USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 821 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 16 HIS : no HD1:sc= 0 X(o=0.099,f=0.099) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.0987 X(o=0.099,f=-0.11) USER MOD Single : A 1 THR OG1 : rot -11:sc= -0.463 USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 4 HIS : no HD1:sc= -0.604 K(o=-0.6,f=0.15) USER MOD Single : A 5 GLN : amide:sc= -0.603 K(o=-0.6,f=-4.2!) USER MOD Single : A 7 MET CE :methyl -153:sc= 0 (180deg=-0.125) USER MOD Single : A 9 GLN : amide:sc= -0.725 K(o=-0.73,f=-0.15) USER MOD Single : A -4 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0709 X(o=-0.071,f=-0.088) USER MOD Single : A 20 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.22) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0.869) USER MOD Single : A 36 SER OG : rot -137:sc= 0.816 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.179 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 74:sc= 0.126 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 1.22 K(o=1.2,f=-0.03) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 121:sc= 0.647 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 72 SER OG : rot 180:sc= -0.349 USER MOD Single : A 75 THR OG1 : rot -61:sc= 0.971 USER MOD Single : A 83 TYR OH : rot -94:sc= -1.73! USER MOD Single : A 85 GLN : amide:sc= 0.315 X(o=0.31,f=-0.11) USER MOD Single : A 86 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.37) USER MOD Single : A 92 SER OG : rot 38:sc= 0.248 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 1.675 -26.085 -9.177 1.00 5.43 N ATOM 2 CA GLY A -4 2.643 -25.267 -9.942 1.00 4.83 C ATOM 3 C GLY A -4 3.246 -24.164 -9.097 1.00 4.18 C ATOM 4 O GLY A -4 4.156 -24.410 -8.301 1.00 4.27 O ATOM 0 H1 GLY A -4 1.286 -26.828 -9.792 1.00 5.43 H new ATOM 0 H2 GLY A -4 2.156 -26.524 -8.366 1.00 5.43 H new ATOM 0 H3 GLY A -4 0.902 -25.479 -8.835 1.00 5.43 H new ATOM 0 HA2 GLY A -4 3.438 -25.908 -10.323 1.00 4.83 H new ATOM 0 HA3 GLY A -4 2.144 -24.830 -10.807 1.00 4.83 H new ATOM 8 N ILE A -3 2.738 -22.950 -9.262 1.00 3.81 N ATOM 9 CA ILE A -3 3.231 -21.808 -8.506 1.00 3.35 C ATOM 10 C ILE A -3 2.844 -21.916 -7.035 1.00 2.96 C ATOM 11 O ILE A -3 1.691 -22.203 -6.696 1.00 3.17 O ATOM 12 CB ILE A -3 2.717 -20.469 -9.080 1.00 3.71 C ATOM 13 CG1 ILE A -3 1.187 -20.464 -9.176 1.00 4.15 C ATOM 14 CG2 ILE A -3 3.341 -20.208 -10.443 1.00 4.12 C ATOM 15 CD1 ILE A -3 0.612 -19.143 -9.640 1.00 4.76 C ATOM 0 H ILE A -3 1.984 -22.731 -9.913 1.00 3.81 H new ATOM 0 HA ILE A -3 4.317 -21.821 -8.593 1.00 3.35 H new ATOM 0 HB ILE A -3 3.012 -19.669 -8.401 1.00 3.71 H new ATOM 0 HG12 ILE A -3 0.872 -21.249 -9.864 1.00 4.15 H new ATOM 0 HG13 ILE A -3 0.769 -20.709 -8.199 1.00 4.15 H new ATOM 0 HG21 ILE A -3 2.971 -19.262 -10.837 1.00 4.12 H new ATOM 0 HG22 ILE A -3 4.425 -20.161 -10.344 1.00 4.12 H new ATOM 0 HG23 ILE A -3 3.074 -21.015 -11.126 1.00 4.12 H new ATOM 0 HD11 ILE A -3 -0.475 -19.215 -9.684 1.00 4.76 H new ATOM 0 HD12 ILE A -3 0.896 -18.357 -8.940 1.00 4.76 H new ATOM 0 HD13 ILE A -3 1.000 -18.905 -10.630 1.00 4.76 H new ATOM 27 N ASP A -2 3.815 -21.702 -6.164 1.00 2.59 N ATOM 28 CA ASP A -2 3.592 -21.781 -4.732 1.00 2.41 C ATOM 29 C ASP A -2 2.894 -20.521 -4.243 1.00 2.20 C ATOM 30 O ASP A -2 3.290 -19.409 -4.590 1.00 2.05 O ATOM 31 CB ASP A -2 4.923 -21.947 -3.993 1.00 2.39 C ATOM 32 CG ASP A -2 5.659 -23.214 -4.374 1.00 2.94 C ATOM 33 OD1 ASP A -2 6.650 -23.128 -5.128 1.00 3.18 O ATOM 34 OD2 ASP A -2 5.250 -24.303 -3.928 1.00 3.49 O ATOM 0 H ASP A -2 4.773 -21.470 -6.427 1.00 2.59 H new ATOM 0 HA ASP A -2 2.962 -22.647 -4.528 1.00 2.41 H new ATOM 0 HB2 ASP A -2 5.559 -21.087 -4.204 1.00 2.39 H new ATOM 0 HB3 ASP A -2 4.738 -21.950 -2.919 1.00 2.39 H new ATOM 39 N PRO A -1 1.835 -20.676 -3.432 1.00 2.29 N ATOM 40 CA PRO A -1 1.124 -19.541 -2.837 1.00 2.22 C ATOM 41 C PRO A -1 2.050 -18.699 -1.968 1.00 2.13 C ATOM 42 O PRO A -1 1.809 -17.514 -1.752 1.00 2.08 O ATOM 43 CB PRO A -1 0.037 -20.193 -1.979 1.00 2.52 C ATOM 44 CG PRO A -1 -0.118 -21.569 -2.526 1.00 2.79 C ATOM 45 CD PRO A -1 1.235 -21.964 -3.044 1.00 2.58 C ATOM 0 HA PRO A -1 0.725 -18.865 -3.593 1.00 2.22 H new ATOM 0 HB2 PRO A -1 0.326 -20.217 -0.928 1.00 2.52 H new ATOM 0 HB3 PRO A -1 -0.899 -19.637 -2.039 1.00 2.52 H new ATOM 0 HG2 PRO A -1 -0.457 -22.260 -1.754 1.00 2.79 H new ATOM 0 HG3 PRO A -1 -0.862 -21.591 -3.322 1.00 2.79 H new ATOM 0 HD2 PRO A -1 1.826 -22.470 -2.281 1.00 2.58 H new ATOM 0 HD3 PRO A -1 1.159 -22.645 -3.892 1.00 2.58 H new ATOM 53 N PHE A 0 3.113 -19.330 -1.484 1.00 2.17 N ATOM 54 CA PHE A 0 4.102 -18.658 -0.656 1.00 2.18 C ATOM 55 C PHE A 0 4.994 -17.761 -1.504 1.00 1.96 C ATOM 56 O PHE A 0 5.186 -16.587 -1.185 1.00 1.91 O ATOM 57 CB PHE A 0 4.951 -19.683 0.097 1.00 2.38 C ATOM 58 CG PHE A 0 4.162 -20.522 1.064 1.00 2.96 C ATOM 59 CD1 PHE A 0 4.051 -20.147 2.392 1.00 3.20 C ATOM 60 CD2 PHE A 0 3.532 -21.681 0.642 1.00 3.61 C ATOM 61 CE1 PHE A 0 3.325 -20.913 3.283 1.00 4.02 C ATOM 62 CE2 PHE A 0 2.806 -22.452 1.528 1.00 4.56 C ATOM 63 CZ PHE A 0 2.702 -22.068 2.850 1.00 4.74 C ATOM 0 H PHE A 0 3.311 -20.316 -1.654 1.00 2.17 H new ATOM 0 HA PHE A 0 3.575 -18.037 0.068 1.00 2.18 H new ATOM 0 HB2 PHE A 0 5.440 -20.338 -0.624 1.00 2.38 H new ATOM 0 HB3 PHE A 0 5.739 -19.161 0.640 1.00 2.38 H new ATOM 0 HD1 PHE A 0 4.537 -19.246 2.735 1.00 3.20 H new ATOM 0 HD2 PHE A 0 3.609 -21.985 -0.391 1.00 3.61 H new ATOM 0 HE1 PHE A 0 3.244 -20.610 4.316 1.00 4.02 H new ATOM 0 HE2 PHE A 0 2.320 -23.354 1.187 1.00 4.56 H new ATOM 0 HZ PHE A 0 2.135 -22.669 3.545 1.00 4.74 H new ATOM 73 N THR A 1 5.520 -18.304 -2.598 1.00 1.91 N ATOM 74 CA THR A 1 6.369 -17.530 -3.489 1.00 1.79 C ATOM 75 C THR A 1 5.565 -16.411 -4.133 1.00 1.62 C ATOM 76 O THR A 1 6.016 -15.270 -4.208 1.00 1.47 O ATOM 77 CB THR A 1 7.008 -18.413 -4.581 1.00 1.96 C ATOM 78 OG1 THR A 1 5.999 -19.166 -5.266 1.00 2.16 O ATOM 79 CG2 THR A 1 8.024 -19.364 -3.977 1.00 2.63 C ATOM 0 H THR A 1 5.373 -19.272 -2.885 1.00 1.91 H new ATOM 0 HA THR A 1 7.175 -17.104 -2.891 1.00 1.79 H new ATOM 0 HB THR A 1 7.514 -17.758 -5.290 1.00 1.96 H new ATOM 0 HG1 THR A 1 5.150 -19.092 -4.782 1.00 2.16 H new ATOM 0 HG21 THR A 1 8.462 -19.977 -4.765 1.00 2.63 H new ATOM 0 HG22 THR A 1 8.809 -18.792 -3.483 1.00 2.63 H new ATOM 0 HG23 THR A 1 7.531 -20.008 -3.248 1.00 2.63 H new ATOM 87 N LEU A 2 4.354 -16.747 -4.561 1.00 1.68 N ATOM 88 CA LEU A 2 3.443 -15.777 -5.152 1.00 1.59 C ATOM 89 C LEU A 2 3.139 -14.651 -4.166 1.00 1.41 C ATOM 90 O LEU A 2 3.016 -13.486 -4.552 1.00 1.32 O ATOM 91 CB LEU A 2 2.146 -16.472 -5.573 1.00 1.75 C ATOM 92 CG LEU A 2 1.127 -15.586 -6.291 1.00 2.06 C ATOM 93 CD1 LEU A 2 1.698 -15.066 -7.599 1.00 2.35 C ATOM 94 CD2 LEU A 2 -0.161 -16.352 -6.538 1.00 2.49 C ATOM 0 H LEU A 2 3.978 -17.694 -4.508 1.00 1.68 H new ATOM 0 HA LEU A 2 3.920 -15.343 -6.031 1.00 1.59 H new ATOM 0 HB2 LEU A 2 2.398 -17.308 -6.225 1.00 1.75 H new ATOM 0 HB3 LEU A 2 1.674 -16.892 -4.684 1.00 1.75 H new ATOM 0 HG LEU A 2 0.903 -14.732 -5.652 1.00 2.06 H new ATOM 0 HD11 LEU A 2 0.958 -14.438 -8.095 1.00 2.35 H new ATOM 0 HD12 LEU A 2 2.595 -14.480 -7.397 1.00 2.35 H new ATOM 0 HD13 LEU A 2 1.952 -15.907 -8.245 1.00 2.35 H new ATOM 0 HD21 LEU A 2 -0.875 -15.707 -7.050 1.00 2.49 H new ATOM 0 HD22 LEU A 2 0.048 -17.225 -7.157 1.00 2.49 H new ATOM 0 HD23 LEU A 2 -0.581 -16.675 -5.585 1.00 2.49 H new ATOM 106 N ASN A 3 3.034 -15.005 -2.889 1.00 1.39 N ATOM 107 CA ASN A 3 2.759 -14.029 -1.841 1.00 1.27 C ATOM 108 C ASN A 3 3.930 -13.063 -1.693 1.00 1.13 C ATOM 109 O ASN A 3 3.745 -11.872 -1.447 1.00 1.04 O ATOM 110 CB ASN A 3 2.494 -14.732 -0.508 1.00 1.35 C ATOM 111 CG ASN A 3 1.972 -13.784 0.554 1.00 1.93 C ATOM 112 OD1 ASN A 3 1.258 -12.826 0.251 1.00 2.67 O ATOM 113 ND2 ASN A 3 2.328 -14.038 1.803 1.00 2.35 N ATOM 0 H ASN A 3 3.136 -15.963 -2.555 1.00 1.39 H new ATOM 0 HA ASN A 3 1.870 -13.466 -2.124 1.00 1.27 H new ATOM 0 HB2 ASN A 3 1.772 -15.534 -0.661 1.00 1.35 H new ATOM 0 HB3 ASN A 3 3.416 -15.195 -0.156 1.00 1.35 H new ATOM 0 HD21 ASN A 3 2.010 -13.430 2.558 1.00 2.35 H new ATOM 0 HD22 ASN A 3 2.920 -14.842 2.011 1.00 2.35 H new ATOM 120 N HIS A 4 5.141 -13.582 -1.854 1.00 1.17 N ATOM 121 CA HIS A 4 6.336 -12.750 -1.792 1.00 1.10 C ATOM 122 C HIS A 4 6.427 -11.863 -3.025 1.00 1.02 C ATOM 123 O HIS A 4 6.768 -10.685 -2.926 1.00 0.91 O ATOM 124 CB HIS A 4 7.602 -13.606 -1.671 1.00 1.25 C ATOM 125 CG HIS A 4 7.854 -14.127 -0.290 1.00 1.70 C ATOM 126 ND1 HIS A 4 8.996 -13.836 0.425 1.00 2.30 N ATOM 127 CD2 HIS A 4 7.115 -14.936 0.503 1.00 2.32 C ATOM 128 CE1 HIS A 4 8.947 -14.446 1.593 1.00 2.94 C ATOM 129 NE2 HIS A 4 7.815 -15.119 1.668 1.00 2.93 N ATOM 0 H HIS A 4 5.321 -14.571 -2.028 1.00 1.17 H new ATOM 0 HA HIS A 4 6.261 -12.123 -0.904 1.00 1.10 H new ATOM 0 HB2 HIS A 4 7.526 -14.449 -2.358 1.00 1.25 H new ATOM 0 HB3 HIS A 4 8.461 -13.014 -1.987 1.00 1.25 H new ATOM 0 HD2 HIS A 4 6.151 -15.360 0.263 1.00 2.32 H new ATOM 0 HE1 HIS A 4 9.706 -14.402 2.360 1.00 2.94 H new ATOM 0 HE2 HIS A 4 7.510 -15.683 2.462 1.00 2.93 H new ATOM 138 N GLN A 5 6.100 -12.434 -4.177 1.00 1.10 N ATOM 139 CA GLN A 5 6.145 -11.714 -5.443 1.00 1.08 C ATOM 140 C GLN A 5 5.219 -10.503 -5.426 1.00 0.94 C ATOM 141 O GLN A 5 5.624 -9.403 -5.801 1.00 0.87 O ATOM 142 CB GLN A 5 5.762 -12.641 -6.597 1.00 1.25 C ATOM 143 CG GLN A 5 6.713 -13.812 -6.772 1.00 1.87 C ATOM 144 CD GLN A 5 6.234 -14.805 -7.809 1.00 2.11 C ATOM 145 OE1 GLN A 5 5.032 -14.976 -8.019 1.00 2.47 O ATOM 146 NE2 GLN A 5 7.167 -15.469 -8.464 1.00 2.67 N ATOM 0 H GLN A 5 5.797 -13.405 -4.260 1.00 1.10 H new ATOM 0 HA GLN A 5 7.167 -11.362 -5.587 1.00 1.08 H new ATOM 0 HB2 GLN A 5 4.755 -13.023 -6.428 1.00 1.25 H new ATOM 0 HB3 GLN A 5 5.733 -12.065 -7.522 1.00 1.25 H new ATOM 0 HG2 GLN A 5 7.695 -13.437 -7.061 1.00 1.87 H new ATOM 0 HG3 GLN A 5 6.835 -14.322 -5.816 1.00 1.87 H new ATOM 0 HE21 GLN A 5 8.152 -15.299 -8.261 1.00 2.67 H new ATOM 0 HE22 GLN A 5 6.903 -16.153 -9.174 1.00 2.67 H new ATOM 155 N VAL A 6 3.982 -10.703 -4.983 1.00 0.96 N ATOM 156 CA VAL A 6 3.002 -9.623 -4.966 1.00 0.91 C ATOM 157 C VAL A 6 3.372 -8.557 -3.932 1.00 0.76 C ATOM 158 O VAL A 6 3.211 -7.364 -4.181 1.00 0.70 O ATOM 159 CB VAL A 6 1.564 -10.144 -4.716 1.00 1.07 C ATOM 160 CG1 VAL A 6 1.424 -10.776 -3.340 1.00 1.30 C ATOM 161 CG2 VAL A 6 0.544 -9.030 -4.903 1.00 1.59 C ATOM 0 H VAL A 6 3.636 -11.596 -4.633 1.00 0.96 H new ATOM 0 HA VAL A 6 3.019 -9.167 -5.956 1.00 0.91 H new ATOM 0 HB VAL A 6 1.367 -10.921 -5.455 1.00 1.07 H new ATOM 0 HG11 VAL A 6 0.402 -11.129 -3.204 1.00 1.30 H new ATOM 0 HG12 VAL A 6 2.112 -11.617 -3.254 1.00 1.30 H new ATOM 0 HG13 VAL A 6 1.658 -10.036 -2.574 1.00 1.30 H new ATOM 0 HG21 VAL A 6 -0.458 -9.420 -4.722 1.00 1.59 H new ATOM 0 HG22 VAL A 6 0.752 -8.224 -4.199 1.00 1.59 H new ATOM 0 HG23 VAL A 6 0.606 -8.647 -5.922 1.00 1.59 H new ATOM 171 N MET A 7 3.899 -8.985 -2.787 1.00 0.75 N ATOM 172 CA MET A 7 4.340 -8.048 -1.758 1.00 0.65 C ATOM 173 C MET A 7 5.535 -7.247 -2.266 1.00 0.59 C ATOM 174 O MET A 7 5.658 -6.048 -2.004 1.00 0.56 O ATOM 175 CB MET A 7 4.707 -8.799 -0.475 1.00 0.70 C ATOM 176 CG MET A 7 5.070 -7.890 0.690 1.00 0.65 C ATOM 177 SD MET A 7 3.712 -6.807 1.179 1.00 0.67 S ATOM 178 CE MET A 7 4.432 -5.984 2.595 1.00 0.64 C ATOM 0 H MET A 7 4.030 -9.968 -2.550 1.00 0.75 H new ATOM 0 HA MET A 7 3.525 -7.361 -1.532 1.00 0.65 H new ATOM 0 HB2 MET A 7 3.868 -9.430 -0.183 1.00 0.70 H new ATOM 0 HB3 MET A 7 5.547 -9.462 -0.681 1.00 0.70 H new ATOM 0 HG2 MET A 7 5.367 -8.500 1.543 1.00 0.65 H new ATOM 0 HG3 MET A 7 5.933 -7.283 0.416 1.00 0.65 H new ATOM 0 HE1 MET A 7 3.640 -5.672 3.276 1.00 0.64 H new ATOM 0 HE2 MET A 7 5.105 -6.669 3.110 1.00 0.64 H new ATOM 0 HE3 MET A 7 4.990 -5.109 2.262 1.00 0.64 H new ATOM 188 N ASP A 8 6.401 -7.922 -3.011 1.00 0.63 N ATOM 189 CA ASP A 8 7.546 -7.284 -3.652 1.00 0.61 C ATOM 190 C ASP A 8 7.077 -6.224 -4.642 1.00 0.54 C ATOM 191 O ASP A 8 7.664 -5.150 -4.742 1.00 0.50 O ATOM 192 CB ASP A 8 8.397 -8.338 -4.366 1.00 0.74 C ATOM 193 CG ASP A 8 9.524 -7.742 -5.186 1.00 0.99 C ATOM 194 OD1 ASP A 8 9.372 -7.631 -6.423 1.00 1.15 O ATOM 195 OD2 ASP A 8 10.576 -7.403 -4.605 1.00 1.36 O ATOM 0 H ASP A 8 6.331 -8.924 -3.188 1.00 0.63 H new ATOM 0 HA ASP A 8 8.152 -6.798 -2.888 1.00 0.61 H new ATOM 0 HB2 ASP A 8 8.816 -9.019 -3.626 1.00 0.74 H new ATOM 0 HB3 ASP A 8 7.756 -8.931 -5.018 1.00 0.74 H new ATOM 200 N GLN A 9 5.996 -6.532 -5.353 1.00 0.57 N ATOM 201 CA GLN A 9 5.406 -5.601 -6.310 1.00 0.54 C ATOM 202 C GLN A 9 4.894 -4.349 -5.606 1.00 0.45 C ATOM 203 O GLN A 9 5.072 -3.235 -6.100 1.00 0.43 O ATOM 204 CB GLN A 9 4.267 -6.279 -7.072 1.00 0.65 C ATOM 205 CG GLN A 9 4.731 -7.401 -7.983 1.00 1.34 C ATOM 206 CD GLN A 9 3.588 -8.264 -8.485 1.00 1.93 C ATOM 207 OE1 GLN A 9 3.769 -9.454 -8.750 1.00 2.45 O ATOM 208 NE2 GLN A 9 2.409 -7.679 -8.619 1.00 2.62 N ATOM 0 H GLN A 9 5.508 -7.425 -5.283 1.00 0.57 H new ATOM 0 HA GLN A 9 6.180 -5.303 -7.018 1.00 0.54 H new ATOM 0 HB2 GLN A 9 3.548 -6.677 -6.356 1.00 0.65 H new ATOM 0 HB3 GLN A 9 3.743 -5.531 -7.668 1.00 0.65 H new ATOM 0 HG2 GLN A 9 5.260 -6.975 -8.836 1.00 1.34 H new ATOM 0 HG3 GLN A 9 5.444 -8.027 -7.446 1.00 1.34 H new ATOM 0 HE21 GLN A 9 2.301 -6.691 -8.389 1.00 2.62 H new ATOM 0 HE22 GLN A 9 1.608 -8.216 -8.952 1.00 2.62 H new ATOM 217 N VAL A 10 4.264 -4.534 -4.450 1.00 0.46 N ATOM 218 CA VAL A 10 3.772 -3.410 -3.664 1.00 0.44 C ATOM 219 C VAL A 10 4.942 -2.568 -3.157 1.00 0.37 C ATOM 220 O VAL A 10 4.897 -1.337 -3.191 1.00 0.39 O ATOM 221 CB VAL A 10 2.913 -3.880 -2.468 1.00 0.52 C ATOM 222 CG1 VAL A 10 2.359 -2.688 -1.701 1.00 1.25 C ATOM 223 CG2 VAL A 10 1.780 -4.780 -2.942 1.00 1.39 C ATOM 0 H VAL A 10 4.083 -5.450 -4.038 1.00 0.46 H new ATOM 0 HA VAL A 10 3.141 -2.806 -4.316 1.00 0.44 H new ATOM 0 HB VAL A 10 3.552 -4.454 -1.796 1.00 0.52 H new ATOM 0 HG11 VAL A 10 1.758 -3.042 -0.864 1.00 1.25 H new ATOM 0 HG12 VAL A 10 3.183 -2.082 -1.325 1.00 1.25 H new ATOM 0 HG13 VAL A 10 1.739 -2.085 -2.364 1.00 1.25 H new ATOM 0 HG21 VAL A 10 1.187 -5.100 -2.085 1.00 1.39 H new ATOM 0 HG22 VAL A 10 1.146 -4.231 -3.637 1.00 1.39 H new ATOM 0 HG23 VAL A 10 2.195 -5.654 -3.443 1.00 1.39 H new ATOM 233 N PHE A 11 5.995 -3.243 -2.706 1.00 0.35 N ATOM 234 CA PHE A 11 7.207 -2.564 -2.265 1.00 0.35 C ATOM 235 C PHE A 11 7.841 -1.799 -3.422 1.00 0.31 C ATOM 236 O PHE A 11 8.258 -0.656 -3.263 1.00 0.33 O ATOM 237 CB PHE A 11 8.210 -3.564 -1.682 1.00 0.41 C ATOM 238 CG PHE A 11 9.536 -2.940 -1.344 1.00 0.45 C ATOM 239 CD1 PHE A 11 9.638 -2.007 -0.326 1.00 0.56 C ATOM 240 CD2 PHE A 11 10.679 -3.284 -2.050 1.00 0.48 C ATOM 241 CE1 PHE A 11 10.851 -1.425 -0.021 1.00 0.65 C ATOM 242 CE2 PHE A 11 11.895 -2.705 -1.747 1.00 0.56 C ATOM 243 CZ PHE A 11 11.982 -1.775 -0.731 1.00 0.64 C ATOM 0 H PHE A 11 6.033 -4.260 -2.637 1.00 0.35 H new ATOM 0 HA PHE A 11 6.933 -1.855 -1.484 1.00 0.35 H new ATOM 0 HB2 PHE A 11 7.786 -4.012 -0.783 1.00 0.41 H new ATOM 0 HB3 PHE A 11 8.367 -4.371 -2.397 1.00 0.41 H new ATOM 0 HD1 PHE A 11 8.758 -1.732 0.236 1.00 0.56 H new ATOM 0 HD2 PHE A 11 10.617 -4.012 -2.845 1.00 0.48 H new ATOM 0 HE1 PHE A 11 10.916 -0.696 0.773 1.00 0.65 H new ATOM 0 HE2 PHE A 11 12.778 -2.980 -2.305 1.00 0.56 H new ATOM 0 HZ PHE A 11 12.933 -1.322 -0.492 1.00 0.64 H new ATOM 253 N ASP A 12 7.907 -2.439 -4.582 1.00 0.31 N ATOM 254 CA ASP A 12 8.427 -1.800 -5.786 1.00 0.31 C ATOM 255 C ASP A 12 7.663 -0.518 -6.091 1.00 0.29 C ATOM 256 O ASP A 12 8.255 0.505 -6.446 1.00 0.31 O ATOM 257 CB ASP A 12 8.332 -2.755 -6.979 1.00 0.38 C ATOM 258 CG ASP A 12 8.645 -2.071 -8.294 1.00 0.45 C ATOM 259 OD1 ASP A 12 7.697 -1.768 -9.052 1.00 0.53 O ATOM 260 OD2 ASP A 12 9.840 -1.837 -8.577 1.00 0.55 O ATOM 0 H ASP A 12 7.606 -3.404 -4.716 1.00 0.31 H new ATOM 0 HA ASP A 12 9.473 -1.550 -5.611 1.00 0.31 H new ATOM 0 HB2 ASP A 12 9.022 -3.586 -6.832 1.00 0.38 H new ATOM 0 HB3 ASP A 12 7.329 -3.178 -7.023 1.00 0.38 H new ATOM 265 N GLN A 13 6.346 -0.580 -5.937 1.00 0.30 N ATOM 266 CA GLN A 13 5.488 0.571 -6.176 1.00 0.34 C ATOM 267 C GLN A 13 5.842 1.717 -5.228 1.00 0.34 C ATOM 268 O GLN A 13 6.177 2.817 -5.670 1.00 0.38 O ATOM 269 CB GLN A 13 4.018 0.178 -6.005 1.00 0.44 C ATOM 270 CG GLN A 13 3.040 1.310 -6.285 1.00 0.55 C ATOM 271 CD GLN A 13 3.133 1.825 -7.708 1.00 0.67 C ATOM 272 OE1 GLN A 13 3.892 2.748 -8.001 1.00 1.37 O ATOM 273 NE2 GLN A 13 2.364 1.229 -8.603 1.00 1.30 N ATOM 0 H GLN A 13 5.848 -1.421 -5.646 1.00 0.30 H new ATOM 0 HA GLN A 13 5.647 0.911 -7.199 1.00 0.34 H new ATOM 0 HB2 GLN A 13 3.795 -0.655 -6.672 1.00 0.44 H new ATOM 0 HB3 GLN A 13 3.864 -0.179 -4.987 1.00 0.44 H new ATOM 0 HG2 GLN A 13 2.025 0.963 -6.094 1.00 0.55 H new ATOM 0 HG3 GLN A 13 3.232 2.130 -5.593 1.00 0.55 H new ATOM 0 HE21 GLN A 13 1.748 0.467 -8.320 1.00 1.30 H new ATOM 0 HE22 GLN A 13 2.387 1.531 -9.577 1.00 1.30 H new ATOM 282 N VAL A 14 5.796 1.443 -3.927 1.00 0.34 N ATOM 283 CA VAL A 14 6.055 2.473 -2.926 1.00 0.38 C ATOM 284 C VAL A 14 7.494 2.980 -3.012 1.00 0.37 C ATOM 285 O VAL A 14 7.741 4.167 -2.822 1.00 0.42 O ATOM 286 CB VAL A 14 5.742 1.988 -1.489 1.00 0.44 C ATOM 287 CG1 VAL A 14 4.259 1.691 -1.336 1.00 1.08 C ATOM 288 CG2 VAL A 14 6.568 0.767 -1.120 1.00 0.99 C ATOM 0 H VAL A 14 5.583 0.522 -3.543 1.00 0.34 H new ATOM 0 HA VAL A 14 5.379 3.299 -3.149 1.00 0.38 H new ATOM 0 HB VAL A 14 6.011 2.792 -0.804 1.00 0.44 H new ATOM 0 HG11 VAL A 14 4.059 1.352 -0.320 1.00 1.08 H new ATOM 0 HG12 VAL A 14 3.684 2.595 -1.536 1.00 1.08 H new ATOM 0 HG13 VAL A 14 3.969 0.913 -2.042 1.00 1.08 H new ATOM 0 HG21 VAL A 14 6.322 0.455 -0.105 1.00 0.99 H new ATOM 0 HG22 VAL A 14 6.347 -0.045 -1.813 1.00 0.99 H new ATOM 0 HG23 VAL A 14 7.628 1.014 -1.177 1.00 0.99 H new ATOM 298 N GLU A 15 8.431 2.084 -3.324 1.00 0.35 N ATOM 299 CA GLU A 15 9.833 2.457 -3.499 1.00 0.40 C ATOM 300 C GLU A 15 9.968 3.568 -4.531 1.00 0.40 C ATOM 301 O GLU A 15 10.615 4.589 -4.288 1.00 0.45 O ATOM 302 CB GLU A 15 10.655 1.248 -3.954 1.00 0.42 C ATOM 303 CG GLU A 15 12.081 1.599 -4.349 1.00 0.57 C ATOM 304 CD GLU A 15 12.778 0.472 -5.074 1.00 0.68 C ATOM 305 OE1 GLU A 15 12.434 0.210 -6.247 1.00 1.09 O ATOM 306 OE2 GLU A 15 13.686 -0.150 -4.483 1.00 0.77 O ATOM 0 H GLU A 15 8.242 1.091 -3.461 1.00 0.35 H new ATOM 0 HA GLU A 15 10.208 2.811 -2.539 1.00 0.40 H new ATOM 0 HB2 GLU A 15 10.680 0.512 -3.150 1.00 0.42 H new ATOM 0 HB3 GLU A 15 10.157 0.778 -4.802 1.00 0.42 H new ATOM 0 HG2 GLU A 15 12.070 2.484 -4.986 1.00 0.57 H new ATOM 0 HG3 GLU A 15 12.649 1.857 -3.455 1.00 0.57 H new ATOM 313 N HIS A 16 9.338 3.358 -5.679 1.00 0.37 N ATOM 314 CA HIS A 16 9.396 4.312 -6.774 1.00 0.42 C ATOM 315 C HIS A 16 8.772 5.640 -6.364 1.00 0.41 C ATOM 316 O HIS A 16 9.295 6.703 -6.692 1.00 0.45 O ATOM 317 CB HIS A 16 8.683 3.744 -8.004 1.00 0.49 C ATOM 318 CG HIS A 16 8.810 4.600 -9.225 1.00 0.95 C ATOM 319 ND1 HIS A 16 9.915 4.577 -10.048 1.00 1.72 N ATOM 320 CD2 HIS A 16 7.961 5.507 -9.764 1.00 1.53 C ATOM 321 CE1 HIS A 16 9.741 5.433 -11.036 1.00 2.01 C ATOM 322 NE2 HIS A 16 8.563 6.010 -10.889 1.00 1.84 N ATOM 0 H HIS A 16 8.777 2.529 -5.875 1.00 0.37 H new ATOM 0 HA HIS A 16 10.442 4.490 -7.024 1.00 0.42 H new ATOM 0 HB2 HIS A 16 9.086 2.755 -8.222 1.00 0.49 H new ATOM 0 HB3 HIS A 16 7.626 3.613 -7.772 1.00 0.49 H new ATOM 0 HD2 HIS A 16 6.990 5.783 -9.379 1.00 1.53 H new ATOM 0 HE1 HIS A 16 10.444 5.629 -11.832 1.00 2.01 H new ATOM 0 HE2 HIS A 16 8.166 6.715 -11.510 1.00 1.84 H new ATOM 331 N GLN A 17 7.662 5.574 -5.640 1.00 0.38 N ATOM 332 CA GLN A 17 6.971 6.777 -5.197 1.00 0.40 C ATOM 333 C GLN A 17 7.833 7.551 -4.201 1.00 0.38 C ATOM 334 O GLN A 17 7.917 8.778 -4.266 1.00 0.43 O ATOM 335 CB GLN A 17 5.617 6.427 -4.573 1.00 0.45 C ATOM 336 CG GLN A 17 4.708 5.618 -5.491 1.00 0.70 C ATOM 337 CD GLN A 17 4.461 6.293 -6.828 1.00 0.71 C ATOM 338 OE1 GLN A 17 5.213 6.097 -7.783 1.00 1.54 O ATOM 339 NE2 GLN A 17 3.397 7.074 -6.914 1.00 1.12 N ATOM 0 H GLN A 17 7.222 4.701 -5.348 1.00 0.38 H new ATOM 0 HA GLN A 17 6.793 7.409 -6.067 1.00 0.40 H new ATOM 0 HB2 GLN A 17 5.785 5.864 -3.655 1.00 0.45 H new ATOM 0 HB3 GLN A 17 5.107 7.349 -4.293 1.00 0.45 H new ATOM 0 HG2 GLN A 17 5.153 4.638 -5.662 1.00 0.70 H new ATOM 0 HG3 GLN A 17 3.753 5.452 -4.993 1.00 0.70 H new ATOM 0 HE21 GLN A 17 2.798 7.211 -6.100 1.00 1.12 H new ATOM 0 HE22 GLN A 17 3.175 7.539 -7.794 1.00 1.12 H new ATOM 348 N ILE A 18 8.486 6.827 -3.295 1.00 0.35 N ATOM 349 CA ILE A 18 9.385 7.438 -2.321 1.00 0.37 C ATOM 350 C ILE A 18 10.531 8.155 -3.030 1.00 0.39 C ATOM 351 O ILE A 18 10.877 9.288 -2.687 1.00 0.42 O ATOM 352 CB ILE A 18 9.961 6.389 -1.340 1.00 0.38 C ATOM 353 CG1 ILE A 18 8.836 5.759 -0.515 1.00 0.41 C ATOM 354 CG2 ILE A 18 11.001 7.020 -0.421 1.00 0.44 C ATOM 355 CD1 ILE A 18 9.290 4.620 0.372 1.00 0.45 C ATOM 0 H ILE A 18 8.408 5.813 -3.216 1.00 0.35 H new ATOM 0 HA ILE A 18 8.802 8.159 -1.748 1.00 0.37 H new ATOM 0 HB ILE A 18 10.449 5.608 -1.923 1.00 0.38 H new ATOM 0 HG12 ILE A 18 8.378 6.530 0.105 1.00 0.41 H new ATOM 0 HG13 ILE A 18 8.063 5.394 -1.192 1.00 0.41 H new ATOM 0 HG21 ILE A 18 11.392 6.264 0.260 1.00 0.44 H new ATOM 0 HG22 ILE A 18 11.817 7.426 -1.019 1.00 0.44 H new ATOM 0 HG23 ILE A 18 10.539 7.822 0.155 1.00 0.44 H new ATOM 0 HD11 ILE A 18 8.437 4.226 0.924 1.00 0.45 H new ATOM 0 HD12 ILE A 18 9.720 3.829 -0.243 1.00 0.45 H new ATOM 0 HD13 ILE A 18 10.040 4.983 1.074 1.00 0.45 H new ATOM 367 N ALA A 19 11.095 7.495 -4.036 1.00 0.40 N ATOM 368 CA ALA A 19 12.186 8.065 -4.818 1.00 0.45 C ATOM 369 C ALA A 19 11.764 9.375 -5.481 1.00 0.47 C ATOM 370 O ALA A 19 12.555 10.316 -5.582 1.00 0.51 O ATOM 371 CB ALA A 19 12.657 7.069 -5.867 1.00 0.50 C ATOM 0 H ALA A 19 10.813 6.560 -4.330 1.00 0.40 H new ATOM 0 HA ALA A 19 13.011 8.282 -4.140 1.00 0.45 H new ATOM 0 HB1 ALA A 19 13.472 7.506 -6.444 1.00 0.50 H new ATOM 0 HB2 ALA A 19 13.007 6.161 -5.376 1.00 0.50 H new ATOM 0 HB3 ALA A 19 11.830 6.825 -6.534 1.00 0.50 H new ATOM 377 N GLN A 20 10.511 9.434 -5.918 1.00 0.46 N ATOM 378 CA GLN A 20 9.987 10.629 -6.567 1.00 0.51 C ATOM 379 C GLN A 20 9.827 11.760 -5.558 1.00 0.50 C ATOM 380 O GLN A 20 10.103 12.919 -5.868 1.00 0.55 O ATOM 381 CB GLN A 20 8.645 10.343 -7.250 1.00 0.59 C ATOM 382 CG GLN A 20 8.716 9.250 -8.304 1.00 1.19 C ATOM 383 CD GLN A 20 9.805 9.495 -9.330 1.00 1.65 C ATOM 384 OE1 GLN A 20 10.944 9.062 -9.157 1.00 2.35 O ATOM 385 NE2 GLN A 20 9.466 10.190 -10.402 1.00 2.26 N ATOM 0 H GLN A 20 9.841 8.670 -5.835 1.00 0.46 H new ATOM 0 HA GLN A 20 10.703 10.934 -7.330 1.00 0.51 H new ATOM 0 HB2 GLN A 20 7.915 10.058 -6.492 1.00 0.59 H new ATOM 0 HB3 GLN A 20 8.281 11.260 -7.714 1.00 0.59 H new ATOM 0 HG2 GLN A 20 8.892 8.291 -7.816 1.00 1.19 H new ATOM 0 HG3 GLN A 20 7.754 9.178 -8.812 1.00 1.19 H new ATOM 0 HE21 GLN A 20 8.511 10.531 -10.507 1.00 2.26 H new ATOM 0 HE22 GLN A 20 10.160 10.385 -11.124 1.00 2.26 H new ATOM 394 N VAL A 21 9.394 11.415 -4.352 1.00 0.48 N ATOM 395 CA VAL A 21 9.225 12.401 -3.292 1.00 0.54 C ATOM 396 C VAL A 21 10.578 12.946 -2.848 1.00 0.57 C ATOM 397 O VAL A 21 10.766 14.158 -2.758 1.00 0.66 O ATOM 398 CB VAL A 21 8.475 11.812 -2.076 1.00 0.60 C ATOM 399 CG1 VAL A 21 8.359 12.838 -0.954 1.00 0.69 C ATOM 400 CG2 VAL A 21 7.096 11.318 -2.488 1.00 0.63 C ATOM 0 H VAL A 21 9.154 10.461 -4.084 1.00 0.48 H new ATOM 0 HA VAL A 21 8.624 13.214 -3.699 1.00 0.54 H new ATOM 0 HB VAL A 21 9.052 10.966 -1.703 1.00 0.60 H new ATOM 0 HG11 VAL A 21 7.827 12.397 -0.111 1.00 0.69 H new ATOM 0 HG12 VAL A 21 9.356 13.142 -0.635 1.00 0.69 H new ATOM 0 HG13 VAL A 21 7.811 13.709 -1.313 1.00 0.69 H new ATOM 0 HG21 VAL A 21 6.582 10.907 -1.619 1.00 0.63 H new ATOM 0 HG22 VAL A 21 6.517 12.149 -2.892 1.00 0.63 H new ATOM 0 HG23 VAL A 21 7.199 10.544 -3.249 1.00 0.63 H new ATOM 410 N LEU A 22 11.526 12.046 -2.599 1.00 0.54 N ATOM 411 CA LEU A 22 12.873 12.441 -2.186 1.00 0.61 C ATOM 412 C LEU A 22 13.506 13.357 -3.225 1.00 0.61 C ATOM 413 O LEU A 22 14.125 14.369 -2.883 1.00 0.68 O ATOM 414 CB LEU A 22 13.757 11.209 -1.972 1.00 0.66 C ATOM 415 CG LEU A 22 13.336 10.287 -0.825 1.00 0.84 C ATOM 416 CD1 LEU A 22 14.267 9.090 -0.740 1.00 1.67 C ATOM 417 CD2 LEU A 22 13.323 11.046 0.495 1.00 1.08 C ATOM 0 H LEU A 22 11.388 11.038 -2.676 1.00 0.54 H new ATOM 0 HA LEU A 22 12.790 12.982 -1.243 1.00 0.61 H new ATOM 0 HB2 LEU A 22 13.771 10.629 -2.895 1.00 0.66 H new ATOM 0 HB3 LEU A 22 14.778 11.543 -1.790 1.00 0.66 H new ATOM 0 HG LEU A 22 12.326 9.928 -1.024 1.00 0.84 H new ATOM 0 HD11 LEU A 22 13.955 8.444 0.080 1.00 1.67 H new ATOM 0 HD12 LEU A 22 14.229 8.532 -1.676 1.00 1.67 H new ATOM 0 HD13 LEU A 22 15.286 9.434 -0.563 1.00 1.67 H new ATOM 0 HD21 LEU A 22 13.021 10.374 1.298 1.00 1.08 H new ATOM 0 HD22 LEU A 22 14.321 11.434 0.702 1.00 1.08 H new ATOM 0 HD23 LEU A 22 12.618 11.875 0.431 1.00 1.08 H new ATOM 429 N GLY A 23 13.333 13.004 -4.493 1.00 0.61 N ATOM 430 CA GLY A 23 13.854 13.814 -5.572 1.00 0.73 C ATOM 431 C GLY A 23 13.179 15.168 -5.649 1.00 0.81 C ATOM 432 O GLY A 23 13.846 16.190 -5.794 1.00 0.94 O ATOM 0 H GLY A 23 12.837 12.164 -4.792 1.00 0.61 H new ATOM 0 HA2 GLY A 23 14.927 13.952 -5.435 1.00 0.73 H new ATOM 0 HA3 GLY A 23 13.718 13.288 -6.517 1.00 0.73 H new ATOM 436 N ALA A 24 11.856 15.175 -5.527 1.00 0.80 N ATOM 437 CA ALA A 24 11.080 16.409 -5.590 1.00 0.96 C ATOM 438 C ALA A 24 11.418 17.334 -4.426 1.00 1.01 C ATOM 439 O ALA A 24 11.437 18.557 -4.576 1.00 1.19 O ATOM 440 CB ALA A 24 9.592 16.098 -5.601 1.00 1.00 C ATOM 0 H ALA A 24 11.296 14.335 -5.383 1.00 0.80 H new ATOM 0 HA ALA A 24 11.341 16.923 -6.515 1.00 0.96 H new ATOM 0 HB1 ALA A 24 9.026 17.028 -5.648 1.00 1.00 H new ATOM 0 HB2 ALA A 24 9.355 15.485 -6.470 1.00 1.00 H new ATOM 0 HB3 ALA A 24 9.327 15.558 -4.692 1.00 1.00 H new ATOM 446 N LYS A 25 11.681 16.744 -3.268 1.00 0.92 N ATOM 447 CA LYS A 25 12.064 17.509 -2.090 1.00 1.04 C ATOM 448 C LYS A 25 13.475 18.061 -2.234 1.00 1.06 C ATOM 449 O LYS A 25 13.788 19.139 -1.726 1.00 1.18 O ATOM 450 CB LYS A 25 11.987 16.641 -0.831 1.00 1.07 C ATOM 451 CG LYS A 25 10.572 16.261 -0.417 1.00 1.46 C ATOM 452 CD LYS A 25 9.773 17.467 0.060 1.00 1.98 C ATOM 453 CE LYS A 25 10.417 18.135 1.267 1.00 2.56 C ATOM 454 NZ LYS A 25 10.619 17.185 2.394 1.00 3.21 N ATOM 0 H LYS A 25 11.636 15.736 -3.119 1.00 0.92 H new ATOM 0 HA LYS A 25 11.365 18.340 -1.997 1.00 1.04 H new ATOM 0 HB2 LYS A 25 12.562 15.730 -0.997 1.00 1.07 H new ATOM 0 HB3 LYS A 25 12.463 17.173 -0.007 1.00 1.07 H new ATOM 0 HG2 LYS A 25 10.060 15.797 -1.260 1.00 1.46 H new ATOM 0 HG3 LYS A 25 10.615 15.517 0.378 1.00 1.46 H new ATOM 0 HD2 LYS A 25 9.687 18.189 -0.752 1.00 1.98 H new ATOM 0 HD3 LYS A 25 8.761 17.153 0.316 1.00 1.98 H new ATOM 0 HE2 LYS A 25 11.378 18.560 0.976 1.00 2.56 H new ATOM 0 HE3 LYS A 25 9.790 18.963 1.600 1.00 2.56 H new ATOM 0 HZ1 LYS A 25 10.546 17.697 3.297 1.00 3.21 H new ATOM 0 HZ2 LYS A 25 9.892 16.443 2.357 1.00 3.21 H new ATOM 0 HZ3 LYS A 25 11.561 16.751 2.317 1.00 3.21 H new ATOM 468 N GLY A 26 14.318 17.316 -2.937 1.00 1.00 N ATOM 469 CA GLY A 26 15.708 17.697 -3.082 1.00 1.09 C ATOM 470 C GLY A 26 16.529 17.245 -1.896 1.00 1.08 C ATOM 471 O GLY A 26 17.658 17.698 -1.694 1.00 1.22 O ATOM 0 H GLY A 26 14.061 16.450 -3.411 1.00 1.00 H new ATOM 0 HA2 GLY A 26 16.113 17.261 -3.995 1.00 1.09 H new ATOM 0 HA3 GLY A 26 15.781 18.780 -3.186 1.00 1.09 H new ATOM 475 N GLY A 27 15.959 16.336 -1.115 1.00 0.99 N ATOM 476 CA GLY A 27 16.602 15.885 0.101 1.00 1.09 C ATOM 477 C GLY A 27 17.564 14.740 -0.140 1.00 1.07 C ATOM 478 O GLY A 27 17.718 14.291 -1.277 1.00 1.10 O ATOM 0 H GLY A 27 15.056 15.901 -1.305 1.00 0.99 H new ATOM 0 HA2 GLY A 27 17.140 16.718 0.554 1.00 1.09 H new ATOM 0 HA3 GLY A 27 15.841 15.571 0.815 1.00 1.09 H new ATOM 482 N PRO A 28 18.227 14.253 0.919 1.00 1.17 N ATOM 483 CA PRO A 28 19.199 13.158 0.819 1.00 1.26 C ATOM 484 C PRO A 28 18.599 11.897 0.207 1.00 1.05 C ATOM 485 O PRO A 28 17.642 11.324 0.741 1.00 0.97 O ATOM 486 CB PRO A 28 19.601 12.899 2.275 1.00 1.49 C ATOM 487 CG PRO A 28 19.299 14.172 2.984 1.00 1.64 C ATOM 488 CD PRO A 28 18.087 14.737 2.303 1.00 1.36 C ATOM 0 HA PRO A 28 20.034 13.421 0.170 1.00 1.26 H new ATOM 0 HB2 PRO A 28 19.039 12.067 2.699 1.00 1.49 H new ATOM 0 HB3 PRO A 28 20.658 12.643 2.354 1.00 1.49 H new ATOM 0 HG2 PRO A 28 19.107 13.995 4.042 1.00 1.64 H new ATOM 0 HG3 PRO A 28 20.140 14.863 2.924 1.00 1.64 H new ATOM 0 HD2 PRO A 28 17.164 14.383 2.763 1.00 1.36 H new ATOM 0 HD3 PRO A 28 18.069 15.826 2.350 1.00 1.36 H new ATOM 496 N LEU A 29 19.167 11.472 -0.913 1.00 1.10 N ATOM 497 CA LEU A 29 18.720 10.266 -1.587 1.00 1.03 C ATOM 498 C LEU A 29 19.197 9.040 -0.826 1.00 0.95 C ATOM 499 O LEU A 29 20.389 8.732 -0.805 1.00 1.15 O ATOM 500 CB LEU A 29 19.243 10.233 -3.025 1.00 1.31 C ATOM 501 CG LEU A 29 18.786 11.394 -3.911 1.00 1.88 C ATOM 502 CD1 LEU A 29 19.417 11.287 -5.290 1.00 2.51 C ATOM 503 CD2 LEU A 29 17.268 11.417 -4.018 1.00 2.28 C ATOM 0 H LEU A 29 19.942 11.949 -1.374 1.00 1.10 H new ATOM 0 HA LEU A 29 17.630 10.263 -1.616 1.00 1.03 H new ATOM 0 HB2 LEU A 29 20.333 10.224 -2.998 1.00 1.31 H new ATOM 0 HB3 LEU A 29 18.928 9.298 -3.488 1.00 1.31 H new ATOM 0 HG LEU A 29 19.112 12.328 -3.454 1.00 1.88 H new ATOM 0 HD11 LEU A 29 19.083 12.120 -5.909 1.00 2.51 H new ATOM 0 HD12 LEU A 29 20.503 11.317 -5.197 1.00 2.51 H new ATOM 0 HD13 LEU A 29 19.119 10.347 -5.755 1.00 2.51 H new ATOM 0 HD21 LEU A 29 16.960 12.249 -4.652 1.00 2.28 H new ATOM 0 HD22 LEU A 29 16.920 10.481 -4.454 1.00 2.28 H new ATOM 0 HD23 LEU A 29 16.835 11.538 -3.025 1.00 2.28 H new ATOM 515 N VAL A 30 18.264 8.355 -0.192 1.00 0.79 N ATOM 516 CA VAL A 30 18.577 7.187 0.607 1.00 0.80 C ATOM 517 C VAL A 30 17.868 5.959 0.055 1.00 0.73 C ATOM 518 O VAL A 30 16.780 6.064 -0.513 1.00 0.75 O ATOM 519 CB VAL A 30 18.174 7.392 2.082 1.00 0.94 C ATOM 520 CG1 VAL A 30 19.044 8.453 2.738 1.00 1.34 C ATOM 521 CG2 VAL A 30 16.706 7.770 2.188 1.00 1.18 C ATOM 0 H VAL A 30 17.272 8.592 -0.216 1.00 0.79 H new ATOM 0 HA VAL A 30 19.655 7.036 0.559 1.00 0.80 H new ATOM 0 HB VAL A 30 18.328 6.450 2.609 1.00 0.94 H new ATOM 0 HG11 VAL A 30 18.741 8.580 3.777 1.00 1.34 H new ATOM 0 HG12 VAL A 30 20.088 8.142 2.700 1.00 1.34 H new ATOM 0 HG13 VAL A 30 18.927 9.398 2.208 1.00 1.34 H new ATOM 0 HG21 VAL A 30 16.441 7.910 3.236 1.00 1.18 H new ATOM 0 HG22 VAL A 30 16.528 8.696 1.642 1.00 1.18 H new ATOM 0 HG23 VAL A 30 16.094 6.975 1.762 1.00 1.18 H new ATOM 531 N ALA A 31 18.496 4.804 0.209 1.00 0.80 N ATOM 532 CA ALA A 31 17.929 3.556 -0.279 1.00 0.79 C ATOM 533 C ALA A 31 16.893 3.018 0.697 1.00 0.65 C ATOM 534 O ALA A 31 17.154 2.908 1.897 1.00 0.73 O ATOM 535 CB ALA A 31 19.026 2.532 -0.510 1.00 0.98 C ATOM 0 H ALA A 31 19.401 4.704 0.669 1.00 0.80 H new ATOM 0 HA ALA A 31 17.432 3.752 -1.229 1.00 0.79 H new ATOM 0 HB1 ALA A 31 18.586 1.604 -0.875 1.00 0.98 H new ATOM 0 HB2 ALA A 31 19.731 2.914 -1.248 1.00 0.98 H new ATOM 0 HB3 ALA A 31 19.549 2.342 0.427 1.00 0.98 H new ATOM 541 N VAL A 32 15.723 2.685 0.178 1.00 0.55 N ATOM 542 CA VAL A 32 14.630 2.205 1.009 1.00 0.49 C ATOM 543 C VAL A 32 14.542 0.678 0.986 1.00 0.36 C ATOM 544 O VAL A 32 14.718 0.048 -0.059 1.00 0.44 O ATOM 545 CB VAL A 32 13.279 2.817 0.561 1.00 0.65 C ATOM 546 CG1 VAL A 32 12.965 2.462 -0.883 1.00 1.12 C ATOM 547 CG2 VAL A 32 12.150 2.371 1.475 1.00 1.31 C ATOM 0 H VAL A 32 15.505 2.738 -0.817 1.00 0.55 H new ATOM 0 HA VAL A 32 14.838 2.524 2.030 1.00 0.49 H new ATOM 0 HB VAL A 32 13.370 3.901 0.631 1.00 0.65 H new ATOM 0 HG11 VAL A 32 12.011 2.906 -1.168 1.00 1.12 H new ATOM 0 HG12 VAL A 32 13.752 2.847 -1.532 1.00 1.12 H new ATOM 0 HG13 VAL A 32 12.906 1.379 -0.987 1.00 1.12 H new ATOM 0 HG21 VAL A 32 11.213 2.815 1.139 1.00 1.31 H new ATOM 0 HG22 VAL A 32 12.068 1.284 1.448 1.00 1.31 H new ATOM 0 HG23 VAL A 32 12.359 2.694 2.495 1.00 1.31 H new ATOM 557 N GLU A 33 14.302 0.092 2.150 1.00 0.37 N ATOM 558 CA GLU A 33 14.068 -1.339 2.259 1.00 0.44 C ATOM 559 C GLU A 33 12.679 -1.579 2.844 1.00 0.42 C ATOM 560 O GLU A 33 11.979 -0.622 3.168 1.00 0.46 O ATOM 561 CB GLU A 33 15.136 -2.002 3.129 1.00 0.64 C ATOM 562 CG GLU A 33 16.556 -1.747 2.656 1.00 0.73 C ATOM 563 CD GLU A 33 17.571 -2.584 3.401 1.00 1.23 C ATOM 564 OE1 GLU A 33 18.029 -3.606 2.848 1.00 1.28 O ATOM 565 OE2 GLU A 33 17.920 -2.219 4.544 1.00 2.05 O ATOM 0 H GLU A 33 14.264 0.591 3.039 1.00 0.37 H new ATOM 0 HA GLU A 33 14.125 -1.784 1.266 1.00 0.44 H new ATOM 0 HB2 GLU A 33 15.033 -1.641 4.152 1.00 0.64 H new ATOM 0 HB3 GLU A 33 14.958 -3.077 3.151 1.00 0.64 H new ATOM 0 HG2 GLU A 33 16.625 -1.962 1.590 1.00 0.73 H new ATOM 0 HG3 GLU A 33 16.795 -0.691 2.785 1.00 0.73 H new ATOM 572 N ILE A 34 12.272 -2.829 2.997 1.00 0.44 N ATOM 573 CA ILE A 34 10.918 -3.113 3.461 1.00 0.45 C ATOM 574 C ILE A 34 10.776 -2.828 4.962 1.00 0.36 C ATOM 575 O ILE A 34 9.732 -2.360 5.422 1.00 0.41 O ATOM 576 CB ILE A 34 10.492 -4.573 3.143 1.00 0.58 C ATOM 577 CG1 ILE A 34 8.995 -4.769 3.398 1.00 0.65 C ATOM 578 CG2 ILE A 34 11.297 -5.578 3.954 1.00 0.63 C ATOM 579 CD1 ILE A 34 8.107 -3.939 2.493 1.00 0.70 C ATOM 0 H ILE A 34 12.846 -3.652 2.811 1.00 0.44 H new ATOM 0 HA ILE A 34 10.249 -2.446 2.918 1.00 0.45 H new ATOM 0 HB ILE A 34 10.696 -4.750 2.087 1.00 0.58 H new ATOM 0 HG12 ILE A 34 8.748 -5.823 3.267 1.00 0.65 H new ATOM 0 HG13 ILE A 34 8.777 -4.518 4.436 1.00 0.65 H new ATOM 0 HG21 ILE A 34 10.973 -6.589 3.706 1.00 0.63 H new ATOM 0 HG22 ILE A 34 12.356 -5.469 3.720 1.00 0.63 H new ATOM 0 HG23 ILE A 34 11.140 -5.397 5.017 1.00 0.63 H new ATOM 0 HD11 ILE A 34 7.061 -4.132 2.733 1.00 0.70 H new ATOM 0 HD12 ILE A 34 8.324 -2.881 2.641 1.00 0.70 H new ATOM 0 HD13 ILE A 34 8.296 -4.207 1.453 1.00 0.70 H new ATOM 591 N ASP A 35 11.846 -3.067 5.711 1.00 0.37 N ATOM 592 CA ASP A 35 11.821 -2.902 7.161 1.00 0.39 C ATOM 593 C ASP A 35 12.228 -1.482 7.559 1.00 0.38 C ATOM 594 O ASP A 35 12.233 -1.126 8.738 1.00 0.50 O ATOM 595 CB ASP A 35 12.749 -3.939 7.812 1.00 0.54 C ATOM 596 CG ASP A 35 12.740 -3.888 9.328 1.00 1.44 C ATOM 597 OD1 ASP A 35 13.819 -3.679 9.923 1.00 2.03 O ATOM 598 OD2 ASP A 35 11.661 -4.055 9.935 1.00 2.28 O ATOM 0 H ASP A 35 12.744 -3.376 5.338 1.00 0.37 H new ATOM 0 HA ASP A 35 10.803 -3.063 7.516 1.00 0.39 H new ATOM 0 HB2 ASP A 35 12.451 -4.936 7.488 1.00 0.54 H new ATOM 0 HB3 ASP A 35 13.767 -3.779 7.457 1.00 0.54 H new ATOM 603 N SER A 36 12.546 -0.665 6.564 1.00 0.38 N ATOM 604 CA SER A 36 12.971 0.706 6.809 1.00 0.43 C ATOM 605 C SER A 36 11.867 1.522 7.477 1.00 0.32 C ATOM 606 O SER A 36 10.699 1.452 7.086 1.00 0.32 O ATOM 607 CB SER A 36 13.381 1.371 5.496 1.00 0.56 C ATOM 608 OG SER A 36 14.430 0.653 4.871 1.00 1.17 O ATOM 0 H SER A 36 12.518 -0.928 5.579 1.00 0.38 H new ATOM 0 HA SER A 36 13.826 0.674 7.485 1.00 0.43 H new ATOM 0 HB2 SER A 36 12.522 1.424 4.827 1.00 0.56 H new ATOM 0 HB3 SER A 36 13.700 2.396 5.687 1.00 0.56 H new ATOM 0 HG SER A 36 15.097 1.283 4.527 1.00 1.17 H new ATOM 614 N ARG A 37 12.245 2.281 8.494 1.00 0.35 N ATOM 615 CA ARG A 37 11.325 3.185 9.163 1.00 0.36 C ATOM 616 C ARG A 37 11.418 4.554 8.509 1.00 0.37 C ATOM 617 O ARG A 37 12.513 5.060 8.260 1.00 0.43 O ATOM 618 CB ARG A 37 11.664 3.285 10.650 1.00 0.46 C ATOM 619 CG ARG A 37 11.675 1.941 11.362 1.00 0.52 C ATOM 620 CD ARG A 37 12.086 2.081 12.818 1.00 0.82 C ATOM 621 NE ARG A 37 13.371 2.761 12.960 1.00 1.56 N ATOM 622 CZ ARG A 37 14.200 2.588 13.985 1.00 2.14 C ATOM 623 NH1 ARG A 37 13.901 1.735 14.954 1.00 2.14 N ATOM 624 NH2 ARG A 37 15.331 3.278 14.036 1.00 3.15 N ATOM 0 H ARG A 37 13.191 2.288 8.876 1.00 0.35 H new ATOM 0 HA ARG A 37 10.308 2.803 9.072 1.00 0.36 H new ATOM 0 HB2 ARG A 37 12.642 3.754 10.761 1.00 0.46 H new ATOM 0 HB3 ARG A 37 10.940 3.939 11.136 1.00 0.46 H new ATOM 0 HG2 ARG A 37 10.684 1.491 11.305 1.00 0.52 H new ATOM 0 HG3 ARG A 37 12.362 1.265 10.853 1.00 0.52 H new ATOM 0 HD2 ARG A 37 11.320 2.636 13.359 1.00 0.82 H new ATOM 0 HD3 ARG A 37 12.146 1.093 13.275 1.00 0.82 H new ATOM 0 HE ARG A 37 13.650 3.411 12.225 1.00 1.56 H new ATOM 0 HH11 ARG A 37 13.030 1.206 14.917 1.00 2.14 H new ATOM 0 HH12 ARG A 37 14.542 1.608 15.737 1.00 2.14 H new ATOM 0 HH21 ARG A 37 15.561 3.937 13.292 1.00 3.15 H new ATOM 0 HH22 ARG A 37 15.971 3.150 14.819 1.00 3.15 H new ATOM 638 N PHE A 38 10.263 5.143 8.231 1.00 0.37 N ATOM 639 CA PHE A 38 10.192 6.377 7.456 1.00 0.40 C ATOM 640 C PHE A 38 10.905 7.537 8.138 1.00 0.44 C ATOM 641 O PHE A 38 11.394 8.439 7.463 1.00 0.50 O ATOM 642 CB PHE A 38 8.740 6.742 7.159 1.00 0.41 C ATOM 643 CG PHE A 38 8.122 5.871 6.104 1.00 0.39 C ATOM 644 CD1 PHE A 38 7.293 4.820 6.460 1.00 0.40 C ATOM 645 CD2 PHE A 38 8.368 6.100 4.761 1.00 0.48 C ATOM 646 CE1 PHE A 38 6.720 4.014 5.497 1.00 0.45 C ATOM 647 CE2 PHE A 38 7.797 5.297 3.793 1.00 0.54 C ATOM 648 CZ PHE A 38 6.986 4.266 4.143 1.00 0.50 C ATOM 0 H PHE A 38 9.357 4.785 8.532 1.00 0.37 H new ATOM 0 HA PHE A 38 10.712 6.191 6.516 1.00 0.40 H new ATOM 0 HB2 PHE A 38 8.156 6.663 8.076 1.00 0.41 H new ATOM 0 HB3 PHE A 38 8.691 7.783 6.838 1.00 0.41 H new ATOM 0 HD1 PHE A 38 7.092 4.629 7.504 1.00 0.40 H new ATOM 0 HD2 PHE A 38 9.013 6.915 4.467 1.00 0.48 H new ATOM 0 HE1 PHE A 38 6.073 3.198 5.783 1.00 0.45 H new ATOM 0 HE2 PHE A 38 7.997 5.491 2.750 1.00 0.54 H new ATOM 0 HZ PHE A 38 6.546 3.641 3.380 1.00 0.50 H new ATOM 658 N SER A 39 10.977 7.512 9.462 1.00 0.52 N ATOM 659 CA SER A 39 11.711 8.536 10.193 1.00 0.63 C ATOM 660 C SER A 39 13.199 8.478 9.844 1.00 0.56 C ATOM 661 O SER A 39 13.823 9.505 9.570 1.00 0.56 O ATOM 662 CB SER A 39 11.511 8.363 11.701 1.00 0.83 C ATOM 663 OG SER A 39 10.131 8.376 12.038 1.00 1.63 O ATOM 0 H SER A 39 10.540 6.800 10.048 1.00 0.52 H new ATOM 0 HA SER A 39 11.324 9.512 9.901 1.00 0.63 H new ATOM 0 HB2 SER A 39 11.959 7.424 12.025 1.00 0.83 H new ATOM 0 HB3 SER A 39 12.026 9.162 12.234 1.00 0.83 H new ATOM 0 HG SER A 39 10.030 8.262 13.006 1.00 1.63 H new ATOM 669 N ASP A 40 13.750 7.266 9.819 1.00 0.61 N ATOM 670 CA ASP A 40 15.157 7.063 9.480 1.00 0.66 C ATOM 671 C ASP A 40 15.374 7.282 7.992 1.00 0.62 C ATOM 672 O ASP A 40 16.440 7.717 7.561 1.00 0.72 O ATOM 673 CB ASP A 40 15.611 5.648 9.855 1.00 0.83 C ATOM 674 CG ASP A 40 15.500 5.362 11.338 1.00 1.35 C ATOM 675 OD1 ASP A 40 14.403 4.986 11.791 1.00 2.20 O ATOM 676 OD2 ASP A 40 16.511 5.504 12.061 1.00 1.62 O ATOM 0 H ASP A 40 13.242 6.407 10.030 1.00 0.61 H new ATOM 0 HA ASP A 40 15.747 7.784 10.046 1.00 0.66 H new ATOM 0 HB2 ASP A 40 15.011 4.923 9.305 1.00 0.83 H new ATOM 0 HB3 ASP A 40 16.645 5.510 9.541 1.00 0.83 H new ATOM 681 N LEU A 41 14.348 6.970 7.213 1.00 0.58 N ATOM 682 CA LEU A 41 14.393 7.127 5.770 1.00 0.64 C ATOM 683 C LEU A 41 14.388 8.608 5.384 1.00 0.61 C ATOM 684 O LEU A 41 14.765 8.975 4.273 1.00 0.75 O ATOM 685 CB LEU A 41 13.191 6.408 5.163 1.00 0.71 C ATOM 686 CG LEU A 41 13.249 6.152 3.661 1.00 0.76 C ATOM 687 CD1 LEU A 41 14.419 5.244 3.312 1.00 1.44 C ATOM 688 CD2 LEU A 41 11.941 5.537 3.203 1.00 1.39 C ATOM 0 H LEU A 41 13.464 6.602 7.564 1.00 0.58 H new ATOM 0 HA LEU A 41 15.315 6.691 5.384 1.00 0.64 H new ATOM 0 HB2 LEU A 41 13.073 5.450 5.670 1.00 0.71 H new ATOM 0 HB3 LEU A 41 12.297 6.994 5.377 1.00 0.71 H new ATOM 0 HG LEU A 41 13.399 7.101 3.145 1.00 0.76 H new ATOM 0 HD11 LEU A 41 14.440 5.075 2.235 1.00 1.44 H new ATOM 0 HD12 LEU A 41 15.351 5.715 3.624 1.00 1.44 H new ATOM 0 HD13 LEU A 41 14.305 4.290 3.826 1.00 1.44 H new ATOM 0 HD21 LEU A 41 11.981 5.354 2.129 1.00 1.39 H new ATOM 0 HD22 LEU A 41 11.779 4.595 3.726 1.00 1.39 H new ATOM 0 HD23 LEU A 41 11.121 6.220 3.424 1.00 1.39 H new ATOM 700 N GLY A 42 13.959 9.455 6.310 1.00 0.52 N ATOM 701 CA GLY A 42 13.972 10.885 6.071 1.00 0.56 C ATOM 702 C GLY A 42 12.625 11.415 5.625 1.00 0.47 C ATOM 703 O GLY A 42 12.538 12.506 5.063 1.00 0.51 O ATOM 0 H GLY A 42 13.602 9.177 7.224 1.00 0.52 H new ATOM 0 HA2 GLY A 42 14.276 11.399 6.983 1.00 0.56 H new ATOM 0 HA3 GLY A 42 14.718 11.115 5.311 1.00 0.56 H new ATOM 707 N LEU A 43 11.579 10.644 5.873 1.00 0.45 N ATOM 708 CA LEU A 43 10.227 11.044 5.514 1.00 0.40 C ATOM 709 C LEU A 43 9.459 11.465 6.761 1.00 0.41 C ATOM 710 O LEU A 43 9.135 10.634 7.614 1.00 0.53 O ATOM 711 CB LEU A 43 9.478 9.900 4.806 1.00 0.40 C ATOM 712 CG LEU A 43 9.848 9.633 3.335 1.00 0.51 C ATOM 713 CD1 LEU A 43 9.601 10.865 2.480 1.00 1.05 C ATOM 714 CD2 LEU A 43 11.290 9.175 3.199 1.00 1.09 C ATOM 0 H LEU A 43 11.641 9.731 6.325 1.00 0.45 H new ATOM 0 HA LEU A 43 10.296 11.887 4.826 1.00 0.40 H new ATOM 0 HB2 LEU A 43 9.647 8.983 5.371 1.00 0.40 H new ATOM 0 HB3 LEU A 43 8.410 10.112 4.854 1.00 0.40 H new ATOM 0 HG LEU A 43 9.204 8.829 2.978 1.00 0.51 H new ATOM 0 HD11 LEU A 43 9.870 10.650 1.446 1.00 1.05 H new ATOM 0 HD12 LEU A 43 8.547 11.138 2.531 1.00 1.05 H new ATOM 0 HD13 LEU A 43 10.208 11.692 2.849 1.00 1.05 H new ATOM 0 HD21 LEU A 43 11.517 8.996 2.148 1.00 1.09 H new ATOM 0 HD22 LEU A 43 11.955 9.946 3.588 1.00 1.09 H new ATOM 0 HD23 LEU A 43 11.434 8.254 3.764 1.00 1.09 H new ATOM 726 N SER A 44 9.181 12.757 6.869 1.00 0.45 N ATOM 727 CA SER A 44 8.433 13.285 7.997 1.00 0.54 C ATOM 728 C SER A 44 6.949 12.958 7.837 1.00 0.50 C ATOM 729 O SER A 44 6.544 12.422 6.805 1.00 0.42 O ATOM 730 CB SER A 44 8.647 14.802 8.104 1.00 0.67 C ATOM 731 OG SER A 44 7.948 15.356 9.207 1.00 1.66 O ATOM 0 H SER A 44 9.464 13.459 6.186 1.00 0.45 H new ATOM 0 HA SER A 44 8.792 12.821 8.915 1.00 0.54 H new ATOM 0 HB2 SER A 44 9.712 15.013 8.205 1.00 0.67 H new ATOM 0 HB3 SER A 44 8.313 15.282 7.184 1.00 0.67 H new ATOM 0 HG SER A 44 8.109 16.322 9.244 1.00 1.66 H new ATOM 737 N SER A 45 6.142 13.273 8.839 1.00 0.62 N ATOM 738 CA SER A 45 4.710 13.018 8.766 1.00 0.65 C ATOM 739 C SER A 45 4.095 13.774 7.587 1.00 0.52 C ATOM 740 O SER A 45 3.214 13.261 6.893 1.00 0.51 O ATOM 741 CB SER A 45 4.036 13.422 10.079 1.00 0.84 C ATOM 742 OG SER A 45 4.585 12.701 11.172 1.00 1.55 O ATOM 0 H SER A 45 6.452 13.704 9.710 1.00 0.62 H new ATOM 0 HA SER A 45 4.549 11.951 8.609 1.00 0.65 H new ATOM 0 HB2 SER A 45 4.163 14.492 10.243 1.00 0.84 H new ATOM 0 HB3 SER A 45 2.964 13.234 10.015 1.00 0.84 H new ATOM 0 HG SER A 45 4.141 12.976 12.001 1.00 1.55 H new ATOM 748 N LEU A 46 4.599 14.978 7.343 1.00 0.52 N ATOM 749 CA LEU A 46 4.128 15.801 6.236 1.00 0.50 C ATOM 750 C LEU A 46 4.523 15.169 4.907 1.00 0.44 C ATOM 751 O LEU A 46 3.759 15.184 3.941 1.00 0.48 O ATOM 752 CB LEU A 46 4.697 17.222 6.326 1.00 0.65 C ATOM 753 CG LEU A 46 4.210 18.069 7.510 1.00 1.51 C ATOM 754 CD1 LEU A 46 4.836 17.606 8.819 1.00 2.22 C ATOM 755 CD2 LEU A 46 4.515 19.536 7.264 1.00 2.00 C ATOM 0 H LEU A 46 5.338 15.408 7.900 1.00 0.52 H new ATOM 0 HA LEU A 46 3.041 15.861 6.298 1.00 0.50 H new ATOM 0 HB2 LEU A 46 5.784 17.154 6.376 1.00 0.65 H new ATOM 0 HB3 LEU A 46 4.453 17.749 5.404 1.00 0.65 H new ATOM 0 HG LEU A 46 3.131 17.941 7.596 1.00 1.51 H new ATOM 0 HD11 LEU A 46 4.470 18.227 9.637 1.00 2.22 H new ATOM 0 HD12 LEU A 46 4.566 16.566 9.004 1.00 2.22 H new ATOM 0 HD13 LEU A 46 5.921 17.693 8.755 1.00 2.22 H new ATOM 0 HD21 LEU A 46 4.165 20.127 8.110 1.00 2.00 H new ATOM 0 HD22 LEU A 46 5.591 19.670 7.148 1.00 2.00 H new ATOM 0 HD23 LEU A 46 4.009 19.866 6.357 1.00 2.00 H new ATOM 767 N ASP A 47 5.721 14.596 4.874 1.00 0.42 N ATOM 768 CA ASP A 47 6.206 13.909 3.685 1.00 0.41 C ATOM 769 C ASP A 47 5.401 12.645 3.452 1.00 0.36 C ATOM 770 O ASP A 47 5.103 12.291 2.314 1.00 0.38 O ATOM 771 CB ASP A 47 7.691 13.564 3.810 1.00 0.50 C ATOM 772 CG ASP A 47 8.571 14.789 3.921 1.00 0.75 C ATOM 773 OD1 ASP A 47 8.655 15.556 2.940 1.00 0.89 O ATOM 774 OD2 ASP A 47 9.183 14.992 4.991 1.00 1.11 O ATOM 0 H ASP A 47 6.374 14.594 5.658 1.00 0.42 H new ATOM 0 HA ASP A 47 6.084 14.580 2.835 1.00 0.41 H new ATOM 0 HB2 ASP A 47 7.840 12.935 4.687 1.00 0.50 H new ATOM 0 HB3 ASP A 47 7.998 12.980 2.942 1.00 0.50 H new ATOM 779 N LEU A 48 5.046 11.974 4.542 1.00 0.39 N ATOM 780 CA LEU A 48 4.201 10.790 4.474 1.00 0.46 C ATOM 781 C LEU A 48 2.849 11.129 3.870 1.00 0.47 C ATOM 782 O LEU A 48 2.354 10.400 3.017 1.00 0.51 O ATOM 783 CB LEU A 48 4.013 10.172 5.861 1.00 0.56 C ATOM 784 CG LEU A 48 5.216 9.395 6.394 1.00 0.74 C ATOM 785 CD1 LEU A 48 4.957 8.921 7.815 1.00 1.35 C ATOM 786 CD2 LEU A 48 5.520 8.213 5.487 1.00 1.42 C ATOM 0 H LEU A 48 5.332 12.232 5.486 1.00 0.39 H new ATOM 0 HA LEU A 48 4.699 10.062 3.834 1.00 0.46 H new ATOM 0 HB2 LEU A 48 3.773 10.967 6.566 1.00 0.56 H new ATOM 0 HB3 LEU A 48 3.153 9.503 5.830 1.00 0.56 H new ATOM 0 HG LEU A 48 6.081 10.058 6.406 1.00 0.74 H new ATOM 0 HD11 LEU A 48 5.824 8.370 8.178 1.00 1.35 H new ATOM 0 HD12 LEU A 48 4.779 9.782 8.459 1.00 1.35 H new ATOM 0 HD13 LEU A 48 4.082 8.271 7.828 1.00 1.35 H new ATOM 0 HD21 LEU A 48 6.379 7.667 5.877 1.00 1.42 H new ATOM 0 HD22 LEU A 48 4.655 7.551 5.450 1.00 1.42 H new ATOM 0 HD23 LEU A 48 5.744 8.573 4.483 1.00 1.42 H new ATOM 798 N ALA A 49 2.264 12.238 4.305 1.00 0.47 N ATOM 799 CA ALA A 49 0.990 12.695 3.762 1.00 0.55 C ATOM 800 C ALA A 49 1.076 12.846 2.246 1.00 0.50 C ATOM 801 O ALA A 49 0.211 12.367 1.510 1.00 0.55 O ATOM 802 CB ALA A 49 0.586 14.012 4.407 1.00 0.63 C ATOM 0 H ALA A 49 2.651 12.838 5.033 1.00 0.47 H new ATOM 0 HA ALA A 49 0.229 11.948 3.988 1.00 0.55 H new ATOM 0 HB1 ALA A 49 -0.367 14.343 3.993 1.00 0.63 H new ATOM 0 HB2 ALA A 49 0.486 13.874 5.484 1.00 0.63 H new ATOM 0 HB3 ALA A 49 1.349 14.764 4.207 1.00 0.63 H new ATOM 808 N THR A 50 2.140 13.494 1.790 1.00 0.45 N ATOM 809 CA THR A 50 2.378 13.680 0.368 1.00 0.45 C ATOM 810 C THR A 50 2.658 12.341 -0.324 1.00 0.39 C ATOM 811 O THR A 50 2.125 12.061 -1.399 1.00 0.40 O ATOM 812 CB THR A 50 3.558 14.645 0.142 1.00 0.51 C ATOM 813 OG1 THR A 50 3.325 15.865 0.858 1.00 0.58 O ATOM 814 CG2 THR A 50 3.743 14.951 -1.337 1.00 0.60 C ATOM 0 H THR A 50 2.856 13.902 2.391 1.00 0.45 H new ATOM 0 HA THR A 50 1.477 14.111 -0.069 1.00 0.45 H new ATOM 0 HB THR A 50 4.466 14.166 0.509 1.00 0.51 H new ATOM 0 HG1 THR A 50 3.460 15.713 1.817 1.00 0.58 H new ATOM 0 HG21 THR A 50 4.583 15.634 -1.465 1.00 0.60 H new ATOM 0 HG22 THR A 50 3.942 14.026 -1.878 1.00 0.60 H new ATOM 0 HG23 THR A 50 2.837 15.413 -1.729 1.00 0.60 H new ATOM 822 N LEU A 51 3.484 11.516 0.306 1.00 0.35 N ATOM 823 CA LEU A 51 3.828 10.203 -0.228 1.00 0.34 C ATOM 824 C LEU A 51 2.583 9.336 -0.393 1.00 0.35 C ATOM 825 O LEU A 51 2.361 8.742 -1.448 1.00 0.40 O ATOM 826 CB LEU A 51 4.830 9.505 0.697 1.00 0.35 C ATOM 827 CG LEU A 51 5.194 8.070 0.312 1.00 0.39 C ATOM 828 CD1 LEU A 51 5.877 8.035 -1.047 1.00 0.44 C ATOM 829 CD2 LEU A 51 6.084 7.446 1.374 1.00 0.43 C ATOM 0 H LEU A 51 3.932 11.735 1.196 1.00 0.35 H new ATOM 0 HA LEU A 51 4.281 10.344 -1.209 1.00 0.34 H new ATOM 0 HB2 LEU A 51 5.744 10.098 0.726 1.00 0.35 H new ATOM 0 HB3 LEU A 51 4.422 9.499 1.708 1.00 0.35 H new ATOM 0 HG LEU A 51 4.275 7.488 0.246 1.00 0.39 H new ATOM 0 HD11 LEU A 51 6.128 7.005 -1.302 1.00 0.44 H new ATOM 0 HD12 LEU A 51 5.205 8.443 -1.802 1.00 0.44 H new ATOM 0 HD13 LEU A 51 6.788 8.632 -1.012 1.00 0.44 H new ATOM 0 HD21 LEU A 51 6.334 6.425 1.085 1.00 0.43 H new ATOM 0 HD22 LEU A 51 6.999 8.030 1.471 1.00 0.43 H new ATOM 0 HD23 LEU A 51 5.558 7.434 2.329 1.00 0.43 H new ATOM 841 N ILE A 52 1.769 9.282 0.652 1.00 0.37 N ATOM 842 CA ILE A 52 0.557 8.482 0.636 1.00 0.44 C ATOM 843 C ILE A 52 -0.435 9.024 -0.392 1.00 0.41 C ATOM 844 O ILE A 52 -1.160 8.260 -1.019 1.00 0.43 O ATOM 845 CB ILE A 52 -0.094 8.417 2.037 1.00 0.56 C ATOM 846 CG1 ILE A 52 0.874 7.765 3.031 1.00 0.66 C ATOM 847 CG2 ILE A 52 -1.402 7.644 1.989 1.00 0.67 C ATOM 848 CD1 ILE A 52 0.344 7.685 4.447 1.00 0.72 C ATOM 0 H ILE A 52 1.929 9.786 1.524 1.00 0.37 H new ATOM 0 HA ILE A 52 0.834 7.468 0.349 1.00 0.44 H new ATOM 0 HB ILE A 52 -0.313 9.433 2.366 1.00 0.56 H new ATOM 0 HG12 ILE A 52 1.110 6.759 2.685 1.00 0.66 H new ATOM 0 HG13 ILE A 52 1.808 8.328 3.035 1.00 0.66 H new ATOM 0 HG21 ILE A 52 -1.842 7.611 2.986 1.00 0.67 H new ATOM 0 HG22 ILE A 52 -2.091 8.138 1.304 1.00 0.67 H new ATOM 0 HG23 ILE A 52 -1.212 6.628 1.643 1.00 0.67 H new ATOM 0 HD11 ILE A 52 1.088 7.211 5.088 1.00 0.72 H new ATOM 0 HD12 ILE A 52 0.135 8.690 4.815 1.00 0.72 H new ATOM 0 HD13 ILE A 52 -0.573 7.096 4.459 1.00 0.72 H new ATOM 860 N SER A 53 -0.446 10.338 -0.581 1.00 0.44 N ATOM 861 CA SER A 53 -1.278 10.952 -1.611 1.00 0.50 C ATOM 862 C SER A 53 -0.841 10.478 -3.000 1.00 0.48 C ATOM 863 O SER A 53 -1.672 10.223 -3.877 1.00 0.53 O ATOM 864 CB SER A 53 -1.198 12.480 -1.522 1.00 0.58 C ATOM 865 OG SER A 53 -2.022 13.097 -2.500 1.00 1.21 O ATOM 0 H SER A 53 0.110 10.998 -0.037 1.00 0.44 H new ATOM 0 HA SER A 53 -2.312 10.648 -1.448 1.00 0.50 H new ATOM 0 HB2 SER A 53 -1.504 12.805 -0.528 1.00 0.58 H new ATOM 0 HB3 SER A 53 -0.165 12.801 -1.658 1.00 0.58 H new ATOM 0 HG SER A 53 -1.952 14.071 -2.419 1.00 1.21 H new ATOM 871 N ASN A 54 0.467 10.333 -3.181 1.00 0.47 N ATOM 872 CA ASN A 54 1.025 9.864 -4.447 1.00 0.54 C ATOM 873 C ASN A 54 0.733 8.382 -4.655 1.00 0.47 C ATOM 874 O ASN A 54 0.767 7.886 -5.780 1.00 0.57 O ATOM 875 CB ASN A 54 2.535 10.118 -4.501 1.00 0.65 C ATOM 876 CG ASN A 54 2.877 11.530 -4.941 1.00 0.92 C ATOM 877 OD1 ASN A 54 3.114 11.784 -6.122 1.00 1.44 O ATOM 878 ND2 ASN A 54 2.900 12.463 -4.003 1.00 1.28 N ATOM 0 H ASN A 54 1.165 10.534 -2.464 1.00 0.47 H new ATOM 0 HA ASN A 54 0.548 10.425 -5.251 1.00 0.54 H new ATOM 0 HB2 ASN A 54 2.965 9.934 -3.517 1.00 0.65 H new ATOM 0 HB3 ASN A 54 2.994 9.407 -5.187 1.00 0.65 H new ATOM 0 HD21 ASN A 54 3.119 13.428 -4.249 1.00 1.28 H new ATOM 0 HD22 ASN A 54 2.698 12.217 -3.034 1.00 1.28 H new ATOM 885 N LEU A 55 0.457 7.677 -3.568 1.00 0.40 N ATOM 886 CA LEU A 55 0.090 6.270 -3.641 1.00 0.41 C ATOM 887 C LEU A 55 -1.426 6.137 -3.776 1.00 0.40 C ATOM 888 O LEU A 55 -1.938 5.174 -4.352 1.00 0.42 O ATOM 889 CB LEU A 55 0.577 5.532 -2.391 1.00 0.49 C ATOM 890 CG LEU A 55 0.464 4.007 -2.442 1.00 0.67 C ATOM 891 CD1 LEU A 55 1.399 3.439 -3.501 1.00 0.79 C ATOM 892 CD2 LEU A 55 0.765 3.404 -1.078 1.00 1.22 C ATOM 0 H LEU A 55 0.480 8.057 -2.622 1.00 0.40 H new ATOM 0 HA LEU A 55 0.564 5.824 -4.515 1.00 0.41 H new ATOM 0 HB2 LEU A 55 1.620 5.796 -2.217 1.00 0.49 H new ATOM 0 HB3 LEU A 55 0.010 5.893 -1.533 1.00 0.49 H new ATOM 0 HG LEU A 55 -0.559 3.745 -2.713 1.00 0.67 H new ATOM 0 HD11 LEU A 55 1.306 2.353 -3.524 1.00 0.79 H new ATOM 0 HD12 LEU A 55 1.134 3.847 -4.477 1.00 0.79 H new ATOM 0 HD13 LEU A 55 2.427 3.710 -3.262 1.00 0.79 H new ATOM 0 HD21 LEU A 55 0.680 2.319 -1.133 1.00 1.22 H new ATOM 0 HD22 LEU A 55 1.777 3.674 -0.776 1.00 1.22 H new ATOM 0 HD23 LEU A 55 0.054 3.787 -0.346 1.00 1.22 H new ATOM 904 N GLU A 56 -2.130 7.126 -3.239 1.00 0.43 N ATOM 905 CA GLU A 56 -3.584 7.188 -3.303 1.00 0.50 C ATOM 906 C GLU A 56 -4.051 7.173 -4.753 1.00 0.48 C ATOM 907 O GLU A 56 -4.976 6.448 -5.104 1.00 0.54 O ATOM 908 CB GLU A 56 -4.070 8.454 -2.577 1.00 0.62 C ATOM 909 CG GLU A 56 -5.582 8.602 -2.465 1.00 0.80 C ATOM 910 CD GLU A 56 -6.228 9.169 -3.712 1.00 1.19 C ATOM 911 OE1 GLU A 56 -7.119 8.505 -4.280 1.00 1.81 O ATOM 912 OE2 GLU A 56 -5.835 10.273 -4.143 1.00 1.47 O ATOM 0 H GLU A 56 -1.706 7.911 -2.745 1.00 0.43 H new ATOM 0 HA GLU A 56 -4.010 6.315 -2.809 1.00 0.50 H new ATOM 0 HB2 GLU A 56 -3.646 8.462 -1.573 1.00 0.62 H new ATOM 0 HB3 GLU A 56 -3.674 9.326 -3.098 1.00 0.62 H new ATOM 0 HG2 GLU A 56 -6.020 7.627 -2.250 1.00 0.80 H new ATOM 0 HG3 GLU A 56 -5.814 9.249 -1.619 1.00 0.80 H new ATOM 919 N ALA A 57 -3.375 7.946 -5.595 1.00 0.47 N ATOM 920 CA ALA A 57 -3.734 8.042 -7.006 1.00 0.54 C ATOM 921 C ALA A 57 -3.457 6.739 -7.756 1.00 0.50 C ATOM 922 O ALA A 57 -3.841 6.589 -8.915 1.00 0.65 O ATOM 923 CB ALA A 57 -2.987 9.191 -7.658 1.00 0.65 C ATOM 0 H ALA A 57 -2.574 8.517 -5.325 1.00 0.47 H new ATOM 0 HA ALA A 57 -4.806 8.230 -7.061 1.00 0.54 H new ATOM 0 HB1 ALA A 57 -3.263 9.253 -8.711 1.00 0.65 H new ATOM 0 HB2 ALA A 57 -3.248 10.124 -7.159 1.00 0.65 H new ATOM 0 HB3 ALA A 57 -1.914 9.022 -7.573 1.00 0.65 H new ATOM 929 N VAL A 58 -2.786 5.805 -7.095 1.00 0.39 N ATOM 930 CA VAL A 58 -2.482 4.516 -7.697 1.00 0.44 C ATOM 931 C VAL A 58 -3.622 3.527 -7.462 1.00 0.48 C ATOM 932 O VAL A 58 -4.096 2.878 -8.397 1.00 0.58 O ATOM 933 CB VAL A 58 -1.167 3.926 -7.138 1.00 0.46 C ATOM 934 CG1 VAL A 58 -0.875 2.565 -7.753 1.00 0.57 C ATOM 935 CG2 VAL A 58 -0.006 4.880 -7.377 1.00 0.48 C ATOM 0 H VAL A 58 -2.442 5.917 -6.141 1.00 0.39 H new ATOM 0 HA VAL A 58 -2.361 4.681 -8.768 1.00 0.44 H new ATOM 0 HB VAL A 58 -1.288 3.793 -6.063 1.00 0.46 H new ATOM 0 HG11 VAL A 58 0.055 2.172 -7.343 1.00 0.57 H new ATOM 0 HG12 VAL A 58 -1.691 1.879 -7.523 1.00 0.57 H new ATOM 0 HG13 VAL A 58 -0.780 2.667 -8.834 1.00 0.57 H new ATOM 0 HG21 VAL A 58 0.910 4.446 -6.976 1.00 0.48 H new ATOM 0 HG22 VAL A 58 0.111 5.050 -8.447 1.00 0.48 H new ATOM 0 HG23 VAL A 58 -0.206 5.829 -6.879 1.00 0.48 H new ATOM 945 N TYR A 59 -4.068 3.425 -6.214 1.00 0.48 N ATOM 946 CA TYR A 59 -5.105 2.458 -5.855 1.00 0.57 C ATOM 947 C TYR A 59 -6.499 3.080 -5.870 1.00 0.67 C ATOM 948 O TYR A 59 -7.485 2.410 -6.176 1.00 0.74 O ATOM 949 CB TYR A 59 -4.846 1.873 -4.465 1.00 0.61 C ATOM 950 CG TYR A 59 -3.611 1.007 -4.361 1.00 0.63 C ATOM 951 CD1 TYR A 59 -3.641 -0.327 -4.741 1.00 0.88 C ATOM 952 CD2 TYR A 59 -2.412 1.534 -3.902 1.00 0.60 C ATOM 953 CE1 TYR A 59 -2.508 -1.115 -4.663 1.00 1.00 C ATOM 954 CE2 TYR A 59 -1.276 0.752 -3.819 1.00 0.71 C ATOM 955 CZ TYR A 59 -1.353 -0.598 -4.138 1.00 0.87 C ATOM 956 OH TYR A 59 -0.197 -1.353 -4.125 1.00 1.04 O ATOM 0 H TYR A 59 -3.732 3.995 -5.438 1.00 0.48 H new ATOM 0 HA TYR A 59 -5.065 1.669 -6.606 1.00 0.57 H new ATOM 0 HB2 TYR A 59 -4.759 2.693 -3.752 1.00 0.61 H new ATOM 0 HB3 TYR A 59 -5.713 1.283 -4.168 1.00 0.61 H new ATOM 0 HD1 TYR A 59 -4.563 -0.756 -5.103 1.00 0.88 H new ATOM 0 HD2 TYR A 59 -2.366 2.571 -3.605 1.00 0.60 H new ATOM 0 HE1 TYR A 59 -2.533 -2.136 -5.015 1.00 1.00 H new ATOM 0 HE2 TYR A 59 -0.337 1.186 -3.509 1.00 0.71 H new ATOM 0 HH TYR A 59 0.528 -0.834 -3.718 1.00 1.04 H new ATOM 966 N GLY A 60 -6.578 4.360 -5.536 1.00 0.79 N ATOM 967 CA GLY A 60 -7.867 5.009 -5.373 1.00 0.93 C ATOM 968 C GLY A 60 -8.392 4.846 -3.962 1.00 1.01 C ATOM 969 O GLY A 60 -9.516 5.243 -3.649 1.00 1.23 O ATOM 0 H GLY A 60 -5.772 4.964 -5.374 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -7.775 6.069 -5.609 1.00 0.93 H new ATOM 0 HA3 GLY A 60 -8.581 4.586 -6.080 1.00 0.93 H new ATOM 973 N THR A 61 -7.560 4.261 -3.112 1.00 1.00 N ATOM 974 CA THR A 61 -7.918 3.972 -1.735 1.00 1.17 C ATOM 975 C THR A 61 -7.761 5.204 -0.851 1.00 1.44 C ATOM 976 O THR A 61 -6.765 5.918 -0.947 1.00 1.78 O ATOM 977 CB THR A 61 -7.032 2.840 -1.195 1.00 1.44 C ATOM 978 OG1 THR A 61 -5.656 3.147 -1.460 1.00 1.83 O ATOM 979 CG2 THR A 61 -7.393 1.512 -1.843 1.00 1.52 C ATOM 0 H THR A 61 -6.614 3.973 -3.362 1.00 1.00 H new ATOM 0 HA THR A 61 -8.964 3.667 -1.716 1.00 1.17 H new ATOM 0 HB THR A 61 -7.194 2.753 -0.121 1.00 1.44 H new ATOM 0 HG1 THR A 61 -5.162 3.190 -0.615 1.00 1.83 H new ATOM 0 HG21 THR A 61 -6.752 0.726 -1.444 1.00 1.52 H new ATOM 0 HG22 THR A 61 -8.435 1.274 -1.629 1.00 1.52 H new ATOM 0 HG23 THR A 61 -7.252 1.583 -2.921 1.00 1.52 H new ATOM 987 N ASP A 62 -8.747 5.433 0.009 1.00 1.59 N ATOM 988 CA ASP A 62 -8.756 6.598 0.892 1.00 1.95 C ATOM 989 C ASP A 62 -7.698 6.470 1.985 1.00 1.51 C ATOM 990 O ASP A 62 -7.761 5.555 2.811 1.00 1.59 O ATOM 991 CB ASP A 62 -10.133 6.770 1.540 1.00 2.71 C ATOM 992 CG ASP A 62 -11.221 7.109 0.542 1.00 3.35 C ATOM 993 OD1 ASP A 62 -11.569 8.302 0.417 1.00 4.01 O ATOM 994 OD2 ASP A 62 -11.723 6.189 -0.139 1.00 3.59 O ATOM 0 H ASP A 62 -9.558 4.823 0.115 1.00 1.59 H new ATOM 0 HA ASP A 62 -8.528 7.473 0.283 1.00 1.95 H new ATOM 0 HB2 ASP A 62 -10.400 5.851 2.061 1.00 2.71 H new ATOM 0 HB3 ASP A 62 -10.079 7.558 2.291 1.00 2.71 H new ATOM 999 N PRO A 63 -6.711 7.384 1.996 1.00 2.12 N ATOM 1000 CA PRO A 63 -5.659 7.410 3.015 1.00 2.53 C ATOM 1001 C PRO A 63 -6.225 7.481 4.427 1.00 2.06 C ATOM 1002 O PRO A 63 -6.882 8.457 4.799 1.00 2.15 O ATOM 1003 CB PRO A 63 -4.878 8.686 2.698 1.00 3.71 C ATOM 1004 CG PRO A 63 -5.140 8.946 1.257 1.00 3.94 C ATOM 1005 CD PRO A 63 -6.534 8.450 0.997 1.00 3.13 C ATOM 0 HA PRO A 63 -5.052 6.505 2.990 1.00 2.53 H new ATOM 0 HB2 PRO A 63 -5.213 9.518 3.317 1.00 3.71 H new ATOM 0 HB3 PRO A 63 -3.813 8.555 2.889 1.00 3.71 H new ATOM 0 HG2 PRO A 63 -5.055 10.009 1.030 1.00 3.94 H new ATOM 0 HG3 PRO A 63 -4.417 8.427 0.628 1.00 3.94 H new ATOM 0 HD2 PRO A 63 -7.272 9.243 1.121 1.00 3.13 H new ATOM 0 HD3 PRO A 63 -6.642 8.070 -0.019 1.00 3.13 H new ATOM 1013 N PHE A 64 -5.959 6.448 5.211 1.00 2.11 N ATOM 1014 CA PHE A 64 -6.432 6.387 6.588 1.00 1.93 C ATOM 1015 C PHE A 64 -5.548 7.227 7.503 1.00 2.37 C ATOM 1016 O PHE A 64 -5.831 7.374 8.690 1.00 2.33 O ATOM 1017 CB PHE A 64 -6.465 4.936 7.077 1.00 2.60 C ATOM 1018 CG PHE A 64 -5.141 4.230 6.978 1.00 2.84 C ATOM 1019 CD1 PHE A 64 -4.246 4.265 8.034 1.00 3.12 C ATOM 1020 CD2 PHE A 64 -4.793 3.534 5.830 1.00 3.20 C ATOM 1021 CE1 PHE A 64 -3.030 3.619 7.948 1.00 3.72 C ATOM 1022 CE2 PHE A 64 -3.578 2.885 5.740 1.00 3.78 C ATOM 1023 CZ PHE A 64 -2.697 2.927 6.791 1.00 4.03 C ATOM 0 H PHE A 64 -5.416 5.636 4.917 1.00 2.11 H new ATOM 0 HA PHE A 64 -7.443 6.793 6.617 1.00 1.93 H new ATOM 0 HB2 PHE A 64 -6.798 4.920 8.115 1.00 2.60 H new ATOM 0 HB3 PHE A 64 -7.204 4.384 6.497 1.00 2.60 H new ATOM 0 HD1 PHE A 64 -4.503 4.804 8.934 1.00 3.12 H new ATOM 0 HD2 PHE A 64 -5.480 3.499 4.997 1.00 3.20 H new ATOM 0 HE1 PHE A 64 -2.339 3.651 8.778 1.00 3.72 H new ATOM 0 HE2 PHE A 64 -3.321 2.344 4.842 1.00 3.78 H new ATOM 0 HZ PHE A 64 -1.745 2.422 6.718 1.00 4.03 H new ATOM 1033 N ALA A 65 -4.484 7.778 6.937 1.00 3.08 N ATOM 1034 CA ALA A 65 -3.548 8.598 7.691 1.00 3.86 C ATOM 1035 C ALA A 65 -4.231 9.851 8.233 1.00 3.69 C ATOM 1036 O ALA A 65 -4.037 10.224 9.387 1.00 3.90 O ATOM 1037 CB ALA A 65 -2.364 8.973 6.818 1.00 4.87 C ATOM 0 H ALA A 65 -4.247 7.671 5.951 1.00 3.08 H new ATOM 0 HA ALA A 65 -3.190 8.017 8.541 1.00 3.86 H new ATOM 0 HB1 ALA A 65 -1.669 9.587 7.391 1.00 4.87 H new ATOM 0 HB2 ALA A 65 -1.858 8.068 6.483 1.00 4.87 H new ATOM 0 HB3 ALA A 65 -2.714 9.534 5.952 1.00 4.87 H new ATOM 1043 N ASP A 66 -5.041 10.487 7.394 1.00 3.58 N ATOM 1044 CA ASP A 66 -5.774 11.685 7.794 1.00 3.92 C ATOM 1045 C ASP A 66 -7.018 11.318 8.582 1.00 3.25 C ATOM 1046 O ASP A 66 -7.581 12.145 9.300 1.00 3.56 O ATOM 1047 CB ASP A 66 -6.176 12.511 6.571 1.00 4.73 C ATOM 1048 CG ASP A 66 -5.000 13.207 5.925 1.00 5.33 C ATOM 1049 OD1 ASP A 66 -4.622 14.301 6.396 1.00 5.57 O ATOM 1050 OD2 ASP A 66 -4.447 12.667 4.944 1.00 5.89 O ATOM 0 H ASP A 66 -5.208 10.193 6.431 1.00 3.58 H new ATOM 0 HA ASP A 66 -5.113 12.279 8.425 1.00 3.92 H new ATOM 0 HB2 ASP A 66 -6.654 11.860 5.839 1.00 4.73 H new ATOM 0 HB3 ASP A 66 -6.915 13.255 6.867 1.00 4.73 H new ATOM 1055 N ALA A 67 -7.437 10.072 8.449 1.00 2.57 N ATOM 1056 CA ALA A 67 -8.655 9.605 9.085 1.00 2.48 C ATOM 1057 C ALA A 67 -8.392 9.152 10.517 1.00 2.09 C ATOM 1058 O ALA A 67 -8.954 9.701 11.463 1.00 2.63 O ATOM 1059 CB ALA A 67 -9.271 8.477 8.273 1.00 2.61 C ATOM 0 H ALA A 67 -6.948 9.362 7.903 1.00 2.57 H new ATOM 0 HA ALA A 67 -9.358 10.437 9.124 1.00 2.48 H new ATOM 0 HB1 ALA A 67 -10.184 8.135 8.760 1.00 2.61 H new ATOM 0 HB2 ALA A 67 -9.507 8.836 7.271 1.00 2.61 H new ATOM 0 HB3 ALA A 67 -8.564 7.650 8.205 1.00 2.61 H new ATOM 1065 N VAL A 68 -7.522 8.165 10.672 1.00 1.75 N ATOM 1066 CA VAL A 68 -7.261 7.589 11.982 1.00 2.06 C ATOM 1067 C VAL A 68 -5.980 8.149 12.586 1.00 1.84 C ATOM 1068 O VAL A 68 -6.027 8.930 13.538 1.00 2.23 O ATOM 1069 CB VAL A 68 -7.165 6.050 11.912 1.00 2.70 C ATOM 1070 CG1 VAL A 68 -7.001 5.457 13.304 1.00 3.04 C ATOM 1071 CG2 VAL A 68 -8.388 5.466 11.222 1.00 3.37 C ATOM 0 H VAL A 68 -6.987 7.748 9.910 1.00 1.75 H new ATOM 0 HA VAL A 68 -8.102 7.860 12.620 1.00 2.06 H new ATOM 0 HB VAL A 68 -6.284 5.791 11.324 1.00 2.70 H new ATOM 0 HG11 VAL A 68 -6.935 4.371 13.232 1.00 3.04 H new ATOM 0 HG12 VAL A 68 -6.091 5.846 13.760 1.00 3.04 H new ATOM 0 HG13 VAL A 68 -7.859 5.728 13.919 1.00 3.04 H new ATOM 0 HG21 VAL A 68 -8.300 4.380 11.183 1.00 3.37 H new ATOM 0 HG22 VAL A 68 -9.285 5.738 11.779 1.00 3.37 H new ATOM 0 HG23 VAL A 68 -8.457 5.861 10.208 1.00 3.37 H new ATOM 1081 N ALA A 69 -4.840 7.765 12.026 1.00 1.56 N ATOM 1082 CA ALA A 69 -3.552 8.187 12.552 1.00 1.54 C ATOM 1083 C ALA A 69 -2.470 8.106 11.482 1.00 1.33 C ATOM 1084 O ALA A 69 -2.513 7.245 10.604 1.00 1.29 O ATOM 1085 CB ALA A 69 -3.178 7.315 13.740 1.00 1.80 C ATOM 0 H ALA A 69 -4.783 7.161 11.206 1.00 1.56 H new ATOM 0 HA ALA A 69 -3.631 9.226 12.872 1.00 1.54 H new ATOM 0 HB1 ALA A 69 -2.212 7.632 14.134 1.00 1.80 H new ATOM 0 HB2 ALA A 69 -3.937 7.413 14.516 1.00 1.80 H new ATOM 0 HB3 ALA A 69 -3.117 6.274 13.422 1.00 1.80 H new ATOM 1091 N ILE A 70 -1.506 9.014 11.562 1.00 1.30 N ATOM 1092 CA ILE A 70 -0.384 9.034 10.632 1.00 1.16 C ATOM 1093 C ILE A 70 0.795 8.252 11.212 1.00 1.01 C ATOM 1094 O ILE A 70 1.659 7.764 10.483 1.00 0.94 O ATOM 1095 CB ILE A 70 0.047 10.488 10.301 1.00 1.33 C ATOM 1096 CG1 ILE A 70 1.217 10.515 9.308 1.00 1.46 C ATOM 1097 CG2 ILE A 70 0.417 11.246 11.568 1.00 1.51 C ATOM 1098 CD1 ILE A 70 0.868 10.001 7.929 1.00 1.46 C ATOM 0 H ILE A 70 -1.479 9.751 12.266 1.00 1.30 H new ATOM 0 HA ILE A 70 -0.706 8.560 9.705 1.00 1.16 H new ATOM 0 HB ILE A 70 -0.805 10.981 9.834 1.00 1.33 H new ATOM 0 HG12 ILE A 70 1.582 11.538 9.221 1.00 1.46 H new ATOM 0 HG13 ILE A 70 2.035 9.918 9.710 1.00 1.46 H new ATOM 0 HG21 ILE A 70 0.716 12.262 11.310 1.00 1.51 H new ATOM 0 HG22 ILE A 70 -0.443 11.279 12.236 1.00 1.51 H new ATOM 0 HG23 ILE A 70 1.244 10.740 12.066 1.00 1.51 H new ATOM 0 HD11 ILE A 70 1.748 10.053 7.288 1.00 1.46 H new ATOM 0 HD12 ILE A 70 0.532 8.967 8.001 1.00 1.46 H new ATOM 0 HD13 ILE A 70 0.072 10.612 7.503 1.00 1.46 H new ATOM 1110 N THR A 71 0.799 8.102 12.531 1.00 1.06 N ATOM 1111 CA THR A 71 1.864 7.390 13.220 1.00 1.05 C ATOM 1112 C THR A 71 1.698 5.878 13.083 1.00 0.90 C ATOM 1113 O THR A 71 2.502 5.102 13.599 1.00 0.89 O ATOM 1114 CB THR A 71 1.904 7.780 14.707 1.00 1.28 C ATOM 1115 OG1 THR A 71 0.575 7.782 15.241 1.00 1.47 O ATOM 1116 CG2 THR A 71 2.533 9.153 14.889 1.00 1.59 C ATOM 0 H THR A 71 0.072 8.467 13.146 1.00 1.06 H new ATOM 0 HA THR A 71 2.807 7.676 12.753 1.00 1.05 H new ATOM 0 HB THR A 71 2.511 7.049 15.240 1.00 1.28 H new ATOM 0 HG1 THR A 71 0.604 8.029 16.189 1.00 1.47 H new ATOM 0 HG21 THR A 71 2.550 9.408 15.949 1.00 1.59 H new ATOM 0 HG22 THR A 71 3.552 9.141 14.502 1.00 1.59 H new ATOM 0 HG23 THR A 71 1.948 9.896 14.347 1.00 1.59 H new ATOM 1124 N SER A 72 0.650 5.468 12.380 1.00 0.90 N ATOM 1125 CA SER A 72 0.425 4.062 12.084 1.00 0.92 C ATOM 1126 C SER A 72 1.364 3.605 10.969 1.00 0.73 C ATOM 1127 O SER A 72 1.544 2.410 10.734 1.00 0.76 O ATOM 1128 CB SER A 72 -1.031 3.843 11.677 1.00 1.15 C ATOM 1129 OG SER A 72 -1.911 4.383 12.649 1.00 1.94 O ATOM 0 H SER A 72 -0.061 6.095 12.003 1.00 0.90 H new ATOM 0 HA SER A 72 0.632 3.472 12.977 1.00 0.92 H new ATOM 0 HB2 SER A 72 -1.218 4.311 10.710 1.00 1.15 H new ATOM 0 HB3 SER A 72 -1.224 2.777 11.557 1.00 1.15 H new ATOM 0 HG SER A 72 -2.838 4.234 12.369 1.00 1.94 H new ATOM 1135 N ILE A 73 1.960 4.570 10.285 1.00 0.62 N ATOM 1136 CA ILE A 73 2.910 4.279 9.227 1.00 0.52 C ATOM 1137 C ILE A 73 4.330 4.455 9.753 1.00 0.51 C ATOM 1138 O ILE A 73 4.899 5.547 9.703 1.00 0.60 O ATOM 1139 CB ILE A 73 2.688 5.191 7.999 1.00 0.60 C ATOM 1140 CG1 ILE A 73 1.240 5.086 7.506 1.00 0.67 C ATOM 1141 CG2 ILE A 73 3.654 4.829 6.879 1.00 0.61 C ATOM 1142 CD1 ILE A 73 0.837 3.689 7.086 1.00 0.63 C ATOM 0 H ILE A 73 1.800 5.564 10.446 1.00 0.62 H new ATOM 0 HA ILE A 73 2.758 3.248 8.909 1.00 0.52 H new ATOM 0 HB ILE A 73 2.879 6.221 8.301 1.00 0.60 H new ATOM 0 HG12 ILE A 73 0.571 5.424 8.297 1.00 0.67 H new ATOM 0 HG13 ILE A 73 1.103 5.762 6.662 1.00 0.67 H new ATOM 0 HG21 ILE A 73 3.481 5.483 6.024 1.00 0.61 H new ATOM 0 HG22 ILE A 73 4.679 4.952 7.229 1.00 0.61 H new ATOM 0 HG23 ILE A 73 3.494 3.793 6.582 1.00 0.61 H new ATOM 0 HD11 ILE A 73 -0.200 3.695 6.750 1.00 0.63 H new ATOM 0 HD12 ILE A 73 1.480 3.354 6.272 1.00 0.63 H new ATOM 0 HD13 ILE A 73 0.940 3.011 7.933 1.00 0.63 H new ATOM 1154 N VAL A 74 4.884 3.378 10.289 1.00 0.49 N ATOM 1155 CA VAL A 74 6.226 3.407 10.846 1.00 0.57 C ATOM 1156 C VAL A 74 7.228 2.850 9.847 1.00 0.45 C ATOM 1157 O VAL A 74 8.170 3.535 9.441 1.00 0.52 O ATOM 1158 CB VAL A 74 6.309 2.600 12.159 1.00 0.71 C ATOM 1159 CG1 VAL A 74 7.715 2.648 12.738 1.00 0.84 C ATOM 1160 CG2 VAL A 74 5.295 3.117 13.168 1.00 0.88 C ATOM 0 H VAL A 74 4.422 2.471 10.350 1.00 0.49 H new ATOM 0 HA VAL A 74 6.467 4.448 11.063 1.00 0.57 H new ATOM 0 HB VAL A 74 6.072 1.560 11.934 1.00 0.71 H new ATOM 0 HG11 VAL A 74 7.748 2.072 13.663 1.00 0.84 H new ATOM 0 HG12 VAL A 74 8.418 2.224 12.021 1.00 0.84 H new ATOM 0 HG13 VAL A 74 7.988 3.683 12.945 1.00 0.84 H new ATOM 0 HG21 VAL A 74 5.368 2.536 14.087 1.00 0.88 H new ATOM 0 HG22 VAL A 74 5.499 4.166 13.384 1.00 0.88 H new ATOM 0 HG23 VAL A 74 4.290 3.020 12.756 1.00 0.88 H new ATOM 1170 N THR A 75 7.019 1.608 9.447 1.00 0.36 N ATOM 1171 CA THR A 75 7.899 0.964 8.493 1.00 0.34 C ATOM 1172 C THR A 75 7.267 0.947 7.110 1.00 0.31 C ATOM 1173 O THR A 75 6.054 1.139 6.975 1.00 0.33 O ATOM 1174 CB THR A 75 8.236 -0.479 8.917 1.00 0.43 C ATOM 1175 OG1 THR A 75 7.030 -1.230 9.115 1.00 0.63 O ATOM 1176 CG2 THR A 75 9.060 -0.493 10.193 1.00 0.65 C ATOM 0 H THR A 75 6.246 1.026 9.770 1.00 0.36 H new ATOM 0 HA THR A 75 8.823 1.542 8.465 1.00 0.34 H new ATOM 0 HB THR A 75 8.822 -0.936 8.120 1.00 0.43 H new ATOM 0 HG1 THR A 75 6.501 -0.817 9.829 1.00 0.63 H new ATOM 0 HG21 THR A 75 9.284 -1.523 10.470 1.00 0.65 H new ATOM 0 HG22 THR A 75 9.991 0.050 10.031 1.00 0.65 H new ATOM 0 HG23 THR A 75 8.497 -0.016 10.995 1.00 0.65 H new ATOM 1184 N VAL A 76 8.077 0.724 6.088 1.00 0.29 N ATOM 1185 CA VAL A 76 7.570 0.621 4.727 1.00 0.28 C ATOM 1186 C VAL A 76 6.592 -0.545 4.625 1.00 0.27 C ATOM 1187 O VAL A 76 5.580 -0.471 3.921 1.00 0.30 O ATOM 1188 CB VAL A 76 8.716 0.442 3.708 1.00 0.32 C ATOM 1189 CG1 VAL A 76 8.172 0.324 2.291 1.00 0.53 C ATOM 1190 CG2 VAL A 76 9.696 1.601 3.806 1.00 0.60 C ATOM 0 H VAL A 76 9.087 0.611 6.173 1.00 0.29 H new ATOM 0 HA VAL A 76 7.054 1.551 4.488 1.00 0.28 H new ATOM 0 HB VAL A 76 9.242 -0.483 3.946 1.00 0.32 H new ATOM 0 HG11 VAL A 76 9.000 0.199 1.593 1.00 0.53 H new ATOM 0 HG12 VAL A 76 7.509 -0.539 2.226 1.00 0.53 H new ATOM 0 HG13 VAL A 76 7.617 1.227 2.038 1.00 0.53 H new ATOM 0 HG21 VAL A 76 10.499 1.461 3.082 1.00 0.60 H new ATOM 0 HG22 VAL A 76 9.176 2.536 3.596 1.00 0.60 H new ATOM 0 HG23 VAL A 76 10.117 1.638 4.811 1.00 0.60 H new ATOM 1200 N ALA A 77 6.888 -1.606 5.370 1.00 0.28 N ATOM 1201 CA ALA A 77 6.024 -2.776 5.434 1.00 0.31 C ATOM 1202 C ALA A 77 4.614 -2.404 5.886 1.00 0.31 C ATOM 1203 O ALA A 77 3.638 -2.980 5.414 1.00 0.35 O ATOM 1204 CB ALA A 77 6.621 -3.817 6.369 1.00 0.36 C ATOM 0 H ALA A 77 7.729 -1.677 5.943 1.00 0.28 H new ATOM 0 HA ALA A 77 5.952 -3.196 4.431 1.00 0.31 H new ATOM 0 HB1 ALA A 77 5.967 -4.688 6.409 1.00 0.36 H new ATOM 0 HB2 ALA A 77 7.602 -4.117 6.001 1.00 0.36 H new ATOM 0 HB3 ALA A 77 6.723 -3.393 7.368 1.00 0.36 H new ATOM 1210 N ASP A 78 4.512 -1.427 6.786 1.00 0.32 N ATOM 1211 CA ASP A 78 3.213 -0.988 7.294 1.00 0.37 C ATOM 1212 C ASP A 78 2.403 -0.332 6.190 1.00 0.36 C ATOM 1213 O ASP A 78 1.229 -0.649 5.993 1.00 0.42 O ATOM 1214 CB ASP A 78 3.367 -0.003 8.454 1.00 0.44 C ATOM 1215 CG ASP A 78 4.021 -0.620 9.670 1.00 1.12 C ATOM 1216 OD1 ASP A 78 4.945 0.007 10.232 1.00 2.04 O ATOM 1217 OD2 ASP A 78 3.626 -1.737 10.066 1.00 1.01 O ATOM 0 H ASP A 78 5.310 -0.926 7.177 1.00 0.32 H new ATOM 0 HA ASP A 78 2.692 -1.875 7.655 1.00 0.37 H new ATOM 0 HB2 ASP A 78 3.960 0.850 8.123 1.00 0.44 H new ATOM 0 HB3 ASP A 78 2.385 0.380 8.731 1.00 0.44 H new ATOM 1222 N LEU A 79 3.045 0.582 5.473 1.00 0.32 N ATOM 1223 CA LEU A 79 2.407 1.289 4.372 1.00 0.34 C ATOM 1224 C LEU A 79 1.987 0.305 3.288 1.00 0.31 C ATOM 1225 O LEU A 79 0.863 0.354 2.787 1.00 0.34 O ATOM 1226 CB LEU A 79 3.369 2.332 3.791 1.00 0.40 C ATOM 1227 CG LEU A 79 2.796 3.197 2.664 1.00 0.46 C ATOM 1228 CD1 LEU A 79 1.674 4.082 3.183 1.00 0.51 C ATOM 1229 CD2 LEU A 79 3.891 4.038 2.028 1.00 0.53 C ATOM 0 H LEU A 79 4.015 0.852 5.637 1.00 0.32 H new ATOM 0 HA LEU A 79 1.519 1.797 4.748 1.00 0.34 H new ATOM 0 HB2 LEU A 79 3.698 2.987 4.598 1.00 0.40 H new ATOM 0 HB3 LEU A 79 4.254 1.817 3.417 1.00 0.40 H new ATOM 0 HG LEU A 79 2.383 2.536 1.901 1.00 0.46 H new ATOM 0 HD11 LEU A 79 1.281 4.688 2.367 1.00 0.51 H new ATOM 0 HD12 LEU A 79 0.877 3.459 3.588 1.00 0.51 H new ATOM 0 HD13 LEU A 79 2.058 4.735 3.967 1.00 0.51 H new ATOM 0 HD21 LEU A 79 3.465 4.646 1.230 1.00 0.53 H new ATOM 0 HD22 LEU A 79 4.335 4.688 2.782 1.00 0.53 H new ATOM 0 HD23 LEU A 79 4.659 3.384 1.616 1.00 0.53 H new ATOM 1241 N ALA A 80 2.897 -0.598 2.951 1.00 0.29 N ATOM 1242 CA ALA A 80 2.648 -1.593 1.922 1.00 0.33 C ATOM 1243 C ALA A 80 1.505 -2.522 2.317 1.00 0.30 C ATOM 1244 O ALA A 80 0.534 -2.662 1.578 1.00 0.34 O ATOM 1245 CB ALA A 80 3.913 -2.391 1.649 1.00 0.38 C ATOM 0 H ALA A 80 3.820 -0.660 3.380 1.00 0.29 H new ATOM 0 HA ALA A 80 2.354 -1.073 1.010 1.00 0.33 H new ATOM 0 HB1 ALA A 80 3.715 -3.134 0.876 1.00 0.38 H new ATOM 0 HB2 ALA A 80 4.702 -1.718 1.312 1.00 0.38 H new ATOM 0 HB3 ALA A 80 4.230 -2.894 2.563 1.00 0.38 H new ATOM 1251 N ARG A 81 1.613 -3.128 3.496 1.00 0.30 N ATOM 1252 CA ARG A 81 0.630 -4.106 3.959 1.00 0.35 C ATOM 1253 C ARG A 81 -0.768 -3.499 4.043 1.00 0.34 C ATOM 1254 O ARG A 81 -1.746 -4.125 3.639 1.00 0.39 O ATOM 1255 CB ARG A 81 1.034 -4.659 5.330 1.00 0.47 C ATOM 1256 CG ARG A 81 0.089 -5.723 5.870 1.00 1.33 C ATOM 1257 CD ARG A 81 0.096 -6.972 5.004 1.00 1.69 C ATOM 1258 NE ARG A 81 1.425 -7.575 4.933 1.00 2.26 N ATOM 1259 CZ ARG A 81 1.751 -8.574 4.118 1.00 3.09 C ATOM 1260 NH1 ARG A 81 0.848 -9.104 3.301 1.00 3.43 N ATOM 1261 NH2 ARG A 81 2.988 -9.046 4.124 1.00 4.06 N ATOM 0 H ARG A 81 2.375 -2.958 4.152 1.00 0.30 H new ATOM 0 HA ARG A 81 0.607 -4.917 3.231 1.00 0.35 H new ATOM 0 HB2 ARG A 81 2.037 -5.080 5.260 1.00 0.47 H new ATOM 0 HB3 ARG A 81 1.083 -3.836 6.043 1.00 0.47 H new ATOM 0 HG2 ARG A 81 0.378 -5.984 6.888 1.00 1.33 H new ATOM 0 HG3 ARG A 81 -0.923 -5.320 5.920 1.00 1.33 H new ATOM 0 HD2 ARG A 81 -0.611 -7.697 5.406 1.00 1.69 H new ATOM 0 HD3 ARG A 81 -0.243 -6.720 3.999 1.00 1.69 H new ATOM 0 HE ARG A 81 2.150 -7.206 5.548 1.00 2.26 H new ATOM 0 HH11 ARG A 81 -0.107 -8.745 3.294 1.00 3.43 H new ATOM 0 HH12 ARG A 81 1.109 -9.870 2.680 1.00 3.43 H new ATOM 0 HH21 ARG A 81 3.684 -8.644 4.751 1.00 4.06 H new ATOM 0 HH22 ARG A 81 3.245 -9.812 3.501 1.00 4.06 H new ATOM 1275 N ALA A 82 -0.849 -2.276 4.550 1.00 0.37 N ATOM 1276 CA ALA A 82 -2.132 -1.616 4.756 1.00 0.45 C ATOM 1277 C ALA A 82 -2.902 -1.457 3.448 1.00 0.49 C ATOM 1278 O ALA A 82 -4.102 -1.728 3.386 1.00 0.59 O ATOM 1279 CB ALA A 82 -1.925 -0.263 5.414 1.00 0.52 C ATOM 0 H ALA A 82 -0.040 -1.720 4.827 1.00 0.37 H new ATOM 0 HA ALA A 82 -2.728 -2.248 5.414 1.00 0.45 H new ATOM 0 HB1 ALA A 82 -2.890 0.221 5.563 1.00 0.52 H new ATOM 0 HB2 ALA A 82 -1.434 -0.398 6.378 1.00 0.52 H new ATOM 0 HB3 ALA A 82 -1.301 0.361 4.774 1.00 0.52 H new ATOM 1285 N TYR A 83 -2.211 -1.028 2.401 1.00 0.49 N ATOM 1286 CA TYR A 83 -2.860 -0.793 1.119 1.00 0.60 C ATOM 1287 C TYR A 83 -2.837 -2.036 0.235 1.00 0.62 C ATOM 1288 O TYR A 83 -3.499 -2.079 -0.799 1.00 0.77 O ATOM 1289 CB TYR A 83 -2.228 0.406 0.410 1.00 0.66 C ATOM 1290 CG TYR A 83 -2.516 1.712 1.117 1.00 0.67 C ATOM 1291 CD1 TYR A 83 -1.549 2.337 1.893 1.00 0.67 C ATOM 1292 CD2 TYR A 83 -3.767 2.308 1.025 1.00 0.83 C ATOM 1293 CE1 TYR A 83 -1.822 3.519 2.556 1.00 0.72 C ATOM 1294 CE2 TYR A 83 -4.047 3.493 1.680 1.00 0.90 C ATOM 1295 CZ TYR A 83 -3.071 4.092 2.446 1.00 0.80 C ATOM 1296 OH TYR A 83 -3.347 5.268 3.111 1.00 0.90 O ATOM 0 H TYR A 83 -1.209 -0.837 2.413 1.00 0.49 H new ATOM 0 HA TYR A 83 -3.907 -0.562 1.314 1.00 0.60 H new ATOM 0 HB2 TYR A 83 -1.150 0.260 0.347 1.00 0.66 H new ATOM 0 HB3 TYR A 83 -2.603 0.459 -0.612 1.00 0.66 H new ATOM 0 HD1 TYR A 83 -0.568 1.893 1.980 1.00 0.67 H new ATOM 0 HD2 TYR A 83 -4.536 1.837 0.431 1.00 0.83 H new ATOM 0 HE1 TYR A 83 -1.060 3.992 3.158 1.00 0.72 H new ATOM 0 HE2 TYR A 83 -5.024 3.946 1.592 1.00 0.90 H new ATOM 0 HH TYR A 83 -3.756 5.065 3.978 1.00 0.90 H new ATOM 1306 N ALA A 84 -2.081 -3.047 0.645 1.00 0.51 N ATOM 1307 CA ALA A 84 -2.095 -4.332 -0.044 1.00 0.55 C ATOM 1308 C ALA A 84 -3.269 -5.169 0.443 1.00 0.61 C ATOM 1309 O ALA A 84 -3.826 -5.980 -0.297 1.00 0.72 O ATOM 1310 CB ALA A 84 -0.787 -5.078 0.172 1.00 0.52 C ATOM 0 H ALA A 84 -1.453 -3.003 1.448 1.00 0.51 H new ATOM 0 HA ALA A 84 -2.207 -4.150 -1.113 1.00 0.55 H new ATOM 0 HB1 ALA A 84 -0.822 -6.033 -0.352 1.00 0.52 H new ATOM 0 HB2 ALA A 84 0.040 -4.482 -0.215 1.00 0.52 H new ATOM 0 HB3 ALA A 84 -0.640 -5.254 1.238 1.00 0.52 H new ATOM 1316 N GLN A 85 -3.639 -4.959 1.702 1.00 0.65 N ATOM 1317 CA GLN A 85 -4.789 -5.627 2.293 1.00 0.79 C ATOM 1318 C GLN A 85 -6.079 -4.959 1.826 1.00 0.96 C ATOM 1319 O GLN A 85 -7.165 -5.532 1.918 1.00 1.19 O ATOM 1320 CB GLN A 85 -4.686 -5.591 3.823 1.00 0.85 C ATOM 1321 CG GLN A 85 -5.811 -6.322 4.539 1.00 1.40 C ATOM 1322 CD GLN A 85 -5.876 -7.793 4.182 1.00 2.07 C ATOM 1323 OE1 GLN A 85 -5.252 -8.633 4.831 1.00 2.59 O ATOM 1324 NE2 GLN A 85 -6.638 -8.116 3.152 1.00 2.83 N ATOM 0 H GLN A 85 -3.153 -4.325 2.336 1.00 0.65 H new ATOM 0 HA GLN A 85 -4.803 -6.668 1.970 1.00 0.79 H new ATOM 0 HB2 GLN A 85 -3.734 -6.029 4.123 1.00 0.85 H new ATOM 0 HB3 GLN A 85 -4.676 -4.552 4.151 1.00 0.85 H new ATOM 0 HG2 GLN A 85 -5.677 -6.220 5.616 1.00 1.40 H new ATOM 0 HG3 GLN A 85 -6.761 -5.850 4.290 1.00 1.40 H new ATOM 0 HE21 GLN A 85 -7.139 -7.389 2.640 1.00 2.83 H new ATOM 0 HE22 GLN A 85 -6.725 -9.092 2.869 1.00 2.83 H new ATOM 1333 N GLN A 86 -5.949 -3.744 1.316 1.00 1.06 N ATOM 1334 CA GLN A 86 -7.088 -3.014 0.790 1.00 1.32 C ATOM 1335 C GLN A 86 -7.364 -3.475 -0.639 1.00 1.60 C ATOM 1336 O GLN A 86 -6.486 -4.037 -1.294 1.00 1.83 O ATOM 1337 CB GLN A 86 -6.812 -1.510 0.829 1.00 1.56 C ATOM 1338 CG GLN A 86 -8.065 -0.647 0.810 1.00 2.25 C ATOM 1339 CD GLN A 86 -8.921 -0.828 2.048 1.00 2.93 C ATOM 1340 OE1 GLN A 86 -8.712 -0.160 3.061 1.00 3.38 O ATOM 1341 NE2 GLN A 86 -9.907 -1.710 1.974 1.00 3.59 N ATOM 0 H GLN A 86 -5.063 -3.243 1.256 1.00 1.06 H new ATOM 0 HA GLN A 86 -7.966 -3.214 1.404 1.00 1.32 H new ATOM 0 HB2 GLN A 86 -6.239 -1.280 1.727 1.00 1.56 H new ATOM 0 HB3 GLN A 86 -6.188 -1.244 -0.024 1.00 1.56 H new ATOM 0 HG2 GLN A 86 -7.778 0.401 0.722 1.00 2.25 H new ATOM 0 HG3 GLN A 86 -8.655 -0.891 -0.073 1.00 2.25 H new ATOM 0 HE21 GLN A 86 -10.049 -2.245 1.117 1.00 3.59 H new ATOM 0 HE22 GLN A 86 -10.524 -1.854 2.774 1.00 3.59 H new ATOM 1350 N GLY A 87 -8.579 -3.256 -1.115 1.00 1.82 N ATOM 1351 CA GLY A 87 -8.959 -3.750 -2.425 1.00 2.21 C ATOM 1352 C GLY A 87 -9.716 -5.055 -2.311 1.00 2.47 C ATOM 1353 O GLY A 87 -10.418 -5.468 -3.234 1.00 2.96 O ATOM 0 H GLY A 87 -9.310 -2.746 -0.620 1.00 1.82 H new ATOM 0 HA2 GLY A 87 -9.577 -3.009 -2.932 1.00 2.21 H new ATOM 0 HA3 GLY A 87 -8.068 -3.894 -3.036 1.00 2.21 H new ATOM 1357 N VAL A 88 -9.560 -5.696 -1.164 1.00 2.43 N ATOM 1358 CA VAL A 88 -10.269 -6.924 -0.840 1.00 2.94 C ATOM 1359 C VAL A 88 -10.898 -6.782 0.541 1.00 3.34 C ATOM 1360 O VAL A 88 -10.403 -6.012 1.366 1.00 3.41 O ATOM 1361 CB VAL A 88 -9.323 -8.153 -0.858 1.00 3.15 C ATOM 1362 CG1 VAL A 88 -8.812 -8.418 -2.265 1.00 3.44 C ATOM 1363 CG2 VAL A 88 -8.158 -7.958 0.101 1.00 3.59 C ATOM 0 H VAL A 88 -8.933 -5.376 -0.426 1.00 2.43 H new ATOM 0 HA VAL A 88 -11.038 -7.087 -1.595 1.00 2.94 H new ATOM 0 HB VAL A 88 -9.895 -9.020 -0.528 1.00 3.15 H new ATOM 0 HG11 VAL A 88 -8.150 -9.284 -2.255 1.00 3.44 H new ATOM 0 HG12 VAL A 88 -9.655 -8.613 -2.928 1.00 3.44 H new ATOM 0 HG13 VAL A 88 -8.264 -7.547 -2.623 1.00 3.44 H new ATOM 0 HG21 VAL A 88 -7.510 -8.834 0.069 1.00 3.59 H new ATOM 0 HG22 VAL A 88 -7.590 -7.075 -0.192 1.00 3.59 H new ATOM 0 HG23 VAL A 88 -8.539 -7.825 1.114 1.00 3.59 H new ATOM 1373 N PRO A 89 -12.017 -7.479 0.796 1.00 3.89 N ATOM 1374 CA PRO A 89 -12.699 -7.435 2.091 1.00 4.51 C ATOM 1375 C PRO A 89 -11.763 -7.779 3.246 1.00 4.91 C ATOM 1376 O PRO A 89 -11.346 -8.927 3.403 1.00 5.20 O ATOM 1377 CB PRO A 89 -13.810 -8.487 1.967 1.00 5.05 C ATOM 1378 CG PRO A 89 -13.479 -9.277 0.743 1.00 4.93 C ATOM 1379 CD PRO A 89 -12.721 -8.348 -0.155 1.00 4.22 C ATOM 0 HA PRO A 89 -13.076 -6.437 2.312 1.00 4.51 H new ATOM 0 HB2 PRO A 89 -13.845 -9.127 2.849 1.00 5.05 H new ATOM 0 HB3 PRO A 89 -14.788 -8.015 1.877 1.00 5.05 H new ATOM 0 HG2 PRO A 89 -12.880 -10.153 0.994 1.00 4.93 H new ATOM 0 HG3 PRO A 89 -14.384 -9.639 0.255 1.00 4.93 H new ATOM 0 HD2 PRO A 89 -12.027 -8.886 -0.801 1.00 4.22 H new ATOM 0 HD3 PRO A 89 -13.387 -7.781 -0.805 1.00 4.22 H new ATOM 1387 N GLY A 90 -11.434 -6.775 4.042 1.00 5.15 N ATOM 1388 CA GLY A 90 -10.540 -6.968 5.166 1.00 5.78 C ATOM 1389 C GLY A 90 -10.835 -5.998 6.292 1.00 6.35 C ATOM 1390 O GLY A 90 -11.403 -6.390 7.312 1.00 6.50 O ATOM 0 H GLY A 90 -11.773 -5.820 3.929 1.00 5.15 H new ATOM 0 HA2 GLY A 90 -10.633 -7.990 5.533 1.00 5.78 H new ATOM 0 HA3 GLY A 90 -9.509 -6.840 4.837 1.00 5.78 H new ATOM 1394 N PRO A 91 -10.467 -4.715 6.133 1.00 6.96 N ATOM 1395 CA PRO A 91 -10.767 -3.677 7.127 1.00 7.73 C ATOM 1396 C PRO A 91 -12.270 -3.519 7.338 1.00 7.82 C ATOM 1397 O PRO A 91 -13.010 -3.228 6.397 1.00 7.67 O ATOM 1398 CB PRO A 91 -10.177 -2.399 6.516 1.00 8.43 C ATOM 1399 CG PRO A 91 -9.184 -2.873 5.511 1.00 8.21 C ATOM 1400 CD PRO A 91 -9.723 -4.172 4.983 1.00 7.23 C ATOM 0 HA PRO A 91 -10.353 -3.917 8.106 1.00 7.73 H new ATOM 0 HB2 PRO A 91 -10.952 -1.791 6.049 1.00 8.43 H new ATOM 0 HB3 PRO A 91 -9.703 -1.780 7.278 1.00 8.43 H new ATOM 0 HG2 PRO A 91 -9.062 -2.145 4.709 1.00 8.21 H new ATOM 0 HG3 PRO A 91 -8.203 -3.013 5.966 1.00 8.21 H new ATOM 0 HD2 PRO A 91 -10.370 -4.019 4.120 1.00 7.23 H new ATOM 0 HD3 PRO A 91 -8.923 -4.842 4.667 1.00 7.23 H new ATOM 1408 N SER A 92 -12.713 -3.734 8.569 1.00 8.30 N ATOM 1409 CA SER A 92 -14.128 -3.665 8.903 1.00 8.68 C ATOM 1410 C SER A 92 -14.645 -2.231 8.802 1.00 9.34 C ATOM 1411 O SER A 92 -14.153 -1.337 9.492 1.00 9.92 O ATOM 1412 CB SER A 92 -14.348 -4.206 10.317 1.00 9.23 C ATOM 1413 OG SER A 92 -13.504 -3.549 11.249 1.00 9.34 O ATOM 0 H SER A 92 -12.107 -3.959 9.358 1.00 8.30 H new ATOM 0 HA SER A 92 -14.683 -4.275 8.190 1.00 8.68 H new ATOM 0 HB2 SER A 92 -15.390 -4.069 10.605 1.00 9.23 H new ATOM 0 HB3 SER A 92 -14.151 -5.278 10.335 1.00 9.23 H new ATOM 0 HG SER A 92 -13.432 -2.601 11.013 1.00 9.34 H new ATOM 1419 N PRO A 93 -15.642 -1.999 7.927 1.00 9.44 N ATOM 1420 CA PRO A 93 -16.262 -0.679 7.761 1.00 10.20 C ATOM 1421 C PRO A 93 -16.939 -0.208 9.042 1.00 10.96 C ATOM 1422 O PRO A 93 -17.016 0.991 9.317 1.00 11.69 O ATOM 1423 CB PRO A 93 -17.311 -0.894 6.663 1.00 10.25 C ATOM 1424 CG PRO A 93 -16.934 -2.169 5.990 1.00 9.68 C ATOM 1425 CD PRO A 93 -16.228 -3.001 7.022 1.00 9.05 C ATOM 0 HA PRO A 93 -15.524 0.084 7.512 1.00 10.20 H new ATOM 0 HB2 PRO A 93 -18.314 -0.956 7.086 1.00 10.25 H new ATOM 0 HB3 PRO A 93 -17.314 -0.064 5.956 1.00 10.25 H new ATOM 0 HG2 PRO A 93 -17.817 -2.685 5.613 1.00 9.68 H new ATOM 0 HG3 PRO A 93 -16.286 -1.980 5.134 1.00 9.68 H new ATOM 0 HD2 PRO A 93 -16.919 -3.661 7.547 1.00 9.05 H new ATOM 0 HD3 PRO A 93 -15.462 -3.633 6.573 1.00 9.05 H new ATOM 1433 N ASP A 94 -17.437 -1.165 9.811 1.00 10.89 N ATOM 1434 CA ASP A 94 -18.080 -0.878 11.083 1.00 11.70 C ATOM 1435 C ASP A 94 -17.757 -1.976 12.093 1.00 11.90 C ATOM 1436 O ASP A 94 -18.215 -3.110 11.959 1.00 11.65 O ATOM 1437 CB ASP A 94 -19.594 -0.761 10.895 1.00 11.90 C ATOM 1438 CG ASP A 94 -20.316 -0.446 12.187 1.00 12.41 C ATOM 1439 OD1 ASP A 94 -20.528 -1.372 12.993 1.00 12.66 O ATOM 1440 OD2 ASP A 94 -20.674 0.726 12.401 1.00 12.71 O ATOM 0 H ASP A 94 -17.407 -2.156 9.572 1.00 10.89 H new ATOM 0 HA ASP A 94 -17.701 0.071 11.463 1.00 11.70 H new ATOM 0 HB2 ASP A 94 -19.807 0.019 10.164 1.00 11.90 H new ATOM 0 HB3 ASP A 94 -19.979 -1.695 10.486 1.00 11.90 H new ATOM 1445 N PRO A 95 -16.944 -1.662 13.109 1.00 12.53 N ATOM 1446 CA PRO A 95 -16.546 -2.633 14.125 1.00 12.95 C ATOM 1447 C PRO A 95 -17.555 -2.760 15.267 1.00 13.54 C ATOM 1448 O PRO A 95 -17.417 -3.623 16.132 1.00 13.87 O ATOM 1449 CB PRO A 95 -15.230 -2.052 14.638 1.00 13.63 C ATOM 1450 CG PRO A 95 -15.385 -0.575 14.496 1.00 13.65 C ATOM 1451 CD PRO A 95 -16.320 -0.344 13.333 1.00 13.03 C ATOM 0 HA PRO A 95 -16.472 -3.642 13.719 1.00 12.95 H new ATOM 0 HB2 PRO A 95 -15.051 -2.333 15.676 1.00 13.63 H new ATOM 0 HB3 PRO A 95 -14.383 -2.419 14.058 1.00 13.63 H new ATOM 0 HG2 PRO A 95 -15.789 -0.139 15.410 1.00 13.65 H new ATOM 0 HG3 PRO A 95 -14.420 -0.101 14.316 1.00 13.65 H new ATOM 0 HD2 PRO A 95 -17.066 0.416 13.565 1.00 13.03 H new ATOM 0 HD3 PRO A 95 -15.781 -0.002 12.449 1.00 13.03 H new ATOM 1459 N LEU A 96 -18.583 -1.917 15.257 1.00 13.80 N ATOM 1460 CA LEU A 96 -19.550 -1.891 16.348 1.00 14.53 C ATOM 1461 C LEU A 96 -20.616 -2.963 16.136 1.00 14.23 C ATOM 1462 O LEU A 96 -20.872 -3.785 17.020 1.00 14.80 O ATOM 1463 CB LEU A 96 -20.176 -0.494 16.459 1.00 15.02 C ATOM 1464 CG LEU A 96 -21.015 -0.234 17.716 1.00 15.61 C ATOM 1465 CD1 LEU A 96 -20.995 1.245 18.065 1.00 16.37 C ATOM 1466 CD2 LEU A 96 -22.451 -0.698 17.519 1.00 15.64 C ATOM 0 H LEU A 96 -18.767 -1.247 14.510 1.00 13.80 H new ATOM 0 HA LEU A 96 -19.040 -2.110 17.286 1.00 14.53 H new ATOM 0 HB2 LEU A 96 -19.376 0.245 16.420 1.00 15.02 H new ATOM 0 HB3 LEU A 96 -20.806 -0.329 15.585 1.00 15.02 H new ATOM 0 HG LEU A 96 -20.578 -0.803 18.537 1.00 15.61 H new ATOM 0 HD11 LEU A 96 -21.594 1.416 18.959 1.00 16.37 H new ATOM 0 HD12 LEU A 96 -19.968 1.561 18.250 1.00 16.37 H new ATOM 0 HD13 LEU A 96 -21.408 1.820 17.236 1.00 16.37 H new ATOM 0 HD21 LEU A 96 -23.024 -0.502 18.425 1.00 15.64 H new ATOM 0 HD22 LEU A 96 -22.897 -0.158 16.684 1.00 15.64 H new ATOM 0 HD23 LEU A 96 -22.462 -1.767 17.307 1.00 15.64 H new ATOM 1478 N ASP A 97 -21.209 -2.981 14.949 1.00 13.43 N ATOM 1479 CA ASP A 97 -22.201 -3.995 14.605 1.00 13.21 C ATOM 1480 C ASP A 97 -21.522 -5.333 14.368 1.00 13.07 C ATOM 1481 O ASP A 97 -22.175 -6.374 14.320 1.00 13.44 O ATOM 1482 CB ASP A 97 -23.007 -3.592 13.367 1.00 12.47 C ATOM 1483 CG ASP A 97 -24.259 -2.811 13.708 1.00 12.63 C ATOM 1484 OD1 ASP A 97 -25.328 -3.427 13.872 1.00 12.59 O ATOM 1485 OD2 ASP A 97 -24.175 -1.568 13.830 1.00 12.95 O ATOM 0 H ASP A 97 -21.021 -2.306 14.208 1.00 13.43 H new ATOM 0 HA ASP A 97 -22.892 -4.084 15.444 1.00 13.21 H new ATOM 0 HB2 ASP A 97 -22.378 -2.992 12.710 1.00 12.47 H new ATOM 0 HB3 ASP A 97 -23.284 -4.488 12.812 1.00 12.47 H new ATOM 1490 N ALA A 98 -20.204 -5.296 14.220 1.00 12.70 N ATOM 1491 CA ALA A 98 -19.412 -6.510 14.097 1.00 12.73 C ATOM 1492 C ALA A 98 -19.401 -7.252 15.425 1.00 13.69 C ATOM 1493 O ALA A 98 -19.513 -8.475 15.475 1.00 14.00 O ATOM 1494 CB ALA A 98 -17.996 -6.179 13.651 1.00 12.29 C ATOM 0 H ALA A 98 -19.660 -4.434 14.182 1.00 12.70 H new ATOM 0 HA ALA A 98 -19.861 -7.153 13.340 1.00 12.73 H new ATOM 0 HB1 ALA A 98 -17.418 -7.099 13.564 1.00 12.29 H new ATOM 0 HB2 ALA A 98 -18.027 -5.677 12.684 1.00 12.29 H new ATOM 0 HB3 ALA A 98 -17.527 -5.523 14.385 1.00 12.29 H new ATOM 1500 N GLN A 99 -19.289 -6.494 16.505 1.00 14.27 N ATOM 1501 CA GLN A 99 -19.339 -7.059 17.845 1.00 15.26 C ATOM 1502 C GLN A 99 -20.768 -7.458 18.189 1.00 15.81 C ATOM 1503 O GLN A 99 -21.011 -8.516 18.771 1.00 16.48 O ATOM 1504 CB GLN A 99 -18.825 -6.053 18.870 1.00 15.79 C ATOM 1505 CG GLN A 99 -17.384 -5.629 18.649 1.00 16.33 C ATOM 1506 CD GLN A 99 -16.932 -4.593 19.656 1.00 16.76 C ATOM 1507 OE1 GLN A 99 -17.410 -4.566 20.790 1.00 17.04 O ATOM 1508 NE2 GLN A 99 -16.014 -3.733 19.251 1.00 16.93 N ATOM 0 H GLN A 99 -19.162 -5.482 16.479 1.00 14.27 H new ATOM 0 HA GLN A 99 -18.701 -7.943 17.871 1.00 15.26 H new ATOM 0 HB2 GLN A 99 -19.461 -5.168 18.846 1.00 15.79 H new ATOM 0 HB3 GLN A 99 -18.917 -6.485 19.866 1.00 15.79 H new ATOM 0 HG2 GLN A 99 -16.736 -6.503 18.714 1.00 16.33 H new ATOM 0 HG3 GLN A 99 -17.276 -5.226 17.642 1.00 16.33 H new ATOM 0 HE21 GLN A 99 -15.644 -3.791 18.302 1.00 16.93 H new ATOM 0 HE22 GLN A 99 -15.675 -3.011 19.887 1.00 16.93 H new ATOM 1517 N LEU A 100 -21.713 -6.608 17.801 1.00 15.62 N ATOM 1518 CA LEU A 100 -23.127 -6.859 18.057 1.00 16.22 C ATOM 1519 C LEU A 100 -23.717 -7.795 17.007 1.00 16.11 C ATOM 1520 O LEU A 100 -24.935 -7.917 16.887 1.00 16.32 O ATOM 1521 CB LEU A 100 -23.912 -5.544 18.088 1.00 16.26 C ATOM 1522 CG LEU A 100 -23.513 -4.565 19.196 1.00 16.59 C ATOM 1523 CD1 LEU A 100 -24.373 -3.314 19.135 1.00 16.78 C ATOM 1524 CD2 LEU A 100 -23.633 -5.223 20.562 1.00 17.18 C ATOM 0 H LEU A 100 -21.524 -5.736 17.306 1.00 15.62 H new ATOM 0 HA LEU A 100 -23.208 -7.341 19.031 1.00 16.22 H new ATOM 0 HB2 LEU A 100 -23.791 -5.046 17.126 1.00 16.26 H new ATOM 0 HB3 LEU A 100 -24.972 -5.776 18.196 1.00 16.26 H new ATOM 0 HG LEU A 100 -22.472 -4.279 19.041 1.00 16.59 H new ATOM 0 HD11 LEU A 100 -24.076 -2.629 19.929 1.00 16.78 H new ATOM 0 HD12 LEU A 100 -24.240 -2.828 18.168 1.00 16.78 H new ATOM 0 HD13 LEU A 100 -25.421 -3.586 19.263 1.00 16.78 H new ATOM 0 HD21 LEU A 100 -23.345 -4.511 21.335 1.00 17.18 H new ATOM 0 HD22 LEU A 100 -24.664 -5.538 20.725 1.00 17.18 H new ATOM 0 HD23 LEU A 100 -22.976 -6.092 20.606 1.00 17.18 H new ATOM 1536 N ARG A 101 -22.846 -8.454 16.252 1.00 15.92 N ATOM 1537 CA ARG A 101 -23.265 -9.450 15.273 1.00 15.95 C ATOM 1538 C ARG A 101 -24.014 -10.577 15.972 1.00 16.67 C ATOM 1539 O ARG A 101 -24.961 -11.150 15.436 1.00 16.96 O ATOM 1540 CB ARG A 101 -22.041 -10.024 14.557 1.00 15.72 C ATOM 1541 CG ARG A 101 -22.373 -11.038 13.476 1.00 15.56 C ATOM 1542 CD ARG A 101 -21.148 -11.846 13.083 1.00 15.26 C ATOM 1543 NE ARG A 101 -20.655 -12.658 14.198 1.00 15.31 N ATOM 1544 CZ ARG A 101 -19.643 -13.518 14.112 1.00 15.26 C ATOM 1545 NH1 ARG A 101 -18.969 -13.654 12.975 1.00 15.16 N ATOM 1546 NH2 ARG A 101 -19.298 -14.229 15.178 1.00 15.49 N ATOM 0 H ARG A 101 -21.837 -8.315 16.300 1.00 15.92 H new ATOM 0 HA ARG A 101 -23.921 -8.974 14.544 1.00 15.95 H new ATOM 0 HB2 ARG A 101 -21.477 -9.205 14.111 1.00 15.72 H new ATOM 0 HB3 ARG A 101 -21.390 -10.495 15.294 1.00 15.72 H new ATOM 0 HG2 ARG A 101 -23.155 -11.709 13.831 1.00 15.56 H new ATOM 0 HG3 ARG A 101 -22.768 -10.523 12.600 1.00 15.56 H new ATOM 0 HD2 ARG A 101 -21.394 -12.494 12.242 1.00 15.26 H new ATOM 0 HD3 ARG A 101 -20.360 -11.172 12.747 1.00 15.26 H new ATOM 0 HE ARG A 101 -21.118 -12.558 15.101 1.00 15.31 H new ATOM 0 HH11 ARG A 101 -19.226 -13.097 12.160 1.00 15.16 H new ATOM 0 HH12 ARG A 101 -18.195 -14.315 12.917 1.00 15.16 H new ATOM 0 HH21 ARG A 101 -19.807 -14.114 16.054 1.00 15.49 H new ATOM 0 HH22 ARG A 101 -18.524 -14.890 15.121 1.00 15.49 H new ATOM 1560 N ASP A 102 -23.582 -10.867 17.187 1.00 17.07 N ATOM 1561 CA ASP A 102 -24.135 -11.963 17.965 1.00 17.84 C ATOM 1562 C ASP A 102 -25.080 -11.439 19.039 1.00 18.30 C ATOM 1563 O ASP A 102 -25.398 -12.146 19.995 1.00 18.98 O ATOM 1564 CB ASP A 102 -23.006 -12.781 18.600 1.00 18.18 C ATOM 1565 CG ASP A 102 -22.131 -13.470 17.568 1.00 18.44 C ATOM 1566 OD1 ASP A 102 -21.237 -12.806 17.004 1.00 18.58 O ATOM 1567 OD2 ASP A 102 -22.327 -14.680 17.316 1.00 18.62 O ATOM 0 H ASP A 102 -22.840 -10.352 17.661 1.00 17.07 H new ATOM 0 HA ASP A 102 -24.704 -12.609 17.296 1.00 17.84 H new ATOM 0 HB2 ASP A 102 -22.389 -12.125 19.214 1.00 18.18 H new ATOM 0 HB3 ASP A 102 -23.435 -13.530 19.265 1.00 18.18 H new ATOM 1572 N LEU A 103 -25.506 -10.187 18.888 1.00 18.02 N ATOM 1573 CA LEU A 103 -26.423 -9.570 19.839 1.00 18.52 C ATOM 1574 C LEU A 103 -27.740 -10.336 19.883 1.00 18.60 C ATOM 1575 O LEU A 103 -28.389 -10.550 18.857 1.00 18.46 O ATOM 1576 CB LEU A 103 -26.673 -8.104 19.473 1.00 18.53 C ATOM 1577 CG LEU A 103 -27.604 -7.335 20.418 1.00 18.76 C ATOM 1578 CD1 LEU A 103 -27.032 -7.297 21.828 1.00 18.95 C ATOM 1579 CD2 LEU A 103 -27.838 -5.925 19.901 1.00 19.25 C ATOM 0 H LEU A 103 -25.230 -9.581 18.115 1.00 18.02 H new ATOM 0 HA LEU A 103 -25.966 -9.606 20.828 1.00 18.52 H new ATOM 0 HB2 LEU A 103 -25.713 -7.588 19.438 1.00 18.53 H new ATOM 0 HB3 LEU A 103 -27.093 -8.066 18.468 1.00 18.53 H new ATOM 0 HG LEU A 103 -28.561 -7.856 20.453 1.00 18.76 H new ATOM 0 HD11 LEU A 103 -27.709 -6.746 22.481 1.00 18.95 H new ATOM 0 HD12 LEU A 103 -26.916 -8.315 22.201 1.00 18.95 H new ATOM 0 HD13 LEU A 103 -26.061 -6.803 21.813 1.00 18.95 H new ATOM 0 HD21 LEU A 103 -28.501 -5.393 20.583 1.00 19.25 H new ATOM 0 HD22 LEU A 103 -26.886 -5.399 19.836 1.00 19.25 H new ATOM 0 HD23 LEU A 103 -28.296 -5.971 18.913 1.00 19.25 H new ATOM 1591 N ARG A 104 -28.117 -10.756 21.074 1.00 18.97 N ATOM 1592 CA ARG A 104 -29.299 -11.575 21.268 1.00 19.25 C ATOM 1593 C ARG A 104 -30.408 -10.759 21.914 1.00 20.06 C ATOM 1594 O ARG A 104 -30.147 -9.727 22.533 1.00 20.50 O ATOM 1595 CB ARG A 104 -28.943 -12.765 22.157 1.00 19.28 C ATOM 1596 CG ARG A 104 -27.851 -13.648 21.578 1.00 19.23 C ATOM 1597 CD ARG A 104 -27.133 -14.430 22.664 1.00 19.25 C ATOM 1598 NE ARG A 104 -26.427 -13.546 23.594 1.00 19.28 N ATOM 1599 CZ ARG A 104 -25.114 -13.310 23.551 1.00 19.27 C ATOM 1600 NH1 ARG A 104 -24.360 -13.892 22.623 1.00 19.22 N ATOM 1601 NH2 ARG A 104 -24.556 -12.489 24.434 1.00 19.43 N ATOM 0 H ARG A 104 -27.614 -10.540 21.935 1.00 18.97 H new ATOM 0 HA ARG A 104 -29.652 -11.932 20.300 1.00 19.25 H new ATOM 0 HB2 ARG A 104 -28.623 -12.397 23.132 1.00 19.28 H new ATOM 0 HB3 ARG A 104 -29.837 -13.367 22.321 1.00 19.28 H new ATOM 0 HG2 ARG A 104 -28.286 -14.340 20.857 1.00 19.23 H new ATOM 0 HG3 ARG A 104 -27.133 -13.032 21.036 1.00 19.23 H new ATOM 0 HD2 ARG A 104 -27.854 -15.035 23.214 1.00 19.25 H new ATOM 0 HD3 ARG A 104 -26.423 -15.119 22.207 1.00 19.25 H new ATOM 0 HE ARG A 104 -26.973 -13.082 24.320 1.00 19.28 H new ATOM 0 HH11 ARG A 104 -24.785 -14.521 21.941 1.00 19.22 H new ATOM 0 HH12 ARG A 104 -23.357 -13.710 22.593 1.00 19.22 H new ATOM 0 HH21 ARG A 104 -25.131 -12.038 25.146 1.00 19.43 H new ATOM 0 HH22 ARG A 104 -23.553 -12.309 24.400 1.00 19.43 H new ATOM 1615 N GLN A 105 -31.640 -11.225 21.774 1.00 20.36 N ATOM 1616 CA GLN A 105 -32.775 -10.584 22.428 1.00 21.23 C ATOM 1617 C GLN A 105 -32.914 -11.098 23.860 1.00 21.37 C ATOM 1618 O GLN A 105 -34.002 -11.468 24.310 1.00 21.50 O ATOM 1619 CB GLN A 105 -34.067 -10.814 21.631 1.00 21.68 C ATOM 1620 CG GLN A 105 -34.347 -12.272 21.297 1.00 21.75 C ATOM 1621 CD GLN A 105 -35.675 -12.463 20.588 1.00 22.27 C ATOM 1622 OE1 GLN A 105 -36.706 -12.661 21.226 1.00 22.48 O ATOM 1623 NE2 GLN A 105 -35.661 -12.400 19.265 1.00 22.61 N ATOM 0 H GLN A 105 -31.881 -12.043 21.215 1.00 20.36 H new ATOM 0 HA GLN A 105 -32.596 -9.509 22.463 1.00 21.23 H new ATOM 0 HB2 GLN A 105 -34.907 -10.416 22.201 1.00 21.68 H new ATOM 0 HB3 GLN A 105 -34.013 -10.245 20.703 1.00 21.68 H new ATOM 0 HG2 GLN A 105 -33.545 -12.657 20.668 1.00 21.75 H new ATOM 0 HG3 GLN A 105 -34.342 -12.859 22.215 1.00 21.75 H new ATOM 0 HE21 GLN A 105 -34.784 -12.234 18.772 1.00 22.61 H new ATOM 0 HE22 GLN A 105 -36.527 -12.518 18.740 1.00 22.61 H new ATOM 1632 N LEU A 106 -31.795 -11.114 24.566 1.00 21.46 N ATOM 1633 CA LEU A 106 -31.745 -11.610 25.928 1.00 21.72 C ATOM 1634 C LEU A 106 -31.311 -10.495 26.866 1.00 22.33 C ATOM 1635 O LEU A 106 -32.194 -9.858 27.479 1.00 22.57 O ATOM 1636 CB LEU A 106 -30.776 -12.793 26.032 1.00 21.49 C ATOM 1637 CG LEU A 106 -31.108 -13.993 25.141 1.00 21.39 C ATOM 1638 CD1 LEU A 106 -30.018 -15.050 25.241 1.00 21.44 C ATOM 1639 CD2 LEU A 106 -32.455 -14.585 25.524 1.00 21.35 C ATOM 1640 OXT LEU A 106 -30.092 -10.247 26.972 1.00 22.66 O ATOM 0 H LEU A 106 -30.898 -10.784 24.210 1.00 21.46 H new ATOM 0 HA LEU A 106 -32.740 -11.952 26.214 1.00 21.72 H new ATOM 0 HB2 LEU A 106 -29.774 -12.443 25.783 1.00 21.49 H new ATOM 0 HB3 LEU A 106 -30.748 -13.128 27.069 1.00 21.49 H new ATOM 0 HG LEU A 106 -31.162 -13.648 24.108 1.00 21.39 H new ATOM 0 HD11 LEU A 106 -30.271 -15.895 24.601 1.00 21.44 H new ATOM 0 HD12 LEU A 106 -29.067 -14.624 24.920 1.00 21.44 H new ATOM 0 HD13 LEU A 106 -29.934 -15.389 26.273 1.00 21.44 H new ATOM 0 HD21 LEU A 106 -32.674 -15.437 24.880 1.00 21.35 H new ATOM 0 HD22 LEU A 106 -32.426 -14.913 26.563 1.00 21.35 H new ATOM 0 HD23 LEU A 106 -33.232 -13.830 25.404 1.00 21.35 H new TER 1652 LEU A 106