USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 671 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 12 THR OG1 : rot 66:sc= 1.92 USER MOD Set 1.2: A 73 THR OG1 : rot -90:sc= 0.822 USER MOD Set 2.1: A 44 HIS : no HD1:sc= 0.987 K(o=-0.25,f=-11!) USER MOD Set 2.2: A 54 GLN : amide:sc= -1.23! C(o=-0.25!,f=-8.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc=-0.000276 X(o=-0.00028,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.572 K(o=0.57,f=-8.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.146 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 79:sc= 1.25 USER MOD Single : A 37 ASN : amide:sc= -0.239 K(o=-0.24,f=-0.89) USER MOD Single : A 40 GLN : amide:sc= 1.14 K(o=1.1,f=-9.7!) USER MOD Single : A 45 SER OG : rot -139:sc= 0.145 USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.138) USER MOD Single : A 49 MET CE :methyl 142:sc= -1.24 (180deg=-4.47!) USER MOD Single : A 56 HIS : no HE2:sc= 0.388 K(o=0.39,f=-2.5!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.88 K(o=-1.9,f=-6!) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.885! (180deg=-2.04!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.229 F(o=-1.2!,f=-0.23) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -70:sc= 1.35 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.668 -10.576 -1.195 1.00 6.70 N ATOM 2 CA MET A 1 -2.969 -10.967 -0.606 1.00 6.30 C ATOM 3 C MET A 1 -3.560 -9.810 0.191 1.00 5.83 C ATOM 4 O MET A 1 -3.232 -9.616 1.366 1.00 6.14 O ATOM 5 CB MET A 1 -2.800 -12.193 0.297 1.00 6.81 C ATOM 6 CG MET A 1 -4.111 -12.878 0.640 1.00 7.17 C ATOM 7 SD MET A 1 -3.877 -14.346 1.660 1.00 7.86 S ATOM 8 CE MET A 1 -5.569 -14.697 2.138 1.00 8.54 C ATOM 0 H1 MET A 1 -1.277 -11.374 -1.735 1.00 6.70 H new ATOM 0 H2 MET A 1 -1.804 -9.763 -1.829 1.00 6.70 H new ATOM 0 H3 MET A 1 -1.007 -10.316 -0.435 1.00 6.70 H new ATOM 0 HA MET A 1 -3.652 -11.220 -1.417 1.00 6.30 H new ATOM 0 HB2 MET A 1 -2.143 -12.910 -0.196 1.00 6.81 H new ATOM 0 HB3 MET A 1 -2.306 -11.889 1.220 1.00 6.81 H new ATOM 0 HG2 MET A 1 -4.758 -12.175 1.164 1.00 7.17 H new ATOM 0 HG3 MET A 1 -4.623 -13.157 -0.281 1.00 7.17 H new ATOM 0 HE1 MET A 1 -5.591 -15.582 2.774 1.00 8.54 H new ATOM 0 HE2 MET A 1 -5.977 -13.846 2.684 1.00 8.54 H new ATOM 0 HE3 MET A 1 -6.169 -14.877 1.246 1.00 8.54 H new ATOM 20 N GLY A 2 -4.424 -9.037 -0.451 1.00 5.41 N ATOM 21 CA GLY A 2 -5.038 -7.907 0.211 1.00 5.21 C ATOM 22 C GLY A 2 -6.319 -7.482 -0.466 1.00 4.76 C ATOM 23 O GLY A 2 -6.600 -7.901 -1.590 1.00 5.03 O ATOM 0 H GLY A 2 -4.710 -9.174 -1.420 1.00 5.41 H new ATOM 0 HA2 GLY A 2 -5.245 -8.164 1.250 1.00 5.21 H new ATOM 0 HA3 GLY A 2 -4.339 -7.070 0.223 1.00 5.21 H new ATOM 27 N VAL A 3 -7.096 -6.649 0.214 1.00 4.46 N ATOM 28 CA VAL A 3 -8.357 -6.165 -0.331 1.00 4.34 C ATOM 29 C VAL A 3 -8.103 -5.231 -1.507 1.00 3.47 C ATOM 30 O VAL A 3 -7.697 -4.080 -1.335 1.00 3.74 O ATOM 31 CB VAL A 3 -9.205 -5.433 0.732 1.00 5.24 C ATOM 32 CG1 VAL A 3 -10.145 -6.409 1.422 1.00 6.05 C ATOM 33 CG2 VAL A 3 -8.322 -4.723 1.753 1.00 5.84 C ATOM 0 H VAL A 3 -6.875 -6.294 1.144 1.00 4.46 H new ATOM 0 HA VAL A 3 -8.916 -7.038 -0.667 1.00 4.34 H new ATOM 0 HB VAL A 3 -9.800 -4.674 0.224 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -10.736 -5.879 2.169 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -10.810 -6.857 0.684 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -9.563 -7.192 1.909 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -8.949 -4.217 2.487 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -7.689 -5.453 2.257 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -7.695 -3.990 1.245 1.00 5.84 H new ATOM 43 N THR A 4 -8.327 -5.740 -2.704 1.00 2.94 N ATOM 44 CA THR A 4 -8.077 -4.979 -3.913 1.00 2.60 C ATOM 45 C THR A 4 -9.364 -4.379 -4.470 1.00 2.42 C ATOM 46 O THR A 4 -9.988 -4.940 -5.373 1.00 3.09 O ATOM 47 CB THR A 4 -7.403 -5.853 -4.984 1.00 2.97 C ATOM 48 OG1 THR A 4 -6.371 -6.650 -4.382 1.00 3.36 O ATOM 49 CG2 THR A 4 -6.809 -4.988 -6.087 1.00 3.59 C ATOM 0 H THR A 4 -8.683 -6.682 -2.865 1.00 2.94 H new ATOM 0 HA THR A 4 -7.404 -4.164 -3.647 1.00 2.60 H new ATOM 0 HB THR A 4 -8.157 -6.507 -5.423 1.00 2.97 H new ATOM 0 HG1 THR A 4 -5.946 -7.206 -5.067 1.00 3.36 H new ATOM 0 HG21 THR A 4 -6.337 -5.625 -6.835 1.00 3.59 H new ATOM 0 HG22 THR A 4 -7.600 -4.403 -6.556 1.00 3.59 H new ATOM 0 HG23 THR A 4 -6.064 -4.316 -5.661 1.00 3.59 H new ATOM 57 N GLU A 5 -9.776 -3.253 -3.901 1.00 2.01 N ATOM 58 CA GLU A 5 -10.886 -2.485 -4.446 1.00 1.95 C ATOM 59 C GLU A 5 -10.362 -1.589 -5.559 1.00 2.02 C ATOM 60 O GLU A 5 -9.237 -1.093 -5.479 1.00 2.45 O ATOM 61 CB GLU A 5 -11.565 -1.631 -3.367 1.00 2.25 C ATOM 62 CG GLU A 5 -11.425 -2.172 -1.953 1.00 2.50 C ATOM 63 CD GLU A 5 -11.808 -1.146 -0.905 1.00 3.01 C ATOM 64 OE1 GLU A 5 -10.964 -0.288 -0.569 1.00 3.44 O ATOM 65 OE2 GLU A 5 -12.955 -1.190 -0.411 1.00 3.47 O ATOM 0 H GLU A 5 -9.357 -2.852 -3.062 1.00 2.01 H new ATOM 0 HA GLU A 5 -11.632 -3.178 -4.835 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -11.146 -0.625 -3.401 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -12.625 -1.543 -3.605 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -12.053 -3.055 -1.840 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -10.396 -2.490 -1.788 1.00 2.50 H new ATOM 72 N ALA A 6 -11.150 -1.389 -6.597 1.00 1.93 N ATOM 73 CA ALA A 6 -10.702 -0.593 -7.727 1.00 2.21 C ATOM 74 C ALA A 6 -11.700 0.503 -8.065 1.00 1.87 C ATOM 75 O ALA A 6 -12.907 0.317 -7.928 1.00 2.34 O ATOM 76 CB ALA A 6 -10.471 -1.484 -8.937 1.00 3.01 C ATOM 0 H ALA A 6 -12.095 -1.762 -6.683 1.00 1.93 H new ATOM 0 HA ALA A 6 -9.762 -0.116 -7.449 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -10.136 -0.876 -9.778 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -9.710 -2.228 -8.701 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -11.401 -1.987 -9.201 1.00 3.01 H new ATOM 82 N GLN A 7 -11.186 1.638 -8.529 1.00 1.57 N ATOM 83 CA GLN A 7 -12.024 2.749 -8.974 1.00 1.65 C ATOM 84 C GLN A 7 -12.546 2.481 -10.387 1.00 1.53 C ATOM 85 O GLN A 7 -12.662 3.389 -11.211 1.00 1.80 O ATOM 86 CB GLN A 7 -11.226 4.060 -8.942 1.00 2.14 C ATOM 87 CG GLN A 7 -12.075 5.292 -8.684 1.00 2.64 C ATOM 88 CD GLN A 7 -11.540 6.140 -7.548 1.00 3.04 C ATOM 89 OE1 GLN A 7 -10.438 6.686 -7.629 1.00 3.51 O ATOM 90 NE2 GLN A 7 -12.314 6.254 -6.480 1.00 3.49 N ATOM 0 H GLN A 7 -10.184 1.814 -8.607 1.00 1.57 H new ATOM 0 HA GLN A 7 -12.874 2.841 -8.298 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -10.461 3.989 -8.168 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -10.707 4.181 -9.893 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -12.121 5.894 -9.592 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -13.095 4.984 -8.454 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -13.220 5.785 -6.454 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -12.005 6.811 -5.683 1.00 3.49 H new ATOM 99 N TYR A 8 -12.859 1.221 -10.647 1.00 1.48 N ATOM 100 CA TYR A 8 -13.318 0.773 -11.951 1.00 1.47 C ATOM 101 C TYR A 8 -14.195 -0.460 -11.775 1.00 1.56 C ATOM 102 O TYR A 8 -14.089 -1.438 -12.517 1.00 2.27 O ATOM 103 CB TYR A 8 -12.123 0.455 -12.857 1.00 1.61 C ATOM 104 CG TYR A 8 -12.410 0.612 -14.331 1.00 1.62 C ATOM 105 CD1 TYR A 8 -12.768 1.843 -14.864 1.00 1.71 C ATOM 106 CD2 TYR A 8 -12.322 -0.475 -15.189 1.00 1.79 C ATOM 107 CE1 TYR A 8 -13.028 1.987 -16.212 1.00 1.89 C ATOM 108 CE2 TYR A 8 -12.580 -0.339 -16.540 1.00 2.00 C ATOM 109 CZ TYR A 8 -12.935 0.893 -17.046 1.00 2.01 C ATOM 110 OH TYR A 8 -13.198 1.030 -18.392 1.00 2.32 O ATOM 0 H TYR A 8 -12.801 0.476 -9.953 1.00 1.48 H new ATOM 0 HA TYR A 8 -13.899 1.565 -12.423 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -11.292 1.107 -12.588 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -11.799 -0.568 -12.668 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -12.844 2.702 -14.213 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -12.048 -1.442 -14.795 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -13.303 2.952 -16.611 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -12.504 -1.194 -17.196 1.00 2.00 H new ATOM 0 HH TYR A 8 -13.086 0.164 -18.837 1.00 2.32 H new ATOM 120 N VAL A 9 -15.062 -0.401 -10.777 1.00 1.35 N ATOM 121 CA VAL A 9 -15.919 -1.522 -10.435 1.00 1.47 C ATOM 122 C VAL A 9 -17.338 -1.281 -10.964 1.00 1.51 C ATOM 123 O VAL A 9 -18.337 -1.659 -10.352 1.00 2.13 O ATOM 124 CB VAL A 9 -15.911 -1.772 -8.901 1.00 1.74 C ATOM 125 CG1 VAL A 9 -16.584 -0.633 -8.147 1.00 2.00 C ATOM 126 CG2 VAL A 9 -16.548 -3.115 -8.554 1.00 2.05 C ATOM 0 H VAL A 9 -15.190 0.420 -10.185 1.00 1.35 H new ATOM 0 HA VAL A 9 -15.532 -2.423 -10.911 1.00 1.47 H new ATOM 0 HB VAL A 9 -14.869 -1.807 -8.582 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -16.560 -0.841 -7.077 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -16.055 0.299 -8.347 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -17.619 -0.540 -8.476 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -16.527 -3.260 -7.474 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -17.581 -3.128 -8.902 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -15.992 -3.918 -9.038 1.00 2.05 H new ATOM 136 N ALA A 10 -17.410 -0.638 -12.121 1.00 1.41 N ATOM 137 CA ALA A 10 -18.680 -0.397 -12.783 1.00 1.50 C ATOM 138 C ALA A 10 -19.086 -1.627 -13.587 1.00 1.34 C ATOM 139 O ALA A 10 -18.427 -1.981 -14.565 1.00 1.73 O ATOM 140 CB ALA A 10 -18.584 0.828 -13.682 1.00 2.09 C ATOM 0 H ALA A 10 -16.599 -0.273 -12.621 1.00 1.41 H new ATOM 0 HA ALA A 10 -19.444 -0.206 -12.029 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -19.543 0.996 -14.171 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -18.325 1.700 -13.082 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -17.815 0.666 -14.437 1.00 2.09 H new ATOM 146 N PRO A 11 -20.162 -2.307 -13.166 1.00 1.24 N ATOM 147 CA PRO A 11 -20.628 -3.530 -13.818 1.00 1.52 C ATOM 148 C PRO A 11 -21.118 -3.272 -15.235 1.00 1.50 C ATOM 149 O PRO A 11 -21.907 -2.354 -15.481 1.00 1.83 O ATOM 150 CB PRO A 11 -21.788 -4.003 -12.932 1.00 1.87 C ATOM 151 CG PRO A 11 -21.633 -3.254 -11.652 1.00 1.88 C ATOM 152 CD PRO A 11 -21.009 -1.943 -12.025 1.00 1.45 C ATOM 0 HA PRO A 11 -19.829 -4.265 -13.915 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.751 -3.792 -13.398 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -21.743 -5.079 -12.766 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -22.597 -3.105 -11.166 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -21.004 -3.802 -10.951 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -21.758 -1.200 -12.297 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -20.426 -1.523 -11.205 1.00 1.45 H new ATOM 160 N THR A 12 -20.646 -4.086 -16.162 1.00 1.33 N ATOM 161 CA THR A 12 -21.055 -3.979 -17.549 1.00 1.44 C ATOM 162 C THR A 12 -22.140 -5.005 -17.853 1.00 1.40 C ATOM 163 O THR A 12 -22.630 -5.107 -18.983 1.00 1.90 O ATOM 164 CB THR A 12 -19.860 -4.192 -18.497 1.00 1.69 C ATOM 165 OG1 THR A 12 -18.712 -4.648 -17.761 1.00 1.79 O ATOM 166 CG2 THR A 12 -19.518 -2.902 -19.223 1.00 2.04 C ATOM 0 H THR A 12 -19.975 -4.832 -15.977 1.00 1.33 H new ATOM 0 HA THR A 12 -21.447 -2.975 -17.710 1.00 1.44 H new ATOM 0 HB THR A 12 -20.140 -4.949 -19.230 1.00 1.69 H new ATOM 0 HG1 THR A 12 -18.888 -5.543 -17.403 1.00 1.79 H new ATOM 0 HG21 THR A 12 -18.671 -3.072 -19.888 1.00 2.04 H new ATOM 0 HG22 THR A 12 -20.378 -2.574 -19.807 1.00 2.04 H new ATOM 0 HG23 THR A 12 -19.259 -2.133 -18.496 1.00 2.04 H new ATOM 174 N ASN A 13 -22.505 -5.762 -16.825 1.00 1.11 N ATOM 175 CA ASN A 13 -23.516 -6.802 -16.938 1.00 1.23 C ATOM 176 C ASN A 13 -24.097 -7.104 -15.556 1.00 1.03 C ATOM 177 O ASN A 13 -23.404 -6.977 -14.548 1.00 1.32 O ATOM 178 CB ASN A 13 -22.895 -8.050 -17.596 1.00 1.71 C ATOM 179 CG ASN A 13 -23.016 -9.326 -16.784 1.00 1.80 C ATOM 180 OD1 ASN A 13 -24.092 -9.914 -16.684 1.00 2.19 O ATOM 181 ND2 ASN A 13 -21.903 -9.782 -16.224 1.00 2.24 N ATOM 0 H ASN A 13 -22.107 -5.671 -15.890 1.00 1.11 H new ATOM 0 HA ASN A 13 -24.337 -6.468 -17.572 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -23.370 -8.206 -18.565 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -21.839 -7.856 -17.786 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -21.920 -10.649 -15.688 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -21.030 -9.265 -16.330 1.00 2.24 H new ATOM 188 N ALA A 14 -25.373 -7.481 -15.517 1.00 1.04 N ATOM 189 CA ALA A 14 -26.092 -7.689 -14.256 1.00 1.05 C ATOM 190 C ALA A 14 -25.455 -8.785 -13.403 1.00 0.96 C ATOM 191 O ALA A 14 -25.466 -8.713 -12.170 1.00 0.91 O ATOM 192 CB ALA A 14 -27.548 -8.020 -14.535 1.00 1.42 C ATOM 0 H ALA A 14 -25.937 -7.651 -16.350 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.032 -6.761 -13.688 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.074 -8.173 -13.592 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -28.011 -7.196 -15.079 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -27.606 -8.929 -15.134 1.00 1.42 H new ATOM 198 N VAL A 15 -24.893 -9.793 -14.058 1.00 1.05 N ATOM 199 CA VAL A 15 -24.255 -10.899 -13.354 1.00 1.12 C ATOM 200 C VAL A 15 -22.984 -10.423 -12.650 1.00 0.97 C ATOM 201 O VAL A 15 -22.580 -10.989 -11.636 1.00 0.96 O ATOM 202 CB VAL A 15 -23.920 -12.066 -14.313 1.00 1.38 C ATOM 203 CG1 VAL A 15 -23.347 -13.258 -13.552 1.00 1.45 C ATOM 204 CG2 VAL A 15 -25.157 -12.479 -15.097 1.00 1.99 C ATOM 0 H VAL A 15 -24.866 -9.868 -15.075 1.00 1.05 H new ATOM 0 HA VAL A 15 -24.962 -11.265 -12.610 1.00 1.12 H new ATOM 0 HB VAL A 15 -23.160 -11.719 -15.014 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -23.121 -14.062 -14.252 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -22.434 -12.957 -13.039 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -24.076 -13.607 -12.821 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -24.905 -13.301 -15.767 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -25.936 -12.800 -14.405 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -25.517 -11.632 -15.681 1.00 1.99 H new ATOM 214 N GLU A 16 -22.380 -9.363 -13.177 1.00 0.95 N ATOM 215 CA GLU A 16 -21.162 -8.804 -12.601 1.00 0.94 C ATOM 216 C GLU A 16 -21.434 -8.268 -11.203 1.00 0.83 C ATOM 217 O GLU A 16 -20.711 -8.577 -10.256 1.00 0.86 O ATOM 218 CB GLU A 16 -20.625 -7.675 -13.480 1.00 1.06 C ATOM 219 CG GLU A 16 -19.325 -8.009 -14.186 1.00 1.37 C ATOM 220 CD GLU A 16 -19.364 -7.657 -15.658 1.00 1.45 C ATOM 221 OE1 GLU A 16 -19.327 -6.454 -15.983 1.00 1.53 O ATOM 222 OE2 GLU A 16 -19.414 -8.582 -16.495 1.00 1.93 O ATOM 0 H GLU A 16 -22.716 -8.872 -14.006 1.00 0.95 H new ATOM 0 HA GLU A 16 -20.418 -9.599 -12.543 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -21.377 -7.420 -14.227 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -20.475 -6.789 -12.864 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -18.506 -7.472 -13.708 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -19.116 -9.073 -14.074 1.00 1.37 H new ATOM 229 N SER A 17 -22.492 -7.474 -11.085 1.00 0.83 N ATOM 230 CA SER A 17 -22.856 -6.854 -9.819 1.00 0.89 C ATOM 231 C SER A 17 -23.246 -7.901 -8.782 1.00 0.85 C ATOM 232 O SER A 17 -22.882 -7.793 -7.610 1.00 0.88 O ATOM 233 CB SER A 17 -24.010 -5.876 -10.045 1.00 1.09 C ATOM 234 OG SER A 17 -24.272 -5.724 -11.433 1.00 1.48 O ATOM 0 H SER A 17 -23.116 -7.244 -11.858 1.00 0.83 H new ATOM 0 HA SER A 17 -21.990 -6.315 -9.435 1.00 0.89 H new ATOM 0 HB2 SER A 17 -24.905 -6.237 -9.538 1.00 1.09 H new ATOM 0 HB3 SER A 17 -23.765 -4.908 -9.608 1.00 1.09 H new ATOM 0 HG SER A 17 -25.014 -5.096 -11.559 1.00 1.48 H new ATOM 240 N LYS A 18 -23.979 -8.917 -9.220 1.00 0.85 N ATOM 241 CA LYS A 18 -24.443 -9.967 -8.320 1.00 0.92 C ATOM 242 C LYS A 18 -23.282 -10.837 -7.846 1.00 0.84 C ATOM 243 O LYS A 18 -23.153 -11.123 -6.653 1.00 0.85 O ATOM 244 CB LYS A 18 -25.491 -10.835 -9.018 1.00 1.07 C ATOM 245 CG LYS A 18 -26.833 -10.849 -8.308 1.00 1.38 C ATOM 246 CD LYS A 18 -27.763 -9.773 -8.848 1.00 1.76 C ATOM 247 CE LYS A 18 -28.852 -9.424 -7.848 1.00 2.42 C ATOM 248 NZ LYS A 18 -29.912 -10.460 -7.799 1.00 2.96 N ATOM 0 H LYS A 18 -24.265 -9.037 -10.192 1.00 0.85 H new ATOM 0 HA LYS A 18 -24.892 -9.490 -7.449 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -25.631 -10.474 -10.037 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.116 -11.856 -9.091 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -27.299 -11.827 -8.428 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -26.682 -10.697 -7.239 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -27.187 -8.879 -9.087 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -28.218 -10.117 -9.777 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -28.412 -9.308 -6.858 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -29.295 -8.464 -8.114 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -30.636 -10.184 -7.105 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -30.350 -10.553 -8.738 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -29.495 -11.371 -7.520 1.00 2.96 H new ATOM 262 N LEU A 19 -22.442 -11.249 -8.788 1.00 0.82 N ATOM 263 CA LEU A 19 -21.309 -12.117 -8.493 1.00 0.84 C ATOM 264 C LEU A 19 -20.317 -11.427 -7.571 1.00 0.80 C ATOM 265 O LEU A 19 -19.991 -11.944 -6.506 1.00 0.82 O ATOM 266 CB LEU A 19 -20.609 -12.537 -9.786 1.00 0.96 C ATOM 267 CG LEU A 19 -20.298 -14.029 -9.908 1.00 1.16 C ATOM 268 CD1 LEU A 19 -21.574 -14.851 -9.803 1.00 1.73 C ATOM 269 CD2 LEU A 19 -19.578 -14.313 -11.218 1.00 1.81 C ATOM 0 H LEU A 19 -22.526 -10.993 -9.772 1.00 0.82 H new ATOM 0 HA LEU A 19 -21.690 -13.004 -7.988 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.234 -12.243 -10.629 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -19.676 -11.980 -9.871 1.00 0.96 H new ATOM 0 HG LEU A 19 -19.642 -14.316 -9.086 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -21.333 -15.910 -9.892 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -22.047 -14.666 -8.839 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -22.257 -14.566 -10.603 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -19.363 -15.379 -11.291 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -20.210 -14.012 -12.053 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -18.644 -13.752 -11.249 1.00 1.81 H new ATOM 281 N ALA A 20 -19.863 -10.243 -7.976 1.00 0.82 N ATOM 282 CA ALA A 20 -18.864 -9.500 -7.214 1.00 0.91 C ATOM 283 C ALA A 20 -19.371 -9.153 -5.821 1.00 0.84 C ATOM 284 O ALA A 20 -18.588 -9.030 -4.881 1.00 0.87 O ATOM 285 CB ALA A 20 -18.460 -8.235 -7.958 1.00 1.08 C ATOM 0 H ALA A 20 -20.172 -9.777 -8.829 1.00 0.82 H new ATOM 0 HA ALA A 20 -17.989 -10.140 -7.102 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -17.715 -7.693 -7.376 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.040 -8.502 -8.928 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -19.336 -7.603 -8.104 1.00 1.08 H new ATOM 291 N GLU A 21 -20.680 -8.996 -5.688 1.00 0.85 N ATOM 292 CA GLU A 21 -21.272 -8.689 -4.397 1.00 0.94 C ATOM 293 C GLU A 21 -21.156 -9.882 -3.455 1.00 0.84 C ATOM 294 O GLU A 21 -20.417 -9.832 -2.475 1.00 0.85 O ATOM 295 CB GLU A 21 -22.737 -8.286 -4.553 1.00 1.13 C ATOM 296 CG GLU A 21 -23.009 -6.832 -4.201 1.00 1.72 C ATOM 297 CD GLU A 21 -23.053 -6.586 -2.706 1.00 2.05 C ATOM 298 OE1 GLU A 21 -22.112 -7.002 -2.001 1.00 2.69 O ATOM 299 OE2 GLU A 21 -24.024 -5.974 -2.220 1.00 2.14 O ATOM 0 H GLU A 21 -21.348 -9.076 -6.455 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.725 -7.849 -3.968 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -23.047 -8.466 -5.582 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.351 -8.926 -3.919 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -22.236 -6.205 -4.645 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -23.958 -6.528 -4.642 1.00 1.72 H new ATOM 306 N ILE A 22 -21.868 -10.962 -3.775 1.00 0.83 N ATOM 307 CA ILE A 22 -21.912 -12.141 -2.911 1.00 0.91 C ATOM 308 C ILE A 22 -20.516 -12.725 -2.694 1.00 0.82 C ATOM 309 O ILE A 22 -20.113 -12.996 -1.555 1.00 0.86 O ATOM 310 CB ILE A 22 -22.844 -13.232 -3.494 1.00 1.09 C ATOM 311 CG1 ILE A 22 -24.296 -12.739 -3.510 1.00 1.25 C ATOM 312 CG2 ILE A 22 -22.727 -14.530 -2.701 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.847 -12.419 -2.134 1.00 1.91 C ATOM 0 H ILE A 22 -22.423 -11.045 -4.627 1.00 0.83 H new ATOM 0 HA ILE A 22 -22.310 -11.815 -1.950 1.00 0.91 H new ATOM 0 HB ILE A 22 -22.533 -13.435 -4.519 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -24.361 -11.847 -4.134 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -24.923 -13.499 -3.975 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -23.391 -15.280 -3.130 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -21.699 -14.890 -2.742 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -23.007 -14.349 -1.663 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.878 -12.077 -2.225 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -24.816 -13.314 -1.512 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -24.244 -11.636 -1.674 1.00 1.91 H new ATOM 325 N TRP A 23 -19.776 -12.888 -3.786 1.00 0.79 N ATOM 326 CA TRP A 23 -18.446 -13.477 -3.727 1.00 0.84 C ATOM 327 C TRP A 23 -17.547 -12.683 -2.792 1.00 0.82 C ATOM 328 O TRP A 23 -16.880 -13.251 -1.926 1.00 0.94 O ATOM 329 CB TRP A 23 -17.821 -13.537 -5.121 1.00 0.90 C ATOM 330 CG TRP A 23 -17.931 -14.884 -5.763 1.00 0.98 C ATOM 331 CD1 TRP A 23 -19.022 -15.407 -6.391 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.906 -15.879 -5.844 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.740 -16.670 -6.853 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.446 -16.980 -6.532 1.00 1.14 C ATOM 335 CE3 TRP A 23 -15.583 -15.943 -5.400 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -16.710 -18.132 -6.785 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -14.852 -17.087 -5.657 1.00 1.16 C ATOM 338 CH2 TRP A 23 -15.417 -18.167 -6.344 1.00 1.24 C ATOM 0 H TRP A 23 -20.077 -12.620 -4.723 1.00 0.79 H new ATOM 0 HA TRP A 23 -18.545 -14.492 -3.341 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -18.304 -12.798 -5.760 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -16.769 -13.260 -5.052 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -19.970 -14.902 -6.508 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -19.389 -17.277 -7.353 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.140 -15.115 -4.867 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -17.144 -18.969 -7.311 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -13.827 -17.149 -5.322 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -14.819 -19.047 -6.530 1.00 1.24 H new ATOM 349 N GLU A 24 -17.569 -11.363 -2.933 1.00 0.80 N ATOM 350 CA GLU A 24 -16.693 -10.511 -2.148 1.00 0.93 C ATOM 351 C GLU A 24 -17.340 -10.096 -0.830 1.00 0.90 C ATOM 352 O GLU A 24 -17.068 -9.022 -0.298 1.00 1.04 O ATOM 353 CB GLU A 24 -16.247 -9.292 -2.951 1.00 1.20 C ATOM 354 CG GLU A 24 -15.101 -9.596 -3.909 1.00 1.75 C ATOM 355 CD GLU A 24 -13.895 -10.205 -3.210 1.00 2.29 C ATOM 356 OE1 GLU A 24 -13.992 -11.347 -2.710 1.00 2.78 O ATOM 357 OE2 GLU A 24 -12.850 -9.529 -3.139 1.00 2.65 O ATOM 0 H GLU A 24 -18.180 -10.865 -3.580 1.00 0.80 H new ATOM 0 HA GLU A 24 -15.806 -11.095 -1.903 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -17.095 -8.907 -3.518 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -15.939 -8.504 -2.264 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -15.451 -10.280 -4.682 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -14.799 -8.677 -4.410 1.00 1.75 H new ATOM 364 N ARG A 25 -18.227 -10.941 -0.330 1.00 0.97 N ATOM 365 CA ARG A 25 -18.630 -10.883 1.068 1.00 1.16 C ATOM 366 C ARG A 25 -18.166 -12.159 1.746 1.00 1.21 C ATOM 367 O ARG A 25 -18.143 -12.264 2.971 1.00 1.50 O ATOM 368 CB ARG A 25 -20.146 -10.771 1.240 1.00 1.41 C ATOM 369 CG ARG A 25 -20.801 -9.634 0.482 1.00 1.99 C ATOM 370 CD ARG A 25 -22.209 -10.024 0.066 1.00 2.67 C ATOM 371 NE ARG A 25 -23.029 -8.875 -0.304 1.00 3.12 N ATOM 372 CZ ARG A 25 -24.265 -8.663 0.149 1.00 3.67 C ATOM 373 NH1 ARG A 25 -24.799 -9.501 1.034 1.00 3.90 N ATOM 374 NH2 ARG A 25 -24.960 -7.614 -0.277 1.00 4.40 N ATOM 0 H ARG A 25 -18.683 -11.676 -0.871 1.00 0.97 H new ATOM 0 HA ARG A 25 -18.180 -9.994 1.510 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -20.602 -11.708 0.921 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -20.367 -10.654 2.301 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -20.833 -8.741 1.107 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -20.209 -9.386 -0.399 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -22.156 -10.713 -0.777 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -22.690 -10.559 0.885 1.00 2.67 H new ATOM 0 HE ARG A 25 -22.632 -8.192 -0.949 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -24.263 -10.303 1.364 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -25.744 -9.341 1.382 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -24.548 -6.969 -0.952 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -25.905 -7.453 0.071 1.00 4.40 H new ATOM 388 N VAL A 26 -17.795 -13.132 0.919 1.00 1.11 N ATOM 389 CA VAL A 26 -17.464 -14.463 1.400 1.00 1.34 C ATOM 390 C VAL A 26 -15.971 -14.767 1.248 1.00 1.36 C ATOM 391 O VAL A 26 -15.367 -15.399 2.120 1.00 1.78 O ATOM 392 CB VAL A 26 -18.295 -15.530 0.647 1.00 1.54 C ATOM 393 CG1 VAL A 26 -17.914 -16.936 1.077 1.00 2.01 C ATOM 394 CG2 VAL A 26 -19.783 -15.299 0.866 1.00 1.66 C ATOM 0 H VAL A 26 -17.717 -13.019 -0.092 1.00 1.11 H new ATOM 0 HA VAL A 26 -17.708 -14.495 2.462 1.00 1.34 H new ATOM 0 HB VAL A 26 -18.074 -15.432 -0.416 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -18.517 -17.660 0.529 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -16.859 -17.108 0.865 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -18.093 -17.051 2.146 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -20.352 -16.058 0.329 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -20.008 -15.362 1.931 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -20.056 -14.311 0.495 1.00 1.66 H new ATOM 404 N LEU A 27 -15.374 -14.310 0.153 1.00 1.20 N ATOM 405 CA LEU A 27 -13.978 -14.618 -0.133 1.00 1.40 C ATOM 406 C LEU A 27 -13.035 -13.503 0.330 1.00 1.42 C ATOM 407 O LEU A 27 -12.681 -13.433 1.510 1.00 1.89 O ATOM 408 CB LEU A 27 -13.792 -14.882 -1.628 1.00 1.51 C ATOM 409 CG LEU A 27 -12.956 -16.117 -1.966 1.00 2.02 C ATOM 410 CD1 LEU A 27 -13.846 -17.337 -2.132 1.00 2.17 C ATOM 411 CD2 LEU A 27 -12.144 -15.882 -3.228 1.00 2.85 C ATOM 0 H LEU A 27 -15.832 -13.728 -0.548 1.00 1.20 H new ATOM 0 HA LEU A 27 -13.720 -15.516 0.428 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -14.774 -14.990 -2.088 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -13.322 -14.009 -2.080 1.00 1.51 H new ATOM 0 HG LEU A 27 -12.269 -16.300 -1.140 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -13.232 -18.205 -2.372 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -14.388 -17.521 -1.204 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -14.557 -17.161 -2.939 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -11.555 -16.771 -3.453 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -12.817 -15.672 -4.060 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -11.476 -15.033 -3.078 1.00 2.85 H new ATOM 423 N GLY A 28 -12.648 -12.625 -0.591 1.00 1.29 N ATOM 424 CA GLY A 28 -11.642 -11.621 -0.285 1.00 1.52 C ATOM 425 C GLY A 28 -12.245 -10.364 0.298 1.00 1.37 C ATOM 426 O GLY A 28 -11.594 -9.655 1.072 1.00 1.73 O ATOM 0 H GLY A 28 -13.012 -12.590 -1.543 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -10.921 -12.036 0.419 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -11.094 -11.371 -1.193 1.00 1.52 H new ATOM 430 N VAL A 29 -13.494 -10.100 -0.070 1.00 1.31 N ATOM 431 CA VAL A 29 -14.242 -8.950 0.433 1.00 1.31 C ATOM 432 C VAL A 29 -13.584 -7.638 -0.008 1.00 1.43 C ATOM 433 O VAL A 29 -13.482 -6.678 0.759 1.00 1.90 O ATOM 434 CB VAL A 29 -14.408 -8.985 1.979 1.00 1.49 C ATOM 435 CG1 VAL A 29 -15.542 -8.071 2.428 1.00 1.78 C ATOM 436 CG2 VAL A 29 -14.665 -10.404 2.474 1.00 1.92 C ATOM 0 H VAL A 29 -14.019 -10.678 -0.727 1.00 1.31 H new ATOM 0 HA VAL A 29 -15.241 -9.006 -0.000 1.00 1.31 H new ATOM 0 HB VAL A 29 -13.474 -8.628 2.413 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -15.636 -8.114 3.513 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -15.326 -7.047 2.123 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -16.475 -8.397 1.969 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -14.777 -10.396 3.558 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -15.577 -10.789 2.018 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -13.825 -11.043 2.200 1.00 1.92 H new ATOM 446 N SER A 30 -13.139 -7.606 -1.258 1.00 1.40 N ATOM 447 CA SER A 30 -12.520 -6.415 -1.822 1.00 1.56 C ATOM 448 C SER A 30 -13.527 -5.609 -2.651 1.00 1.53 C ATOM 449 O SER A 30 -14.318 -4.842 -2.103 1.00 2.21 O ATOM 450 CB SER A 30 -11.317 -6.809 -2.681 1.00 1.76 C ATOM 451 OG SER A 30 -10.814 -8.080 -2.309 1.00 1.94 O ATOM 0 H SER A 30 -13.196 -8.395 -1.902 1.00 1.40 H new ATOM 0 HA SER A 30 -12.181 -5.783 -1.001 1.00 1.56 H new ATOM 0 HB2 SER A 30 -11.607 -6.823 -3.732 1.00 1.76 H new ATOM 0 HB3 SER A 30 -10.532 -6.060 -2.577 1.00 1.76 H new ATOM 0 HG SER A 30 -11.375 -8.781 -2.701 1.00 1.94 H new ATOM 457 N GLY A 31 -13.502 -5.793 -3.969 1.00 1.30 N ATOM 458 CA GLY A 31 -14.374 -5.033 -4.844 1.00 1.27 C ATOM 459 C GLY A 31 -13.671 -4.632 -6.124 1.00 1.21 C ATOM 460 O GLY A 31 -13.261 -3.481 -6.283 1.00 1.58 O ATOM 0 H GLY A 31 -12.891 -6.457 -4.446 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -15.256 -5.627 -5.084 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -14.722 -4.140 -4.325 1.00 1.27 H new ATOM 464 N ILE A 32 -13.523 -5.580 -7.036 1.00 1.13 N ATOM 465 CA ILE A 32 -12.792 -5.339 -8.268 1.00 1.29 C ATOM 466 C ILE A 32 -13.696 -5.500 -9.494 1.00 1.38 C ATOM 467 O ILE A 32 -14.447 -6.473 -9.607 1.00 2.01 O ATOM 468 CB ILE A 32 -11.560 -6.274 -8.375 1.00 1.71 C ATOM 469 CG1 ILE A 32 -10.706 -5.902 -9.590 1.00 2.68 C ATOM 470 CG2 ILE A 32 -11.980 -7.738 -8.438 1.00 2.03 C ATOM 471 CD1 ILE A 32 -9.393 -5.246 -9.221 1.00 3.56 C ATOM 0 H ILE A 32 -13.900 -6.523 -6.945 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.440 -4.308 -8.243 1.00 1.29 H new ATOM 0 HB ILE A 32 -10.959 -6.140 -7.476 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -10.504 -6.801 -10.172 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -11.273 -5.228 -10.231 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -11.094 -8.368 -8.513 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -12.534 -7.997 -7.536 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -12.613 -7.898 -9.311 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -8.837 -5.008 -10.128 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -9.588 -4.329 -8.664 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -8.807 -5.927 -8.604 1.00 3.56 H new ATOM 483 N GLY A 33 -13.633 -4.527 -10.394 1.00 1.59 N ATOM 484 CA GLY A 33 -14.433 -4.578 -11.600 1.00 1.93 C ATOM 485 C GLY A 33 -13.626 -5.048 -12.792 1.00 1.81 C ATOM 486 O GLY A 33 -13.017 -6.115 -12.753 1.00 2.28 O ATOM 0 H GLY A 33 -13.040 -3.702 -10.309 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -15.279 -5.248 -11.447 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -14.843 -3.589 -11.806 1.00 1.93 H new ATOM 490 N ILE A 34 -13.590 -4.241 -13.844 1.00 1.73 N ATOM 491 CA ILE A 34 -12.854 -4.603 -15.050 1.00 1.78 C ATOM 492 C ILE A 34 -11.361 -4.333 -14.862 1.00 1.93 C ATOM 493 O ILE A 34 -10.789 -3.425 -15.469 1.00 2.58 O ATOM 494 CB ILE A 34 -13.377 -3.846 -16.294 1.00 1.94 C ATOM 495 CG1 ILE A 34 -14.906 -3.787 -16.278 1.00 2.07 C ATOM 496 CG2 ILE A 34 -12.889 -4.515 -17.573 1.00 2.43 C ATOM 497 CD1 ILE A 34 -15.469 -2.476 -16.784 1.00 2.67 C ATOM 0 H ILE A 34 -14.059 -3.336 -13.888 1.00 1.73 H new ATOM 0 HA ILE A 34 -13.010 -5.668 -15.220 1.00 1.78 H new ATOM 0 HB ILE A 34 -12.987 -2.829 -16.265 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -15.299 -4.601 -16.888 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -15.257 -3.954 -15.260 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -13.267 -3.968 -18.437 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -11.799 -4.514 -17.591 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -13.251 -5.543 -17.607 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -16.558 -2.508 -16.743 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -15.106 -1.659 -16.160 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -15.149 -2.316 -17.814 1.00 2.67 H new ATOM 509 N LEU A 35 -10.748 -5.118 -13.992 1.00 1.70 N ATOM 510 CA LEU A 35 -9.327 -4.995 -13.707 1.00 1.89 C ATOM 511 C LEU A 35 -8.734 -6.355 -13.348 1.00 1.85 C ATOM 512 O LEU A 35 -7.553 -6.455 -13.009 1.00 2.19 O ATOM 513 CB LEU A 35 -9.105 -4.003 -12.561 1.00 2.03 C ATOM 514 CG LEU A 35 -7.929 -3.046 -12.745 1.00 1.96 C ATOM 515 CD1 LEU A 35 -8.393 -1.603 -12.633 1.00 2.44 C ATOM 516 CD2 LEU A 35 -6.842 -3.337 -11.722 1.00 2.46 C ATOM 0 H LEU A 35 -11.218 -5.855 -13.466 1.00 1.70 H new ATOM 0 HA LEU A 35 -8.824 -4.623 -14.600 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -10.014 -3.415 -12.430 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -8.954 -4.565 -11.640 1.00 2.03 H new ATOM 0 HG LEU A 35 -7.514 -3.197 -13.742 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -7.542 -0.936 -12.767 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -9.138 -1.400 -13.402 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -8.833 -1.437 -11.649 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -6.011 -2.646 -11.867 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -7.246 -3.213 -10.717 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -6.489 -4.361 -11.848 1.00 2.46 H new ATOM 528 N ASP A 36 -9.562 -7.400 -13.439 1.00 1.95 N ATOM 529 CA ASP A 36 -9.150 -8.774 -13.129 1.00 2.14 C ATOM 530 C ASP A 36 -8.539 -8.863 -11.731 1.00 1.49 C ATOM 531 O ASP A 36 -9.249 -8.749 -10.729 1.00 1.80 O ATOM 532 CB ASP A 36 -8.153 -9.291 -14.172 1.00 3.20 C ATOM 533 CG ASP A 36 -8.823 -9.737 -15.454 1.00 3.75 C ATOM 534 OD1 ASP A 36 -9.761 -9.048 -15.909 1.00 4.20 O ATOM 535 OD2 ASP A 36 -8.398 -10.761 -16.021 1.00 4.01 O ATOM 0 H ASP A 36 -10.536 -7.318 -13.729 1.00 1.95 H new ATOM 0 HA ASP A 36 -10.042 -9.400 -13.156 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -7.432 -8.506 -14.399 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -7.593 -10.126 -13.750 1.00 3.20 H new ATOM 540 N ASN A 37 -7.221 -9.090 -11.685 1.00 1.38 N ATOM 541 CA ASN A 37 -6.439 -9.063 -10.444 1.00 1.74 C ATOM 542 C ASN A 37 -6.774 -10.226 -9.510 1.00 1.40 C ATOM 543 O ASN A 37 -5.992 -11.165 -9.366 1.00 1.90 O ATOM 544 CB ASN A 37 -6.641 -7.734 -9.710 1.00 2.65 C ATOM 545 CG ASN A 37 -5.393 -7.275 -8.982 1.00 3.55 C ATOM 546 OD1 ASN A 37 -5.222 -7.533 -7.790 1.00 4.12 O ATOM 547 ND2 ASN A 37 -4.512 -6.593 -9.695 1.00 4.13 N ATOM 0 H ASN A 37 -6.664 -9.299 -12.513 1.00 1.38 H new ATOM 0 HA ASN A 37 -5.393 -9.168 -10.733 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -6.941 -6.969 -10.426 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -7.457 -7.838 -8.995 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -3.652 -6.259 -9.259 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -4.693 -6.401 -10.680 1.00 4.13 H new ATOM 554 N PHE A 38 -7.936 -10.158 -8.883 1.00 1.23 N ATOM 555 CA PHE A 38 -8.328 -11.138 -7.882 1.00 1.41 C ATOM 556 C PHE A 38 -9.353 -12.118 -8.447 1.00 1.51 C ATOM 557 O PHE A 38 -9.173 -13.331 -8.373 1.00 2.27 O ATOM 558 CB PHE A 38 -8.914 -10.423 -6.660 1.00 1.89 C ATOM 559 CG PHE A 38 -8.536 -11.040 -5.341 1.00 1.43 C ATOM 560 CD1 PHE A 38 -8.938 -12.326 -5.016 1.00 1.78 C ATOM 561 CD2 PHE A 38 -7.785 -10.325 -4.422 1.00 1.62 C ATOM 562 CE1 PHE A 38 -8.600 -12.886 -3.797 1.00 1.88 C ATOM 563 CE2 PHE A 38 -7.441 -10.879 -3.205 1.00 2.03 C ATOM 564 CZ PHE A 38 -7.850 -12.162 -2.892 1.00 1.97 C ATOM 0 H PHE A 38 -8.630 -9.429 -9.051 1.00 1.23 H new ATOM 0 HA PHE A 38 -7.442 -11.701 -7.588 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -8.585 -9.384 -6.669 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -10.001 -10.414 -6.745 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -9.522 -12.897 -5.722 1.00 1.78 H new ATOM 0 HD2 PHE A 38 -7.465 -9.322 -4.661 1.00 1.62 H new ATOM 0 HE1 PHE A 38 -8.922 -13.888 -3.554 1.00 1.88 H new ATOM 0 HE2 PHE A 38 -6.853 -10.311 -2.499 1.00 2.03 H new ATOM 0 HZ PHE A 38 -7.583 -12.597 -1.940 1.00 1.97 H new ATOM 574 N PHE A 39 -10.411 -11.578 -9.038 1.00 1.24 N ATOM 575 CA PHE A 39 -11.558 -12.384 -9.437 1.00 1.51 C ATOM 576 C PHE A 39 -11.524 -12.739 -10.924 1.00 1.25 C ATOM 577 O PHE A 39 -11.277 -13.889 -11.293 1.00 1.22 O ATOM 578 CB PHE A 39 -12.850 -11.632 -9.107 1.00 2.01 C ATOM 579 CG PHE A 39 -14.088 -12.485 -9.153 1.00 1.77 C ATOM 580 CD1 PHE A 39 -14.079 -13.775 -8.647 1.00 1.63 C ATOM 581 CD2 PHE A 39 -15.262 -11.989 -9.696 1.00 1.94 C ATOM 582 CE1 PHE A 39 -15.219 -14.555 -8.686 1.00 1.63 C ATOM 583 CE2 PHE A 39 -16.403 -12.764 -9.737 1.00 1.93 C ATOM 584 CZ PHE A 39 -16.382 -14.048 -9.232 1.00 1.75 C ATOM 0 H PHE A 39 -10.499 -10.585 -9.252 1.00 1.24 H new ATOM 0 HA PHE A 39 -11.518 -13.320 -8.880 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -12.759 -11.196 -8.112 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -12.965 -10.805 -9.808 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -13.172 -14.175 -8.218 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -15.284 -10.984 -10.092 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -15.201 -15.560 -8.290 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -17.312 -12.366 -10.164 1.00 1.93 H new ATOM 0 HZ PHE A 39 -17.274 -14.656 -9.264 1.00 1.75 H new ATOM 594 N GLN A 40 -11.748 -11.732 -11.763 1.00 1.25 N ATOM 595 CA GLN A 40 -11.954 -11.925 -13.200 1.00 1.25 C ATOM 596 C GLN A 40 -10.755 -12.580 -13.882 1.00 1.28 C ATOM 597 O GLN A 40 -10.899 -13.182 -14.943 1.00 1.93 O ATOM 598 CB GLN A 40 -12.257 -10.580 -13.867 1.00 1.46 C ATOM 599 CG GLN A 40 -13.601 -9.983 -13.465 1.00 1.85 C ATOM 600 CD GLN A 40 -13.523 -9.152 -12.195 1.00 1.75 C ATOM 601 OE1 GLN A 40 -12.504 -9.142 -11.502 1.00 2.39 O ATOM 602 NE2 GLN A 40 -14.603 -8.457 -11.874 1.00 1.80 N ATOM 0 H GLN A 40 -11.792 -10.757 -11.468 1.00 1.25 H new ATOM 0 HA GLN A 40 -12.801 -12.601 -13.315 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -11.466 -9.874 -13.615 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -12.236 -10.709 -14.949 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -13.974 -9.360 -14.278 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -14.322 -10.788 -13.323 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -15.428 -8.491 -12.473 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -14.610 -7.888 -11.028 1.00 1.80 H new ATOM 611 N ILE A 41 -9.586 -12.483 -13.255 1.00 1.12 N ATOM 612 CA ILE A 41 -8.360 -13.042 -13.819 1.00 1.27 C ATOM 613 C ILE A 41 -8.443 -14.567 -13.933 1.00 1.35 C ATOM 614 O ILE A 41 -7.732 -15.181 -14.730 1.00 1.77 O ATOM 615 CB ILE A 41 -7.123 -12.644 -12.974 1.00 1.70 C ATOM 616 CG1 ILE A 41 -5.826 -12.978 -13.719 1.00 2.36 C ATOM 617 CG2 ILE A 41 -7.148 -13.331 -11.616 1.00 2.27 C ATOM 618 CD1 ILE A 41 -5.393 -11.907 -14.696 1.00 3.23 C ATOM 0 H ILE A 41 -9.461 -12.021 -12.354 1.00 1.12 H new ATOM 0 HA ILE A 41 -8.248 -12.626 -14.820 1.00 1.27 H new ATOM 0 HB ILE A 41 -7.160 -11.567 -12.812 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -5.030 -13.137 -12.991 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -5.958 -13.917 -14.257 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -6.270 -13.035 -11.042 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -8.049 -13.038 -11.077 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -7.143 -14.412 -11.755 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -4.468 -12.213 -15.185 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -6.170 -11.763 -15.447 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -5.228 -10.972 -14.161 1.00 3.23 H new ATOM 630 N GLY A 42 -9.323 -15.172 -13.145 1.00 1.60 N ATOM 631 CA GLY A 42 -9.456 -16.612 -13.160 1.00 1.96 C ATOM 632 C GLY A 42 -8.897 -17.252 -11.909 1.00 1.64 C ATOM 633 O GLY A 42 -8.169 -18.243 -11.981 1.00 2.06 O ATOM 0 H GLY A 42 -9.946 -14.690 -12.497 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -10.508 -16.877 -13.262 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -8.941 -17.013 -14.033 1.00 1.96 H new ATOM 637 N GLY A 43 -9.236 -16.680 -10.761 1.00 1.60 N ATOM 638 CA GLY A 43 -8.751 -17.205 -9.502 1.00 1.92 C ATOM 639 C GLY A 43 -9.374 -18.545 -9.164 1.00 1.62 C ATOM 640 O GLY A 43 -10.555 -18.618 -8.819 1.00 2.17 O ATOM 0 H GLY A 43 -9.839 -15.861 -10.680 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -7.667 -17.311 -9.548 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -8.968 -16.494 -8.705 1.00 1.92 H new ATOM 644 N HIS A 44 -8.582 -19.606 -9.282 1.00 1.25 N ATOM 645 CA HIS A 44 -9.044 -20.949 -8.959 1.00 1.22 C ATOM 646 C HIS A 44 -9.175 -21.114 -7.451 1.00 1.13 C ATOM 647 O HIS A 44 -8.248 -21.566 -6.781 1.00 1.36 O ATOM 648 CB HIS A 44 -8.083 -22.003 -9.518 1.00 1.54 C ATOM 649 CG HIS A 44 -8.716 -23.348 -9.712 1.00 1.39 C ATOM 650 ND1 HIS A 44 -8.034 -24.533 -9.539 1.00 1.94 N ATOM 651 CD2 HIS A 44 -9.977 -23.693 -10.066 1.00 1.92 C ATOM 652 CE1 HIS A 44 -8.844 -25.543 -9.781 1.00 2.26 C ATOM 653 NE2 HIS A 44 -10.028 -25.063 -10.103 1.00 2.26 N ATOM 0 H HIS A 44 -7.614 -19.560 -9.600 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.022 -21.092 -9.419 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -7.690 -21.654 -10.473 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -7.234 -22.104 -8.842 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -10.791 -23.016 -10.279 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -8.582 -26.589 -9.725 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -10.849 -25.620 -10.341 1.00 2.26 H new ATOM 662 N SER A 45 -10.328 -20.732 -6.928 1.00 1.01 N ATOM 663 CA SER A 45 -10.590 -20.789 -5.503 1.00 1.10 C ATOM 664 C SER A 45 -10.958 -22.205 -5.066 1.00 1.13 C ATOM 665 O SER A 45 -11.034 -23.128 -5.884 1.00 1.31 O ATOM 666 CB SER A 45 -11.722 -19.818 -5.169 1.00 1.19 C ATOM 667 OG SER A 45 -12.389 -19.404 -6.354 1.00 1.19 O ATOM 0 H SER A 45 -11.107 -20.374 -7.480 1.00 1.01 H new ATOM 0 HA SER A 45 -9.687 -20.504 -4.964 1.00 1.10 H new ATOM 0 HB2 SER A 45 -12.431 -20.296 -4.493 1.00 1.19 H new ATOM 0 HB3 SER A 45 -11.321 -18.949 -4.648 1.00 1.19 H new ATOM 0 HG SER A 45 -12.589 -18.446 -6.299 1.00 1.19 H new ATOM 673 N LEU A 46 -11.183 -22.376 -3.771 1.00 1.21 N ATOM 674 CA LEU A 46 -11.593 -23.662 -3.221 1.00 1.32 C ATOM 675 C LEU A 46 -13.111 -23.713 -3.062 1.00 1.35 C ATOM 676 O LEU A 46 -13.637 -24.401 -2.185 1.00 1.77 O ATOM 677 CB LEU A 46 -10.913 -23.907 -1.867 1.00 1.50 C ATOM 678 CG LEU A 46 -10.360 -22.657 -1.172 1.00 1.83 C ATOM 679 CD1 LEU A 46 -11.453 -21.961 -0.375 1.00 2.37 C ATOM 680 CD2 LEU A 46 -9.187 -23.020 -0.271 1.00 2.35 C ATOM 0 H LEU A 46 -11.088 -21.635 -3.077 1.00 1.21 H new ATOM 0 HA LEU A 46 -11.286 -24.446 -3.914 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -11.631 -24.385 -1.200 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -10.095 -24.613 -2.013 1.00 1.50 H new ATOM 0 HG LEU A 46 -10.003 -21.968 -1.937 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -11.042 -21.076 0.111 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -12.260 -21.665 -1.046 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -11.842 -22.643 0.381 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -8.808 -22.120 0.213 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -9.517 -23.729 0.488 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -8.395 -23.471 -0.869 1.00 2.35 H new ATOM 692 N LYS A 47 -13.807 -22.982 -3.921 1.00 1.23 N ATOM 693 CA LYS A 47 -15.257 -22.878 -3.843 1.00 1.28 C ATOM 694 C LYS A 47 -15.919 -23.661 -4.973 1.00 1.27 C ATOM 695 O LYS A 47 -15.273 -23.994 -5.968 1.00 1.27 O ATOM 696 CB LYS A 47 -15.683 -21.410 -3.898 1.00 1.30 C ATOM 697 CG LYS A 47 -16.612 -21.008 -2.766 1.00 1.49 C ATOM 698 CD LYS A 47 -15.849 -20.777 -1.474 1.00 1.72 C ATOM 699 CE LYS A 47 -16.511 -19.703 -0.627 1.00 1.61 C ATOM 700 NZ LYS A 47 -16.717 -20.151 0.775 1.00 2.27 N ATOM 0 H LYS A 47 -13.388 -22.450 -4.684 1.00 1.23 H new ATOM 0 HA LYS A 47 -15.581 -23.307 -2.895 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -14.794 -20.780 -3.869 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -16.178 -21.219 -4.850 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -17.149 -20.100 -3.040 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -17.360 -21.786 -2.614 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -15.796 -21.708 -0.909 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -14.824 -20.484 -1.702 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -15.895 -18.804 -0.634 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -17.471 -19.434 -1.067 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -16.709 -19.326 1.408 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -17.632 -20.638 0.853 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -15.954 -20.803 1.047 1.00 2.27 H new ATOM 714 N ALA A 48 -17.214 -23.924 -4.817 1.00 1.33 N ATOM 715 CA ALA A 48 -17.969 -24.747 -5.760 1.00 1.38 C ATOM 716 C ALA A 48 -17.945 -24.174 -7.174 1.00 1.18 C ATOM 717 O ALA A 48 -17.808 -24.916 -8.144 1.00 1.05 O ATOM 718 CB ALA A 48 -19.405 -24.903 -5.281 1.00 1.64 C ATOM 0 H ALA A 48 -17.769 -23.574 -4.036 1.00 1.33 H new ATOM 0 HA ALA A 48 -17.488 -25.724 -5.799 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -19.960 -25.518 -5.990 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -19.412 -25.382 -4.302 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -19.873 -23.921 -5.208 1.00 1.64 H new ATOM 724 N MET A 49 -18.070 -22.857 -7.289 1.00 1.20 N ATOM 725 CA MET A 49 -18.077 -22.201 -8.596 1.00 1.09 C ATOM 726 C MET A 49 -16.763 -22.441 -9.337 1.00 0.94 C ATOM 727 O MET A 49 -16.745 -22.590 -10.559 1.00 0.85 O ATOM 728 CB MET A 49 -18.330 -20.698 -8.443 1.00 1.22 C ATOM 729 CG MET A 49 -18.135 -19.905 -9.725 1.00 1.35 C ATOM 730 SD MET A 49 -19.158 -18.425 -9.788 1.00 1.95 S ATOM 731 CE MET A 49 -18.775 -17.832 -11.434 1.00 2.58 C ATOM 0 H MET A 49 -18.168 -22.222 -6.497 1.00 1.20 H new ATOM 0 HA MET A 49 -18.886 -22.635 -9.184 1.00 1.09 H new ATOM 0 HB2 MET A 49 -19.348 -20.546 -8.085 1.00 1.22 H new ATOM 0 HB3 MET A 49 -17.661 -20.303 -7.678 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.087 -19.621 -9.816 1.00 1.35 H new ATOM 0 HG3 MET A 49 -18.369 -20.540 -10.579 1.00 1.35 H new ATOM 0 HE1 MET A 49 -19.676 -17.425 -11.893 1.00 2.58 H new ATOM 0 HE2 MET A 49 -18.016 -17.053 -11.372 1.00 2.58 H new ATOM 0 HE3 MET A 49 -18.400 -18.657 -12.040 1.00 2.58 H new ATOM 741 N ALA A 50 -15.671 -22.501 -8.588 1.00 0.96 N ATOM 742 CA ALA A 50 -14.357 -22.725 -9.171 1.00 0.90 C ATOM 743 C ALA A 50 -14.242 -24.151 -9.699 1.00 0.84 C ATOM 744 O ALA A 50 -13.584 -24.397 -10.712 1.00 0.80 O ATOM 745 CB ALA A 50 -13.268 -22.445 -8.149 1.00 1.06 C ATOM 0 H ALA A 50 -15.670 -22.397 -7.573 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.229 -22.038 -10.008 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.291 -22.617 -8.601 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -13.337 -21.409 -7.819 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.393 -23.108 -7.293 1.00 1.06 H new ATOM 751 N VAL A 51 -14.896 -25.082 -9.011 1.00 0.90 N ATOM 752 CA VAL A 51 -14.920 -26.476 -9.437 1.00 0.92 C ATOM 753 C VAL A 51 -15.812 -26.629 -10.665 1.00 0.84 C ATOM 754 O VAL A 51 -15.461 -27.318 -11.621 1.00 0.85 O ATOM 755 CB VAL A 51 -15.427 -27.411 -8.317 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.226 -28.870 -8.700 1.00 1.17 C ATOM 757 CG2 VAL A 51 -14.726 -27.107 -7.002 1.00 1.46 C ATOM 0 H VAL A 51 -15.417 -24.895 -8.154 1.00 0.90 H new ATOM 0 HA VAL A 51 -13.897 -26.762 -9.679 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.495 -27.233 -8.187 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -15.590 -29.511 -7.897 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -15.778 -29.086 -9.615 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -14.165 -29.060 -8.863 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -15.099 -27.777 -6.228 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -13.652 -27.251 -7.120 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -14.924 -26.075 -6.714 1.00 1.46 H new ATOM 767 N ALA A 52 -16.956 -25.955 -10.638 1.00 0.84 N ATOM 768 CA ALA A 52 -17.889 -25.965 -11.758 1.00 0.85 C ATOM 769 C ALA A 52 -17.258 -25.340 -12.996 1.00 0.77 C ATOM 770 O ALA A 52 -17.666 -25.614 -14.123 1.00 0.83 O ATOM 771 CB ALA A 52 -19.168 -25.228 -11.387 1.00 0.97 C ATOM 0 H ALA A 52 -17.261 -25.390 -9.845 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.135 -27.002 -11.988 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -19.855 -25.244 -12.233 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.634 -25.717 -10.531 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -18.932 -24.195 -11.131 1.00 0.97 H new ATOM 777 N ALA A 53 -16.260 -24.495 -12.774 1.00 0.72 N ATOM 778 CA ALA A 53 -15.526 -23.873 -13.863 1.00 0.74 C ATOM 779 C ALA A 53 -14.589 -24.875 -14.531 1.00 0.73 C ATOM 780 O ALA A 53 -14.521 -24.948 -15.757 1.00 0.93 O ATOM 781 CB ALA A 53 -14.750 -22.668 -13.354 1.00 0.82 C ATOM 0 H ALA A 53 -15.940 -24.225 -11.844 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.243 -23.534 -14.611 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.205 -22.211 -14.180 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -15.443 -21.941 -12.931 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.045 -22.987 -12.586 1.00 0.82 H new ATOM 787 N GLN A 54 -13.889 -25.668 -13.724 1.00 0.71 N ATOM 788 CA GLN A 54 -12.946 -26.649 -14.252 1.00 0.83 C ATOM 789 C GLN A 54 -13.684 -27.855 -14.829 1.00 0.88 C ATOM 790 O GLN A 54 -13.166 -28.557 -15.697 1.00 1.07 O ATOM 791 CB GLN A 54 -11.947 -27.087 -13.171 1.00 0.99 C ATOM 792 CG GLN A 54 -12.457 -28.183 -12.246 1.00 1.27 C ATOM 793 CD GLN A 54 -11.958 -28.023 -10.826 1.00 1.30 C ATOM 794 OE1 GLN A 54 -11.905 -26.912 -10.296 1.00 1.76 O ATOM 795 NE2 GLN A 54 -11.581 -29.124 -10.200 1.00 1.86 N ATOM 0 H GLN A 54 -13.957 -25.651 -12.706 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.385 -26.177 -15.058 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -11.035 -27.434 -13.657 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -11.677 -26.218 -12.570 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -13.547 -28.177 -12.247 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -12.143 -29.153 -12.631 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -11.640 -30.026 -10.673 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -11.231 -29.072 -9.243 1.00 1.86 H new ATOM 804 N VAL A 55 -14.900 -28.088 -14.350 1.00 0.88 N ATOM 805 CA VAL A 55 -15.722 -29.175 -14.858 1.00 0.98 C ATOM 806 C VAL A 55 -16.535 -28.709 -16.063 1.00 0.96 C ATOM 807 O VAL A 55 -17.060 -29.518 -16.827 1.00 1.10 O ATOM 808 CB VAL A 55 -16.657 -29.737 -13.759 1.00 1.13 C ATOM 809 CG1 VAL A 55 -17.969 -28.968 -13.688 1.00 1.82 C ATOM 810 CG2 VAL A 55 -16.915 -31.220 -13.985 1.00 1.36 C ATOM 0 H VAL A 55 -15.337 -27.538 -13.611 1.00 0.88 H new ATOM 0 HA VAL A 55 -15.056 -29.979 -15.172 1.00 0.98 H new ATOM 0 HB VAL A 55 -16.152 -29.612 -12.801 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -18.598 -29.392 -12.905 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -17.765 -27.921 -13.462 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -18.485 -29.039 -14.646 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -17.574 -31.598 -13.203 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -17.386 -31.363 -14.957 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -15.970 -31.762 -13.956 1.00 1.36 H new ATOM 820 N HIS A 56 -16.605 -27.394 -16.241 1.00 0.95 N ATOM 821 CA HIS A 56 -17.338 -26.802 -17.354 1.00 1.02 C ATOM 822 C HIS A 56 -16.700 -27.181 -18.685 1.00 0.97 C ATOM 823 O HIS A 56 -17.383 -27.313 -19.696 1.00 1.30 O ATOM 824 CB HIS A 56 -17.376 -25.280 -17.211 1.00 1.22 C ATOM 825 CG HIS A 56 -18.741 -24.690 -17.374 1.00 1.39 C ATOM 826 ND1 HIS A 56 -18.956 -23.376 -17.744 1.00 1.92 N ATOM 827 CD2 HIS A 56 -19.966 -25.237 -17.206 1.00 1.81 C ATOM 828 CE1 HIS A 56 -20.255 -23.148 -17.797 1.00 1.97 C ATOM 829 NE2 HIS A 56 -20.891 -24.259 -17.473 1.00 1.97 N ATOM 0 H HIS A 56 -16.160 -26.714 -15.624 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.357 -27.189 -17.335 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -16.988 -25.007 -16.230 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -16.709 -24.838 -17.952 1.00 1.22 H new ATOM 0 HD1 HIS A 56 -18.227 -22.691 -17.944 1.00 1.92 H new ATOM 0 HD2 HIS A 56 -20.177 -26.255 -16.915 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -20.720 -22.210 -18.061 1.00 1.97 H new ATOM 838 N ARG A 57 -15.382 -27.333 -18.678 1.00 0.98 N ATOM 839 CA ARG A 57 -14.657 -27.787 -19.858 1.00 1.19 C ATOM 840 C ARG A 57 -14.041 -29.152 -19.591 1.00 1.33 C ATOM 841 O ARG A 57 -13.403 -29.743 -20.465 1.00 2.17 O ATOM 842 CB ARG A 57 -13.564 -26.789 -20.239 1.00 1.33 C ATOM 843 CG ARG A 57 -13.510 -26.485 -21.726 1.00 1.79 C ATOM 844 CD ARG A 57 -13.897 -25.045 -22.017 1.00 1.88 C ATOM 845 NE ARG A 57 -15.213 -24.956 -22.642 1.00 2.28 N ATOM 846 CZ ARG A 57 -15.659 -23.894 -23.307 1.00 2.79 C ATOM 847 NH1 ARG A 57 -14.917 -22.799 -23.408 1.00 3.10 N ATOM 848 NH2 ARG A 57 -16.864 -23.929 -23.861 1.00 3.57 N ATOM 0 H ARG A 57 -14.792 -27.148 -17.867 1.00 0.98 H new ATOM 0 HA ARG A 57 -15.359 -27.863 -20.688 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -13.725 -25.860 -19.692 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -12.598 -27.182 -19.922 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -12.504 -26.675 -22.100 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -14.181 -27.158 -22.260 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -13.895 -24.473 -21.089 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -13.152 -24.593 -22.672 1.00 1.88 H new ATOM 0 HE ARG A 57 -15.832 -25.763 -22.563 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -13.995 -22.766 -22.973 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -15.269 -21.990 -23.920 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -17.441 -24.766 -23.775 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -17.214 -23.119 -24.373 1.00 3.57 H new ATOM 862 N GLU A 58 -14.264 -29.638 -18.370 1.00 1.21 N ATOM 863 CA GLU A 58 -13.721 -30.909 -17.899 1.00 1.40 C ATOM 864 C GLU A 58 -12.220 -31.010 -18.152 1.00 1.22 C ATOM 865 O GLU A 58 -11.784 -31.558 -19.169 1.00 1.68 O ATOM 866 CB GLU A 58 -14.449 -32.085 -18.543 1.00 1.88 C ATOM 867 CG GLU A 58 -15.058 -33.041 -17.531 1.00 2.68 C ATOM 868 CD GLU A 58 -16.567 -33.128 -17.649 1.00 3.16 C ATOM 869 OE1 GLU A 58 -17.106 -32.761 -18.713 1.00 3.53 O ATOM 870 OE2 GLU A 58 -17.215 -33.585 -16.682 1.00 3.64 O ATOM 0 H GLU A 58 -14.832 -29.155 -17.674 1.00 1.21 H new ATOM 0 HA GLU A 58 -13.881 -30.949 -16.821 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -15.237 -31.704 -19.193 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -13.751 -32.633 -19.176 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -14.628 -34.033 -17.669 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -14.794 -32.716 -16.525 1.00 2.68 H new ATOM 877 N TYR A 59 -11.448 -30.462 -17.215 1.00 1.26 N ATOM 878 CA TYR A 59 -9.987 -30.528 -17.253 1.00 1.40 C ATOM 879 C TYR A 59 -9.418 -29.665 -18.379 1.00 1.33 C ATOM 880 O TYR A 59 -9.023 -30.175 -19.431 1.00 1.82 O ATOM 881 CB TYR A 59 -9.498 -31.975 -17.421 1.00 1.93 C ATOM 882 CG TYR A 59 -9.582 -32.823 -16.168 1.00 2.42 C ATOM 883 CD1 TYR A 59 -9.805 -32.254 -14.920 1.00 2.85 C ATOM 884 CD2 TYR A 59 -9.426 -34.200 -16.243 1.00 2.98 C ATOM 885 CE1 TYR A 59 -9.873 -33.038 -13.783 1.00 3.50 C ATOM 886 CE2 TYR A 59 -9.495 -34.989 -15.112 1.00 3.65 C ATOM 887 CZ TYR A 59 -9.715 -34.405 -13.886 1.00 3.80 C ATOM 888 OH TYR A 59 -9.781 -35.190 -12.757 1.00 4.58 O ATOM 0 H TYR A 59 -11.817 -29.960 -16.408 1.00 1.26 H new ATOM 0 HA TYR A 59 -9.628 -30.142 -16.299 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -10.084 -32.453 -18.206 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -8.463 -31.957 -17.762 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -9.927 -31.184 -14.837 1.00 2.85 H new ATOM 0 HD2 TYR A 59 -9.248 -34.662 -17.203 1.00 2.98 H new ATOM 0 HE1 TYR A 59 -10.049 -32.583 -12.819 1.00 3.50 H new ATOM 0 HE2 TYR A 59 -9.377 -36.060 -15.189 1.00 3.65 H new ATOM 0 HH TYR A 59 -9.650 -36.129 -13.004 1.00 4.58 H new ATOM 898 N GLN A 60 -9.400 -28.358 -18.171 1.00 1.24 N ATOM 899 CA GLN A 60 -8.770 -27.450 -19.120 1.00 1.28 C ATOM 900 C GLN A 60 -7.352 -27.107 -18.658 1.00 1.38 C ATOM 901 O GLN A 60 -6.432 -27.016 -19.469 1.00 1.94 O ATOM 902 CB GLN A 60 -9.620 -26.178 -19.307 1.00 1.68 C ATOM 903 CG GLN A 60 -9.545 -25.188 -18.151 1.00 1.83 C ATOM 904 CD GLN A 60 -10.470 -25.548 -17.003 1.00 2.07 C ATOM 905 OE1 GLN A 60 -11.488 -26.208 -17.195 1.00 2.80 O ATOM 906 NE2 GLN A 60 -10.111 -25.126 -15.801 1.00 2.27 N ATOM 0 H GLN A 60 -9.812 -27.902 -17.357 1.00 1.24 H new ATOM 0 HA GLN A 60 -8.703 -27.946 -20.088 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -9.301 -25.675 -20.220 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -10.660 -26.470 -19.451 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -8.520 -25.143 -17.784 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -9.797 -24.192 -18.515 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -9.257 -24.580 -15.686 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -10.688 -25.347 -14.990 1.00 2.27 H new ATOM 915 N VAL A 61 -7.202 -26.962 -17.341 1.00 1.49 N ATOM 916 CA VAL A 61 -5.937 -26.617 -16.691 1.00 1.90 C ATOM 917 C VAL A 61 -6.262 -26.048 -15.305 1.00 2.03 C ATOM 918 O VAL A 61 -7.430 -26.047 -14.910 1.00 2.77 O ATOM 919 CB VAL A 61 -5.083 -25.615 -17.528 1.00 2.42 C ATOM 920 CG1 VAL A 61 -5.535 -24.178 -17.327 1.00 3.13 C ATOM 921 CG2 VAL A 61 -3.600 -25.772 -17.214 1.00 2.70 C ATOM 0 H VAL A 61 -7.972 -27.084 -16.683 1.00 1.49 H new ATOM 0 HA VAL A 61 -5.326 -27.515 -16.603 1.00 1.90 H new ATOM 0 HB VAL A 61 -5.237 -25.856 -18.580 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -4.914 -23.514 -17.928 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -6.576 -24.078 -17.634 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -5.440 -23.910 -16.275 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -3.025 -25.063 -17.810 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -3.430 -25.578 -16.155 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -3.283 -26.787 -17.453 1.00 2.70 H new ATOM 931 N GLU A 62 -5.257 -25.593 -14.564 1.00 1.77 N ATOM 932 CA GLU A 62 -5.481 -25.025 -13.236 1.00 2.15 C ATOM 933 C GLU A 62 -6.434 -23.832 -13.297 1.00 1.95 C ATOM 934 O GLU A 62 -7.401 -23.754 -12.536 1.00 2.59 O ATOM 935 CB GLU A 62 -4.152 -24.597 -12.614 1.00 2.85 C ATOM 936 CG GLU A 62 -3.431 -25.722 -11.891 1.00 3.27 C ATOM 937 CD GLU A 62 -2.682 -26.640 -12.836 1.00 4.00 C ATOM 938 OE1 GLU A 62 -2.296 -26.190 -13.936 1.00 4.41 O ATOM 939 OE2 GLU A 62 -2.473 -27.818 -12.482 1.00 4.56 O ATOM 0 H GLU A 62 -4.280 -25.606 -14.858 1.00 1.77 H new ATOM 0 HA GLU A 62 -5.938 -25.795 -12.615 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -3.503 -24.204 -13.397 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -4.334 -23.783 -11.913 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -2.730 -25.296 -11.173 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -4.155 -26.305 -11.322 1.00 3.27 H new ATOM 946 N LEU A 63 -6.166 -22.908 -14.208 1.00 1.62 N ATOM 947 CA LEU A 63 -6.990 -21.714 -14.342 1.00 1.78 C ATOM 948 C LEU A 63 -8.147 -21.947 -15.318 1.00 1.53 C ATOM 949 O LEU A 63 -7.961 -22.498 -16.402 1.00 1.50 O ATOM 950 CB LEU A 63 -6.137 -20.533 -14.808 1.00 2.34 C ATOM 951 CG LEU A 63 -4.898 -20.250 -13.957 1.00 2.46 C ATOM 952 CD1 LEU A 63 -4.035 -19.186 -14.613 1.00 2.93 C ATOM 953 CD2 LEU A 63 -5.296 -19.819 -12.556 1.00 3.01 C ATOM 0 H LEU A 63 -5.387 -22.961 -14.864 1.00 1.62 H new ATOM 0 HA LEU A 63 -7.413 -21.484 -13.364 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -5.819 -20.717 -15.834 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -6.760 -19.639 -14.823 1.00 2.34 H new ATOM 0 HG LEU A 63 -4.318 -21.170 -13.881 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -3.158 -18.997 -13.994 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -3.718 -19.531 -15.597 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -4.610 -18.266 -14.719 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -4.400 -19.623 -11.967 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -5.899 -18.913 -12.612 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -5.875 -20.612 -12.082 1.00 3.01 H new ATOM 965 N PRO A 64 -9.364 -21.530 -14.942 1.00 1.52 N ATOM 966 CA PRO A 64 -10.557 -21.681 -15.777 1.00 1.44 C ATOM 967 C PRO A 64 -10.665 -20.591 -16.847 1.00 1.43 C ATOM 968 O PRO A 64 -11.645 -19.841 -16.891 1.00 1.89 O ATOM 969 CB PRO A 64 -11.717 -21.561 -14.776 1.00 1.66 C ATOM 970 CG PRO A 64 -11.091 -21.373 -13.425 1.00 1.91 C ATOM 971 CD PRO A 64 -9.691 -20.893 -13.666 1.00 1.79 C ATOM 0 HA PRO A 64 -10.546 -22.622 -16.328 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -12.361 -20.718 -15.027 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -12.340 -22.455 -14.795 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -11.653 -20.649 -12.835 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -11.089 -22.308 -12.865 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -9.638 -19.806 -13.728 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -9.012 -21.201 -12.871 1.00 1.79 H new ATOM 979 N LEU A 65 -9.661 -20.520 -17.713 1.00 1.22 N ATOM 980 CA LEU A 65 -9.595 -19.483 -18.740 1.00 1.24 C ATOM 981 C LEU A 65 -10.665 -19.679 -19.814 1.00 1.19 C ATOM 982 O LEU A 65 -10.674 -20.692 -20.519 1.00 1.82 O ATOM 983 CB LEU A 65 -8.202 -19.451 -19.388 1.00 1.39 C ATOM 984 CG LEU A 65 -7.504 -20.809 -19.512 1.00 1.86 C ATOM 985 CD1 LEU A 65 -7.369 -21.208 -20.973 1.00 2.46 C ATOM 986 CD2 LEU A 65 -6.138 -20.767 -18.844 1.00 2.34 C ATOM 0 H LEU A 65 -8.876 -21.172 -17.725 1.00 1.22 H new ATOM 0 HA LEU A 65 -9.783 -18.529 -18.248 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -8.293 -19.016 -20.383 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -7.564 -18.785 -18.806 1.00 1.39 H new ATOM 0 HG LEU A 65 -8.114 -21.557 -19.006 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -6.871 -22.175 -21.042 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -8.359 -21.277 -21.424 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -6.780 -20.458 -21.502 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -5.655 -21.740 -18.941 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -5.522 -20.007 -19.324 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -6.257 -20.525 -17.788 1.00 2.34 H new ATOM 998 N LYS A 66 -11.579 -18.708 -19.903 1.00 0.89 N ATOM 999 CA LYS A 66 -12.624 -18.683 -20.933 1.00 0.89 C ATOM 1000 C LYS A 66 -13.626 -19.822 -20.746 1.00 0.88 C ATOM 1001 O LYS A 66 -14.351 -20.183 -21.670 1.00 1.21 O ATOM 1002 CB LYS A 66 -12.009 -18.736 -22.336 1.00 1.03 C ATOM 1003 CG LYS A 66 -11.244 -17.477 -22.713 1.00 1.47 C ATOM 1004 CD LYS A 66 -11.834 -16.816 -23.949 1.00 1.62 C ATOM 1005 CE LYS A 66 -10.860 -16.832 -25.123 1.00 1.99 C ATOM 1006 NZ LYS A 66 -9.444 -16.933 -24.679 1.00 2.42 N ATOM 0 H LYS A 66 -11.616 -17.915 -19.262 1.00 0.89 H new ATOM 0 HA LYS A 66 -13.164 -17.742 -20.825 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -11.337 -19.592 -22.397 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -12.802 -18.901 -23.065 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -11.263 -16.775 -21.879 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -10.199 -17.726 -22.896 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -12.752 -17.330 -24.232 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -12.104 -15.786 -23.716 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -11.095 -17.673 -25.776 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -10.990 -15.925 -25.713 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -8.816 -16.623 -25.448 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -9.297 -16.327 -23.846 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -9.227 -17.920 -24.432 1.00 2.42 H new ATOM 1020 N VAL A 67 -13.661 -20.383 -19.544 1.00 0.96 N ATOM 1021 CA VAL A 67 -14.628 -21.424 -19.217 1.00 1.08 C ATOM 1022 C VAL A 67 -15.706 -20.863 -18.297 1.00 1.15 C ATOM 1023 O VAL A 67 -16.816 -21.402 -18.203 1.00 1.70 O ATOM 1024 CB VAL A 67 -13.967 -22.637 -18.532 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -14.780 -23.888 -18.789 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -12.536 -22.833 -19.006 1.00 2.11 C ATOM 0 H VAL A 67 -13.032 -20.135 -18.780 1.00 0.96 H new ATOM 0 HA VAL A 67 -15.067 -21.761 -20.156 1.00 1.08 H new ATOM 0 HB VAL A 67 -13.939 -22.442 -17.460 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -14.304 -24.738 -18.301 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -15.786 -23.757 -18.390 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -14.837 -24.071 -19.862 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -12.101 -23.696 -18.503 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -12.529 -22.999 -20.083 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -11.950 -21.944 -18.772 1.00 2.11 H new ATOM 1036 N LEU A 68 -15.355 -19.763 -17.641 1.00 1.00 N ATOM 1037 CA LEU A 68 -16.225 -19.080 -16.693 1.00 1.15 C ATOM 1038 C LEU A 68 -15.488 -17.869 -16.145 1.00 1.14 C ATOM 1039 O LEU A 68 -16.087 -16.842 -15.835 1.00 1.53 O ATOM 1040 CB LEU A 68 -16.632 -20.005 -15.540 1.00 1.35 C ATOM 1041 CG LEU A 68 -18.115 -20.385 -15.501 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.364 -21.439 -14.434 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -18.976 -19.156 -15.248 1.00 2.02 C ATOM 0 H LEU A 68 -14.446 -19.315 -17.755 1.00 1.00 H new ATOM 0 HA LEU A 68 -17.135 -18.773 -17.208 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -16.041 -20.919 -15.602 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -16.373 -19.521 -14.598 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.390 -20.802 -16.470 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -19.423 -21.698 -14.419 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -17.775 -22.329 -14.657 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -18.073 -21.046 -13.460 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -20.026 -19.446 -15.224 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -18.701 -18.709 -14.293 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -18.818 -18.431 -16.046 1.00 2.02 H new ATOM 1055 N PHE A 69 -14.173 -18.010 -16.030 1.00 1.04 N ATOM 1056 CA PHE A 69 -13.313 -16.925 -15.585 1.00 1.16 C ATOM 1057 C PHE A 69 -12.409 -16.479 -16.730 1.00 1.15 C ATOM 1058 O PHE A 69 -12.516 -17.004 -17.843 1.00 1.87 O ATOM 1059 CB PHE A 69 -12.472 -17.376 -14.388 1.00 1.30 C ATOM 1060 CG PHE A 69 -13.271 -17.626 -13.140 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -13.526 -16.599 -12.247 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -13.762 -18.891 -12.858 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -14.258 -16.828 -11.097 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -14.493 -19.125 -11.708 1.00 1.81 C ATOM 1065 CZ PHE A 69 -14.742 -18.093 -10.827 1.00 1.60 C ATOM 0 H PHE A 69 -13.677 -18.876 -16.242 1.00 1.04 H new ATOM 0 HA PHE A 69 -13.932 -16.083 -15.276 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -11.939 -18.288 -14.655 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -11.719 -16.616 -14.179 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -13.149 -15.608 -12.451 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -13.571 -19.703 -13.544 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -14.451 -16.018 -10.410 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -14.869 -20.116 -11.499 1.00 1.81 H new ATOM 0 HZ PHE A 69 -15.314 -18.274 -9.929 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.522 -15.523 -16.448 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.599 -14.985 -17.447 1.00 0.94 C ATOM 1077 C ALA A 70 -11.361 -14.345 -18.600 1.00 0.91 C ATOM 1078 O ALA A 70 -11.173 -14.698 -19.769 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.651 -16.065 -17.956 1.00 1.03 C ATOM 0 H ALA A 70 -11.424 -15.102 -15.524 1.00 0.92 H new ATOM 0 HA ALA A 70 -9.999 -14.212 -16.967 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -8.976 -15.637 -18.697 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -9.070 -16.462 -17.123 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -10.228 -16.870 -18.412 1.00 1.03 H new ATOM 1085 N GLN A 71 -12.226 -13.402 -18.255 1.00 1.05 N ATOM 1086 CA GLN A 71 -13.045 -12.703 -19.232 1.00 1.14 C ATOM 1087 C GLN A 71 -13.346 -11.288 -18.751 1.00 1.04 C ATOM 1088 O GLN A 71 -14.206 -11.092 -17.890 1.00 1.19 O ATOM 1089 CB GLN A 71 -14.359 -13.458 -19.470 1.00 1.43 C ATOM 1090 CG GLN A 71 -14.413 -14.189 -20.804 1.00 1.89 C ATOM 1091 CD GLN A 71 -14.818 -13.287 -21.956 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -15.968 -12.857 -22.057 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -13.877 -13.005 -22.844 1.00 3.23 N ATOM 0 H GLN A 71 -12.379 -13.101 -17.292 1.00 1.05 H new ATOM 0 HA GLN A 71 -12.492 -12.653 -20.170 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -14.504 -14.178 -18.665 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -15.188 -12.752 -19.419 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -13.435 -14.622 -21.015 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -15.119 -15.016 -20.731 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -12.936 -13.380 -22.726 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -14.093 -12.413 -23.646 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.610 -10.289 -19.265 1.00 1.11 N ATOM 1103 CA PRO A 72 -12.880 -8.875 -18.979 1.00 1.26 C ATOM 1104 C PRO A 72 -14.311 -8.506 -19.356 1.00 1.21 C ATOM 1105 O PRO A 72 -14.628 -8.371 -20.541 1.00 1.62 O ATOM 1106 CB PRO A 72 -11.882 -8.125 -19.865 1.00 1.60 C ATOM 1107 CG PRO A 72 -10.793 -9.106 -20.128 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.447 -10.460 -20.153 1.00 1.38 C ATOM 0 HA PRO A 72 -12.774 -8.635 -17.921 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.348 -7.794 -20.793 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -11.500 -7.235 -19.365 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -10.299 -8.895 -21.076 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.029 -9.057 -19.352 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.749 -10.743 -21.162 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.775 -11.238 -19.791 1.00 1.38 H new ATOM 1116 N THR A 73 -15.158 -8.337 -18.342 1.00 1.29 N ATOM 1117 CA THR A 73 -16.599 -8.209 -18.539 1.00 1.40 C ATOM 1118 C THR A 73 -17.180 -9.571 -18.927 1.00 1.25 C ATOM 1119 O THR A 73 -17.053 -10.020 -20.066 1.00 1.55 O ATOM 1120 CB THR A 73 -16.959 -7.149 -19.609 1.00 1.86 C ATOM 1121 OG1 THR A 73 -16.519 -5.847 -19.186 1.00 2.46 O ATOM 1122 CG2 THR A 73 -18.457 -7.119 -19.875 1.00 2.01 C ATOM 0 H THR A 73 -14.866 -8.285 -17.366 1.00 1.29 H new ATOM 0 HA THR A 73 -17.034 -7.869 -17.599 1.00 1.40 H new ATOM 0 HB THR A 73 -16.450 -7.423 -20.533 1.00 1.86 H new ATOM 0 HG1 THR A 73 -17.235 -5.408 -18.682 1.00 2.46 H new ATOM 0 HG21 THR A 73 -18.677 -6.365 -20.631 1.00 2.01 H new ATOM 0 HG22 THR A 73 -18.783 -8.096 -20.232 1.00 2.01 H new ATOM 0 HG23 THR A 73 -18.985 -6.875 -18.953 1.00 2.01 H new ATOM 1130 N ILE A 74 -17.828 -10.218 -17.971 1.00 1.12 N ATOM 1131 CA ILE A 74 -18.297 -11.584 -18.157 1.00 1.13 C ATOM 1132 C ILE A 74 -19.649 -11.608 -18.855 1.00 1.08 C ATOM 1133 O ILE A 74 -20.317 -12.641 -18.894 1.00 1.12 O ATOM 1134 CB ILE A 74 -18.412 -12.349 -16.819 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -17.890 -11.506 -15.652 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -17.655 -13.666 -16.900 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -18.626 -11.754 -14.354 1.00 2.08 C ATOM 0 H ILE A 74 -18.042 -9.819 -17.057 1.00 1.12 H new ATOM 0 HA ILE A 74 -17.552 -12.081 -18.779 1.00 1.13 H new ATOM 0 HB ILE A 74 -19.467 -12.557 -16.638 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -16.831 -11.717 -15.506 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -17.972 -10.450 -15.911 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -17.744 -14.196 -15.951 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -18.075 -14.278 -17.698 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -16.603 -13.469 -17.109 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -18.204 -11.124 -13.571 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -19.682 -11.515 -14.483 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -18.523 -12.802 -14.072 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.047 -10.468 -19.405 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.307 -10.359 -20.128 1.00 1.12 C ATOM 1151 C LYS A 75 -21.350 -11.341 -21.291 1.00 1.02 C ATOM 1152 O LYS A 75 -22.304 -12.102 -21.431 1.00 1.06 O ATOM 1153 CB LYS A 75 -21.511 -8.934 -20.645 1.00 1.25 C ATOM 1154 CG LYS A 75 -22.956 -8.628 -21.001 1.00 1.80 C ATOM 1155 CD LYS A 75 -23.069 -8.009 -22.382 1.00 2.44 C ATOM 1156 CE LYS A 75 -24.059 -6.859 -22.391 1.00 3.14 C ATOM 1157 NZ LYS A 75 -24.703 -6.693 -23.721 1.00 3.80 N ATOM 0 H LYS A 75 -19.511 -9.601 -19.363 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.112 -10.602 -19.435 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -21.173 -8.227 -19.887 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -20.886 -8.781 -21.525 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -23.543 -9.545 -20.963 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -23.378 -7.948 -20.261 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -22.091 -7.652 -22.704 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -23.383 -8.768 -23.099 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -24.825 -7.034 -21.636 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -23.547 -5.937 -22.118 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -25.372 -5.898 -23.686 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -23.974 -6.501 -24.438 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -25.213 -7.564 -23.971 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.302 -11.333 -22.107 1.00 0.97 N ATOM 1172 CA ALA A 76 -20.235 -12.200 -23.278 1.00 0.98 C ATOM 1173 C ALA A 76 -20.277 -13.668 -22.872 1.00 0.91 C ATOM 1174 O ALA A 76 -20.942 -14.480 -23.510 1.00 0.97 O ATOM 1175 CB ALA A 76 -18.981 -11.905 -24.084 1.00 1.08 C ATOM 0 H ALA A 76 -19.486 -10.735 -21.979 1.00 0.97 H new ATOM 0 HA ALA A 76 -21.105 -11.997 -23.902 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -18.945 -12.560 -24.954 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.996 -10.866 -24.412 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -18.101 -12.077 -23.464 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.581 -13.995 -21.793 1.00 0.91 N ATOM 1182 CA LEU A 77 -19.549 -15.362 -21.294 1.00 0.97 C ATOM 1183 C LEU A 77 -20.919 -15.775 -20.770 1.00 1.04 C ATOM 1184 O LEU A 77 -21.335 -16.926 -20.932 1.00 1.11 O ATOM 1185 CB LEU A 77 -18.500 -15.500 -20.188 1.00 1.15 C ATOM 1186 CG LEU A 77 -17.524 -16.673 -20.343 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -18.122 -17.949 -19.772 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -17.136 -16.871 -21.804 1.00 1.94 C ATOM 0 H LEU A 77 -19.031 -13.333 -21.246 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.280 -16.021 -22.119 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -17.924 -14.576 -20.141 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -19.016 -15.604 -19.233 1.00 1.15 H new ATOM 0 HG LEU A 77 -16.621 -16.435 -19.782 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -17.413 -18.768 -19.892 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -18.337 -17.808 -18.713 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -19.045 -18.187 -20.301 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -16.443 -17.709 -21.886 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -18.029 -17.080 -22.393 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -16.657 -15.966 -22.179 1.00 1.94 H new ATOM 1200 N ALA A 78 -21.622 -14.825 -20.157 1.00 1.13 N ATOM 1201 CA ALA A 78 -22.937 -15.075 -19.578 1.00 1.34 C ATOM 1202 C ALA A 78 -23.949 -15.480 -20.641 1.00 1.34 C ATOM 1203 O ALA A 78 -24.847 -16.280 -20.379 1.00 1.53 O ATOM 1204 CB ALA A 78 -23.425 -13.848 -18.824 1.00 1.57 C ATOM 0 H ALA A 78 -21.296 -13.864 -20.049 1.00 1.13 H new ATOM 0 HA ALA A 78 -22.839 -15.906 -18.879 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -24.408 -14.050 -18.398 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -22.724 -13.610 -18.024 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -23.494 -13.003 -19.509 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.799 -14.933 -21.840 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.691 -15.259 -22.946 1.00 1.42 C ATOM 1212 C GLN A 79 -24.051 -16.291 -23.869 1.00 1.44 C ATOM 1213 O GLN A 79 -24.485 -16.475 -25.007 1.00 1.79 O ATOM 1214 CB GLN A 79 -25.062 -14.002 -23.742 1.00 1.53 C ATOM 1215 CG GLN A 79 -23.974 -12.940 -23.754 1.00 1.65 C ATOM 1216 CD GLN A 79 -23.850 -12.220 -25.083 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -24.059 -12.936 -26.177 1.00 2.63 O flip ATOM 1218 NE2 GLN A 79 -23.567 -11.023 -25.125 1.00 2.74 N flip ATOM 0 H GLN A 79 -23.068 -14.261 -22.072 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.602 -15.682 -22.524 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -25.289 -14.288 -24.769 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -25.971 -13.572 -23.322 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -24.181 -12.210 -22.972 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -23.019 -13.406 -23.511 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -23.413 -10.505 -24.260 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -23.486 -10.549 -26.025 1.00 2.74 H new ATOM 1227 N TYR A 80 -23.019 -16.960 -23.375 1.00 1.23 N ATOM 1228 CA TYR A 80 -22.329 -17.976 -24.157 1.00 1.38 C ATOM 1229 C TYR A 80 -22.256 -19.297 -23.393 1.00 1.39 C ATOM 1230 O TYR A 80 -23.122 -20.163 -23.541 1.00 1.59 O ATOM 1231 CB TYR A 80 -20.917 -17.500 -24.522 1.00 1.43 C ATOM 1232 CG TYR A 80 -20.808 -16.869 -25.894 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -21.798 -17.071 -26.850 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -19.720 -16.076 -26.234 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -21.704 -16.500 -28.106 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -19.621 -15.502 -27.485 1.00 2.18 C ATOM 1237 CZ TYR A 80 -20.602 -15.705 -28.413 1.00 2.42 C ATOM 1238 OH TYR A 80 -20.513 -15.140 -29.668 1.00 2.85 O ATOM 0 H TYR A 80 -22.642 -16.818 -22.438 1.00 1.23 H new ATOM 0 HA TYR A 80 -22.896 -18.140 -25.073 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -20.585 -16.778 -23.776 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -20.235 -18.349 -24.470 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -22.654 -17.684 -26.607 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -18.939 -15.906 -25.508 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -22.477 -16.669 -28.841 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -18.765 -14.891 -27.731 1.00 2.18 H new ATOM 0 HH TYR A 80 -19.690 -14.612 -29.732 1.00 2.85 H new ATOM 1248 N VAL A 81 -21.233 -19.441 -22.558 1.00 1.29 N ATOM 1249 CA VAL A 81 -20.994 -20.693 -21.846 1.00 1.39 C ATOM 1250 C VAL A 81 -21.712 -20.715 -20.501 1.00 1.35 C ATOM 1251 O VAL A 81 -22.036 -21.782 -19.978 1.00 1.49 O ATOM 1252 CB VAL A 81 -19.485 -20.936 -21.614 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -19.199 -22.420 -21.453 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.657 -20.355 -22.752 1.00 1.72 C ATOM 0 H VAL A 81 -20.555 -18.706 -22.357 1.00 1.29 H new ATOM 0 HA VAL A 81 -21.390 -21.488 -22.477 1.00 1.39 H new ATOM 0 HB VAL A 81 -19.201 -20.427 -20.693 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -18.132 -22.569 -21.291 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -19.754 -22.807 -20.598 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -19.506 -22.950 -22.355 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -17.599 -20.540 -22.564 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -18.946 -20.828 -23.691 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.832 -19.281 -22.818 1.00 1.72 H new ATOM 1264 N ALA A 82 -21.961 -19.538 -19.939 1.00 1.42 N ATOM 1265 CA ALA A 82 -22.613 -19.443 -18.638 1.00 1.52 C ATOM 1266 C ALA A 82 -24.085 -19.833 -18.726 1.00 1.59 C ATOM 1267 O ALA A 82 -24.660 -20.328 -17.758 1.00 1.90 O ATOM 1268 CB ALA A 82 -22.467 -18.045 -18.064 1.00 1.66 C ATOM 0 H ALA A 82 -21.723 -18.640 -20.361 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.119 -20.146 -17.968 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -22.961 -17.997 -17.093 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -21.409 -17.809 -17.945 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -22.926 -17.324 -18.741 1.00 1.66 H new ATOM 1274 N THR A 83 -24.690 -19.631 -19.893 1.00 1.64 N ATOM 1275 CA THR A 83 -26.088 -19.988 -20.097 1.00 1.83 C ATOM 1276 C THR A 83 -26.236 -21.488 -20.340 1.00 2.01 C ATOM 1277 O THR A 83 -26.768 -21.921 -21.363 1.00 2.41 O ATOM 1278 CB THR A 83 -26.697 -19.218 -21.282 1.00 2.14 C ATOM 1279 OG1 THR A 83 -25.725 -18.315 -21.831 1.00 2.59 O ATOM 1280 CG2 THR A 83 -27.928 -18.440 -20.844 1.00 2.65 C ATOM 0 H THR A 83 -24.234 -19.223 -20.709 1.00 1.64 H new ATOM 0 HA THR A 83 -26.625 -19.715 -19.189 1.00 1.83 H new ATOM 0 HB THR A 83 -26.994 -19.939 -22.043 1.00 2.14 H new ATOM 0 HG1 THR A 83 -25.570 -17.580 -21.202 1.00 2.59 H new ATOM 0 HG21 THR A 83 -28.342 -17.903 -21.698 1.00 2.65 H new ATOM 0 HG22 THR A 83 -28.675 -19.131 -20.453 1.00 2.65 H new ATOM 0 HG23 THR A 83 -27.651 -17.727 -20.067 1.00 2.65 H new ATOM 1288 N ARG A 84 -25.746 -22.276 -19.394 1.00 2.19 N ATOM 1289 CA ARG A 84 -25.808 -23.725 -19.487 1.00 2.75 C ATOM 1290 C ARG A 84 -26.197 -24.318 -18.141 1.00 3.36 C ATOM 1291 O ARG A 84 -25.891 -25.472 -17.841 1.00 4.13 O ATOM 1292 CB ARG A 84 -24.457 -24.287 -19.937 1.00 3.41 C ATOM 1293 CG ARG A 84 -24.334 -24.443 -21.442 1.00 3.80 C ATOM 1294 CD ARG A 84 -25.144 -25.628 -21.946 1.00 4.57 C ATOM 1295 NE ARG A 84 -24.421 -26.389 -22.963 1.00 5.32 N ATOM 1296 CZ ARG A 84 -24.779 -27.600 -23.384 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -25.856 -28.195 -22.880 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -24.056 -28.218 -24.311 1.00 7.09 N ATOM 0 H ARG A 84 -25.297 -21.930 -18.546 1.00 2.19 H new ATOM 0 HA ARG A 84 -26.563 -23.996 -20.225 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -23.663 -23.630 -19.582 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -24.302 -25.257 -19.466 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -24.676 -23.532 -21.933 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -23.286 -24.576 -21.711 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -25.390 -26.282 -21.109 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -26.087 -25.273 -22.361 1.00 4.57 H new ATOM 0 HE ARG A 84 -23.590 -25.966 -23.376 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -26.413 -27.723 -22.167 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -26.126 -29.123 -23.206 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -23.229 -27.765 -24.699 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -24.328 -29.146 -24.635 1.00 7.09 H new ATOM 1312 N SER A 85 -26.863 -23.516 -17.328 1.00 3.58 N ATOM 1313 CA SER A 85 -27.290 -23.950 -16.011 1.00 4.69 C ATOM 1314 C SER A 85 -28.781 -24.266 -16.008 1.00 5.43 C ATOM 1315 O SER A 85 -29.135 -25.460 -15.938 1.00 5.80 O ATOM 1316 CB SER A 85 -26.961 -22.868 -14.981 1.00 5.10 C ATOM 1317 OG SER A 85 -25.761 -22.192 -15.335 1.00 4.66 O ATOM 1318 OXT SER A 85 -29.596 -23.322 -16.091 1.00 5.98 O ATOM 0 H SER A 85 -27.120 -22.556 -17.559 1.00 3.58 H new ATOM 0 HA SER A 85 -26.755 -24.862 -15.746 1.00 4.69 H new ATOM 0 HB2 SER A 85 -27.783 -22.154 -14.919 1.00 5.10 H new ATOM 0 HB3 SER A 85 -26.854 -23.318 -13.994 1.00 5.10 H new ATOM 0 HG SER A 85 -25.565 -21.502 -14.667 1.00 4.66 H new TER 1324 SER A 85