.544 -20.454 8.155 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.238 -22.028 8.994 1.00 10.00 S ATOM 0 H CYS A 102 -2.324 -20.243 10.420 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.231 -19.097 7.869 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.363 -20.559 7.085 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.854 -19.694 8.522 1.00 10.00 H new ATOM 0 HG CYS A 102 -0.011 -22.401 8.782 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.285 -22.039 8.745 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.238 -23.108 8.326 1.00 10.00 C ATOM 1493 C ILE A 103 -6.293 -23.327 9.414 1.00 10.00 C ATOM 1494 O ILE A 103 -6.843 -24.401 9.552 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.380 -24.365 8.158 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.840 -24.799 9.522 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.210 -24.067 7.218 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -4.418 -26.167 9.889 1.00 50.00 C ATOM 0 H ILE A 103 -3.926 -22.125 9.696 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.768 -22.851 7.409 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.989 -25.164 7.735 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.751 -24.848 9.495 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -4.107 -24.064 10.281 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.601 -24.963 7.100 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.594 -23.759 6.246 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.601 -23.267 7.638 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -4.033 -26.476 10.861 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -5.505 -26.103 9.933 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -4.128 -26.899 9.135 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.576 -22.318 10.190 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.591 -22.472 11.270 1.00 10.00 C ATOM 1512 C GLY A 104 -8.718 -21.459 11.068 1.00 10.00 C ATOM 1513 O GLY A 104 -8.484 -20.296 10.802 1.00 10.00 O ATOM 0 H GLY A 104 -6.149 -21.394 10.123 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -7.994 -23.485 11.262 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.125 -22.322 12.244 1.00 10.00 H new ATOM 1517 N SER A 105 -9.943 -21.891 11.201 1.00 10.00 N ATOM 1518 CA SER A 105 -11.090 -20.956 11.025 1.00 10.00 C ATOM 1519 C SER A 105 -11.896 -20.873 12.325 1.00 10.00 C ATOM 1520 O SER A 105 -11.886 -21.794 13.118 1.00 10.00 O ATOM 1521 CB SER A 105 -11.933 -21.566 9.904 1.00 10.00 C ATOM 1522 OG SER A 105 -11.099 -22.338 9.052 1.00 10.00 O ATOM 0 H SER A 105 -10.199 -22.853 11.424 1.00 10.00 H new ATOM 0 HA SER A 105 -10.769 -19.943 10.781 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.720 -22.192 10.325 1.00 10.00 H new ATOM 0 HB3 SER A 105 -12.424 -20.778 9.333 1.00 10.00 H new ATOM 0 HG SER A 105 -10.364 -21.781 8.722 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.568 -19.768 12.500 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.385 -19.561 13.721 1.00 10.00 C ATOM 1530 C PRO A 106 -14.640 -20.440 13.678 1.00 10.00 C ATOM 1531 O PRO A 106 -15.383 -20.431 12.718 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.751 -18.081 13.661 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.670 -17.720 12.211 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.629 -18.618 11.590 1.00 10.00 C ATOM 0 HA PRO A 106 -12.861 -19.826 14.639 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.752 -17.906 14.056 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -13.064 -17.480 14.256 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.636 -17.856 11.725 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.397 -16.672 12.089 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.912 -18.921 10.582 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.664 -18.117 11.513 1.00 10.00 H new ATOM 1542 N ALA A 107 -14.878 -21.197 14.715 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.082 -22.077 14.735 1.00 10.00 C ATOM 1544 C ALA A 107 -17.150 -21.491 15.661 1.00 10.00 C ATOM 1545 O ALA A 107 -18.334 -21.649 15.439 1.00 10.00 O ATOM 1546 CB ALA A 107 -15.582 -23.417 15.274 1.00 50.00 C ATOM 0 H ALA A 107 -14.292 -21.244 15.548 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.537 -22.177 13.750 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.411 -24.123 15.320 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -14.808 -23.809 14.614 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.170 -23.276 16.273 1.00 50.00 H new ATOM 1552 N ALA A 108 -16.739 -20.815 16.698 1.00 10.00 N ATOM 1553 CA ALA A 108 -17.728 -20.218 17.641 1.00 10.00 C ATOM 1554 C ALA A 108 -18.155 -18.833 17.150 1.00 10.00 C ATOM 1555 O ALA A 108 -17.576 -18.282 16.234 1.00 10.00 O ATOM 1556 CB ALA A 108 -16.987 -20.110 18.973 1.00 50.00 C ATOM 0 H ALA A 108 -15.761 -20.650 16.934 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.634 -20.818 17.726 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.649 -19.678 19.724 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -16.672 -21.102 19.295 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.111 -19.473 18.851 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.164 -18.262 17.751 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.624 -16.912 17.316 1.00 50.00 C ATOM 1564 C ASP A 109 -18.569 -15.858 17.668 1.00 50.00 C ATOM 1565 O ASP A 109 -17.795 -15.439 16.829 1.00 50.00 O ATOM 1566 CB ASP A 109 -20.922 -16.667 18.087 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.912 -17.795 17.787 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.753 -18.439 16.763 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.812 -17.995 18.586 1.00 50.00 O ATOM 0 H ASP A 109 -19.689 -18.672 18.524 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.780 -16.852 16.239 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -20.719 -16.621 19.157 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -21.351 -15.706 17.802 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.523 -15.429 18.901 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.508 -14.409 19.297 1.00 10.00 C ATOM 1576 C GLU A 110 -16.199 -15.107 19.678 1.00 10.00 C ATOM 1577 O GLU A 110 -16.176 -15.983 20.519 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.111 -13.697 20.510 1.00 10.00 C ATOM 1579 CG GLU A 110 -18.696 -12.353 20.073 1.00 10.00 C ATOM 1580 CD GLU A 110 -19.913 -12.020 20.940 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -19.780 -12.059 22.153 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -20.956 -11.732 20.378 1.00 50.00 O ATOM 0 H GLU A 110 -19.142 -15.740 19.650 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.280 -13.710 18.492 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -18.888 -14.315 20.959 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.347 -13.543 21.272 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -17.944 -11.569 20.167 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -18.985 -12.394 19.023 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.109 -14.734 19.062 1.00 10.00 N ATOM 1590 CA VAL A 111 -13.813 -15.394 19.392 1.00 10.00 C ATOM 1591 C VAL A 111 -12.694 -14.358 19.527 1.00 10.00 C ATOM 1592 O VAL A 111 -12.458 -13.563 18.639 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.534 -16.329 18.213 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.450 -17.336 18.606 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.814 -17.078 17.838 1.00 12.50 C ATOM 0 H VAL A 111 -15.060 -14.006 18.349 1.00 10.00 H new ATOM 0 HA VAL A 111 -13.859 -15.928 20.341 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.194 -15.743 17.359 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.251 -18.002 17.767 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.537 -16.803 18.871 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.789 -17.921 19.461 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.613 -17.743 16.998 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.156 -17.664 18.691 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.586 -16.361 17.557 1.00 12.50 H new ATOM 1605 N LYS A 112 -11.996 -14.369 20.631 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.883 -13.394 20.824 1.00 10.00 C ATOM 1607 C LYS A 112 -9.536 -14.111 20.684 1.00 10.00 C ATOM 1608 O LYS A 112 -9.387 -15.249 21.080 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.065 -12.861 22.246 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.380 -12.084 22.334 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.279 -11.036 23.444 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.683 -10.577 23.840 1.00 25.00 C ATOM 1613 NZ LYS A 112 -14.184 -9.816 22.661 1.00 25.00 N ATOM 0 H LYS A 112 -12.148 -15.012 21.408 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.898 -12.591 20.087 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.070 -13.687 22.958 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.229 -12.214 22.513 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.594 -11.600 21.381 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -13.205 -12.766 22.537 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -11.764 -11.455 24.309 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -11.689 -10.185 23.103 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -14.328 -11.427 24.065 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -13.657 -9.951 24.732 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -14.540 -8.890 22.972 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -13.409 -9.679 21.981 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -14.953 -10.348 22.206 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.557 -13.459 20.120 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.225 -14.112 19.953 1.00 10.00 C ATOM 1629 C ILE A 113 -6.129 -13.068 19.744 1.00 10.00 C ATOM 1630 O ILE A 113 -6.362 -12.002 19.210 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.371 -14.988 18.710 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -5.997 -15.525 18.301 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -7.953 -14.157 17.565 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.150 -16.453 17.094 1.00 10.00 C ATOM 0 H ILE A 113 -8.620 -12.504 19.768 1.00 10.00 H new ATOM 0 HA ILE A 113 -6.941 -14.687 20.834 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.038 -15.822 18.930 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.330 -14.698 18.055 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.543 -16.064 19.133 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.057 -14.782 16.678 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.931 -13.773 17.855 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.286 -13.323 17.345 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.172 -16.835 16.803 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -6.802 -17.286 17.356 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.585 -15.899 16.262 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.930 -13.377 20.151 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.806 -12.415 19.968 1.00 10.00 C ATOM 1648 C VAL A 114 -2.951 -12.863 18.782 1.00 10.00 C ATOM 1649 O VAL A 114 -2.485 -13.985 18.736 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.001 -12.481 21.269 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -2.113 -11.241 21.378 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.954 -12.531 22.466 1.00 50.00 C ATOM 0 H VAL A 114 -4.679 -14.256 20.604 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.148 -11.400 19.765 1.00 10.00 H new ATOM 0 HB VAL A 114 -2.381 -13.378 21.265 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.539 -11.285 22.303 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.431 -11.206 20.529 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -2.736 -10.346 21.380 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.376 -12.578 23.389 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.577 -11.637 22.473 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.588 -13.414 22.390 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.748 -12.012 17.813 1.00 10.00 N ATOM 1663 CA TYR A 115 -1.933 -12.427 16.638 1.00 10.00 C ATOM 1664 C TYR A 115 -0.454 -12.065 16.845 1.00 10.00 C ATOM 1665 O TYR A 115 -0.119 -11.225 17.663 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.573 -11.709 15.433 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.870 -10.411 15.109 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.476 -9.540 16.131 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.621 -10.076 13.770 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -0.833 -8.339 15.818 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.977 -8.873 13.458 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.582 -8.006 14.482 1.00 50.00 C ATOM 1673 OH TYR A 115 0.052 -6.820 14.174 1.00 50.00 O ATOM 0 H TYR A 115 -3.107 -11.058 17.784 1.00 10.00 H new ATOM 0 HA TYR A 115 -1.933 -13.506 16.481 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.543 -12.365 14.563 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.623 -11.509 15.646 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -1.669 -9.796 17.162 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.926 -10.746 12.980 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.530 -7.668 16.608 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -0.785 -8.614 12.427 1.00 50.00 H new ATOM 0 HH TYR A 115 0.227 -6.319 14.998 1.00 50.00 H new ATOM 1683 N ASN A 116 0.419 -12.745 16.128 1.00 10.00 N ATOM 1684 CA ASN A 116 1.902 -12.539 16.246 1.00 10.00 C ATOM 1685 C ASN A 116 2.446 -13.310 17.441 1.00 10.00 C ATOM 1686 O ASN A 116 2.907 -12.726 18.390 1.00 10.00 O ATOM 1687 CB ASN A 116 2.164 -11.041 16.436 1.00 10.00 C ATOM 1688 CG ASN A 116 1.574 -10.260 15.262 1.00 10.00 C ATOM 1689 OD1 ASN A 116 0.703 -10.748 14.571 1.00 10.00 O ATOM 1690 ND2 ASN A 116 2.024 -9.063 14.999 1.00 10.00 N ATOM 0 H ASN A 116 0.153 -13.455 15.446 1.00 10.00 H new ATOM 0 HA ASN A 116 2.400 -12.901 15.346 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.720 -10.700 17.371 1.00 10.00 H new ATOM 0 HB3 ASN A 116 3.236 -10.856 16.506 1.00 10.00 H new ATOM 0 HD21 ASN A 116 1.644 -8.537 14.212 1.00 10.00 H new ATOM 0 HD22 ASN A 116 2.756 -8.654 15.580 1.00 10.00 H new ATOM 1697 N ALA A 117 2.404 -14.615 17.406 1.00 10.00 N ATOM 1698 CA ALA A 117 2.939 -15.401 18.560 1.00 10.00 C ATOM 1699 C ALA A 117 4.453 -15.594 18.426 1.00 10.00 C ATOM 1700 O ALA A 117 5.020 -16.511 18.987 1.00 10.00 O ATOM 1701 CB ALA A 117 2.222 -16.748 18.497 1.00 50.00 C ATOM 0 H ALA A 117 2.027 -15.168 16.637 1.00 10.00 H new ATOM 0 HA ALA A 117 2.769 -14.893 19.509 1.00 10.00 H new ATOM 0 HB1 ALA A 117 2.564 -17.381 19.316 1.00 50.00 H new ATOM 0 HB2 ALA A 117 1.147 -16.592 18.584 1.00 50.00 H new ATOM 0 HB3 ALA A 117 2.443 -17.233 17.546 1.00 50.00 H new ATOM 1732 N HIS A 119 6.718 -13.744 19.677 1.00 50.00 N ATOM 1733 CA HIS A 119 7.346 -13.430 20.993 1.00 50.00 C ATOM 1734 C HIS A 119 7.421 -14.697 21.847 1.00 50.00 C ATOM 1735 O HIS A 119 8.257 -14.819 22.721 1.00 50.00 O ATOM 1736 CB HIS A 119 6.421 -12.399 21.641 1.00 50.00 C ATOM 1737 CG HIS A 119 4.998 -12.857 21.501 1.00 50.00 C ATOM 1738 ND1 HIS A 119 4.442 -13.808 22.342 1.00 50.00 N ATOM 1739 CD2 HIS A 119 4.010 -12.515 20.612 1.00 50.00 C ATOM 1740 CE1 HIS A 119 3.173 -14.007 21.945 1.00 50.00 C ATOM 1741 NE2 HIS A 119 2.857 -13.243 20.894 1.00 50.00 N ATOM 0 HA HIS A 119 8.363 -13.051 20.889 1.00 50.00 H new ATOM 0 HB2 HIS A 119 6.674 -12.276 22.694 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.551 -11.426 21.166 1.00 50.00 H new ATOM 0 HD1 HIS A 119 4.910 -14.272 23.120 1.00 50.00 H new ATOM 0 HD2 HIS A 119 4.111 -11.792 19.816 1.00 50.00 H new ATOM 0 HE1 HIS A 119 2.492 -14.699 22.417 1.00 50.00 H new ATOM 1749 N LEU A 120 6.553 -15.643 21.598 1.00 12.50 N ATOM 1750 CA LEU A 120 6.576 -16.904 22.396 1.00 12.50 C ATOM 1751 C LEU A 120 8.020 -17.364 22.618 1.00 12.50 C ATOM 1752 O LEU A 120 8.754 -17.611 21.681 1.00 12.50 O ATOM 1753 CB LEU A 120 5.815 -17.923 21.548 1.00 12.50 C ATOM 1754 CG LEU A 120 5.762 -19.262 22.285 1.00 12.50 C ATOM 1755 CD1 LEU A 120 5.138 -19.057 23.668 1.00 12.50 C ATOM 1756 CD2 LEU A 120 4.915 -20.253 21.486 1.00 12.50 C ATOM 0 H LEU A 120 5.831 -15.597 20.879 1.00 12.50 H new ATOM 0 HA LEU A 120 6.128 -16.777 23.381 1.00 12.50 H new ATOM 0 HB2 LEU A 120 4.805 -17.565 21.350 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.305 -18.047 20.582 1.00 12.50 H new ATOM 0 HG LEU A 120 6.772 -19.656 22.395 1.00 12.50 H new ATOM 0 HD11 LEU A 120 5.099 -20.011 24.195 1.00 12.50 H new ATOM 0 HD12 LEU A 120 5.742 -18.351 24.239 1.00 12.50 H new ATOM 0 HD13 LEU A 120 4.128 -18.663 23.557 1.00 12.50 H new ATOM 0 HD21 LEU A 120 4.878 -21.207 22.012 1.00 12.50 H new ATOM 0 HD22 LEU A 120 3.904 -19.861 21.374 1.00 12.50 H new ATOM 0 HD23 LEU A 120 5.358 -20.399 20.501 1.00 12.50 H new