USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=14 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 75 LYS NZ :NH3+ 142:sc= 0.409 (180deg=0.0213) USER MOD Set 1.2: A 79 GLN : amide:sc= -1.85 K(o=-1.4,f=-5.7!) USER MOD Set 2.1: A 71 GLN : amide:sc= 1 K(o=1.9,f=0.73) USER MOD Set 2.2: A 73 THR OG1 : rot -149:sc= 0.862 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 1.01 (180deg=-0.603) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot -99:sc= 0.197 USER MOD Single : A 12 THR OG1 : rot 89:sc= 1.31 USER MOD Single : A 13 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.22) USER MOD Single : A 17 SER OG : rot 180:sc= -0.212 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.918 K(o=-0.92,f=-12!) USER MOD Single : A 40 GLN : amide:sc= -0.409! X(o=-0.41!,f=-0.27) USER MOD Single : A 44 HIS : no HD1:sc= -0.969! C(o=-0.97!,f=-5.8!) USER MOD Single : A 45 SER OG : rot 146:sc= 0.839 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -122:sc= -0.0163 (180deg=-1.57!) USER MOD Single : A 54 GLN : amide:sc= -0.525 K(o=-0.52,f=-2.2) USER MOD Single : A 56 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=-0.00058) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.309 K(o=0.31,f=-4.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 108:sc= 0.651 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.680 -8.207 -8.527 1.00 6.70 N ATOM 2 CA MET A 1 -1.024 -7.513 -7.396 1.00 6.30 C ATOM 3 C MET A 1 -1.790 -6.246 -7.036 1.00 5.83 C ATOM 4 O MET A 1 -2.149 -5.457 -7.912 1.00 6.14 O ATOM 5 CB MET A 1 0.423 -7.168 -7.758 1.00 6.81 C ATOM 6 CG MET A 1 1.245 -6.682 -6.576 1.00 7.17 C ATOM 7 SD MET A 1 2.965 -7.212 -6.666 1.00 7.86 S ATOM 8 CE MET A 1 3.798 -5.628 -6.712 1.00 8.54 C ATOM 0 H1 MET A 1 -1.721 -9.228 -8.331 1.00 6.70 H new ATOM 0 H2 MET A 1 -2.645 -7.839 -8.648 1.00 6.70 H new ATOM 0 H3 MET A 1 -1.135 -8.043 -9.398 1.00 6.70 H new ATOM 0 HA MET A 1 -1.023 -8.178 -6.532 1.00 6.30 H new ATOM 0 HB2 MET A 1 0.902 -8.049 -8.186 1.00 6.81 H new ATOM 0 HB3 MET A 1 0.422 -6.399 -8.530 1.00 6.81 H new ATOM 0 HG2 MET A 1 1.205 -5.594 -6.533 1.00 7.17 H new ATOM 0 HG3 MET A 1 0.802 -7.054 -5.652 1.00 7.17 H new ATOM 0 HE1 MET A 1 4.875 -5.785 -6.769 1.00 8.54 H new ATOM 0 HE2 MET A 1 3.466 -5.068 -7.586 1.00 8.54 H new ATOM 0 HE3 MET A 1 3.560 -5.066 -5.809 1.00 8.54 H new ATOM 20 N GLY A 2 -2.043 -6.058 -5.746 1.00 5.41 N ATOM 21 CA GLY A 2 -2.784 -4.897 -5.293 1.00 5.21 C ATOM 22 C GLY A 2 -4.268 -5.179 -5.210 1.00 4.76 C ATOM 23 O GLY A 2 -5.089 -4.261 -5.243 1.00 5.03 O ATOM 0 H GLY A 2 -1.747 -6.692 -5.004 1.00 5.41 H new ATOM 0 HA2 GLY A 2 -2.416 -4.590 -4.314 1.00 5.21 H new ATOM 0 HA3 GLY A 2 -2.609 -4.065 -5.975 1.00 5.21 H new ATOM 27 N VAL A 3 -4.606 -6.455 -5.069 1.00 4.46 N ATOM 28 CA VAL A 3 -5.997 -6.896 -5.094 1.00 4.34 C ATOM 29 C VAL A 3 -6.680 -6.705 -3.742 1.00 3.47 C ATOM 30 O VAL A 3 -7.265 -7.634 -3.183 1.00 3.74 O ATOM 31 CB VAL A 3 -6.115 -8.372 -5.523 1.00 5.24 C ATOM 32 CG1 VAL A 3 -6.146 -8.478 -7.039 1.00 6.05 C ATOM 33 CG2 VAL A 3 -4.975 -9.202 -4.950 1.00 5.84 C ATOM 0 H VAL A 3 -3.931 -7.208 -4.935 1.00 4.46 H new ATOM 0 HA VAL A 3 -6.503 -6.271 -5.830 1.00 4.34 H new ATOM 0 HB VAL A 3 -7.049 -8.769 -5.126 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -6.229 -9.525 -7.329 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -7.003 -7.925 -7.425 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -5.228 -8.059 -7.452 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -5.084 -10.239 -5.269 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -4.023 -8.810 -5.309 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -5.000 -9.153 -3.861 1.00 5.84 H new ATOM 43 N THR A 4 -6.588 -5.496 -3.225 1.00 2.94 N ATOM 44 CA THR A 4 -7.282 -5.124 -2.007 1.00 2.60 C ATOM 45 C THR A 4 -8.296 -4.028 -2.306 1.00 2.42 C ATOM 46 O THR A 4 -9.398 -4.021 -1.766 1.00 3.09 O ATOM 47 CB THR A 4 -6.301 -4.635 -0.924 1.00 2.97 C ATOM 48 OG1 THR A 4 -5.148 -5.490 -0.887 1.00 3.36 O ATOM 49 CG2 THR A 4 -6.965 -4.612 0.445 1.00 3.59 C ATOM 0 H THR A 4 -6.032 -4.746 -3.635 1.00 2.94 H new ATOM 0 HA THR A 4 -7.792 -6.010 -1.629 1.00 2.60 H new ATOM 0 HB THR A 4 -5.996 -3.619 -1.176 1.00 2.97 H new ATOM 0 HG1 THR A 4 -4.528 -5.173 -0.198 1.00 3.36 H new ATOM 0 HG21 THR A 4 -6.250 -4.263 1.190 1.00 3.59 H new ATOM 0 HG22 THR A 4 -7.823 -3.940 0.422 1.00 3.59 H new ATOM 0 HG23 THR A 4 -7.298 -5.617 0.705 1.00 3.59 H new ATOM 57 N GLU A 5 -7.914 -3.116 -3.191 1.00 2.01 N ATOM 58 CA GLU A 5 -8.781 -2.027 -3.609 1.00 1.95 C ATOM 59 C GLU A 5 -8.376 -1.563 -4.999 1.00 2.02 C ATOM 60 O GLU A 5 -7.240 -1.136 -5.210 1.00 2.45 O ATOM 61 CB GLU A 5 -8.693 -0.859 -2.627 1.00 2.25 C ATOM 62 CG GLU A 5 -9.907 -0.728 -1.722 1.00 2.50 C ATOM 63 CD GLU A 5 -9.552 -0.204 -0.347 1.00 3.01 C ATOM 64 OE1 GLU A 5 -8.348 -0.008 -0.070 1.00 3.44 O ATOM 65 OE2 GLU A 5 -10.474 0.025 0.466 1.00 3.47 O ATOM 0 H GLU A 5 -6.997 -3.112 -3.637 1.00 2.01 H new ATOM 0 HA GLU A 5 -9.810 -2.385 -3.627 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -7.803 -0.981 -2.010 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -8.568 0.067 -3.188 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -10.632 -0.059 -2.186 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -10.389 -1.701 -1.623 1.00 2.50 H new ATOM 72 N ALA A 6 -9.291 -1.675 -5.949 1.00 1.93 N ATOM 73 CA ALA A 6 -9.024 -1.255 -7.315 1.00 2.21 C ATOM 74 C ALA A 6 -9.653 0.107 -7.599 1.00 1.87 C ATOM 75 O ALA A 6 -9.097 1.136 -7.222 1.00 2.34 O ATOM 76 CB ALA A 6 -9.518 -2.303 -8.303 1.00 3.01 C ATOM 0 H ALA A 6 -10.226 -2.054 -5.799 1.00 1.93 H new ATOM 0 HA ALA A 6 -7.946 -1.155 -7.438 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -9.309 -1.971 -9.320 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -9.007 -3.248 -8.118 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -10.592 -2.442 -8.180 1.00 3.01 H new ATOM 82 N GLN A 7 -10.818 0.110 -8.243 1.00 1.57 N ATOM 83 CA GLN A 7 -11.484 1.355 -8.619 1.00 1.65 C ATOM 84 C GLN A 7 -12.876 1.081 -9.168 1.00 1.53 C ATOM 85 O GLN A 7 -13.869 1.569 -8.632 1.00 1.80 O ATOM 86 CB GLN A 7 -10.672 2.094 -9.684 1.00 2.14 C ATOM 87 CG GLN A 7 -10.083 3.407 -9.205 1.00 2.64 C ATOM 88 CD GLN A 7 -8.755 3.707 -9.864 1.00 3.04 C ATOM 89 OE1 GLN A 7 -8.656 3.756 -11.090 1.00 3.51 O ATOM 90 NE2 GLN A 7 -7.724 3.896 -9.059 1.00 3.49 N ATOM 0 H GLN A 7 -11.320 -0.735 -8.515 1.00 1.57 H new ATOM 0 HA GLN A 7 -11.564 1.970 -7.723 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -9.864 1.447 -10.025 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -11.311 2.286 -10.546 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -10.783 4.216 -9.415 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -9.951 3.372 -8.124 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -7.851 3.847 -8.048 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -6.802 4.091 -9.449 1.00 3.49 H new ATOM 99 N TYR A 8 -12.919 0.284 -10.236 1.00 1.48 N ATOM 100 CA TYR A 8 -14.142 0.015 -10.995 1.00 1.47 C ATOM 101 C TYR A 8 -15.330 -0.327 -10.093 1.00 1.56 C ATOM 102 O TYR A 8 -16.189 0.524 -9.866 1.00 2.27 O ATOM 103 CB TYR A 8 -13.886 -1.125 -11.983 1.00 1.61 C ATOM 104 CG TYR A 8 -14.955 -1.290 -13.041 1.00 1.62 C ATOM 105 CD1 TYR A 8 -15.467 -0.185 -13.701 1.00 1.71 C ATOM 106 CD2 TYR A 8 -15.458 -2.544 -13.369 1.00 1.79 C ATOM 107 CE1 TYR A 8 -16.448 -0.320 -14.663 1.00 1.89 C ATOM 108 CE2 TYR A 8 -16.438 -2.688 -14.330 1.00 2.00 C ATOM 109 CZ TYR A 8 -16.902 -1.611 -14.995 1.00 2.01 C ATOM 110 OH TYR A 8 -17.899 -1.709 -15.939 1.00 2.32 O ATOM 0 H TYR A 8 -12.098 -0.198 -10.603 1.00 1.48 H new ATOM 0 HA TYR A 8 -14.405 0.927 -11.532 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -12.929 -0.954 -12.475 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -13.796 -2.058 -11.427 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -15.092 0.799 -13.459 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -15.076 -3.419 -12.864 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -16.860 0.550 -15.153 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -16.835 -3.668 -14.550 1.00 2.00 H new ATOM 0 HH TYR A 8 -18.762 -1.831 -15.492 1.00 2.32 H new ATOM 120 N VAL A 9 -15.361 -1.572 -9.593 1.00 1.35 N ATOM 121 CA VAL A 9 -16.450 -2.080 -8.738 1.00 1.47 C ATOM 122 C VAL A 9 -17.846 -1.661 -9.247 1.00 1.51 C ATOM 123 O VAL A 9 -18.778 -1.416 -8.477 1.00 2.13 O ATOM 124 CB VAL A 9 -16.235 -1.675 -7.248 1.00 1.74 C ATOM 125 CG1 VAL A 9 -16.613 -0.228 -6.971 1.00 2.00 C ATOM 126 CG2 VAL A 9 -16.991 -2.614 -6.325 1.00 2.05 C ATOM 0 H VAL A 9 -14.629 -2.260 -9.770 1.00 1.35 H new ATOM 0 HA VAL A 9 -16.415 -3.168 -8.796 1.00 1.47 H new ATOM 0 HB VAL A 9 -15.167 -1.763 -7.048 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -16.443 -0.003 -5.918 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -16.002 0.432 -7.587 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -17.666 -0.075 -7.209 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -16.829 -2.315 -5.289 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -18.056 -2.569 -6.553 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -16.632 -3.633 -6.469 1.00 2.05 H new ATOM 136 N ALA A 10 -17.994 -1.620 -10.566 1.00 1.41 N ATOM 137 CA ALA A 10 -19.241 -1.189 -11.181 1.00 1.50 C ATOM 138 C ALA A 10 -19.699 -2.163 -12.257 1.00 1.34 C ATOM 139 O ALA A 10 -19.416 -1.971 -13.440 1.00 1.73 O ATOM 140 CB ALA A 10 -19.083 0.204 -11.769 1.00 2.09 C ATOM 0 H ALA A 10 -17.264 -1.880 -11.230 1.00 1.41 H new ATOM 0 HA ALA A 10 -20.005 -1.166 -10.404 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -20.023 0.515 -12.226 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -18.815 0.905 -10.978 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -18.298 0.193 -12.525 1.00 2.09 H new ATOM 146 N PRO A 11 -20.400 -3.233 -11.862 1.00 1.24 N ATOM 147 CA PRO A 11 -20.967 -4.193 -12.812 1.00 1.52 C ATOM 148 C PRO A 11 -21.947 -3.511 -13.764 1.00 1.50 C ATOM 149 O PRO A 11 -22.800 -2.727 -13.335 1.00 1.83 O ATOM 150 CB PRO A 11 -21.685 -5.205 -11.919 1.00 1.87 C ATOM 151 CG PRO A 11 -21.059 -5.045 -10.574 1.00 1.88 C ATOM 152 CD PRO A 11 -20.699 -3.595 -10.467 1.00 1.45 C ATOM 0 HA PRO A 11 -20.211 -4.653 -13.448 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.756 -5.008 -11.882 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -21.560 -6.221 -12.294 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -21.750 -5.337 -9.783 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -20.176 -5.676 -10.475 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -21.519 -3.003 -10.062 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -19.840 -3.438 -9.815 1.00 1.45 H new ATOM 160 N THR A 12 -21.826 -3.806 -15.047 1.00 1.33 N ATOM 161 CA THR A 12 -22.560 -3.071 -16.058 1.00 1.44 C ATOM 162 C THR A 12 -24.032 -3.482 -16.133 1.00 1.40 C ATOM 163 O THR A 12 -24.911 -2.619 -16.175 1.00 1.90 O ATOM 164 CB THR A 12 -21.902 -3.222 -17.442 1.00 1.69 C ATOM 165 OG1 THR A 12 -20.677 -3.964 -17.324 1.00 1.79 O ATOM 166 CG2 THR A 12 -21.610 -1.858 -18.046 1.00 2.04 C ATOM 0 H THR A 12 -21.228 -4.548 -15.411 1.00 1.33 H new ATOM 0 HA THR A 12 -22.526 -2.024 -15.758 1.00 1.44 H new ATOM 0 HB THR A 12 -22.592 -3.757 -18.094 1.00 1.69 H new ATOM 0 HG1 THR A 12 -20.864 -4.921 -17.421 1.00 1.79 H new ATOM 0 HG21 THR A 12 -21.145 -1.985 -19.024 1.00 2.04 H new ATOM 0 HG22 THR A 12 -22.541 -1.302 -18.156 1.00 2.04 H new ATOM 0 HG23 THR A 12 -20.934 -1.307 -17.392 1.00 2.04 H new ATOM 174 N ASN A 13 -24.319 -4.780 -16.134 1.00 1.11 N ATOM 175 CA ASN A 13 -25.704 -5.227 -16.308 1.00 1.23 C ATOM 176 C ASN A 13 -26.111 -6.354 -15.356 1.00 1.03 C ATOM 177 O ASN A 13 -25.667 -7.493 -15.504 1.00 1.32 O ATOM 178 CB ASN A 13 -25.942 -5.669 -17.754 1.00 1.71 C ATOM 179 CG ASN A 13 -27.322 -6.272 -17.964 1.00 1.80 C ATOM 180 OD1 ASN A 13 -28.312 -5.810 -17.396 1.00 2.19 O ATOM 181 ND2 ASN A 13 -27.397 -7.308 -18.787 1.00 2.24 N ATOM 0 H ASN A 13 -23.634 -5.527 -16.020 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.329 -4.368 -16.065 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -25.820 -4.812 -18.416 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -25.184 -6.400 -18.036 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -28.298 -7.751 -18.968 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -26.554 -7.662 -19.239 1.00 2.24 H new ATOM 188 N ALA A 14 -26.943 -5.987 -14.374 1.00 1.04 N ATOM 189 CA ALA A 14 -27.747 -6.914 -13.551 1.00 1.05 C ATOM 190 C ALA A 14 -27.012 -8.180 -13.098 1.00 0.96 C ATOM 191 O ALA A 14 -26.485 -8.233 -11.986 1.00 0.91 O ATOM 192 CB ALA A 14 -29.018 -7.293 -14.298 1.00 1.42 C ATOM 0 H ALA A 14 -27.083 -5.010 -14.118 1.00 1.04 H new ATOM 0 HA ALA A 14 -27.977 -6.369 -12.635 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -29.608 -7.977 -13.688 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -29.601 -6.395 -14.504 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -28.756 -7.779 -15.238 1.00 1.42 H new ATOM 198 N VAL A 15 -27.022 -9.202 -13.955 1.00 1.05 N ATOM 199 CA VAL A 15 -26.409 -10.494 -13.647 1.00 1.12 C ATOM 200 C VAL A 15 -24.958 -10.326 -13.212 1.00 0.97 C ATOM 201 O VAL A 15 -24.462 -11.054 -12.349 1.00 0.96 O ATOM 202 CB VAL A 15 -26.462 -11.442 -14.865 1.00 1.38 C ATOM 203 CG1 VAL A 15 -26.156 -12.872 -14.454 1.00 1.45 C ATOM 204 CG2 VAL A 15 -27.817 -11.363 -15.549 1.00 1.99 C ATOM 0 H VAL A 15 -27.453 -9.158 -14.878 1.00 1.05 H new ATOM 0 HA VAL A 15 -26.981 -10.930 -12.828 1.00 1.12 H new ATOM 0 HB VAL A 15 -25.699 -11.121 -15.574 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -26.200 -13.520 -15.330 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -25.159 -12.919 -14.017 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -26.890 -13.205 -13.720 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -27.833 -12.039 -16.404 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -28.597 -11.651 -14.845 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -27.994 -10.343 -15.889 1.00 1.99 H new ATOM 214 N GLU A 16 -24.294 -9.347 -13.809 1.00 0.95 N ATOM 215 CA GLU A 16 -22.920 -9.035 -13.466 1.00 0.94 C ATOM 216 C GLU A 16 -22.813 -8.609 -12.009 1.00 0.83 C ATOM 217 O GLU A 16 -21.941 -9.078 -11.285 1.00 0.86 O ATOM 218 CB GLU A 16 -22.395 -7.924 -14.364 1.00 1.06 C ATOM 219 CG GLU A 16 -22.241 -8.337 -15.814 1.00 1.37 C ATOM 220 CD GLU A 16 -21.351 -7.392 -16.584 1.00 1.45 C ATOM 221 OE1 GLU A 16 -21.625 -6.178 -16.557 1.00 1.53 O ATOM 222 OE2 GLU A 16 -20.379 -7.862 -17.213 1.00 1.93 O ATOM 0 H GLU A 16 -24.690 -8.753 -14.538 1.00 0.95 H new ATOM 0 HA GLU A 16 -22.319 -9.932 -13.614 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -23.073 -7.072 -14.308 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -21.429 -7.589 -13.986 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -21.826 -9.344 -15.861 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -23.223 -8.374 -16.286 1.00 1.37 H new ATOM 229 N SER A 17 -23.716 -7.731 -11.582 1.00 0.83 N ATOM 230 CA SER A 17 -23.715 -7.218 -10.220 1.00 0.89 C ATOM 231 C SER A 17 -23.958 -8.337 -9.215 1.00 0.85 C ATOM 232 O SER A 17 -23.381 -8.340 -8.130 1.00 0.88 O ATOM 233 CB SER A 17 -24.779 -6.125 -10.077 1.00 1.09 C ATOM 234 OG SER A 17 -25.033 -5.504 -11.330 1.00 1.48 O ATOM 0 H SER A 17 -24.463 -7.359 -12.168 1.00 0.83 H new ATOM 0 HA SER A 17 -22.735 -6.790 -10.010 1.00 0.89 H new ATOM 0 HB2 SER A 17 -25.700 -6.556 -9.686 1.00 1.09 H new ATOM 0 HB3 SER A 17 -24.446 -5.378 -9.356 1.00 1.09 H new ATOM 0 HG SER A 17 -25.716 -4.810 -11.219 1.00 1.48 H new ATOM 240 N LYS A 18 -24.792 -9.295 -9.596 1.00 0.85 N ATOM 241 CA LYS A 18 -25.122 -10.416 -8.725 1.00 0.92 C ATOM 242 C LYS A 18 -23.871 -11.220 -8.370 1.00 0.84 C ATOM 243 O LYS A 18 -23.499 -11.332 -7.201 1.00 0.85 O ATOM 244 CB LYS A 18 -26.155 -11.321 -9.402 1.00 1.07 C ATOM 245 CG LYS A 18 -26.418 -12.620 -8.659 1.00 1.38 C ATOM 246 CD LYS A 18 -27.434 -12.428 -7.547 1.00 1.76 C ATOM 247 CE LYS A 18 -27.749 -13.739 -6.849 1.00 2.42 C ATOM 248 NZ LYS A 18 -29.205 -14.033 -6.849 1.00 2.96 N ATOM 0 H LYS A 18 -25.254 -9.319 -10.505 1.00 0.85 H new ATOM 0 HA LYS A 18 -25.545 -10.019 -7.802 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -27.093 -10.774 -9.501 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.814 -11.554 -10.411 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -26.780 -13.374 -9.358 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -25.485 -12.996 -8.240 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -27.050 -11.711 -6.821 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -28.350 -12.004 -7.959 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -27.215 -14.551 -7.344 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -27.387 -13.699 -5.822 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -29.377 -14.936 -6.363 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -29.713 -13.272 -6.355 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -29.546 -14.097 -7.829 1.00 2.96 H new ATOM 262 N LEU A 19 -23.213 -11.756 -9.390 1.00 0.82 N ATOM 263 CA LEU A 19 -22.062 -12.627 -9.185 1.00 0.84 C ATOM 264 C LEU A 19 -20.862 -11.849 -8.651 1.00 0.80 C ATOM 265 O LEU A 19 -20.142 -12.327 -7.775 1.00 0.82 O ATOM 266 CB LEU A 19 -21.699 -13.329 -10.494 1.00 0.96 C ATOM 267 CG LEU A 19 -22.780 -14.255 -11.054 1.00 1.16 C ATOM 268 CD1 LEU A 19 -22.644 -14.387 -12.564 1.00 1.73 C ATOM 269 CD2 LEU A 19 -22.701 -15.623 -10.393 1.00 1.81 C ATOM 0 H LEU A 19 -23.457 -11.603 -10.369 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.332 -13.374 -8.439 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.468 -12.571 -11.243 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.790 -13.910 -10.337 1.00 0.96 H new ATOM 0 HG LEU A 19 -23.754 -13.818 -10.834 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -23.422 -15.050 -12.943 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -22.747 -13.405 -13.026 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -21.665 -14.801 -12.806 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -23.477 -16.270 -10.802 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -21.723 -16.064 -10.584 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -22.847 -15.517 -9.318 1.00 1.81 H new ATOM 281 N ALA A 20 -20.660 -10.647 -9.173 1.00 0.82 N ATOM 282 CA ALA A 20 -19.521 -9.829 -8.783 1.00 0.91 C ATOM 283 C ALA A 20 -19.598 -9.431 -7.318 1.00 0.84 C ATOM 284 O ALA A 20 -18.644 -9.632 -6.573 1.00 0.87 O ATOM 285 CB ALA A 20 -19.417 -8.593 -9.662 1.00 1.08 C ATOM 0 H ALA A 20 -21.271 -10.217 -9.868 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.623 -10.431 -8.921 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -18.559 -7.997 -9.352 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -19.292 -8.895 -10.702 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -20.326 -7.999 -9.564 1.00 1.08 H new ATOM 291 N GLU A 21 -20.739 -8.893 -6.902 1.00 0.85 N ATOM 292 CA GLU A 21 -20.890 -8.383 -5.544 1.00 0.94 C ATOM 293 C GLU A 21 -20.725 -9.492 -4.511 1.00 0.84 C ATOM 294 O GLU A 21 -20.084 -9.295 -3.482 1.00 0.85 O ATOM 295 CB GLU A 21 -22.247 -7.702 -5.376 1.00 1.13 C ATOM 296 CG GLU A 21 -22.243 -6.240 -5.790 1.00 1.72 C ATOM 297 CD GLU A 21 -23.586 -5.572 -5.590 1.00 2.05 C ATOM 298 OE1 GLU A 21 -24.134 -5.648 -4.468 1.00 2.14 O ATOM 299 OE2 GLU A 21 -24.108 -4.976 -6.552 1.00 2.69 O ATOM 0 H GLU A 21 -21.571 -8.799 -7.484 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.102 -7.648 -5.377 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -22.990 -8.237 -5.967 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -22.556 -7.776 -4.333 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -21.487 -5.706 -5.214 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -21.957 -6.165 -6.839 1.00 1.72 H new ATOM 306 N ILE A 22 -21.285 -10.664 -4.788 1.00 0.83 N ATOM 307 CA ILE A 22 -21.158 -11.788 -3.868 1.00 0.91 C ATOM 308 C ILE A 22 -19.688 -12.179 -3.705 1.00 0.82 C ATOM 309 O ILE A 22 -19.207 -12.396 -2.593 1.00 0.86 O ATOM 310 CB ILE A 22 -21.975 -13.015 -4.341 1.00 1.09 C ATOM 311 CG1 ILE A 22 -23.473 -12.702 -4.299 1.00 1.25 C ATOM 312 CG2 ILE A 22 -21.663 -14.235 -3.479 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.324 -13.721 -5.028 1.00 1.91 C ATOM 0 H ILE A 22 -21.825 -10.860 -5.631 1.00 0.83 H new ATOM 0 HA ILE A 22 -21.559 -11.467 -2.907 1.00 0.91 H new ATOM 0 HB ILE A 22 -21.693 -13.241 -5.369 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -23.796 -12.648 -3.259 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -23.643 -11.718 -4.737 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -22.247 -15.086 -3.828 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -20.601 -14.470 -3.552 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -21.917 -14.022 -2.441 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.374 -13.436 -4.957 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -24.028 -13.759 -6.076 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -24.183 -14.703 -4.576 1.00 1.91 H new ATOM 325 N TRP A 23 -18.971 -12.225 -4.817 1.00 0.79 N ATOM 326 CA TRP A 23 -17.585 -12.665 -4.813 1.00 0.84 C ATOM 327 C TRP A 23 -16.655 -11.626 -4.190 1.00 0.82 C ATOM 328 O TRP A 23 -15.844 -11.951 -3.328 1.00 0.94 O ATOM 329 CB TRP A 23 -17.126 -12.979 -6.237 1.00 0.90 C ATOM 330 CG TRP A 23 -17.195 -14.435 -6.573 1.00 0.98 C ATOM 331 CD1 TRP A 23 -18.138 -15.054 -7.343 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.285 -15.456 -6.149 1.00 0.95 C ATOM 333 NE1 TRP A 23 -17.868 -16.398 -7.423 1.00 1.33 N ATOM 334 CE2 TRP A 23 -16.735 -16.670 -6.699 1.00 1.14 C ATOM 335 CE3 TRP A 23 -15.132 -15.461 -5.358 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -16.073 -17.875 -6.484 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -14.476 -16.658 -5.145 1.00 1.16 C ATOM 338 CH2 TRP A 23 -14.949 -17.850 -5.706 1.00 1.24 C ATOM 0 H TRP A 23 -19.327 -11.962 -5.736 1.00 0.79 H new ATOM 0 HA TRP A 23 -17.534 -13.567 -4.203 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.743 -12.421 -6.942 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -16.101 -12.632 -6.366 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -18.972 -14.560 -7.818 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -18.421 -17.084 -7.938 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -14.761 -14.546 -4.921 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -16.434 -18.797 -6.916 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -13.584 -16.674 -4.536 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -14.414 -18.770 -5.520 1.00 1.24 H new ATOM 349 N GLU A 24 -16.776 -10.380 -4.613 1.00 0.80 N ATOM 350 CA GLU A 24 -15.815 -9.355 -4.223 1.00 0.93 C ATOM 351 C GLU A 24 -16.161 -8.705 -2.882 1.00 0.90 C ATOM 352 O GLU A 24 -15.273 -8.221 -2.181 1.00 1.04 O ATOM 353 CB GLU A 24 -15.699 -8.297 -5.323 1.00 1.20 C ATOM 354 CG GLU A 24 -16.877 -7.338 -5.394 1.00 1.75 C ATOM 355 CD GLU A 24 -16.485 -5.924 -5.041 1.00 2.29 C ATOM 356 OE1 GLU A 24 -15.397 -5.490 -5.465 1.00 2.65 O ATOM 357 OE2 GLU A 24 -17.258 -5.247 -4.327 1.00 2.78 O ATOM 0 H GLU A 24 -17.524 -10.052 -5.223 1.00 0.80 H new ATOM 0 HA GLU A 24 -14.851 -9.847 -4.093 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -14.787 -7.722 -5.164 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -15.596 -8.799 -6.285 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -17.298 -7.356 -6.399 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -17.660 -7.676 -4.715 1.00 1.75 H new ATOM 364 N ARG A 25 -17.437 -8.698 -2.516 1.00 0.97 N ATOM 365 CA ARG A 25 -17.858 -8.045 -1.279 1.00 1.16 C ATOM 366 C ARG A 25 -18.041 -9.052 -0.148 1.00 1.21 C ATOM 367 O ARG A 25 -17.546 -8.849 0.958 1.00 1.50 O ATOM 368 CB ARG A 25 -19.156 -7.263 -1.493 1.00 1.41 C ATOM 369 CG ARG A 25 -18.948 -5.764 -1.636 1.00 1.99 C ATOM 370 CD ARG A 25 -19.713 -4.985 -0.576 1.00 2.67 C ATOM 371 NE ARG A 25 -21.127 -4.835 -0.915 1.00 3.12 N ATOM 372 CZ ARG A 25 -21.879 -3.802 -0.544 1.00 3.67 C ATOM 373 NH1 ARG A 25 -21.341 -2.788 0.130 1.00 3.90 N ATOM 374 NH2 ARG A 25 -23.165 -3.775 -0.878 1.00 4.40 N ATOM 0 H ARG A 25 -18.191 -9.131 -3.049 1.00 0.97 H new ATOM 0 HA ARG A 25 -17.067 -7.351 -0.994 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -19.653 -7.639 -2.387 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -19.825 -7.450 -0.653 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -17.885 -5.535 -1.559 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -19.272 -5.445 -2.627 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -19.623 -5.495 0.383 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -19.263 -3.999 -0.456 1.00 2.67 H new ATOM 0 HE ARG A 25 -21.565 -5.569 -1.471 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -20.348 -2.801 0.364 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -21.921 -1.998 0.412 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -23.569 -4.543 -1.415 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -23.748 -2.987 -0.597 1.00 4.40 H new ATOM 388 N VAL A 26 -18.748 -10.139 -0.425 1.00 1.11 N ATOM 389 CA VAL A 26 -19.049 -11.125 0.608 1.00 1.34 C ATOM 390 C VAL A 26 -17.911 -12.129 0.776 1.00 1.36 C ATOM 391 O VAL A 26 -17.481 -12.410 1.895 1.00 1.78 O ATOM 392 CB VAL A 26 -20.356 -11.887 0.302 1.00 1.54 C ATOM 393 CG1 VAL A 26 -20.825 -12.664 1.525 1.00 2.01 C ATOM 394 CG2 VAL A 26 -21.442 -10.931 -0.170 1.00 1.66 C ATOM 0 H VAL A 26 -19.122 -10.361 -1.348 1.00 1.11 H new ATOM 0 HA VAL A 26 -19.171 -10.569 1.538 1.00 1.34 H new ATOM 0 HB VAL A 26 -20.153 -12.597 -0.500 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -21.748 -13.194 1.288 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -20.058 -13.382 1.816 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -21.005 -11.973 2.348 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -22.354 -11.491 -0.380 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -21.640 -10.193 0.607 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -21.111 -10.424 -1.076 1.00 1.66 H new ATOM 404 N LEU A 27 -17.426 -12.665 -0.336 1.00 1.20 N ATOM 405 CA LEU A 27 -16.398 -13.701 -0.299 1.00 1.40 C ATOM 406 C LEU A 27 -15.004 -13.113 -0.068 1.00 1.42 C ATOM 407 O LEU A 27 -14.373 -13.367 0.960 1.00 1.89 O ATOM 408 CB LEU A 27 -16.415 -14.507 -1.605 1.00 1.51 C ATOM 409 CG LEU A 27 -16.961 -15.933 -1.497 1.00 2.02 C ATOM 410 CD1 LEU A 27 -15.972 -16.830 -0.773 1.00 2.17 C ATOM 411 CD2 LEU A 27 -18.307 -15.946 -0.789 1.00 2.85 C ATOM 0 H LEU A 27 -17.726 -12.401 -1.274 1.00 1.20 H new ATOM 0 HA LEU A 27 -16.624 -14.359 0.540 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -17.011 -13.964 -2.338 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -15.398 -14.555 -1.994 1.00 1.51 H new ATOM 0 HG LEU A 27 -17.103 -16.318 -2.507 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -16.378 -17.839 -0.706 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -15.031 -16.853 -1.323 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -15.796 -16.442 0.230 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -18.674 -16.970 -0.725 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -18.194 -15.537 0.215 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -19.019 -15.340 -1.349 1.00 2.85 H new ATOM 423 N GLY A 28 -14.528 -12.340 -1.032 1.00 1.29 N ATOM 424 CA GLY A 28 -13.182 -11.804 -0.962 1.00 1.52 C ATOM 425 C GLY A 28 -13.058 -10.613 -0.031 1.00 1.37 C ATOM 426 O GLY A 28 -12.092 -10.520 0.725 1.00 1.73 O ATOM 0 H GLY A 28 -15.051 -12.072 -1.866 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -12.503 -12.589 -0.629 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -12.863 -11.509 -1.962 1.00 1.52 H new ATOM 430 N VAL A 29 -14.043 -9.717 -0.084 1.00 1.31 N ATOM 431 CA VAL A 29 -14.025 -8.475 0.693 1.00 1.31 C ATOM 432 C VAL A 29 -12.862 -7.592 0.249 1.00 1.43 C ATOM 433 O VAL A 29 -11.787 -7.606 0.848 1.00 1.90 O ATOM 434 CB VAL A 29 -13.931 -8.731 2.216 1.00 1.49 C ATOM 435 CG1 VAL A 29 -14.080 -7.431 2.994 1.00 1.78 C ATOM 436 CG2 VAL A 29 -14.980 -9.741 2.659 1.00 1.92 C ATOM 0 H VAL A 29 -14.874 -9.830 -0.664 1.00 1.31 H new ATOM 0 HA VAL A 29 -14.971 -7.968 0.503 1.00 1.31 H new ATOM 0 HB VAL A 29 -12.945 -9.145 2.428 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -14.011 -7.636 4.062 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -13.287 -6.741 2.705 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -15.049 -6.984 2.773 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -14.896 -9.906 3.733 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -15.974 -9.358 2.428 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -14.823 -10.683 2.134 1.00 1.92 H new ATOM 446 N SER A 30 -13.076 -6.834 -0.819 1.00 1.40 N ATOM 447 CA SER A 30 -12.015 -6.012 -1.384 1.00 1.56 C ATOM 448 C SER A 30 -12.571 -4.766 -2.080 1.00 1.53 C ATOM 449 O SER A 30 -12.650 -3.692 -1.485 1.00 2.21 O ATOM 450 CB SER A 30 -11.191 -6.846 -2.370 1.00 1.76 C ATOM 451 OG SER A 30 -11.886 -8.032 -2.724 1.00 1.94 O ATOM 0 H SER A 30 -13.969 -6.772 -1.308 1.00 1.40 H new ATOM 0 HA SER A 30 -11.378 -5.672 -0.567 1.00 1.56 H new ATOM 0 HB2 SER A 30 -10.982 -6.260 -3.265 1.00 1.76 H new ATOM 0 HB3 SER A 30 -10.229 -7.101 -1.924 1.00 1.76 H new ATOM 0 HG SER A 30 -11.346 -8.552 -3.356 1.00 1.94 H new ATOM 457 N GLY A 31 -12.984 -4.929 -3.329 1.00 1.30 N ATOM 458 CA GLY A 31 -13.333 -3.792 -4.160 1.00 1.27 C ATOM 459 C GLY A 31 -12.540 -3.822 -5.447 1.00 1.21 C ATOM 460 O GLY A 31 -11.621 -3.025 -5.643 1.00 1.58 O ATOM 0 H GLY A 31 -13.084 -5.836 -3.785 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -14.400 -3.808 -4.382 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -13.133 -2.865 -3.623 1.00 1.27 H new ATOM 464 N ILE A 32 -12.894 -4.747 -6.320 1.00 1.13 N ATOM 465 CA ILE A 32 -12.068 -5.077 -7.472 1.00 1.29 C ATOM 466 C ILE A 32 -12.520 -4.348 -8.744 1.00 1.38 C ATOM 467 O ILE A 32 -13.538 -3.658 -8.759 1.00 2.01 O ATOM 468 CB ILE A 32 -12.050 -6.611 -7.696 1.00 1.71 C ATOM 469 CG1 ILE A 32 -10.719 -7.049 -8.311 1.00 2.68 C ATOM 470 CG2 ILE A 32 -13.223 -7.067 -8.557 1.00 2.03 C ATOM 471 CD1 ILE A 32 -9.530 -6.818 -7.405 1.00 3.56 C ATOM 0 H ILE A 32 -13.756 -5.289 -6.254 1.00 1.13 H new ATOM 0 HA ILE A 32 -11.056 -4.735 -7.255 1.00 1.29 H new ATOM 0 HB ILE A 32 -12.155 -7.090 -6.722 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -10.775 -8.108 -8.561 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -10.564 -6.509 -9.245 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -13.177 -8.148 -8.692 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -14.159 -6.803 -8.066 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -13.173 -6.577 -9.529 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -8.621 -7.152 -7.905 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -9.449 -5.756 -7.175 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -9.662 -7.380 -6.481 1.00 3.56 H new ATOM 483 N GLY A 33 -11.735 -4.496 -9.806 1.00 1.59 N ATOM 484 CA GLY A 33 -12.046 -3.859 -11.065 1.00 1.93 C ATOM 485 C GLY A 33 -11.483 -4.632 -12.235 1.00 1.81 C ATOM 486 O GLY A 33 -10.740 -5.596 -12.043 1.00 2.28 O ATOM 0 H GLY A 33 -10.880 -5.053 -9.812 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -13.127 -3.773 -11.172 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -11.643 -2.846 -11.070 1.00 1.93 H new ATOM 490 N ILE A 34 -11.814 -4.208 -13.446 1.00 1.73 N ATOM 491 CA ILE A 34 -11.379 -4.915 -14.644 1.00 1.78 C ATOM 492 C ILE A 34 -9.989 -4.443 -15.071 1.00 1.93 C ATOM 493 O ILE A 34 -9.826 -3.765 -16.086 1.00 2.58 O ATOM 494 CB ILE A 34 -12.379 -4.734 -15.813 1.00 1.94 C ATOM 495 CG1 ILE A 34 -13.820 -4.921 -15.328 1.00 2.07 C ATOM 496 CG2 ILE A 34 -12.070 -5.708 -16.943 1.00 2.43 C ATOM 497 CD1 ILE A 34 -14.089 -6.270 -14.694 1.00 2.67 C ATOM 0 H ILE A 34 -12.381 -3.380 -13.626 1.00 1.73 H new ATOM 0 HA ILE A 34 -11.338 -5.976 -14.397 1.00 1.78 H new ATOM 0 HB ILE A 34 -12.272 -3.718 -16.194 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -14.053 -4.139 -14.605 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -14.496 -4.787 -16.172 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -12.784 -5.564 -17.753 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -11.061 -5.528 -17.313 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -12.144 -6.730 -16.572 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -15.131 -6.322 -14.378 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -13.890 -7.059 -15.419 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -13.440 -6.401 -13.828 1.00 2.67 H new ATOM 509 N LEU A 35 -8.998 -4.784 -14.262 1.00 1.70 N ATOM 510 CA LEU A 35 -7.606 -4.454 -14.545 1.00 1.89 C ATOM 511 C LEU A 35 -6.724 -5.620 -14.124 1.00 1.85 C ATOM 512 O LEU A 35 -6.123 -6.297 -14.954 1.00 2.19 O ATOM 513 CB LEU A 35 -7.182 -3.184 -13.796 1.00 2.03 C ATOM 514 CG LEU A 35 -8.067 -1.959 -14.027 1.00 1.96 C ATOM 515 CD1 LEU A 35 -8.484 -1.343 -12.699 1.00 2.44 C ATOM 516 CD2 LEU A 35 -7.343 -0.939 -14.895 1.00 2.46 C ATOM 0 H LEU A 35 -9.134 -5.297 -13.391 1.00 1.70 H new ATOM 0 HA LEU A 35 -7.496 -4.270 -15.614 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -7.164 -3.402 -12.728 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -6.162 -2.934 -14.088 1.00 2.03 H new ATOM 0 HG LEU A 35 -8.969 -2.275 -14.551 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -9.113 -0.472 -12.883 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -9.041 -2.077 -12.117 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -7.596 -1.038 -12.145 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -7.986 -0.072 -15.051 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -6.425 -0.625 -14.399 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -7.100 -1.388 -15.858 1.00 2.46 H new ATOM 528 N ASP A 36 -6.667 -5.849 -12.823 1.00 1.95 N ATOM 529 CA ASP A 36 -5.992 -7.011 -12.269 1.00 2.14 C ATOM 530 C ASP A 36 -6.923 -7.678 -11.271 1.00 1.49 C ATOM 531 O ASP A 36 -7.722 -7.002 -10.619 1.00 1.80 O ATOM 532 CB ASP A 36 -4.680 -6.610 -11.590 1.00 3.20 C ATOM 533 CG ASP A 36 -3.919 -7.803 -11.040 1.00 3.75 C ATOM 534 OD1 ASP A 36 -3.293 -8.529 -11.835 1.00 4.20 O ATOM 535 OD2 ASP A 36 -3.958 -8.026 -9.810 1.00 4.01 O ATOM 0 H ASP A 36 -7.086 -5.237 -12.123 1.00 1.95 H new ATOM 0 HA ASP A 36 -5.746 -7.706 -13.072 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -4.051 -6.081 -12.306 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -4.893 -5.914 -10.779 1.00 3.20 H new ATOM 540 N ASN A 37 -6.842 -8.989 -11.160 1.00 1.38 N ATOM 541 CA ASN A 37 -7.762 -9.727 -10.315 1.00 1.74 C ATOM 542 C ASN A 37 -7.067 -10.905 -9.660 1.00 1.40 C ATOM 543 O ASN A 37 -6.013 -11.340 -10.114 1.00 1.90 O ATOM 544 CB ASN A 37 -8.953 -10.215 -11.140 1.00 2.65 C ATOM 545 CG ASN A 37 -10.230 -10.294 -10.329 1.00 3.55 C ATOM 546 OD1 ASN A 37 -10.388 -11.172 -9.477 1.00 4.12 O ATOM 547 ND2 ASN A 37 -11.156 -9.392 -10.600 1.00 4.13 N ATOM 0 H ASN A 37 -6.151 -9.564 -11.642 1.00 1.38 H new ATOM 0 HA ASN A 37 -8.118 -9.059 -9.531 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -9.105 -9.543 -11.985 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -8.727 -11.199 -11.551 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -12.043 -9.405 -10.097 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -10.984 -8.683 -11.313 1.00 4.13 H new ATOM 554 N PHE A 38 -7.661 -11.412 -8.593 1.00 1.23 N ATOM 555 CA PHE A 38 -7.111 -12.556 -7.884 1.00 1.41 C ATOM 556 C PHE A 38 -7.853 -13.828 -8.269 1.00 1.51 C ATOM 557 O PHE A 38 -7.363 -14.935 -8.053 1.00 2.27 O ATOM 558 CB PHE A 38 -7.184 -12.337 -6.365 1.00 1.89 C ATOM 559 CG PHE A 38 -8.554 -11.968 -5.856 1.00 1.43 C ATOM 560 CD1 PHE A 38 -8.977 -10.646 -5.849 1.00 1.62 C ATOM 561 CD2 PHE A 38 -9.419 -12.943 -5.378 1.00 1.78 C ATOM 562 CE1 PHE A 38 -10.231 -10.304 -5.381 1.00 2.03 C ATOM 563 CE2 PHE A 38 -10.676 -12.607 -4.907 1.00 1.88 C ATOM 564 CZ PHE A 38 -11.082 -11.285 -4.910 1.00 1.97 C ATOM 0 H PHE A 38 -8.528 -11.048 -8.197 1.00 1.23 H new ATOM 0 HA PHE A 38 -6.064 -12.663 -8.168 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -6.856 -13.247 -5.862 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -6.483 -11.550 -6.089 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -8.316 -9.874 -6.215 1.00 1.62 H new ATOM 0 HD2 PHE A 38 -9.107 -13.977 -5.374 1.00 1.78 H new ATOM 0 HE1 PHE A 38 -10.546 -9.271 -5.383 1.00 2.03 H new ATOM 0 HE2 PHE A 38 -11.339 -13.376 -4.538 1.00 1.88 H new ATOM 0 HZ PHE A 38 -12.063 -11.020 -4.545 1.00 1.97 H new ATOM 574 N PHE A 39 -9.032 -13.658 -8.854 1.00 1.24 N ATOM 575 CA PHE A 39 -9.886 -14.784 -9.204 1.00 1.51 C ATOM 576 C PHE A 39 -10.344 -14.683 -10.663 1.00 1.25 C ATOM 577 O PHE A 39 -10.273 -15.657 -11.415 1.00 1.22 O ATOM 578 CB PHE A 39 -11.063 -14.848 -8.209 1.00 2.01 C ATOM 579 CG PHE A 39 -12.418 -15.145 -8.797 1.00 1.77 C ATOM 580 CD1 PHE A 39 -12.735 -16.415 -9.247 1.00 1.63 C ATOM 581 CD2 PHE A 39 -13.384 -14.154 -8.872 1.00 1.94 C ATOM 582 CE1 PHE A 39 -13.985 -16.690 -9.770 1.00 1.63 C ATOM 583 CE2 PHE A 39 -14.635 -14.425 -9.390 1.00 1.93 C ATOM 584 CZ PHE A 39 -14.937 -15.694 -9.839 1.00 1.75 C ATOM 0 H PHE A 39 -9.419 -12.746 -9.097 1.00 1.24 H new ATOM 0 HA PHE A 39 -9.330 -15.718 -9.126 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -10.839 -15.610 -7.463 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -11.119 -13.895 -7.684 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -11.997 -17.201 -9.189 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -13.156 -13.158 -8.521 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -14.216 -17.684 -10.124 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -15.378 -13.643 -9.444 1.00 1.93 H new ATOM 0 HZ PHE A 39 -15.916 -15.907 -10.243 1.00 1.75 H new ATOM 594 N GLN A 40 -10.775 -13.497 -11.078 1.00 1.25 N ATOM 595 CA GLN A 40 -11.195 -13.281 -12.461 1.00 1.25 C ATOM 596 C GLN A 40 -9.985 -13.015 -13.357 1.00 1.28 C ATOM 597 O GLN A 40 -9.862 -11.938 -13.940 1.00 1.93 O ATOM 598 CB GLN A 40 -12.170 -12.103 -12.558 1.00 1.46 C ATOM 599 CG GLN A 40 -13.523 -12.357 -11.916 1.00 1.85 C ATOM 600 CD GLN A 40 -14.118 -11.100 -11.308 1.00 1.75 C ATOM 601 OE1 GLN A 40 -13.911 -9.996 -11.807 1.00 2.39 O ATOM 602 NE2 GLN A 40 -14.859 -11.258 -10.223 1.00 1.80 N ATOM 0 H GLN A 40 -10.843 -12.673 -10.481 1.00 1.25 H new ATOM 0 HA GLN A 40 -11.699 -14.186 -12.799 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -11.716 -11.231 -12.088 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -12.320 -11.856 -13.609 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -14.208 -12.755 -12.664 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -13.418 -13.118 -11.142 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -15.008 -12.191 -9.838 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -15.281 -10.447 -9.771 1.00 1.80 H new ATOM 611 N ILE A 41 -9.091 -13.991 -13.457 1.00 1.12 N ATOM 612 CA ILE A 41 -7.885 -13.838 -14.268 1.00 1.27 C ATOM 613 C ILE A 41 -7.141 -15.164 -14.441 1.00 1.35 C ATOM 614 O ILE A 41 -6.370 -15.333 -15.388 1.00 1.77 O ATOM 615 CB ILE A 41 -6.933 -12.771 -13.669 1.00 1.70 C ATOM 616 CG1 ILE A 41 -6.101 -12.119 -14.777 1.00 2.36 C ATOM 617 CG2 ILE A 41 -6.028 -13.373 -12.599 1.00 2.27 C ATOM 618 CD1 ILE A 41 -6.737 -10.876 -15.363 1.00 3.23 C ATOM 0 H ILE A 41 -9.176 -14.894 -12.990 1.00 1.12 H new ATOM 0 HA ILE A 41 -8.212 -13.502 -15.252 1.00 1.27 H new ATOM 0 HB ILE A 41 -7.543 -12.004 -13.192 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -5.120 -11.861 -14.379 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -5.941 -12.845 -15.574 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -5.373 -12.599 -12.199 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -6.639 -13.783 -11.795 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -5.425 -14.168 -13.038 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -6.091 -10.469 -16.141 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -7.706 -11.131 -15.792 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -6.872 -10.132 -14.578 1.00 3.23 H new ATOM 630 N GLY A 42 -7.374 -16.104 -13.530 1.00 1.60 N ATOM 631 CA GLY A 42 -6.708 -17.389 -13.614 1.00 1.96 C ATOM 632 C GLY A 42 -6.692 -18.111 -12.285 1.00 1.64 C ATOM 633 O GLY A 42 -6.819 -19.337 -12.234 1.00 2.06 O ATOM 0 H GLY A 42 -8.009 -15.999 -12.739 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -7.210 -18.009 -14.357 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -5.684 -17.244 -13.959 1.00 1.96 H new ATOM 637 N GLY A 43 -6.530 -17.349 -11.210 1.00 1.60 N ATOM 638 CA GLY A 43 -6.556 -17.920 -9.879 1.00 1.92 C ATOM 639 C GLY A 43 -7.900 -18.527 -9.553 1.00 1.62 C ATOM 640 O GLY A 43 -8.940 -17.901 -9.760 1.00 2.17 O ATOM 0 H GLY A 43 -6.380 -16.340 -11.238 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -5.783 -18.684 -9.797 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -6.320 -17.147 -9.148 1.00 1.92 H new ATOM 644 N HIS A 44 -7.886 -19.748 -9.052 1.00 1.25 N ATOM 645 CA HIS A 44 -9.118 -20.455 -8.741 1.00 1.22 C ATOM 646 C HIS A 44 -9.247 -20.656 -7.241 1.00 1.13 C ATOM 647 O HIS A 44 -8.607 -21.535 -6.660 1.00 1.36 O ATOM 648 CB HIS A 44 -9.209 -21.802 -9.487 1.00 1.54 C ATOM 649 CG HIS A 44 -7.944 -22.611 -9.513 1.00 1.39 C ATOM 650 ND1 HIS A 44 -7.826 -23.840 -8.897 1.00 1.94 N ATOM 651 CD2 HIS A 44 -6.748 -22.375 -10.102 1.00 1.92 C ATOM 652 CE1 HIS A 44 -6.613 -24.318 -9.104 1.00 2.26 C ATOM 653 NE2 HIS A 44 -5.943 -23.447 -9.830 1.00 2.26 N ATOM 0 H HIS A 44 -7.035 -20.273 -8.851 1.00 1.25 H new ATOM 0 HA HIS A 44 -9.950 -19.840 -9.084 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -9.994 -22.401 -9.026 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -9.518 -21.609 -10.514 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -6.479 -21.503 -10.679 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -6.235 -25.262 -8.740 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -4.977 -23.555 -10.140 1.00 2.26 H new ATOM 662 N SER A 45 -10.054 -19.812 -6.619 1.00 1.01 N ATOM 663 CA SER A 45 -10.310 -19.881 -5.192 1.00 1.10 C ATOM 664 C SER A 45 -10.968 -21.206 -4.817 1.00 1.13 C ATOM 665 O SER A 45 -11.629 -21.837 -5.646 1.00 1.31 O ATOM 666 CB SER A 45 -11.211 -18.714 -4.801 1.00 1.19 C ATOM 667 OG SER A 45 -11.521 -17.927 -5.944 1.00 1.19 O ATOM 0 H SER A 45 -10.551 -19.058 -7.092 1.00 1.01 H new ATOM 0 HA SER A 45 -9.364 -19.819 -4.654 1.00 1.10 H new ATOM 0 HB2 SER A 45 -12.129 -19.090 -4.350 1.00 1.19 H new ATOM 0 HB3 SER A 45 -10.715 -18.098 -4.050 1.00 1.19 H new ATOM 0 HG SER A 45 -12.431 -17.574 -5.861 1.00 1.19 H new ATOM 673 N LEU A 46 -10.791 -21.623 -3.570 1.00 1.21 N ATOM 674 CA LEU A 46 -11.350 -22.882 -3.101 1.00 1.32 C ATOM 675 C LEU A 46 -12.855 -22.758 -2.909 1.00 1.35 C ATOM 676 O LEU A 46 -13.330 -22.360 -1.844 1.00 1.77 O ATOM 677 CB LEU A 46 -10.684 -23.313 -1.796 1.00 1.50 C ATOM 678 CG LEU A 46 -10.240 -24.776 -1.755 1.00 1.83 C ATOM 679 CD1 LEU A 46 -8.908 -24.944 -2.468 1.00 2.37 C ATOM 680 CD2 LEU A 46 -10.144 -25.264 -0.319 1.00 2.35 C ATOM 0 H LEU A 46 -10.264 -21.107 -2.866 1.00 1.21 H new ATOM 0 HA LEU A 46 -11.157 -23.644 -3.856 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -9.815 -22.679 -1.622 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -11.378 -23.135 -0.974 1.00 1.50 H new ATOM 0 HG LEU A 46 -10.986 -25.380 -2.271 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -8.605 -25.990 -2.431 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -9.010 -24.633 -3.508 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -8.153 -24.330 -1.978 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -9.827 -26.307 -0.310 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -9.417 -24.659 0.223 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -11.119 -25.177 0.161 1.00 2.35 H new ATOM 692 N LYS A 47 -13.597 -23.084 -3.956 1.00 1.23 N ATOM 693 CA LYS A 47 -15.045 -22.997 -3.930 1.00 1.28 C ATOM 694 C LYS A 47 -15.647 -23.936 -4.967 1.00 1.27 C ATOM 695 O LYS A 47 -14.991 -24.287 -5.953 1.00 1.27 O ATOM 696 CB LYS A 47 -15.490 -21.558 -4.211 1.00 1.30 C ATOM 697 CG LYS A 47 -16.352 -20.956 -3.115 1.00 1.49 C ATOM 698 CD LYS A 47 -17.391 -20.007 -3.688 1.00 1.72 C ATOM 699 CE LYS A 47 -18.333 -19.498 -2.612 1.00 1.61 C ATOM 700 NZ LYS A 47 -19.699 -19.264 -3.145 1.00 2.27 N ATOM 0 H LYS A 47 -13.213 -23.414 -4.842 1.00 1.23 H new ATOM 0 HA LYS A 47 -15.395 -23.292 -2.941 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -14.606 -20.935 -4.348 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -16.044 -21.536 -5.149 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -16.850 -21.753 -2.562 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -15.721 -20.422 -2.405 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -16.891 -19.163 -4.164 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -17.963 -20.517 -4.463 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -18.379 -20.220 -1.797 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -17.941 -18.571 -2.194 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -20.315 -18.917 -2.382 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -19.658 -18.556 -3.906 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -20.082 -20.155 -3.521 1.00 2.27 H new ATOM 714 N ALA A 48 -16.895 -24.334 -4.744 1.00 1.33 N ATOM 715 CA ALA A 48 -17.616 -25.193 -5.678 1.00 1.38 C ATOM 716 C ALA A 48 -17.732 -24.536 -7.049 1.00 1.18 C ATOM 717 O ALA A 48 -17.850 -25.216 -8.070 1.00 1.05 O ATOM 718 CB ALA A 48 -18.996 -25.521 -5.127 1.00 1.64 C ATOM 0 H ALA A 48 -17.432 -24.073 -3.917 1.00 1.33 H new ATOM 0 HA ALA A 48 -17.053 -26.119 -5.796 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -19.526 -26.162 -5.831 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -18.893 -26.037 -4.172 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -19.559 -24.599 -4.982 1.00 1.64 H new ATOM 724 N MET A 49 -17.683 -23.209 -7.066 1.00 1.20 N ATOM 725 CA MET A 49 -17.724 -22.453 -8.310 1.00 1.09 C ATOM 726 C MET A 49 -16.507 -22.774 -9.174 1.00 0.94 C ATOM 727 O MET A 49 -16.598 -22.827 -10.399 1.00 0.85 O ATOM 728 CB MET A 49 -17.780 -20.953 -8.017 1.00 1.22 C ATOM 729 CG MET A 49 -18.130 -20.109 -9.232 1.00 1.35 C ATOM 730 SD MET A 49 -19.271 -18.772 -8.838 1.00 1.95 S ATOM 731 CE MET A 49 -19.993 -18.464 -10.449 1.00 2.58 C ATOM 0 H MET A 49 -17.614 -22.633 -6.227 1.00 1.20 H new ATOM 0 HA MET A 49 -18.622 -22.739 -8.857 1.00 1.09 H new ATOM 0 HB2 MET A 49 -18.516 -20.771 -7.234 1.00 1.22 H new ATOM 0 HB3 MET A 49 -16.814 -20.631 -7.627 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.217 -19.690 -9.655 1.00 1.35 H new ATOM 0 HG3 MET A 49 -18.573 -20.746 -9.998 1.00 1.35 H new ATOM 0 HE1 MET A 49 -19.824 -17.425 -10.731 1.00 2.58 H new ATOM 0 HE2 MET A 49 -19.530 -19.120 -11.186 1.00 2.58 H new ATOM 0 HE3 MET A 49 -21.065 -18.660 -10.411 1.00 2.58 H new ATOM 741 N ALA A 50 -15.373 -23.012 -8.525 1.00 0.96 N ATOM 742 CA ALA A 50 -14.149 -23.353 -9.233 1.00 0.90 C ATOM 743 C ALA A 50 -14.236 -24.766 -9.790 1.00 0.84 C ATOM 744 O ALA A 50 -13.782 -25.038 -10.899 1.00 0.80 O ATOM 745 CB ALA A 50 -12.945 -23.223 -8.315 1.00 1.06 C ATOM 0 H ALA A 50 -15.278 -22.975 -7.510 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.027 -22.656 -10.062 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.040 -23.482 -8.864 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -12.870 -22.197 -7.956 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.060 -23.897 -7.466 1.00 1.06 H new ATOM 751 N VAL A 51 -14.833 -25.660 -9.011 1.00 0.90 N ATOM 752 CA VAL A 51 -15.030 -27.040 -9.444 1.00 0.92 C ATOM 753 C VAL A 51 -15.967 -27.089 -10.649 1.00 0.84 C ATOM 754 O VAL A 51 -15.758 -27.864 -11.582 1.00 0.85 O ATOM 755 CB VAL A 51 -15.603 -27.919 -8.313 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.513 -29.393 -8.680 1.00 1.17 C ATOM 757 CG2 VAL A 51 -14.883 -27.647 -7.001 1.00 1.46 C ATOM 0 H VAL A 51 -15.189 -25.456 -8.077 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.053 -27.435 -9.721 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.654 -27.663 -8.183 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -15.922 -29.996 -7.869 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -16.082 -29.576 -9.591 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -14.470 -29.664 -8.843 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -15.303 -28.278 -6.218 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -13.822 -27.869 -7.115 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -15.007 -26.599 -6.728 1.00 1.46 H new ATOM 767 N ALA A 52 -16.986 -26.237 -10.627 1.00 0.84 N ATOM 768 CA ALA A 52 -17.935 -26.144 -11.731 1.00 0.85 C ATOM 769 C ALA A 52 -17.235 -25.693 -13.007 1.00 0.77 C ATOM 770 O ALA A 52 -17.530 -26.183 -14.098 1.00 0.83 O ATOM 771 CB ALA A 52 -19.064 -25.189 -11.376 1.00 0.97 C ATOM 0 H ALA A 52 -17.177 -25.599 -9.854 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.358 -27.133 -11.907 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -19.765 -25.129 -12.209 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.584 -25.553 -10.490 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -18.654 -24.199 -11.175 1.00 0.97 H new ATOM 777 N ALA A 53 -16.302 -24.760 -12.863 1.00 0.72 N ATOM 778 CA ALA A 53 -15.511 -24.288 -13.990 1.00 0.74 C ATOM 779 C ALA A 53 -14.670 -25.420 -14.561 1.00 0.73 C ATOM 780 O ALA A 53 -14.537 -25.558 -15.779 1.00 0.93 O ATOM 781 CB ALA A 53 -14.618 -23.137 -13.565 1.00 0.82 C ATOM 0 H ALA A 53 -16.075 -24.315 -11.974 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.192 -23.935 -14.764 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.033 -22.796 -14.419 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -15.233 -22.317 -13.195 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -13.945 -23.471 -12.775 1.00 0.82 H new ATOM 787 N GLN A 54 -14.123 -26.237 -13.668 1.00 0.71 N ATOM 788 CA GLN A 54 -13.322 -27.387 -14.060 1.00 0.83 C ATOM 789 C GLN A 54 -14.130 -28.331 -14.945 1.00 0.88 C ATOM 790 O GLN A 54 -13.679 -28.729 -16.017 1.00 1.07 O ATOM 791 CB GLN A 54 -12.827 -28.131 -12.821 1.00 0.99 C ATOM 792 CG GLN A 54 -11.525 -27.587 -12.263 1.00 1.27 C ATOM 793 CD GLN A 54 -10.341 -28.463 -12.613 1.00 1.30 C ATOM 794 OE1 GLN A 54 -10.166 -28.857 -13.764 1.00 1.76 O ATOM 795 NE2 GLN A 54 -9.525 -28.784 -11.623 1.00 1.86 N ATOM 0 H GLN A 54 -14.222 -26.121 -12.659 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.464 -27.029 -14.628 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -13.593 -28.080 -12.047 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -12.694 -29.184 -13.069 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -11.358 -26.582 -12.650 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -11.604 -27.502 -11.179 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -9.705 -28.437 -10.681 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -8.716 -29.379 -11.801 1.00 1.86 H new ATOM 804 N VAL A 55 -15.333 -28.672 -14.497 1.00 0.88 N ATOM 805 CA VAL A 55 -16.217 -29.553 -15.257 1.00 0.98 C ATOM 806 C VAL A 55 -16.634 -28.898 -16.573 1.00 0.96 C ATOM 807 O VAL A 55 -16.828 -29.571 -17.584 1.00 1.10 O ATOM 808 CB VAL A 55 -17.481 -29.925 -14.448 1.00 1.13 C ATOM 809 CG1 VAL A 55 -18.295 -30.991 -15.167 1.00 1.82 C ATOM 810 CG2 VAL A 55 -17.104 -30.399 -13.053 1.00 1.36 C ATOM 0 H VAL A 55 -15.721 -28.352 -13.610 1.00 0.88 H new ATOM 0 HA VAL A 55 -15.658 -30.465 -15.467 1.00 0.98 H new ATOM 0 HB VAL A 55 -18.096 -29.030 -14.357 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -19.178 -31.234 -14.576 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -18.603 -30.617 -16.143 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -17.688 -31.887 -15.297 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -18.007 -30.656 -12.500 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -16.462 -31.277 -13.128 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -16.572 -29.604 -12.530 1.00 1.36 H new ATOM 820 N HIS A 56 -16.730 -27.573 -16.560 1.00 0.95 N ATOM 821 CA HIS A 56 -17.179 -26.818 -17.727 1.00 1.02 C ATOM 822 C HIS A 56 -16.160 -26.866 -18.864 1.00 0.97 C ATOM 823 O HIS A 56 -16.491 -26.586 -20.015 1.00 1.30 O ATOM 824 CB HIS A 56 -17.455 -25.362 -17.344 1.00 1.22 C ATOM 825 CG HIS A 56 -18.902 -25.068 -17.103 1.00 1.39 C ATOM 826 ND1 HIS A 56 -19.850 -25.051 -18.106 1.00 1.92 N ATOM 827 CD2 HIS A 56 -19.564 -24.782 -15.960 1.00 1.81 C ATOM 828 CE1 HIS A 56 -21.031 -24.770 -17.586 1.00 1.97 C ATOM 829 NE2 HIS A 56 -20.882 -24.602 -16.287 1.00 1.97 N ATOM 0 H HIS A 56 -16.502 -26.996 -15.750 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.099 -27.285 -18.080 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -16.889 -25.118 -16.445 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -17.088 -24.711 -18.138 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -19.134 -24.709 -14.972 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -21.960 -24.691 -18.132 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -21.629 -24.374 -15.630 1.00 1.97 H new ATOM 838 N ARG A 57 -14.919 -27.207 -18.542 1.00 0.98 N ATOM 839 CA ARG A 57 -13.878 -27.324 -19.557 1.00 1.19 C ATOM 840 C ARG A 57 -13.296 -28.733 -19.570 1.00 1.33 C ATOM 841 O ARG A 57 -12.203 -28.958 -20.094 1.00 2.17 O ATOM 842 CB ARG A 57 -12.773 -26.295 -19.311 1.00 1.33 C ATOM 843 CG ARG A 57 -12.145 -25.755 -20.584 1.00 1.79 C ATOM 844 CD ARG A 57 -12.883 -24.528 -21.089 1.00 1.88 C ATOM 845 NE ARG A 57 -13.074 -24.552 -22.536 1.00 2.28 N ATOM 846 CZ ARG A 57 -14.258 -24.700 -23.131 1.00 2.79 C ATOM 847 NH1 ARG A 57 -15.349 -24.913 -22.406 1.00 3.10 N ATOM 848 NH2 ARG A 57 -14.349 -24.637 -24.448 1.00 3.57 N ATOM 0 H ARG A 57 -14.609 -27.407 -17.591 1.00 0.98 H new ATOM 0 HA ARG A 57 -14.326 -27.127 -20.531 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -13.184 -25.464 -18.739 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -11.995 -26.750 -18.698 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -11.101 -25.502 -20.398 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -12.154 -26.528 -21.352 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -13.854 -24.463 -20.598 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -12.326 -23.633 -20.813 1.00 1.88 H new ATOM 0 HE ARG A 57 -12.250 -24.449 -23.129 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -15.284 -24.964 -21.389 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -16.253 -25.026 -22.865 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -13.513 -24.475 -25.010 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -15.255 -24.750 -24.903 1.00 3.57 H new ATOM 862 N GLU A 58 -14.050 -29.671 -19.000 1.00 1.21 N ATOM 863 CA GLU A 58 -13.626 -31.065 -18.889 1.00 1.40 C ATOM 864 C GLU A 58 -12.233 -31.174 -18.270 1.00 1.22 C ATOM 865 O GLU A 58 -11.298 -31.680 -18.897 1.00 1.68 O ATOM 866 CB GLU A 58 -13.665 -31.766 -20.254 1.00 1.88 C ATOM 867 CG GLU A 58 -14.116 -33.215 -20.165 1.00 2.68 C ATOM 868 CD GLU A 58 -14.442 -33.822 -21.515 1.00 3.16 C ATOM 869 OE1 GLU A 58 -13.809 -33.437 -22.520 1.00 3.53 O ATOM 870 OE2 GLU A 58 -15.329 -34.699 -21.575 1.00 3.64 O ATOM 0 H GLU A 58 -14.971 -29.486 -18.603 1.00 1.21 H new ATOM 0 HA GLU A 58 -14.330 -31.568 -18.227 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -14.338 -31.222 -20.917 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -12.673 -31.727 -20.705 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -13.332 -33.804 -19.688 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -14.996 -33.276 -19.524 1.00 2.68 H new ATOM 877 N TYR A 59 -12.117 -30.681 -17.039 1.00 1.26 N ATOM 878 CA TYR A 59 -10.876 -30.743 -16.266 1.00 1.40 C ATOM 879 C TYR A 59 -9.809 -29.842 -16.878 1.00 1.33 C ATOM 880 O TYR A 59 -8.846 -30.307 -17.496 1.00 1.82 O ATOM 881 CB TYR A 59 -10.371 -32.187 -16.136 1.00 1.93 C ATOM 882 CG TYR A 59 -11.447 -33.160 -15.707 1.00 2.42 C ATOM 883 CD1 TYR A 59 -12.206 -32.927 -14.567 1.00 2.98 C ATOM 884 CD2 TYR A 59 -11.712 -34.304 -16.448 1.00 2.85 C ATOM 885 CE1 TYR A 59 -13.197 -33.807 -14.177 1.00 3.65 C ATOM 886 CE2 TYR A 59 -12.703 -35.187 -16.068 1.00 3.50 C ATOM 887 CZ TYR A 59 -13.443 -34.935 -14.932 1.00 3.80 C ATOM 888 OH TYR A 59 -14.436 -35.810 -14.551 1.00 4.58 O ATOM 0 H TYR A 59 -12.885 -30.225 -16.546 1.00 1.26 H new ATOM 0 HA TYR A 59 -11.091 -30.378 -15.262 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -9.960 -32.509 -17.093 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.555 -32.216 -15.413 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -12.018 -32.043 -13.976 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -11.133 -34.507 -17.337 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -13.776 -33.613 -13.286 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -12.898 -36.071 -16.658 1.00 3.50 H new ATOM 0 HH TYR A 59 -14.481 -36.552 -15.190 1.00 4.58 H new ATOM 898 N GLN A 60 -9.999 -28.541 -16.699 1.00 1.24 N ATOM 899 CA GLN A 60 -9.055 -27.548 -17.181 1.00 1.28 C ATOM 900 C GLN A 60 -7.875 -27.445 -16.227 1.00 1.38 C ATOM 901 O GLN A 60 -7.950 -26.767 -15.203 1.00 1.94 O ATOM 902 CB GLN A 60 -9.738 -26.181 -17.323 1.00 1.68 C ATOM 903 CG GLN A 60 -10.879 -25.958 -16.342 1.00 1.83 C ATOM 904 CD GLN A 60 -10.694 -24.716 -15.495 1.00 2.07 C ATOM 905 OE1 GLN A 60 -11.454 -23.758 -15.604 1.00 2.80 O ATOM 906 NE2 GLN A 60 -9.679 -24.719 -14.645 1.00 2.27 N ATOM 0 H GLN A 60 -10.808 -28.149 -16.218 1.00 1.24 H new ATOM 0 HA GLN A 60 -8.694 -27.859 -18.161 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -8.993 -25.397 -17.183 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -10.120 -26.080 -18.339 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -11.816 -25.879 -16.894 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -10.966 -26.827 -15.690 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -9.069 -25.534 -14.582 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -9.507 -23.907 -14.053 1.00 2.27 H new ATOM 915 N VAL A 61 -6.792 -28.132 -16.556 1.00 1.49 N ATOM 916 CA VAL A 61 -5.602 -28.134 -15.714 1.00 1.90 C ATOM 917 C VAL A 61 -4.902 -26.776 -15.747 1.00 2.03 C ATOM 918 O VAL A 61 -4.016 -26.546 -16.569 1.00 2.77 O ATOM 919 CB VAL A 61 -4.604 -29.238 -16.131 1.00 2.42 C ATOM 920 CG1 VAL A 61 -4.857 -30.510 -15.337 1.00 3.13 C ATOM 921 CG2 VAL A 61 -4.686 -29.512 -17.628 1.00 2.70 C ATOM 0 H VAL A 61 -6.711 -28.697 -17.401 1.00 1.49 H new ATOM 0 HA VAL A 61 -5.938 -28.339 -14.698 1.00 1.90 H new ATOM 0 HB VAL A 61 -3.596 -28.887 -15.910 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -4.146 -31.277 -15.643 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -4.735 -30.305 -14.273 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -5.872 -30.860 -15.525 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -3.974 -30.293 -17.895 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -5.694 -29.838 -17.883 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -4.449 -28.601 -18.178 1.00 2.70 H new ATOM 931 N GLU A 62 -5.324 -25.886 -14.850 1.00 1.77 N ATOM 932 CA GLU A 62 -4.756 -24.543 -14.737 1.00 2.15 C ATOM 933 C GLU A 62 -4.843 -23.793 -16.066 1.00 1.95 C ATOM 934 O GLU A 62 -3.889 -23.136 -16.488 1.00 2.59 O ATOM 935 CB GLU A 62 -3.305 -24.618 -14.247 1.00 2.85 C ATOM 936 CG GLU A 62 -3.001 -23.688 -13.079 1.00 3.27 C ATOM 937 CD GLU A 62 -3.603 -24.163 -11.769 1.00 4.00 C ATOM 938 OE1 GLU A 62 -4.269 -25.221 -11.763 1.00 4.56 O ATOM 939 OE2 GLU A 62 -3.412 -23.493 -10.734 1.00 4.41 O ATOM 0 H GLU A 62 -6.070 -26.076 -14.181 1.00 1.77 H new ATOM 0 HA GLU A 62 -5.341 -23.987 -14.005 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -3.084 -25.643 -13.950 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -2.639 -24.376 -15.075 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -1.921 -23.599 -12.965 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -3.381 -22.692 -13.307 1.00 3.27 H new ATOM 946 N LEU A 63 -5.992 -23.901 -16.724 1.00 1.62 N ATOM 947 CA LEU A 63 -6.216 -23.220 -17.993 1.00 1.78 C ATOM 948 C LEU A 63 -7.709 -22.978 -18.217 1.00 1.53 C ATOM 949 O LEU A 63 -8.346 -23.656 -19.028 1.00 1.50 O ATOM 950 CB LEU A 63 -5.630 -24.039 -19.147 1.00 2.34 C ATOM 951 CG LEU A 63 -5.398 -23.265 -20.446 1.00 2.46 C ATOM 952 CD1 LEU A 63 -4.575 -22.013 -20.190 1.00 2.93 C ATOM 953 CD2 LEU A 63 -4.708 -24.149 -21.471 1.00 3.01 C ATOM 0 H LEU A 63 -6.784 -24.455 -16.398 1.00 1.62 H new ATOM 0 HA LEU A 63 -5.712 -22.254 -17.959 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -4.681 -24.465 -18.823 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -6.300 -24.874 -19.355 1.00 2.34 H new ATOM 0 HG LEU A 63 -6.368 -22.961 -20.840 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -4.423 -21.479 -21.128 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -5.103 -21.368 -19.487 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -3.608 -22.292 -19.771 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -4.549 -23.585 -22.390 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -3.747 -24.480 -21.078 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -5.332 -25.017 -21.681 1.00 3.01 H new ATOM 965 N PRO A 64 -8.282 -21.999 -17.505 1.00 1.52 N ATOM 966 CA PRO A 64 -9.706 -21.683 -17.569 1.00 1.44 C ATOM 967 C PRO A 64 -10.035 -20.703 -18.691 1.00 1.43 C ATOM 968 O PRO A 64 -10.762 -19.728 -18.481 1.00 1.89 O ATOM 969 CB PRO A 64 -9.985 -21.030 -16.206 1.00 1.66 C ATOM 970 CG PRO A 64 -8.653 -20.858 -15.533 1.00 1.91 C ATOM 971 CD PRO A 64 -7.596 -21.108 -16.571 1.00 1.79 C ATOM 0 HA PRO A 64 -10.308 -22.569 -17.772 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -10.483 -20.069 -16.331 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -10.645 -21.655 -15.605 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -8.557 -19.854 -15.120 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -8.549 -21.555 -14.702 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -7.272 -20.185 -17.052 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -6.708 -21.573 -16.143 1.00 1.79 H new ATOM 979 N LEU A 65 -9.506 -20.986 -19.876 1.00 1.22 N ATOM 980 CA LEU A 65 -9.619 -20.093 -21.028 1.00 1.24 C ATOM 981 C LEU A 65 -11.075 -19.777 -21.376 1.00 1.19 C ATOM 982 O LEU A 65 -11.774 -20.599 -21.968 1.00 1.82 O ATOM 983 CB LEU A 65 -8.915 -20.721 -22.233 1.00 1.39 C ATOM 984 CG LEU A 65 -8.968 -19.900 -23.523 1.00 1.86 C ATOM 985 CD1 LEU A 65 -7.948 -18.775 -23.489 1.00 2.46 C ATOM 986 CD2 LEU A 65 -8.733 -20.794 -24.731 1.00 2.34 C ATOM 0 H LEU A 65 -8.985 -21.842 -20.067 1.00 1.22 H new ATOM 0 HA LEU A 65 -9.139 -19.150 -20.765 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -7.870 -20.892 -21.974 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -9.360 -21.697 -22.425 1.00 1.39 H new ATOM 0 HG LEU A 65 -9.961 -19.457 -23.605 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -8.004 -18.205 -24.416 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -8.159 -18.118 -22.646 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -6.948 -19.194 -23.381 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -8.774 -20.195 -25.641 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -7.753 -21.265 -24.650 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -9.503 -21.564 -24.769 1.00 2.34 H new ATOM 998 N LYS A 66 -11.514 -18.582 -20.976 1.00 0.89 N ATOM 999 CA LYS A 66 -12.839 -18.060 -21.316 1.00 0.89 C ATOM 1000 C LYS A 66 -13.961 -18.975 -20.833 1.00 0.88 C ATOM 1001 O LYS A 66 -15.020 -19.052 -21.457 1.00 1.21 O ATOM 1002 CB LYS A 66 -12.954 -17.836 -22.826 1.00 1.03 C ATOM 1003 CG LYS A 66 -12.727 -16.390 -23.237 1.00 1.47 C ATOM 1004 CD LYS A 66 -13.200 -16.134 -24.658 1.00 1.62 C ATOM 1005 CE LYS A 66 -12.191 -16.628 -25.682 1.00 1.99 C ATOM 1006 NZ LYS A 66 -11.102 -15.642 -25.915 1.00 2.42 N ATOM 0 H LYS A 66 -10.958 -17.946 -20.404 1.00 0.89 H new ATOM 0 HA LYS A 66 -12.951 -17.106 -20.800 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -12.229 -18.470 -23.337 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -13.943 -18.150 -23.159 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -13.257 -15.728 -22.551 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -11.667 -16.150 -23.157 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -14.156 -16.632 -24.819 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -13.369 -15.066 -24.799 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -11.760 -17.569 -25.341 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -12.701 -16.833 -26.623 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -10.437 -16.019 -26.620 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -11.509 -14.751 -26.265 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -10.597 -15.465 -25.023 1.00 2.42 H new ATOM 1020 N VAL A 67 -13.731 -19.665 -19.726 1.00 0.96 N ATOM 1021 CA VAL A 67 -14.758 -20.525 -19.152 1.00 1.08 C ATOM 1022 C VAL A 67 -15.184 -20.022 -17.774 1.00 1.15 C ATOM 1023 O VAL A 67 -16.279 -20.331 -17.304 1.00 1.70 O ATOM 1024 CB VAL A 67 -14.286 -21.997 -19.066 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -13.463 -22.258 -17.812 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -15.476 -22.943 -19.135 1.00 2.11 C ATOM 0 H VAL A 67 -12.851 -19.648 -19.210 1.00 0.96 H new ATOM 0 HA VAL A 67 -15.620 -20.488 -19.817 1.00 1.08 H new ATOM 0 HB VAL A 67 -13.638 -22.184 -19.923 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -13.152 -23.303 -17.792 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -12.581 -21.617 -17.816 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -14.065 -22.041 -16.930 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -15.126 -23.973 -19.073 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -16.152 -22.739 -18.304 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -16.004 -22.795 -20.077 1.00 2.11 H new ATOM 1036 N LEU A 68 -14.318 -19.230 -17.144 1.00 1.00 N ATOM 1037 CA LEU A 68 -14.583 -18.682 -15.818 1.00 1.15 C ATOM 1038 C LEU A 68 -13.466 -17.724 -15.425 1.00 1.14 C ATOM 1039 O LEU A 68 -13.635 -16.507 -15.451 1.00 1.53 O ATOM 1040 CB LEU A 68 -14.690 -19.803 -14.771 1.00 1.35 C ATOM 1041 CG LEU A 68 -15.802 -19.645 -13.719 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -15.960 -18.194 -13.290 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -17.119 -20.192 -14.250 1.00 2.02 C ATOM 0 H LEU A 68 -13.419 -18.952 -17.537 1.00 1.00 H new ATOM 0 HA LEU A 68 -15.532 -18.148 -15.852 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -14.844 -20.747 -15.294 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -13.735 -19.879 -14.251 1.00 1.35 H new ATOM 0 HG LEU A 68 -15.513 -20.221 -12.840 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -16.754 -18.119 -12.547 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -15.024 -17.838 -12.859 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -16.216 -17.584 -14.157 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -17.894 -20.072 -13.493 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -17.403 -19.647 -15.150 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -17.004 -21.250 -14.488 1.00 2.02 H new ATOM 1055 N PHE A 69 -12.311 -18.284 -15.086 1.00 1.04 N ATOM 1056 CA PHE A 69 -11.174 -17.493 -14.628 1.00 1.16 C ATOM 1057 C PHE A 69 -10.367 -16.957 -15.809 1.00 1.15 C ATOM 1058 O PHE A 69 -9.156 -17.156 -15.886 1.00 1.87 O ATOM 1059 CB PHE A 69 -10.271 -18.326 -13.713 1.00 1.30 C ATOM 1060 CG PHE A 69 -11.016 -19.206 -12.748 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -11.681 -18.661 -11.665 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -11.047 -20.580 -12.924 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -12.362 -19.469 -10.775 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -11.725 -21.392 -12.038 1.00 1.81 C ATOM 1065 CZ PHE A 69 -12.386 -20.834 -10.962 1.00 1.60 C ATOM 0 H PHE A 69 -12.136 -19.288 -15.120 1.00 1.04 H new ATOM 0 HA PHE A 69 -11.564 -16.646 -14.064 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -9.623 -18.949 -14.330 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -9.624 -17.654 -13.149 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -11.668 -17.592 -11.513 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -10.534 -21.021 -13.766 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -12.876 -19.031 -9.932 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -11.739 -22.462 -12.186 1.00 1.81 H new ATOM 0 HZ PHE A 69 -12.921 -21.466 -10.268 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.054 -16.287 -16.724 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.424 -15.666 -17.883 1.00 0.94 C ATOM 1077 C ALA A 70 -11.444 -14.819 -18.625 1.00 0.91 C ATOM 1078 O ALA A 70 -12.565 -15.273 -18.860 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.829 -16.712 -18.816 1.00 1.03 C ATOM 0 H ALA A 70 -12.065 -16.158 -16.684 1.00 0.92 H new ATOM 0 HA ALA A 70 -9.610 -15.031 -17.533 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -9.367 -16.217 -19.670 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -9.076 -17.291 -18.281 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -10.618 -17.378 -19.166 1.00 1.03 H new ATOM 1085 N GLN A 71 -11.037 -13.600 -18.987 1.00 1.05 N ATOM 1086 CA GLN A 71 -11.921 -12.615 -19.614 1.00 1.14 C ATOM 1087 C GLN A 71 -12.903 -12.050 -18.589 1.00 1.04 C ATOM 1088 O GLN A 71 -14.008 -12.567 -18.411 1.00 1.19 O ATOM 1089 CB GLN A 71 -12.672 -13.209 -20.817 1.00 1.43 C ATOM 1090 CG GLN A 71 -13.559 -12.210 -21.542 1.00 1.89 C ATOM 1091 CD GLN A 71 -12.768 -11.234 -22.389 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -11.951 -11.634 -23.219 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -13.012 -9.948 -22.194 1.00 3.23 N ATOM 0 H GLN A 71 -10.082 -13.267 -18.853 1.00 1.05 H new ATOM 0 HA GLN A 71 -11.299 -11.802 -19.988 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -11.946 -13.615 -21.522 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -13.285 -14.043 -20.475 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -14.263 -12.749 -22.177 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -14.148 -11.656 -20.811 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -13.697 -9.659 -21.496 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -12.515 -9.246 -22.742 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.499 -10.972 -17.892 1.00 1.11 N ATOM 1103 CA PRO A 72 -13.313 -10.328 -16.855 1.00 1.26 C ATOM 1104 C PRO A 72 -14.485 -9.541 -17.439 1.00 1.21 C ATOM 1105 O PRO A 72 -14.560 -8.317 -17.322 1.00 1.62 O ATOM 1106 CB PRO A 72 -12.330 -9.381 -16.141 1.00 1.60 C ATOM 1107 CG PRO A 72 -10.978 -9.717 -16.682 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.209 -10.295 -18.047 1.00 1.38 C ATOM 0 HA PRO A 72 -13.766 -11.063 -16.190 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.581 -8.338 -16.335 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -12.365 -9.522 -15.061 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -10.348 -8.829 -16.736 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.467 -10.432 -16.037 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.247 -9.521 -18.814 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.418 -10.989 -18.333 1.00 1.38 H new ATOM 1116 N THR A 73 -15.389 -10.252 -18.088 1.00 1.29 N ATOM 1117 CA THR A 73 -16.591 -9.656 -18.637 1.00 1.40 C ATOM 1118 C THR A 73 -17.770 -10.593 -18.415 1.00 1.25 C ATOM 1119 O THR A 73 -18.022 -11.494 -19.218 1.00 1.55 O ATOM 1120 CB THR A 73 -16.432 -9.360 -20.140 1.00 1.86 C ATOM 1121 OG1 THR A 73 -15.063 -9.034 -20.425 1.00 2.46 O ATOM 1122 CG2 THR A 73 -17.333 -8.209 -20.569 1.00 2.01 C ATOM 0 H THR A 73 -15.310 -11.256 -18.249 1.00 1.29 H new ATOM 0 HA THR A 73 -16.770 -8.710 -18.125 1.00 1.40 H new ATOM 0 HB THR A 73 -16.723 -10.250 -20.698 1.00 1.86 H new ATOM 0 HG1 THR A 73 -15.026 -8.404 -21.175 1.00 2.46 H new ATOM 0 HG21 THR A 73 -17.201 -8.021 -21.635 1.00 2.01 H new ATOM 0 HG22 THR A 73 -18.373 -8.469 -20.373 1.00 2.01 H new ATOM 0 HG23 THR A 73 -17.071 -7.313 -20.007 1.00 2.01 H new ATOM 1130 N ILE A 74 -18.487 -10.374 -17.320 1.00 1.12 N ATOM 1131 CA ILE A 74 -19.555 -11.275 -16.903 1.00 1.13 C ATOM 1132 C ILE A 74 -20.699 -11.285 -17.915 1.00 1.08 C ATOM 1133 O ILE A 74 -21.312 -12.321 -18.155 1.00 1.12 O ATOM 1134 CB ILE A 74 -20.093 -10.899 -15.506 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -18.934 -10.674 -14.530 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -21.030 -11.980 -14.978 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -18.909 -9.284 -13.928 1.00 2.08 C ATOM 0 H ILE A 74 -18.347 -9.575 -16.701 1.00 1.12 H new ATOM 0 HA ILE A 74 -19.127 -12.276 -16.852 1.00 1.13 H new ATOM 0 HB ILE A 74 -20.658 -9.971 -15.596 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -18.999 -11.408 -13.727 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -17.993 -10.853 -15.050 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -21.397 -11.694 -13.992 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -21.873 -12.096 -15.660 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -20.491 -12.924 -14.904 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -18.062 -9.197 -13.247 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -18.813 -8.545 -14.723 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -19.834 -9.108 -13.380 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.977 -10.132 -18.511 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.985 -10.033 -19.560 1.00 1.12 C ATOM 1151 C LYS A 75 -21.632 -10.946 -20.735 1.00 1.02 C ATOM 1152 O LYS A 75 -22.492 -11.657 -21.268 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.105 -8.581 -20.038 1.00 1.25 C ATOM 1154 CG LYS A 75 -23.511 -8.163 -20.466 1.00 1.80 C ATOM 1155 CD LYS A 75 -24.565 -9.209 -20.124 1.00 2.44 C ATOM 1156 CE LYS A 75 -25.526 -9.435 -21.281 1.00 3.14 C ATOM 1157 NZ LYS A 75 -24.884 -10.161 -22.409 1.00 3.80 N ATOM 0 H LYS A 75 -20.517 -9.250 -18.285 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.943 -10.353 -19.151 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -21.773 -7.921 -19.237 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -21.425 -8.432 -20.877 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -23.769 -7.221 -19.981 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -23.520 -7.982 -21.541 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -24.076 -10.149 -19.868 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -25.123 -8.890 -19.244 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -26.388 -10.002 -20.930 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -25.899 -8.474 -21.635 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -25.565 -10.827 -22.826 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -24.580 -9.479 -23.133 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -24.057 -10.685 -22.059 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.362 -10.936 -21.115 1.00 0.97 N ATOM 1172 CA ALA A 76 -19.889 -11.747 -22.228 1.00 0.98 C ATOM 1173 C ALA A 76 -19.887 -13.223 -21.855 1.00 0.91 C ATOM 1174 O ALA A 76 -20.307 -14.070 -22.639 1.00 0.97 O ATOM 1175 CB ALA A 76 -18.499 -11.306 -22.655 1.00 1.08 C ATOM 0 H ALA A 76 -19.639 -10.373 -20.667 1.00 0.97 H new ATOM 0 HA ALA A 76 -20.570 -11.606 -23.067 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -18.161 -11.923 -23.488 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.528 -10.262 -22.966 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -17.809 -11.417 -21.818 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.428 -13.522 -20.646 1.00 0.91 N ATOM 1182 CA LEU A 77 -19.380 -14.897 -20.165 1.00 0.97 C ATOM 1183 C LEU A 77 -20.787 -15.469 -20.017 1.00 1.04 C ATOM 1184 O LEU A 77 -20.988 -16.681 -20.100 1.00 1.11 O ATOM 1185 CB LEU A 77 -18.636 -14.969 -18.828 1.00 1.15 C ATOM 1186 CG LEU A 77 -17.123 -15.166 -18.940 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -16.454 -14.953 -17.592 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -16.800 -16.552 -19.476 1.00 1.94 C ATOM 0 H LEU A 77 -19.083 -12.830 -19.980 1.00 0.91 H new ATOM 0 HA LEU A 77 -18.841 -15.496 -20.899 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -18.828 -14.051 -18.273 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -19.052 -15.789 -18.242 1.00 1.15 H new ATOM 0 HG LEU A 77 -16.735 -14.426 -19.640 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -15.378 -15.098 -17.693 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -16.653 -13.940 -17.243 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -16.850 -15.669 -16.872 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -15.719 -16.671 -19.548 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -17.204 -17.306 -18.801 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.245 -16.673 -20.464 1.00 1.94 H new ATOM 1200 N ALA A 78 -21.758 -14.589 -19.807 1.00 1.13 N ATOM 1201 CA ALA A 78 -23.149 -14.996 -19.682 1.00 1.34 C ATOM 1202 C ALA A 78 -23.687 -15.514 -21.008 1.00 1.34 C ATOM 1203 O ALA A 78 -24.354 -16.542 -21.054 1.00 1.53 O ATOM 1204 CB ALA A 78 -24.000 -13.840 -19.182 1.00 1.57 C ATOM 0 H ALA A 78 -21.605 -13.584 -19.720 1.00 1.13 H new ATOM 0 HA ALA A 78 -23.199 -15.806 -18.955 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -25.037 -14.163 -19.095 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -23.637 -13.517 -18.206 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -23.936 -13.010 -19.886 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.385 -14.811 -22.091 1.00 1.27 N ATOM 1211 CA GLN A 79 -23.846 -15.232 -23.407 1.00 1.42 C ATOM 1212 C GLN A 79 -22.949 -16.340 -23.961 1.00 1.44 C ATOM 1213 O GLN A 79 -23.299 -17.015 -24.931 1.00 1.79 O ATOM 1214 CB GLN A 79 -23.893 -14.042 -24.373 1.00 1.53 C ATOM 1215 CG GLN A 79 -22.534 -13.633 -24.924 1.00 1.65 C ATOM 1216 CD GLN A 79 -22.290 -12.138 -24.827 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -23.056 -11.410 -24.198 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -21.214 -11.670 -25.439 1.00 2.74 N ATOM 0 H GLN A 79 -22.829 -13.956 -22.086 1.00 1.27 H new ATOM 0 HA GLN A 79 -24.857 -15.627 -23.304 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -24.551 -14.290 -25.206 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -24.336 -13.189 -23.860 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -21.751 -14.161 -24.379 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -22.461 -13.942 -25.967 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -20.602 -12.305 -25.951 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -20.997 -10.674 -25.398 1.00 2.74 H new ATOM 1227 N TYR A 80 -21.797 -16.525 -23.331 1.00 1.23 N ATOM 1228 CA TYR A 80 -20.835 -17.530 -23.762 1.00 1.38 C ATOM 1229 C TYR A 80 -21.145 -18.893 -23.145 1.00 1.39 C ATOM 1230 O TYR A 80 -21.629 -19.801 -23.823 1.00 1.59 O ATOM 1231 CB TYR A 80 -19.418 -17.102 -23.371 1.00 1.43 C ATOM 1232 CG TYR A 80 -18.638 -16.428 -24.478 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -19.249 -16.052 -25.666 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -17.282 -16.171 -24.326 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -18.528 -15.441 -26.677 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -16.556 -15.559 -25.328 1.00 2.18 C ATOM 1237 CZ TYR A 80 -17.182 -15.195 -26.500 1.00 2.42 C ATOM 1238 OH TYR A 80 -16.454 -14.593 -27.503 1.00 2.85 O ATOM 0 H TYR A 80 -21.505 -15.988 -22.514 1.00 1.23 H new ATOM 0 HA TYR A 80 -20.906 -17.618 -24.846 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -19.479 -16.422 -22.521 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -18.866 -17.981 -23.038 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -20.304 -16.239 -25.804 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -16.787 -16.455 -23.409 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -19.016 -15.159 -27.598 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -15.502 -15.366 -25.194 1.00 2.18 H new ATOM 0 HH TYR A 80 -15.523 -14.492 -27.216 1.00 2.85 H new ATOM 1248 N VAL A 81 -20.874 -19.018 -21.853 1.00 1.29 N ATOM 1249 CA VAL A 81 -21.020 -20.287 -21.154 1.00 1.39 C ATOM 1250 C VAL A 81 -22.460 -20.497 -20.699 1.00 1.35 C ATOM 1251 O VAL A 81 -23.022 -21.579 -20.862 1.00 1.49 O ATOM 1252 CB VAL A 81 -20.081 -20.362 -19.929 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -20.043 -21.772 -19.364 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.678 -19.895 -20.297 1.00 1.72 C ATOM 0 H VAL A 81 -20.550 -18.250 -21.265 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.748 -21.075 -21.857 1.00 1.39 H new ATOM 0 HB VAL A 81 -20.474 -19.697 -19.160 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -19.376 -21.801 -18.503 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -21.046 -22.068 -19.056 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -19.680 -22.460 -20.127 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -18.033 -19.956 -19.421 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -18.278 -20.531 -21.087 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.718 -18.864 -20.647 1.00 1.72 H new ATOM 1264 N ALA A 82 -23.065 -19.446 -20.158 1.00 1.42 N ATOM 1265 CA ALA A 82 -24.433 -19.524 -19.651 1.00 1.52 C ATOM 1266 C ALA A 82 -25.444 -19.333 -20.782 1.00 1.59 C ATOM 1267 O ALA A 82 -26.545 -18.824 -20.577 1.00 1.90 O ATOM 1268 CB ALA A 82 -24.653 -18.491 -18.553 1.00 1.66 C ATOM 0 H ALA A 82 -22.631 -18.528 -20.058 1.00 1.42 H new ATOM 0 HA ALA A 82 -24.584 -20.517 -19.227 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -25.677 -18.562 -18.186 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -23.960 -18.678 -17.733 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -24.480 -17.492 -18.953 1.00 1.66 H new ATOM 1274 N THR A 83 -25.057 -19.752 -21.978 1.00 1.64 N ATOM 1275 CA THR A 83 -25.914 -19.652 -23.143 1.00 1.83 C ATOM 1276 C THR A 83 -26.955 -20.774 -23.129 1.00 2.01 C ATOM 1277 O THR A 83 -27.949 -20.734 -23.857 1.00 2.41 O ATOM 1278 CB THR A 83 -25.068 -19.685 -24.443 1.00 2.14 C ATOM 1279 OG1 THR A 83 -25.560 -18.716 -25.381 1.00 2.59 O ATOM 1280 CG2 THR A 83 -25.054 -21.067 -25.086 1.00 2.65 C ATOM 0 H THR A 83 -24.145 -20.168 -22.164 1.00 1.64 H new ATOM 0 HA THR A 83 -26.442 -18.699 -23.114 1.00 1.83 H new ATOM 0 HB THR A 83 -24.043 -19.440 -24.166 1.00 2.14 H new ATOM 0 HG1 THR A 83 -24.927 -17.970 -25.444 1.00 2.59 H new ATOM 0 HG21 THR A 83 -24.449 -21.040 -25.993 1.00 2.65 H new ATOM 0 HG22 THR A 83 -24.630 -21.789 -24.388 1.00 2.65 H new ATOM 0 HG23 THR A 83 -26.073 -21.361 -25.338 1.00 2.65 H new ATOM 1288 N ARG A 84 -26.721 -21.765 -22.276 1.00 2.19 N ATOM 1289 CA ARG A 84 -27.653 -22.870 -22.105 1.00 2.75 C ATOM 1290 C ARG A 84 -28.532 -22.613 -20.883 1.00 3.36 C ATOM 1291 O ARG A 84 -28.874 -21.466 -20.590 1.00 4.13 O ATOM 1292 CB ARG A 84 -26.900 -24.201 -21.960 1.00 3.41 C ATOM 1293 CG ARG A 84 -25.410 -24.047 -21.692 1.00 3.80 C ATOM 1294 CD ARG A 84 -24.938 -24.994 -20.600 1.00 4.57 C ATOM 1295 NE ARG A 84 -25.250 -24.489 -19.261 1.00 5.32 N ATOM 1296 CZ ARG A 84 -24.939 -25.123 -18.130 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -24.270 -26.271 -18.167 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -25.286 -24.601 -16.960 1.00 7.09 N ATOM 0 H ARG A 84 -25.888 -21.824 -21.690 1.00 2.19 H new ATOM 0 HA ARG A 84 -28.285 -22.939 -22.990 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -27.347 -24.772 -21.146 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -27.036 -24.784 -22.871 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -24.853 -24.241 -22.609 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -25.196 -23.019 -21.400 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -25.407 -25.968 -20.738 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -23.862 -25.142 -20.689 1.00 4.57 H new ATOM 0 HE ARG A 84 -25.736 -23.595 -19.189 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -23.992 -26.671 -19.063 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -24.034 -26.752 -17.299 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -25.790 -23.715 -16.926 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -25.048 -25.086 -16.095 1.00 7.09 H new ATOM 1312 N SER A 85 -28.895 -23.667 -20.171 1.00 3.58 N ATOM 1313 CA SER A 85 -29.713 -23.533 -18.976 1.00 4.69 C ATOM 1314 C SER A 85 -28.954 -24.048 -17.758 1.00 5.43 C ATOM 1315 O SER A 85 -28.944 -25.277 -17.535 1.00 5.80 O ATOM 1316 CB SER A 85 -31.029 -24.292 -19.153 1.00 5.10 C ATOM 1317 OG SER A 85 -31.565 -24.078 -20.452 1.00 4.66 O ATOM 1318 OXT SER A 85 -28.344 -23.221 -17.052 1.00 5.98 O ATOM 0 H SER A 85 -28.636 -24.627 -20.400 1.00 3.58 H new ATOM 0 HA SER A 85 -29.940 -22.479 -18.818 1.00 4.69 H new ATOM 0 HB2 SER A 85 -30.864 -25.358 -18.994 1.00 5.10 H new ATOM 0 HB3 SER A 85 -31.746 -23.965 -18.400 1.00 5.10 H new ATOM 0 HG SER A 85 -32.405 -24.574 -20.545 1.00 4.66 H new TER 1324 SER A 85