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 66 LYS NZ :NH3+ 179:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 71 GLN : amide:sc= 0.856 K(o=2.1,f=-6.6!) 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= -0.12 USER MOD Single : A 7 GLN : amide:sc= 0.125 K(o=0.12,f=-2.8!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 13 ASN : amide:sc=-0.00891 X(o=-0.0089,f=-0.0089) USER MOD Single : A 17 SER OG : rot 180:sc= 0.124 USER MOD Single : A 18 LYS NZ :NH3+ -130:sc= 1.23 (180deg=-0.744) USER MOD Single : A 30 SER OG : rot 159:sc= 0.755 USER MOD Single : A 37 ASN : amide:sc= 2.08 K(o=2.1,f=-7.3!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 44 HIS : +bothHN:sc= 0.795 K(o=0.79,f=-4.7!) USER MOD Single : A 45 SER OG : rot -107:sc= 0.18 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.453 K(o=-0.45,f=-2.9) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.33 X(o=-2.3,f=-1.9) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -75:sc= 1.38 USER MOD Single : A 85 SER OG : rot -56:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.447 4.514 3.626 1.00 6.70 N ATOM 2 CA MET A 1 -3.636 4.646 2.162 1.00 6.30 C ATOM 3 C MET A 1 -4.014 3.303 1.556 1.00 5.83 C ATOM 4 O MET A 1 -3.354 2.295 1.804 1.00 6.14 O ATOM 5 CB MET A 1 -2.355 5.173 1.507 1.00 6.81 C ATOM 6 CG MET A 1 -2.576 5.770 0.124 1.00 7.17 C ATOM 7 SD MET A 1 -1.446 7.136 -0.228 1.00 7.86 S ATOM 8 CE MET A 1 -1.261 6.980 -2.007 1.00 8.54 C ATOM 0 H1 MET A 1 -3.189 5.438 4.027 1.00 6.70 H new ATOM 0 H2 MET A 1 -4.331 4.182 4.062 1.00 6.70 H new ATOM 0 H3 MET A 1 -2.688 3.829 3.818 1.00 6.70 H new ATOM 0 HA MET A 1 -4.443 5.355 1.979 1.00 6.30 H new ATOM 0 HB2 MET A 1 -1.912 5.931 2.154 1.00 6.81 H new ATOM 0 HB3 MET A 1 -1.635 4.358 1.431 1.00 6.81 H new ATOM 0 HG2 MET A 1 -2.447 4.992 -0.629 1.00 7.17 H new ATOM 0 HG3 MET A 1 -3.604 6.123 0.044 1.00 7.17 H new ATOM 0 HE1 MET A 1 -0.590 7.757 -2.373 1.00 8.54 H new ATOM 0 HE2 MET A 1 -0.846 6.001 -2.245 1.00 8.54 H new ATOM 0 HE3 MET A 1 -2.235 7.088 -2.485 1.00 8.54 H new ATOM 20 N GLY A 2 -5.082 3.286 0.776 1.00 5.41 N ATOM 21 CA GLY A 2 -5.523 2.056 0.157 1.00 5.21 C ATOM 22 C GLY A 2 -6.090 2.281 -1.227 1.00 4.76 C ATOM 23 O GLY A 2 -7.289 2.494 -1.385 1.00 5.03 O ATOM 0 H GLY A 2 -5.652 4.104 0.560 1.00 5.41 H new ATOM 0 HA2 GLY A 2 -4.685 1.362 0.095 1.00 5.21 H new ATOM 0 HA3 GLY A 2 -6.280 1.587 0.785 1.00 5.21 H new ATOM 27 N VAL A 3 -5.230 2.230 -2.235 1.00 4.46 N ATOM 28 CA VAL A 3 -5.659 2.420 -3.617 1.00 4.34 C ATOM 29 C VAL A 3 -6.096 1.089 -4.226 1.00 3.47 C ATOM 30 O VAL A 3 -5.662 0.707 -5.316 1.00 3.74 O ATOM 31 CB VAL A 3 -4.540 3.048 -4.483 1.00 5.24 C ATOM 32 CG1 VAL A 3 -5.136 3.798 -5.666 1.00 6.05 C ATOM 33 CG2 VAL A 3 -3.666 3.977 -3.652 1.00 5.84 C ATOM 0 H VAL A 3 -4.231 2.059 -2.123 1.00 4.46 H new ATOM 0 HA VAL A 3 -6.504 3.109 -3.604 1.00 4.34 H new ATOM 0 HB VAL A 3 -3.914 2.240 -4.863 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -4.334 4.232 -6.263 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -5.713 3.108 -6.281 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -5.788 4.592 -5.302 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -2.888 4.405 -4.283 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -4.278 4.778 -3.237 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -3.206 3.414 -2.840 1.00 5.84 H new ATOM 43 N THR A 4 -6.934 0.372 -3.489 1.00 2.94 N ATOM 44 CA THR A 4 -7.499 -0.893 -3.943 1.00 2.60 C ATOM 45 C THR A 4 -8.817 -1.160 -3.223 1.00 2.42 C ATOM 46 O THR A 4 -9.271 -2.300 -3.121 1.00 3.09 O ATOM 47 CB THR A 4 -6.536 -2.074 -3.692 1.00 2.97 C ATOM 48 OG1 THR A 4 -5.220 -1.587 -3.386 1.00 3.36 O ATOM 49 CG2 THR A 4 -6.469 -2.983 -4.909 1.00 3.59 C ATOM 0 H THR A 4 -7.242 0.651 -2.558 1.00 2.94 H new ATOM 0 HA THR A 4 -7.666 -0.811 -5.017 1.00 2.60 H new ATOM 0 HB THR A 4 -6.916 -2.645 -2.845 1.00 2.97 H new ATOM 0 HG1 THR A 4 -4.619 -2.345 -3.227 1.00 3.36 H new ATOM 0 HG21 THR A 4 -5.785 -3.808 -4.710 1.00 3.59 H new ATOM 0 HG22 THR A 4 -7.462 -3.379 -5.123 1.00 3.59 H new ATOM 0 HG23 THR A 4 -6.112 -2.415 -5.768 1.00 3.59 H new ATOM 57 N GLU A 5 -9.435 -0.089 -2.740 1.00 2.01 N ATOM 58 CA GLU A 5 -10.654 -0.195 -1.949 1.00 1.95 C ATOM 59 C GLU A 5 -11.778 0.603 -2.597 1.00 2.02 C ATOM 60 O GLU A 5 -11.756 1.836 -2.594 1.00 2.45 O ATOM 61 CB GLU A 5 -10.413 0.303 -0.523 1.00 2.25 C ATOM 62 CG GLU A 5 -10.000 -0.795 0.442 1.00 2.50 C ATOM 63 CD GLU A 5 -10.450 -0.524 1.862 1.00 3.01 C ATOM 64 OE1 GLU A 5 -11.538 0.066 2.046 1.00 3.44 O ATOM 65 OE2 GLU A 5 -9.721 -0.895 2.805 1.00 3.47 O ATOM 0 H GLU A 5 -9.110 0.867 -2.883 1.00 2.01 H new ATOM 0 HA GLU A 5 -10.946 -1.244 -1.908 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -9.639 1.070 -0.541 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -11.323 0.777 -0.154 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -10.419 -1.744 0.107 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -8.915 -0.901 0.423 1.00 2.50 H new ATOM 72 N ALA A 6 -12.759 -0.116 -3.148 1.00 1.93 N ATOM 73 CA ALA A 6 -13.878 0.491 -3.868 1.00 2.21 C ATOM 74 C ALA A 6 -13.384 1.439 -4.957 1.00 1.87 C ATOM 75 O ALA A 6 -13.947 2.513 -5.167 1.00 2.34 O ATOM 76 CB ALA A 6 -14.804 1.217 -2.905 1.00 3.01 C ATOM 0 H ALA A 6 -12.799 -1.134 -3.107 1.00 1.93 H new ATOM 0 HA ALA A 6 -14.440 -0.309 -4.350 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -15.630 1.662 -3.460 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -15.197 0.509 -2.175 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -14.250 2.001 -2.389 1.00 3.01 H new ATOM 82 N GLN A 7 -12.323 1.028 -5.640 1.00 1.57 N ATOM 83 CA GLN A 7 -11.713 1.847 -6.680 1.00 1.65 C ATOM 84 C GLN A 7 -12.613 1.933 -7.907 1.00 1.53 C ATOM 85 O GLN A 7 -13.003 3.024 -8.327 1.00 1.80 O ATOM 86 CB GLN A 7 -10.347 1.273 -7.068 1.00 2.14 C ATOM 87 CG GLN A 7 -9.202 2.264 -6.918 1.00 2.64 C ATOM 88 CD GLN A 7 -9.065 2.798 -5.507 1.00 3.04 C ATOM 89 OE1 GLN A 7 -9.280 2.082 -4.533 1.00 3.51 O ATOM 90 NE2 GLN A 7 -8.696 4.061 -5.388 1.00 3.49 N ATOM 0 H GLN A 7 -11.865 0.129 -5.492 1.00 1.57 H new ATOM 0 HA GLN A 7 -11.579 2.854 -6.285 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -10.142 0.398 -6.451 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -10.387 0.931 -8.102 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -8.270 1.781 -7.210 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -9.358 3.098 -7.603 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -8.527 4.624 -6.222 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -8.580 4.473 -4.462 1.00 3.49 H new ATOM 99 N TYR A 8 -12.953 0.780 -8.471 1.00 1.48 N ATOM 100 CA TYR A 8 -13.737 0.739 -9.699 1.00 1.47 C ATOM 101 C TYR A 8 -15.192 0.373 -9.419 1.00 1.56 C ATOM 102 O TYR A 8 -16.027 1.250 -9.200 1.00 2.27 O ATOM 103 CB TYR A 8 -13.126 -0.256 -10.690 1.00 1.61 C ATOM 104 CG TYR A 8 -13.184 0.211 -12.124 1.00 1.62 C ATOM 105 CD1 TYR A 8 -12.498 1.346 -12.534 1.00 1.71 C ATOM 106 CD2 TYR A 8 -13.927 -0.483 -13.066 1.00 1.79 C ATOM 107 CE1 TYR A 8 -12.549 1.775 -13.846 1.00 1.89 C ATOM 108 CE2 TYR A 8 -13.983 -0.062 -14.379 1.00 2.00 C ATOM 109 CZ TYR A 8 -13.290 1.075 -14.762 1.00 2.01 C ATOM 110 OH TYR A 8 -13.352 1.492 -16.073 1.00 2.32 O ATOM 0 H TYR A 8 -12.699 -0.135 -8.099 1.00 1.48 H new ATOM 0 HA TYR A 8 -13.718 1.737 -10.138 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -12.086 -0.437 -10.417 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -13.648 -1.209 -10.605 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -11.915 1.903 -11.815 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -14.471 -1.367 -12.768 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -12.007 2.659 -14.149 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -14.563 -0.615 -15.103 1.00 2.00 H new ATOM 0 HH TYR A 8 -13.920 0.879 -16.585 1.00 2.32 H new ATOM 120 N VAL A 9 -15.479 -0.928 -9.407 1.00 1.35 N ATOM 121 CA VAL A 9 -16.848 -1.429 -9.263 1.00 1.47 C ATOM 122 C VAL A 9 -17.757 -0.846 -10.346 1.00 1.51 C ATOM 123 O VAL A 9 -18.806 -0.269 -10.058 1.00 2.13 O ATOM 124 CB VAL A 9 -17.451 -1.129 -7.867 1.00 1.74 C ATOM 125 CG1 VAL A 9 -18.566 -2.111 -7.544 1.00 2.00 C ATOM 126 CG2 VAL A 9 -16.385 -1.173 -6.781 1.00 2.05 C ATOM 0 H VAL A 9 -14.776 -1.661 -9.496 1.00 1.35 H new ATOM 0 HA VAL A 9 -16.790 -2.512 -9.374 1.00 1.47 H new ATOM 0 HB VAL A 9 -17.864 -0.121 -7.896 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -18.977 -1.884 -6.560 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -19.353 -2.028 -8.294 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -18.169 -3.126 -7.546 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -16.841 -0.958 -5.815 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -15.932 -2.164 -6.756 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -15.618 -0.428 -6.994 1.00 2.05 H new ATOM 136 N ALA A 10 -17.338 -0.989 -11.596 1.00 1.41 N ATOM 137 CA ALA A 10 -18.121 -0.499 -12.721 1.00 1.50 C ATOM 138 C ALA A 10 -18.270 -1.581 -13.786 1.00 1.34 C ATOM 139 O ALA A 10 -17.471 -1.663 -14.719 1.00 1.73 O ATOM 140 CB ALA A 10 -17.481 0.749 -13.310 1.00 2.09 C ATOM 0 H ALA A 10 -16.461 -1.440 -11.856 1.00 1.41 H new ATOM 0 HA ALA A 10 -19.116 -0.238 -12.360 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -18.079 1.103 -14.150 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -17.431 1.526 -12.548 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -16.474 0.513 -13.655 1.00 2.09 H new ATOM 146 N PRO A 11 -19.286 -2.443 -13.642 1.00 1.24 N ATOM 147 CA PRO A 11 -19.576 -3.495 -14.609 1.00 1.52 C ATOM 148 C PRO A 11 -20.539 -3.022 -15.695 1.00 1.50 C ATOM 149 O PRO A 11 -20.812 -1.825 -15.813 1.00 1.83 O ATOM 150 CB PRO A 11 -20.227 -4.562 -13.735 1.00 1.87 C ATOM 151 CG PRO A 11 -20.947 -3.798 -12.672 1.00 1.88 C ATOM 152 CD PRO A 11 -20.235 -2.473 -12.516 1.00 1.45 C ATOM 0 HA PRO A 11 -18.693 -3.836 -15.149 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -20.914 -5.180 -14.312 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -19.481 -5.230 -13.305 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -21.990 -3.644 -12.948 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -20.944 -4.350 -11.732 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -20.933 -1.637 -12.560 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -19.720 -2.407 -11.558 1.00 1.45 H new ATOM 160 N THR A 12 -21.048 -3.954 -16.489 1.00 1.33 N ATOM 161 CA THR A 12 -22.014 -3.616 -17.521 1.00 1.44 C ATOM 162 C THR A 12 -23.407 -3.399 -16.924 1.00 1.40 C ATOM 163 O THR A 12 -23.889 -2.266 -16.880 1.00 1.90 O ATOM 164 CB THR A 12 -22.069 -4.697 -18.616 1.00 1.69 C ATOM 165 OG1 THR A 12 -20.741 -5.153 -18.912 1.00 1.79 O ATOM 166 CG2 THR A 12 -22.712 -4.157 -19.887 1.00 2.04 C ATOM 0 H THR A 12 -20.809 -4.944 -16.438 1.00 1.33 H new ATOM 0 HA THR A 12 -21.684 -2.683 -17.978 1.00 1.44 H new ATOM 0 HB THR A 12 -22.673 -5.525 -18.247 1.00 1.69 H new ATOM 0 HG1 THR A 12 -20.516 -5.907 -18.328 1.00 1.79 H new ATOM 0 HG21 THR A 12 -22.738 -4.941 -20.643 1.00 2.04 H new ATOM 0 HG22 THR A 12 -23.729 -3.829 -19.670 1.00 2.04 H new ATOM 0 HG23 THR A 12 -22.130 -3.313 -20.259 1.00 2.04 H new ATOM 174 N ASN A 13 -24.043 -4.473 -16.444 1.00 1.11 N ATOM 175 CA ASN A 13 -25.396 -4.372 -15.891 1.00 1.23 C ATOM 176 C ASN A 13 -25.853 -5.688 -15.260 1.00 1.03 C ATOM 177 O ASN A 13 -25.558 -6.770 -15.776 1.00 1.32 O ATOM 178 CB ASN A 13 -26.388 -3.963 -16.992 1.00 1.71 C ATOM 179 CG ASN A 13 -27.825 -3.892 -16.502 1.00 1.80 C ATOM 180 OD1 ASN A 13 -28.121 -3.257 -15.489 1.00 2.19 O ATOM 181 ND2 ASN A 13 -28.732 -4.539 -17.222 1.00 2.24 N ATOM 0 H ASN A 13 -23.647 -5.413 -16.427 1.00 1.11 H new ATOM 0 HA ASN A 13 -25.372 -3.612 -15.110 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -26.098 -2.991 -17.392 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -26.325 -4.677 -17.813 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -29.713 -4.521 -16.942 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -28.449 -5.054 -18.055 1.00 2.24 H new ATOM 188 N ALA A 14 -26.541 -5.566 -14.122 1.00 1.04 N ATOM 189 CA ALA A 14 -27.267 -6.670 -13.486 1.00 1.05 C ATOM 190 C ALA A 14 -26.360 -7.799 -12.989 1.00 0.96 C ATOM 191 O ALA A 14 -25.981 -7.830 -11.816 1.00 0.91 O ATOM 192 CB ALA A 14 -28.331 -7.216 -14.434 1.00 1.42 C ATOM 0 H ALA A 14 -26.611 -4.687 -13.609 1.00 1.04 H new ATOM 0 HA ALA A 14 -27.742 -6.254 -12.598 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.863 -8.035 -13.951 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -29.036 -6.423 -14.685 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -27.855 -7.580 -15.344 1.00 1.42 H new ATOM 198 N VAL A 15 -26.023 -8.720 -13.884 1.00 1.05 N ATOM 199 CA VAL A 15 -25.319 -9.946 -13.516 1.00 1.12 C ATOM 200 C VAL A 15 -23.959 -9.655 -12.895 1.00 0.97 C ATOM 201 O VAL A 15 -23.674 -10.081 -11.776 1.00 0.96 O ATOM 202 CB VAL A 15 -25.118 -10.878 -14.731 1.00 1.38 C ATOM 203 CG1 VAL A 15 -25.131 -12.334 -14.297 1.00 1.45 C ATOM 204 CG2 VAL A 15 -26.182 -10.636 -15.792 1.00 1.99 C ATOM 0 H VAL A 15 -26.228 -8.641 -14.880 1.00 1.05 H new ATOM 0 HA VAL A 15 -25.950 -10.444 -12.780 1.00 1.12 H new ATOM 0 HB VAL A 15 -24.145 -10.651 -15.167 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -24.988 -12.974 -15.167 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -24.327 -12.508 -13.582 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -26.088 -12.566 -13.829 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -26.014 -11.306 -16.635 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -27.168 -10.825 -15.368 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -26.126 -9.603 -16.134 1.00 1.99 H new ATOM 214 N GLU A 16 -23.134 -8.919 -13.623 1.00 0.95 N ATOM 215 CA GLU A 16 -21.772 -8.633 -13.189 1.00 0.94 C ATOM 216 C GLU A 16 -21.764 -7.807 -11.907 1.00 0.83 C ATOM 217 O GLU A 16 -20.910 -7.997 -11.043 1.00 0.86 O ATOM 218 CB GLU A 16 -21.011 -7.897 -14.292 1.00 1.06 C ATOM 219 CG GLU A 16 -21.316 -8.409 -15.688 1.00 1.37 C ATOM 220 CD GLU A 16 -20.360 -7.863 -16.725 1.00 1.45 C ATOM 221 OE1 GLU A 16 -20.254 -6.623 -16.838 1.00 1.53 O ATOM 222 OE2 GLU A 16 -19.716 -8.671 -17.435 1.00 1.93 O ATOM 0 H GLU A 16 -23.384 -8.506 -14.522 1.00 0.95 H new ATOM 0 HA GLU A 16 -21.277 -9.582 -12.984 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -21.253 -6.835 -14.243 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -19.941 -7.989 -14.106 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -21.268 -9.498 -15.691 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -22.336 -8.134 -15.958 1.00 1.37 H new ATOM 229 N SER A 17 -22.727 -6.906 -11.788 1.00 0.83 N ATOM 230 CA SER A 17 -22.823 -6.025 -10.635 1.00 0.89 C ATOM 231 C SER A 17 -23.106 -6.812 -9.357 1.00 0.85 C ATOM 232 O SER A 17 -22.451 -6.610 -8.333 1.00 0.88 O ATOM 233 CB SER A 17 -23.921 -4.994 -10.884 1.00 1.09 C ATOM 234 OG SER A 17 -24.267 -4.966 -12.261 1.00 1.48 O ATOM 0 H SER A 17 -23.460 -6.765 -12.484 1.00 0.83 H new ATOM 0 HA SER A 17 -21.868 -5.517 -10.499 1.00 0.89 H new ATOM 0 HB2 SER A 17 -24.799 -5.237 -10.286 1.00 1.09 H new ATOM 0 HB3 SER A 17 -23.582 -4.008 -10.567 1.00 1.09 H new ATOM 0 HG SER A 17 -24.973 -4.302 -12.407 1.00 1.48 H new ATOM 240 N LYS A 18 -24.071 -7.720 -9.427 1.00 0.85 N ATOM 241 CA LYS A 18 -24.453 -8.512 -8.266 1.00 0.92 C ATOM 242 C LYS A 18 -23.404 -9.577 -7.965 1.00 0.84 C ATOM 243 O LYS A 18 -23.106 -9.855 -6.803 1.00 0.85 O ATOM 244 CB LYS A 18 -25.823 -9.161 -8.488 1.00 1.07 C ATOM 245 CG LYS A 18 -26.818 -8.879 -7.372 1.00 1.38 C ATOM 246 CD LYS A 18 -26.938 -7.391 -7.091 1.00 1.76 C ATOM 247 CE LYS A 18 -28.055 -7.103 -6.103 1.00 2.42 C ATOM 248 NZ LYS A 18 -27.547 -6.507 -4.841 1.00 2.96 N ATOM 0 H LYS A 18 -24.602 -7.926 -10.273 1.00 0.85 H new ATOM 0 HA LYS A 18 -24.518 -7.845 -7.407 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.237 -8.804 -9.431 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.694 -10.239 -8.585 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -27.795 -9.278 -7.646 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -26.505 -9.397 -6.465 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -25.994 -7.017 -6.695 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -27.127 -6.857 -8.022 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -28.775 -6.424 -6.559 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -28.586 -8.028 -5.878 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -27.935 -7.029 -4.030 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -26.509 -6.563 -4.824 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -27.841 -5.511 -4.785 1.00 2.96 H new ATOM 262 N LEU A 19 -22.836 -10.159 -9.018 1.00 0.82 N ATOM 263 CA LEU A 19 -21.816 -11.194 -8.868 1.00 0.84 C ATOM 264 C LEU A 19 -20.591 -10.650 -8.144 1.00 0.80 C ATOM 265 O LEU A 19 -20.121 -11.243 -7.173 1.00 0.82 O ATOM 266 CB LEU A 19 -21.412 -11.751 -10.239 1.00 0.96 C ATOM 267 CG LEU A 19 -21.800 -13.209 -10.508 1.00 1.16 C ATOM 268 CD1 LEU A 19 -20.555 -14.061 -10.693 1.00 1.73 C ATOM 269 CD2 LEU A 19 -22.665 -13.767 -9.388 1.00 1.81 C ATOM 0 H LEU A 19 -23.065 -9.931 -9.986 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.240 -12.000 -8.270 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.862 -11.127 -11.011 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.331 -11.657 -10.344 1.00 0.96 H new ATOM 0 HG LEU A 19 -22.386 -13.237 -11.427 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -20.846 -15.094 -10.883 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -19.979 -13.685 -11.538 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -19.946 -14.016 -9.790 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -22.923 -14.803 -9.609 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -22.116 -13.723 -8.448 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -23.577 -13.176 -9.304 1.00 1.81 H new ATOM 281 N ALA A 20 -20.093 -9.510 -8.610 1.00 0.82 N ATOM 282 CA ALA A 20 -18.931 -8.878 -7.999 1.00 0.91 C ATOM 283 C ALA A 20 -19.219 -8.510 -6.549 1.00 0.84 C ATOM 284 O ALA A 20 -18.381 -8.711 -5.672 1.00 0.87 O ATOM 285 CB ALA A 20 -18.520 -7.645 -8.789 1.00 1.08 C ATOM 0 H ALA A 20 -20.476 -9.005 -9.409 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.106 -9.590 -8.014 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -17.651 -7.185 -8.319 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.270 -7.934 -9.810 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -19.344 -6.932 -8.805 1.00 1.08 H new ATOM 291 N GLU A 21 -20.420 -7.990 -6.312 1.00 0.85 N ATOM 292 CA GLU A 21 -20.854 -7.592 -4.978 1.00 0.94 C ATOM 293 C GLU A 21 -20.687 -8.738 -3.983 1.00 0.84 C ATOM 294 O GLU A 21 -19.984 -8.606 -2.978 1.00 0.85 O ATOM 295 CB GLU A 21 -22.316 -7.146 -5.029 1.00 1.13 C ATOM 296 CG GLU A 21 -22.783 -6.408 -3.788 1.00 1.72 C ATOM 297 CD GLU A 21 -24.294 -6.406 -3.647 1.00 2.05 C ATOM 298 OE1 GLU A 21 -24.983 -5.985 -4.601 1.00 2.69 O ATOM 299 OE2 GLU A 21 -24.802 -6.826 -2.586 1.00 2.14 O ATOM 0 H GLU A 21 -21.118 -7.833 -7.039 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.232 -6.762 -4.642 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -22.458 -6.502 -5.897 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -22.947 -8.022 -5.176 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -22.340 -6.870 -2.906 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -22.423 -5.380 -3.824 1.00 1.72 H new ATOM 306 N ILE A 22 -21.317 -9.867 -4.282 1.00 0.83 N ATOM 307 CA ILE A 22 -21.268 -11.027 -3.402 1.00 0.91 C ATOM 308 C ILE A 22 -19.853 -11.585 -3.300 1.00 0.82 C ATOM 309 O ILE A 22 -19.319 -11.754 -2.206 1.00 0.86 O ATOM 310 CB ILE A 22 -22.210 -12.153 -3.885 1.00 1.09 C ATOM 311 CG1 ILE A 22 -23.621 -11.616 -4.131 1.00 1.25 C ATOM 312 CG2 ILE A 22 -22.247 -13.288 -2.871 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.414 -12.433 -5.128 1.00 1.91 C ATOM 0 H ILE A 22 -21.869 -10.004 -5.129 1.00 0.83 H new ATOM 0 HA ILE A 22 -21.597 -10.683 -2.422 1.00 0.91 H new ATOM 0 HB ILE A 22 -21.821 -12.538 -4.828 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -24.161 -11.589 -3.184 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -23.553 -10.588 -4.488 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -22.915 -14.072 -3.227 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -21.244 -13.696 -2.744 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -22.608 -12.910 -1.915 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.404 -11.994 -5.253 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -23.896 -12.439 -6.087 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -24.514 -13.455 -4.763 1.00 1.91 H new ATOM 325 N TRP A 23 -19.241 -11.848 -4.447 1.00 0.79 N ATOM 326 CA TRP A 23 -17.958 -12.537 -4.493 1.00 0.84 C ATOM 327 C TRP A 23 -16.855 -11.761 -3.778 1.00 0.82 C ATOM 328 O TRP A 23 -16.174 -12.307 -2.909 1.00 0.94 O ATOM 329 CB TRP A 23 -17.554 -12.812 -5.941 1.00 0.90 C ATOM 330 CG TRP A 23 -18.012 -14.156 -6.424 1.00 0.98 C ATOM 331 CD1 TRP A 23 -19.113 -14.426 -7.183 1.00 1.26 C ATOM 332 CD2 TRP A 23 -17.382 -15.419 -6.168 1.00 0.95 C ATOM 333 NE1 TRP A 23 -19.208 -15.778 -7.411 1.00 1.33 N ATOM 334 CE2 TRP A 23 -18.158 -16.407 -6.801 1.00 1.14 C ATOM 335 CE3 TRP A 23 -16.239 -15.809 -5.463 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -17.823 -17.759 -6.752 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -15.910 -17.151 -5.416 1.00 1.16 C ATOM 338 CH2 TRP A 23 -16.699 -18.111 -6.056 1.00 1.24 C ATOM 0 H TRP A 23 -19.614 -11.593 -5.362 1.00 0.79 H new ATOM 0 HA TRP A 23 -18.084 -13.482 -3.965 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.972 -12.037 -6.584 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -16.469 -12.749 -6.030 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -19.808 -13.686 -7.551 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -19.943 -16.238 -7.948 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.624 -15.075 -4.964 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -18.430 -18.503 -7.246 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -15.028 -17.463 -4.876 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -16.416 -19.152 -6.000 1.00 1.24 H new ATOM 349 N GLU A 24 -16.699 -10.487 -4.116 1.00 0.80 N ATOM 350 CA GLU A 24 -15.593 -9.691 -3.592 1.00 0.93 C ATOM 351 C GLU A 24 -15.817 -9.295 -2.129 1.00 0.90 C ATOM 352 O GLU A 24 -14.900 -8.802 -1.469 1.00 1.04 O ATOM 353 CB GLU A 24 -15.376 -8.446 -4.461 1.00 1.20 C ATOM 354 CG GLU A 24 -14.986 -8.769 -5.899 1.00 1.75 C ATOM 355 CD GLU A 24 -13.873 -7.880 -6.424 1.00 2.29 C ATOM 356 OE1 GLU A 24 -13.454 -6.958 -5.695 1.00 2.78 O ATOM 357 OE2 GLU A 24 -13.409 -8.104 -7.563 1.00 2.65 O ATOM 0 H GLU A 24 -17.321 -9.983 -4.748 1.00 0.80 H new ATOM 0 HA GLU A 24 -14.696 -10.309 -3.627 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -16.290 -7.852 -4.465 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -14.597 -7.830 -4.011 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -14.671 -9.811 -5.959 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -15.861 -8.663 -6.540 1.00 1.75 H new ATOM 364 N ARG A 25 -17.026 -9.519 -1.616 1.00 0.97 N ATOM 365 CA ARG A 25 -17.311 -9.216 -0.214 1.00 1.16 C ATOM 366 C ARG A 25 -17.269 -10.476 0.655 1.00 1.21 C ATOM 367 O ARG A 25 -17.077 -10.393 1.866 1.00 1.50 O ATOM 368 CB ARG A 25 -18.670 -8.523 -0.072 1.00 1.41 C ATOM 369 CG ARG A 25 -19.842 -9.480 0.112 1.00 1.99 C ATOM 370 CD ARG A 25 -20.796 -8.999 1.195 1.00 2.67 C ATOM 371 NE ARG A 25 -21.590 -7.851 0.755 1.00 3.12 N ATOM 372 CZ ARG A 25 -22.655 -7.941 -0.042 1.00 3.67 C ATOM 373 NH1 ARG A 25 -23.074 -9.129 -0.468 1.00 3.90 N ATOM 374 NH2 ARG A 25 -23.312 -6.845 -0.402 1.00 4.40 N ATOM 0 H ARG A 25 -17.812 -9.903 -2.140 1.00 0.97 H new ATOM 0 HA ARG A 25 -16.532 -8.539 0.136 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -18.632 -7.844 0.780 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -18.849 -7.913 -0.958 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -20.381 -9.580 -0.830 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -19.466 -10.470 0.371 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -21.462 -9.813 1.479 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -20.228 -8.727 2.084 1.00 2.67 H new ATOM 0 HE ARG A 25 -21.311 -6.925 1.078 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -22.580 -9.975 -0.185 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -23.889 -9.194 -1.078 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -23.002 -5.932 -0.069 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -24.127 -6.916 -1.012 1.00 4.40 H new ATOM 388 N VAL A 26 -17.450 -11.636 0.031 1.00 1.11 N ATOM 389 CA VAL A 26 -17.516 -12.896 0.766 1.00 1.34 C ATOM 390 C VAL A 26 -16.217 -13.687 0.635 1.00 1.36 C ATOM 391 O VAL A 26 -15.639 -14.121 1.632 1.00 1.78 O ATOM 392 CB VAL A 26 -18.705 -13.760 0.284 1.00 1.54 C ATOM 393 CG1 VAL A 26 -18.638 -15.161 0.872 1.00 2.01 C ATOM 394 CG2 VAL A 26 -20.022 -13.098 0.651 1.00 1.66 C ATOM 0 H VAL A 26 -17.553 -11.730 -0.979 1.00 1.11 H new ATOM 0 HA VAL A 26 -17.665 -12.647 1.817 1.00 1.34 H new ATOM 0 HB VAL A 26 -18.642 -13.844 -0.801 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -19.486 -15.746 0.516 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -17.710 -15.642 0.562 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -18.670 -15.101 1.960 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -20.849 -13.718 0.305 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -20.082 -12.983 1.733 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -20.081 -12.118 0.178 1.00 1.66 H new ATOM 404 N LEU A 27 -15.752 -13.862 -0.597 1.00 1.20 N ATOM 405 CA LEU A 27 -14.549 -14.644 -0.853 1.00 1.40 C ATOM 406 C LEU A 27 -13.313 -13.884 -0.382 1.00 1.42 C ATOM 407 O LEU A 27 -12.298 -14.479 -0.020 1.00 1.89 O ATOM 408 CB LEU A 27 -14.451 -14.988 -2.346 1.00 1.51 C ATOM 409 CG LEU A 27 -13.116 -14.667 -3.028 1.00 2.02 C ATOM 410 CD1 LEU A 27 -12.370 -15.946 -3.374 1.00 2.17 C ATOM 411 CD2 LEU A 27 -13.348 -13.833 -4.279 1.00 2.85 C ATOM 0 H LEU A 27 -16.189 -13.473 -1.433 1.00 1.20 H new ATOM 0 HA LEU A 27 -14.605 -15.577 -0.292 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -14.650 -16.053 -2.466 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -15.242 -14.455 -2.873 1.00 1.51 H new ATOM 0 HG LEU A 27 -12.505 -14.091 -2.334 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -11.425 -15.697 -3.857 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -12.174 -16.511 -2.463 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -12.976 -16.549 -4.051 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -12.391 -13.613 -4.752 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -13.978 -14.388 -4.975 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -13.842 -12.900 -4.008 1.00 2.85 H new ATOM 423 N GLY A 28 -13.416 -12.566 -0.383 1.00 1.29 N ATOM 424 CA GLY A 28 -12.338 -11.730 0.090 1.00 1.52 C ATOM 425 C GLY A 28 -12.870 -10.476 0.740 1.00 1.37 C ATOM 426 O GLY A 28 -14.066 -10.374 0.998 1.00 1.73 O ATOM 0 H GLY A 28 -14.238 -12.056 -0.707 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -11.730 -12.284 0.805 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -11.687 -11.464 -0.743 1.00 1.52 H new ATOM 430 N VAL A 29 -11.994 -9.528 1.007 1.00 1.31 N ATOM 431 CA VAL A 29 -12.398 -8.253 1.577 1.00 1.31 C ATOM 432 C VAL A 29 -12.046 -7.134 0.595 1.00 1.43 C ATOM 433 O VAL A 29 -11.316 -6.189 0.902 1.00 1.90 O ATOM 434 CB VAL A 29 -11.746 -8.028 2.969 1.00 1.49 C ATOM 435 CG1 VAL A 29 -10.224 -8.019 2.886 1.00 1.78 C ATOM 436 CG2 VAL A 29 -12.273 -6.754 3.620 1.00 1.92 C ATOM 0 H VAL A 29 -10.992 -9.615 0.838 1.00 1.31 H new ATOM 0 HA VAL A 29 -13.476 -8.252 1.737 1.00 1.31 H new ATOM 0 HB VAL A 29 -12.028 -8.870 3.602 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -9.806 -7.859 3.880 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -9.875 -8.975 2.495 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -9.901 -7.217 2.223 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -11.800 -6.620 4.593 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -12.043 -5.899 2.984 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -13.353 -6.831 3.748 1.00 1.92 H new ATOM 446 N SER A 30 -12.566 -7.266 -0.613 1.00 1.40 N ATOM 447 CA SER A 30 -12.232 -6.349 -1.681 1.00 1.56 C ATOM 448 C SER A 30 -13.446 -5.515 -2.097 1.00 1.53 C ATOM 449 O SER A 30 -14.110 -4.906 -1.251 1.00 2.21 O ATOM 450 CB SER A 30 -11.660 -7.127 -2.870 1.00 1.76 C ATOM 451 OG SER A 30 -10.636 -8.018 -2.445 1.00 1.94 O ATOM 0 H SER A 30 -13.222 -8.002 -0.876 1.00 1.40 H new ATOM 0 HA SER A 30 -11.474 -5.654 -1.320 1.00 1.56 H new ATOM 0 HB2 SER A 30 -12.456 -7.688 -3.360 1.00 1.76 H new ATOM 0 HB3 SER A 30 -11.260 -6.431 -3.607 1.00 1.76 H new ATOM 0 HG SER A 30 -10.514 -8.721 -3.117 1.00 1.94 H new ATOM 457 N GLY A 31 -13.746 -5.508 -3.385 1.00 1.30 N ATOM 458 CA GLY A 31 -14.742 -4.604 -3.910 1.00 1.27 C ATOM 459 C GLY A 31 -14.136 -3.682 -4.941 1.00 1.21 C ATOM 460 O GLY A 31 -14.279 -2.460 -4.864 1.00 1.58 O ATOM 0 H GLY A 31 -13.314 -6.117 -4.080 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -15.557 -5.173 -4.358 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -15.172 -4.017 -3.098 1.00 1.27 H new ATOM 464 N ILE A 32 -13.429 -4.269 -5.893 1.00 1.13 N ATOM 465 CA ILE A 32 -12.761 -3.506 -6.932 1.00 1.29 C ATOM 466 C ILE A 32 -13.305 -3.878 -8.311 1.00 1.38 C ATOM 467 O ILE A 32 -13.583 -3.002 -9.136 1.00 2.01 O ATOM 468 CB ILE A 32 -11.222 -3.704 -6.882 1.00 1.71 C ATOM 469 CG1 ILE A 32 -10.546 -3.045 -8.087 1.00 2.68 C ATOM 470 CG2 ILE A 32 -10.856 -5.183 -6.803 1.00 2.03 C ATOM 471 CD1 ILE A 32 -9.251 -2.343 -7.742 1.00 3.56 C ATOM 0 H ILE A 32 -13.303 -5.279 -5.967 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.967 -2.451 -6.750 1.00 1.29 H new ATOM 0 HB ILE A 32 -10.857 -3.219 -5.977 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -10.348 -3.805 -8.843 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -11.234 -2.325 -8.531 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -9.772 -5.288 -6.769 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -11.291 -5.618 -5.903 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -11.244 -5.701 -7.680 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -8.827 -1.899 -8.643 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -9.446 -1.560 -7.009 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -8.546 -3.063 -7.326 1.00 3.56 H new ATOM 483 N GLY A 33 -13.484 -5.170 -8.549 1.00 1.59 N ATOM 484 CA GLY A 33 -14.027 -5.621 -9.811 1.00 1.93 C ATOM 485 C GLY A 33 -13.022 -5.543 -10.942 1.00 1.81 C ATOM 486 O GLY A 33 -11.873 -5.961 -10.793 1.00 2.28 O ATOM 0 H GLY A 33 -13.262 -5.914 -7.888 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -14.371 -6.650 -9.707 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -14.899 -5.017 -10.063 1.00 1.93 H new ATOM 490 N ILE A 34 -13.451 -4.988 -12.068 1.00 1.73 N ATOM 491 CA ILE A 34 -12.621 -4.931 -13.265 1.00 1.78 C ATOM 492 C ILE A 34 -11.536 -3.866 -13.142 1.00 1.93 C ATOM 493 O ILE A 34 -11.765 -2.695 -13.440 1.00 2.58 O ATOM 494 CB ILE A 34 -13.463 -4.650 -14.531 1.00 1.94 C ATOM 495 CG1 ILE A 34 -14.851 -5.302 -14.420 1.00 2.07 C ATOM 496 CG2 ILE A 34 -12.732 -5.139 -15.776 1.00 2.43 C ATOM 497 CD1 ILE A 34 -14.830 -6.817 -14.512 1.00 2.67 C ATOM 0 H ILE A 34 -14.374 -4.569 -12.178 1.00 1.73 H new ATOM 0 HA ILE A 34 -12.152 -5.910 -13.362 1.00 1.78 H new ATOM 0 HB ILE A 34 -13.604 -3.573 -14.617 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -15.303 -5.012 -13.471 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -15.490 -4.909 -15.211 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -13.338 -4.934 -16.658 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -11.777 -4.622 -15.864 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -12.558 -6.212 -15.698 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -15.846 -7.201 -14.425 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -14.409 -7.117 -15.472 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -14.219 -7.222 -13.705 1.00 2.67 H new ATOM 509 N LEU A 35 -10.362 -4.288 -12.694 1.00 1.70 N ATOM 510 CA LEU A 35 -9.201 -3.412 -12.565 1.00 1.89 C ATOM 511 C LEU A 35 -7.992 -4.245 -12.171 1.00 1.85 C ATOM 512 O LEU A 35 -7.034 -4.375 -12.929 1.00 2.19 O ATOM 513 CB LEU A 35 -9.444 -2.321 -11.512 1.00 2.03 C ATOM 514 CG LEU A 35 -9.347 -0.877 -12.016 1.00 1.96 C ATOM 515 CD1 LEU A 35 -8.982 0.057 -10.873 1.00 2.44 C ATOM 516 CD2 LEU A 35 -8.329 -0.761 -13.139 1.00 2.46 C ATOM 0 H LEU A 35 -10.185 -5.251 -12.408 1.00 1.70 H new ATOM 0 HA LEU A 35 -9.024 -2.923 -13.523 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -10.435 -2.471 -11.083 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -8.723 -2.454 -10.705 1.00 2.03 H new ATOM 0 HG LEU A 35 -10.321 -0.587 -12.410 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -8.916 1.079 -11.245 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -9.747 0.001 -10.099 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -8.020 -0.239 -10.454 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -8.279 0.273 -13.479 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -7.349 -1.071 -12.776 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -8.628 -1.402 -13.969 1.00 2.46 H new ATOM 528 N ASP A 36 -8.058 -4.816 -10.979 1.00 1.95 N ATOM 529 CA ASP A 36 -7.025 -5.716 -10.485 1.00 2.14 C ATOM 530 C ASP A 36 -7.700 -6.948 -9.905 1.00 1.49 C ATOM 531 O ASP A 36 -7.425 -7.364 -8.780 1.00 1.80 O ATOM 532 CB ASP A 36 -6.155 -5.029 -9.429 1.00 3.20 C ATOM 533 CG ASP A 36 -4.689 -5.387 -9.570 1.00 3.75 C ATOM 534 OD1 ASP A 36 -4.380 -6.577 -9.800 1.00 4.20 O ATOM 535 OD2 ASP A 36 -3.839 -4.485 -9.453 1.00 4.01 O ATOM 0 H ASP A 36 -8.828 -4.670 -10.326 1.00 1.95 H new ATOM 0 HA ASP A 36 -6.369 -6.003 -11.306 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -6.272 -3.949 -9.512 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -6.502 -5.312 -8.435 1.00 3.20 H new ATOM 540 N ASN A 37 -8.610 -7.496 -10.696 1.00 1.38 N ATOM 541 CA ASN A 37 -9.463 -8.606 -10.288 1.00 1.74 C ATOM 542 C ASN A 37 -8.656 -9.859 -9.973 1.00 1.40 C ATOM 543 O ASN A 37 -8.326 -10.638 -10.863 1.00 1.90 O ATOM 544 CB ASN A 37 -10.505 -8.921 -11.377 1.00 2.65 C ATOM 545 CG ASN A 37 -10.191 -8.297 -12.732 1.00 3.55 C ATOM 546 OD1 ASN A 37 -10.038 -7.081 -12.859 1.00 4.12 O ATOM 547 ND2 ASN A 37 -10.103 -9.124 -13.760 1.00 4.13 N ATOM 0 H ASN A 37 -8.780 -7.180 -11.651 1.00 1.38 H new ATOM 0 HA ASN A 37 -9.974 -8.296 -9.377 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -10.578 -10.002 -11.494 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -11.482 -8.570 -11.044 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -9.903 -8.760 -14.692 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -10.235 -10.126 -13.621 1.00 4.13 H new ATOM 554 N PHE A 38 -8.367 -10.057 -8.693 1.00 1.23 N ATOM 555 CA PHE A 38 -7.634 -11.235 -8.235 1.00 1.41 C ATOM 556 C PHE A 38 -8.459 -12.507 -8.437 1.00 1.51 C ATOM 557 O PHE A 38 -7.923 -13.616 -8.431 1.00 2.27 O ATOM 558 CB PHE A 38 -7.248 -11.085 -6.754 1.00 1.89 C ATOM 559 CG PHE A 38 -8.413 -11.154 -5.800 1.00 1.43 C ATOM 560 CD1 PHE A 38 -9.343 -10.129 -5.750 1.00 1.78 C ATOM 561 CD2 PHE A 38 -8.579 -12.245 -4.960 1.00 1.62 C ATOM 562 CE1 PHE A 38 -10.415 -10.188 -4.879 1.00 1.88 C ATOM 563 CE2 PHE A 38 -9.646 -12.309 -4.087 1.00 2.03 C ATOM 564 CZ PHE A 38 -10.554 -11.283 -4.033 1.00 1.97 C ATOM 0 H PHE A 38 -8.630 -9.413 -7.947 1.00 1.23 H new ATOM 0 HA PHE A 38 -6.725 -11.318 -8.831 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -6.535 -11.868 -6.495 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -6.738 -10.131 -6.618 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -9.229 -9.273 -6.399 1.00 1.78 H new ATOM 0 HD2 PHE A 38 -7.865 -13.054 -4.989 1.00 1.62 H new ATOM 0 HE1 PHE A 38 -11.140 -9.388 -4.856 1.00 1.88 H new ATOM 0 HE2 PHE A 38 -9.766 -13.169 -3.445 1.00 2.03 H new ATOM 0 HZ PHE A 38 -11.376 -11.325 -3.334 1.00 1.97 H new ATOM 574 N PHE A 39 -9.761 -12.336 -8.618 1.00 1.24 N ATOM 575 CA PHE A 39 -10.664 -13.460 -8.814 1.00 1.51 C ATOM 576 C PHE A 39 -10.861 -13.737 -10.303 1.00 1.25 C ATOM 577 O PHE A 39 -10.447 -14.779 -10.813 1.00 1.22 O ATOM 578 CB PHE A 39 -12.010 -13.171 -8.124 1.00 2.01 C ATOM 579 CG PHE A 39 -13.140 -14.076 -8.540 1.00 1.77 C ATOM 580 CD1 PHE A 39 -13.051 -15.443 -8.337 1.00 1.63 C ATOM 581 CD2 PHE A 39 -14.281 -13.563 -9.135 1.00 1.94 C ATOM 582 CE1 PHE A 39 -14.076 -16.282 -8.719 1.00 1.63 C ATOM 583 CE2 PHE A 39 -15.312 -14.398 -9.520 1.00 1.93 C ATOM 584 CZ PHE A 39 -15.237 -15.728 -9.303 1.00 1.75 C ATOM 0 H PHE A 39 -10.217 -11.424 -8.633 1.00 1.24 H new ATOM 0 HA PHE A 39 -10.226 -14.352 -8.365 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -11.875 -13.254 -7.046 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -12.294 -12.139 -8.331 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -12.168 -15.857 -7.874 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -14.365 -12.499 -9.300 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -13.993 -17.349 -8.574 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -16.186 -13.983 -9.999 1.00 1.93 H new ATOM 0 HZ PHE A 39 -16.063 -16.368 -9.575 1.00 1.75 H new ATOM 594 N GLN A 40 -11.454 -12.779 -11.005 1.00 1.25 N ATOM 595 CA GLN A 40 -11.822 -12.967 -12.404 1.00 1.25 C ATOM 596 C GLN A 40 -10.652 -12.665 -13.343 1.00 1.28 C ATOM 597 O GLN A 40 -10.754 -11.786 -14.196 1.00 1.93 O ATOM 598 CB GLN A 40 -13.028 -12.087 -12.762 1.00 1.46 C ATOM 599 CG GLN A 40 -13.235 -10.906 -11.822 1.00 1.85 C ATOM 600 CD GLN A 40 -14.685 -10.475 -11.721 1.00 1.75 C ATOM 601 OE1 GLN A 40 -15.474 -10.680 -12.641 1.00 2.39 O ATOM 602 NE2 GLN A 40 -15.044 -9.865 -10.600 1.00 1.80 N ATOM 0 H GLN A 40 -11.691 -11.862 -10.628 1.00 1.25 H new ATOM 0 HA GLN A 40 -12.092 -14.015 -12.535 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -12.902 -11.712 -13.778 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -13.928 -12.703 -12.759 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -12.871 -11.171 -10.829 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -12.635 -10.064 -12.168 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -14.359 -9.714 -9.860 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -16.005 -9.547 -10.478 1.00 1.80 H new ATOM 611 N ILE A 41 -9.549 -13.402 -13.158 1.00 1.12 N ATOM 612 CA ILE A 41 -8.359 -13.334 -14.025 1.00 1.27 C ATOM 613 C ILE A 41 -7.122 -13.813 -13.272 1.00 1.35 C ATOM 614 O ILE A 41 -6.152 -14.274 -13.879 1.00 1.77 O ATOM 615 CB ILE A 41 -8.089 -11.920 -14.620 1.00 1.70 C ATOM 616 CG1 ILE A 41 -7.460 -12.048 -16.010 1.00 2.36 C ATOM 617 CG2 ILE A 41 -7.193 -11.085 -13.714 1.00 2.27 C ATOM 618 CD1 ILE A 41 -8.311 -12.819 -16.995 1.00 3.23 C ATOM 0 H ILE A 41 -9.454 -14.071 -12.394 1.00 1.12 H new ATOM 0 HA ILE A 41 -8.572 -13.993 -14.867 1.00 1.27 H new ATOM 0 HB ILE A 41 -9.047 -11.406 -14.700 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -7.274 -11.050 -16.408 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -6.492 -12.540 -15.917 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -7.030 -10.107 -14.166 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -7.672 -10.961 -12.743 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -6.235 -11.589 -13.584 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -7.800 -12.868 -17.957 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -8.477 -13.829 -16.620 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -9.270 -12.316 -17.119 1.00 3.23 H new ATOM 630 N GLY A 42 -7.168 -13.716 -11.947 1.00 1.60 N ATOM 631 CA GLY A 42 -6.038 -14.118 -11.128 1.00 1.96 C ATOM 632 C GLY A 42 -5.799 -15.615 -11.152 1.00 1.64 C ATOM 633 O GLY A 42 -4.678 -16.077 -10.936 1.00 2.06 O ATOM 0 H GLY A 42 -7.970 -13.365 -11.424 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -5.141 -13.606 -11.477 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -6.208 -13.798 -10.100 1.00 1.96 H new ATOM 637 N GLY A 43 -6.850 -16.374 -11.413 1.00 1.60 N ATOM 638 CA GLY A 43 -6.730 -17.815 -11.462 1.00 1.92 C ATOM 639 C GLY A 43 -8.051 -18.499 -11.214 1.00 1.62 C ATOM 640 O GLY A 43 -8.920 -18.520 -12.085 1.00 2.17 O ATOM 0 H GLY A 43 -7.788 -16.016 -11.593 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -6.344 -18.114 -12.436 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -6.005 -18.144 -10.717 1.00 1.92 H new ATOM 644 N HIS A 44 -8.210 -19.047 -10.020 1.00 1.25 N ATOM 645 CA HIS A 44 -9.441 -19.732 -9.653 1.00 1.22 C ATOM 646 C HIS A 44 -9.556 -19.853 -8.141 1.00 1.13 C ATOM 647 O HIS A 44 -8.545 -19.936 -7.440 1.00 1.36 O ATOM 648 CB HIS A 44 -9.517 -21.129 -10.298 1.00 1.54 C ATOM 649 CG HIS A 44 -8.313 -22.009 -10.071 1.00 1.39 C ATOM 650 ND1 HIS A 44 -7.474 -21.898 -8.980 1.00 1.94 N ATOM 651 CD2 HIS A 44 -7.822 -23.032 -10.811 1.00 1.92 C ATOM 652 CE1 HIS A 44 -6.525 -22.811 -9.061 1.00 2.26 C ATOM 653 NE2 HIS A 44 -6.713 -23.511 -10.162 1.00 2.26 N ATOM 0 H HIS A 44 -7.501 -19.031 -9.287 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.274 -19.136 -10.026 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -10.399 -21.641 -9.913 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -9.661 -21.008 -11.372 1.00 1.54 H new ATOM 0 HD1 HIS A 44 -7.573 -21.216 -8.228 1.00 1.94 H new ATOM 0 HD2 HIS A 44 -8.229 -23.402 -11.740 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -5.729 -22.960 -8.346 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -6.128 -24.284 -10.480 1.00 2.26 H new ATOM 662 N SER A 45 -10.780 -19.850 -7.645 1.00 1.01 N ATOM 663 CA SER A 45 -11.032 -20.082 -6.235 1.00 1.10 C ATOM 664 C SER A 45 -10.997 -21.579 -5.945 1.00 1.13 C ATOM 665 O SER A 45 -10.808 -22.385 -6.857 1.00 1.31 O ATOM 666 CB SER A 45 -12.391 -19.495 -5.855 1.00 1.19 C ATOM 667 OG SER A 45 -13.037 -18.955 -6.997 1.00 1.19 O ATOM 0 H SER A 45 -11.619 -19.688 -8.202 1.00 1.01 H new ATOM 0 HA SER A 45 -10.260 -19.594 -5.641 1.00 1.10 H new ATOM 0 HB2 SER A 45 -13.016 -20.269 -5.409 1.00 1.19 H new ATOM 0 HB3 SER A 45 -12.260 -18.717 -5.102 1.00 1.19 H new ATOM 0 HG SER A 45 -13.013 -17.976 -6.954 1.00 1.19 H new ATOM 673 N LEU A 46 -11.176 -21.952 -4.692 1.00 1.21 N ATOM 674 CA LEU A 46 -11.188 -23.358 -4.322 1.00 1.32 C ATOM 675 C LEU A 46 -12.532 -23.730 -3.711 1.00 1.35 C ATOM 676 O LEU A 46 -12.616 -24.161 -2.559 1.00 1.77 O ATOM 677 CB LEU A 46 -10.042 -23.668 -3.354 1.00 1.50 C ATOM 678 CG LEU A 46 -9.124 -24.818 -3.777 1.00 1.83 C ATOM 679 CD1 LEU A 46 -8.492 -24.533 -5.133 1.00 2.37 C ATOM 680 CD2 LEU A 46 -8.052 -25.055 -2.724 1.00 2.35 C ATOM 0 H LEU A 46 -11.315 -21.306 -3.915 1.00 1.21 H new ATOM 0 HA LEU A 46 -11.042 -23.958 -5.220 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -9.438 -22.769 -3.231 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -10.466 -23.903 -2.378 1.00 1.50 H new ATOM 0 HG LEU A 46 -9.725 -25.723 -3.867 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -7.844 -25.363 -5.414 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -9.275 -24.415 -5.882 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -7.904 -23.617 -5.075 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -7.407 -25.876 -3.039 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -7.455 -24.151 -2.602 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -8.524 -25.309 -1.775 1.00 2.35 H new ATOM 692 N LYS A 47 -13.585 -23.549 -4.494 1.00 1.23 N ATOM 693 CA LYS A 47 -14.936 -23.847 -4.051 1.00 1.28 C ATOM 694 C LYS A 47 -15.702 -24.567 -5.156 1.00 1.27 C ATOM 695 O LYS A 47 -15.168 -24.775 -6.246 1.00 1.27 O ATOM 696 CB LYS A 47 -15.664 -22.562 -3.647 1.00 1.30 C ATOM 697 CG LYS A 47 -15.762 -22.360 -2.142 1.00 1.49 C ATOM 698 CD LYS A 47 -17.154 -22.685 -1.626 1.00 1.72 C ATOM 699 CE LYS A 47 -17.660 -21.610 -0.679 1.00 1.61 C ATOM 700 NZ LYS A 47 -19.115 -21.356 -0.847 1.00 2.27 N ATOM 0 H LYS A 47 -13.527 -23.194 -5.448 1.00 1.23 H new ATOM 0 HA LYS A 47 -14.882 -24.499 -3.179 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -15.147 -21.709 -4.086 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -16.669 -22.577 -4.069 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -15.030 -22.993 -1.640 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -15.513 -21.328 -1.895 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -17.841 -22.784 -2.466 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -17.138 -23.646 -1.112 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -17.461 -21.911 0.350 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -17.109 -20.686 -0.853 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -19.417 -20.616 -0.182 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -19.303 -21.044 -1.821 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -19.644 -22.231 -0.656 1.00 2.27 H new ATOM 714 N ALA A 48 -16.954 -24.920 -4.879 1.00 1.33 N ATOM 715 CA ALA A 48 -17.773 -25.692 -5.813 1.00 1.38 C ATOM 716 C ALA A 48 -17.929 -24.985 -7.159 1.00 1.18 C ATOM 717 O ALA A 48 -17.950 -25.631 -8.204 1.00 1.05 O ATOM 718 CB ALA A 48 -19.137 -25.978 -5.204 1.00 1.64 C ATOM 0 H ALA A 48 -17.428 -24.682 -4.008 1.00 1.33 H new ATOM 0 HA ALA A 48 -17.258 -26.634 -5.999 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -19.737 -26.553 -5.909 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -19.012 -26.549 -4.284 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -19.641 -25.037 -4.982 1.00 1.64 H new ATOM 724 N MET A 49 -18.034 -23.660 -7.129 1.00 1.20 N ATOM 725 CA MET A 49 -18.149 -22.869 -8.353 1.00 1.09 C ATOM 726 C MET A 49 -16.955 -23.110 -9.277 1.00 0.94 C ATOM 727 O MET A 49 -17.098 -23.152 -10.499 1.00 0.85 O ATOM 728 CB MET A 49 -18.258 -21.379 -8.012 1.00 1.22 C ATOM 729 CG MET A 49 -18.086 -20.453 -9.210 1.00 1.35 C ATOM 730 SD MET A 49 -19.641 -19.729 -9.772 1.00 1.95 S ATOM 731 CE MET A 49 -19.067 -18.175 -10.457 1.00 2.58 C ATOM 0 H MET A 49 -18.042 -23.110 -6.270 1.00 1.20 H new ATOM 0 HA MET A 49 -19.053 -23.183 -8.875 1.00 1.09 H new ATOM 0 HB2 MET A 49 -19.231 -21.191 -7.558 1.00 1.22 H new ATOM 0 HB3 MET A 49 -17.504 -21.132 -7.264 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.393 -19.653 -8.947 1.00 1.35 H new ATOM 0 HG3 MET A 49 -17.634 -21.010 -10.031 1.00 1.35 H new ATOM 0 HE1 MET A 49 -19.916 -17.613 -10.846 1.00 2.58 H new ATOM 0 HE2 MET A 49 -18.573 -17.594 -9.678 1.00 2.58 H new ATOM 0 HE3 MET A 49 -18.362 -18.372 -11.265 1.00 2.58 H new ATOM 741 N ALA A 50 -15.783 -23.284 -8.679 1.00 0.96 N ATOM 742 CA ALA A 50 -14.560 -23.506 -9.439 1.00 0.90 C ATOM 743 C ALA A 50 -14.518 -24.925 -9.995 1.00 0.84 C ATOM 744 O ALA A 50 -14.081 -25.145 -11.126 1.00 0.80 O ATOM 745 CB ALA A 50 -13.342 -23.241 -8.570 1.00 1.06 C ATOM 0 H ALA A 50 -15.654 -23.276 -7.667 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.548 -22.811 -10.278 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.436 -23.411 -9.152 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -13.361 -22.208 -8.222 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.354 -23.913 -7.712 1.00 1.06 H new ATOM 751 N VAL A 51 -14.981 -25.879 -9.195 1.00 0.90 N ATOM 752 CA VAL A 51 -15.037 -27.275 -9.618 1.00 0.92 C ATOM 753 C VAL A 51 -15.996 -27.432 -10.792 1.00 0.84 C ATOM 754 O VAL A 51 -15.703 -28.138 -11.758 1.00 0.85 O ATOM 755 CB VAL A 51 -15.477 -28.203 -8.464 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.336 -29.664 -8.863 1.00 1.17 C ATOM 757 CG2 VAL A 51 -14.669 -27.918 -7.207 1.00 1.46 C ATOM 0 H VAL A 51 -15.324 -25.712 -8.249 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.032 -27.565 -9.924 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.528 -28.004 -8.252 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -15.651 -30.299 -8.035 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -15.960 -29.865 -9.733 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -14.295 -29.876 -9.107 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -14.995 -28.582 -6.407 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -13.611 -28.085 -7.409 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -14.822 -26.882 -6.903 1.00 1.46 H new ATOM 767 N ALA A 52 -17.130 -26.744 -10.712 1.00 0.84 N ATOM 768 CA ALA A 52 -18.116 -26.759 -11.782 1.00 0.85 C ATOM 769 C ALA A 52 -17.515 -26.234 -13.080 1.00 0.77 C ATOM 770 O ALA A 52 -17.784 -26.763 -14.156 1.00 0.83 O ATOM 771 CB ALA A 52 -19.336 -25.940 -11.391 1.00 0.97 C ATOM 0 H ALA A 52 -17.388 -26.167 -9.912 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.427 -27.791 -11.944 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -20.064 -25.961 -12.202 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.784 -26.361 -10.491 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -19.036 -24.910 -11.200 1.00 0.97 H new ATOM 777 N ALA A 53 -16.692 -25.198 -12.968 1.00 0.72 N ATOM 778 CA ALA A 53 -16.021 -24.623 -14.129 1.00 0.74 C ATOM 779 C ALA A 53 -14.967 -25.585 -14.674 1.00 0.73 C ATOM 780 O ALA A 53 -14.744 -25.663 -15.885 1.00 0.93 O ATOM 781 CB ALA A 53 -15.389 -23.287 -13.766 1.00 0.82 C ATOM 0 H ALA A 53 -16.473 -24.738 -12.084 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.764 -24.455 -14.909 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.892 -22.870 -14.642 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -16.163 -22.599 -13.426 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.659 -23.434 -12.970 1.00 0.82 H new ATOM 787 N GLN A 54 -14.331 -26.321 -13.769 1.00 0.71 N ATOM 788 CA GLN A 54 -13.315 -27.300 -14.136 1.00 0.83 C ATOM 789 C GLN A 54 -13.915 -28.400 -15.007 1.00 0.88 C ATOM 790 O GLN A 54 -13.391 -28.706 -16.080 1.00 1.07 O ATOM 791 CB GLN A 54 -12.689 -27.910 -12.878 1.00 0.99 C ATOM 792 CG GLN A 54 -11.187 -27.704 -12.776 1.00 1.27 C ATOM 793 CD GLN A 54 -10.443 -28.994 -12.493 1.00 1.30 C ATOM 794 OE1 GLN A 54 -9.967 -29.660 -13.410 1.00 1.76 O ATOM 795 NE2 GLN A 54 -10.337 -29.355 -11.224 1.00 1.86 N ATOM 0 H GLN A 54 -14.504 -26.256 -12.766 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.539 -26.791 -14.708 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -13.166 -27.476 -11.999 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -12.901 -28.979 -12.860 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -10.819 -27.272 -13.707 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -10.975 -26.985 -11.985 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -10.746 -28.774 -10.493 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -9.846 -30.214 -10.978 1.00 1.86 H new ATOM 804 N VAL A 55 -15.019 -28.979 -14.544 1.00 0.88 N ATOM 805 CA VAL A 55 -15.690 -30.049 -15.279 1.00 0.98 C ATOM 806 C VAL A 55 -16.358 -29.513 -16.541 1.00 0.96 C ATOM 807 O VAL A 55 -16.370 -30.181 -17.577 1.00 1.10 O ATOM 808 CB VAL A 55 -16.761 -30.756 -14.416 1.00 1.13 C ATOM 809 CG1 VAL A 55 -17.165 -32.083 -15.041 1.00 1.82 C ATOM 810 CG2 VAL A 55 -16.263 -30.971 -12.997 1.00 1.36 C ATOM 0 H VAL A 55 -15.468 -28.726 -13.664 1.00 0.88 H new ATOM 0 HA VAL A 55 -14.918 -30.770 -15.548 1.00 0.98 H new ATOM 0 HB VAL A 55 -17.638 -30.110 -14.376 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -17.919 -32.564 -14.418 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -17.574 -31.907 -16.036 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -16.291 -32.730 -15.118 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -17.036 -31.470 -12.412 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -15.366 -31.590 -13.016 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -16.030 -30.008 -12.543 1.00 1.36 H new ATOM 820 N HIS A 56 -16.905 -28.301 -16.435 1.00 0.95 N ATOM 821 CA HIS A 56 -17.621 -27.660 -17.538 1.00 1.02 C ATOM 822 C HIS A 56 -16.812 -27.695 -18.825 1.00 0.97 C ATOM 823 O HIS A 56 -17.341 -28.018 -19.888 1.00 1.30 O ATOM 824 CB HIS A 56 -17.948 -26.209 -17.184 1.00 1.22 C ATOM 825 CG HIS A 56 -19.397 -25.863 -17.328 1.00 1.39 C ATOM 826 ND1 HIS A 56 -19.906 -25.202 -18.424 1.00 1.92 N ATOM 827 CD2 HIS A 56 -20.447 -26.074 -16.500 1.00 1.81 C ATOM 828 CE1 HIS A 56 -21.203 -25.019 -18.262 1.00 1.97 C ATOM 829 NE2 HIS A 56 -21.558 -25.538 -17.102 1.00 1.97 N ATOM 0 H HIS A 56 -16.864 -27.738 -15.585 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.544 -28.218 -17.697 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -17.639 -26.017 -16.157 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -17.361 -25.548 -17.822 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -20.416 -26.572 -15.542 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -21.863 -24.527 -18.961 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -22.502 -25.540 -16.716 1.00 1.97 H new ATOM 838 N ARG A 57 -15.533 -27.361 -18.726 1.00 0.98 N ATOM 839 CA ARG A 57 -14.668 -27.337 -19.893 1.00 1.19 C ATOM 840 C ARG A 57 -14.058 -28.714 -20.152 1.00 1.33 C ATOM 841 O ARG A 57 -14.726 -29.613 -20.664 1.00 2.17 O ATOM 842 CB ARG A 57 -13.565 -26.289 -19.724 1.00 1.33 C ATOM 843 CG ARG A 57 -13.701 -25.105 -20.668 1.00 1.79 C ATOM 844 CD ARG A 57 -12.882 -25.300 -21.934 1.00 1.88 C ATOM 845 NE ARG A 57 -12.210 -24.067 -22.344 1.00 2.28 N ATOM 846 CZ ARG A 57 -11.766 -23.826 -23.576 1.00 2.79 C ATOM 847 NH1 ARG A 57 -11.905 -24.730 -24.538 1.00 3.10 N ATOM 848 NH2 ARG A 57 -11.187 -22.662 -23.846 1.00 3.57 N ATOM 0 H ARG A 57 -15.074 -27.104 -17.852 1.00 0.98 H new ATOM 0 HA ARG A 57 -15.276 -27.067 -20.756 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -13.574 -25.926 -18.696 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -12.597 -26.763 -19.886 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -14.750 -24.967 -20.930 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -13.377 -24.196 -20.161 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -12.139 -26.081 -21.769 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -13.533 -25.644 -22.738 1.00 1.88 H new ATOM 0 HE ARG A 57 -12.072 -23.343 -21.639 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -12.357 -25.622 -24.338 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -11.560 -24.532 -25.477 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -11.085 -21.961 -23.112 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -10.844 -22.469 -24.787 1.00 3.57 H new ATOM 862 N GLU A 58 -12.785 -28.875 -19.804 1.00 1.21 N ATOM 863 CA GLU A 58 -12.069 -30.115 -20.082 1.00 1.40 C ATOM 864 C GLU A 58 -11.157 -30.497 -18.923 1.00 1.22 C ATOM 865 O GLU A 58 -10.062 -31.021 -19.146 1.00 1.68 O ATOM 866 CB GLU A 58 -11.221 -29.980 -21.352 1.00 1.88 C ATOM 867 CG GLU A 58 -11.784 -29.029 -22.394 1.00 2.68 C ATOM 868 CD GLU A 58 -12.145 -29.738 -23.676 1.00 3.16 C ATOM 869 OE1 GLU A 58 -11.406 -30.656 -24.082 1.00 3.53 O ATOM 870 OE2 GLU A 58 -13.172 -29.378 -24.288 1.00 3.64 O ATOM 0 H GLU A 58 -12.229 -28.163 -19.330 1.00 1.21 H new ATOM 0 HA GLU A 58 -12.818 -30.894 -20.221 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -10.224 -29.641 -21.072 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -11.108 -30.966 -21.803 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -12.669 -28.535 -21.992 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -11.052 -28.250 -22.605 1.00 2.68 H new ATOM 877 N TYR A 59 -11.605 -30.236 -17.696 1.00 1.26 N ATOM 878 CA TYR A 59 -10.803 -30.509 -16.502 1.00 1.40 C ATOM 879 C TYR A 59 -9.427 -29.856 -16.625 1.00 1.33 C ATOM 880 O TYR A 59 -8.401 -30.534 -16.685 1.00 1.82 O ATOM 881 CB TYR A 59 -10.662 -32.018 -16.283 1.00 1.93 C ATOM 882 CG TYR A 59 -11.725 -32.599 -15.378 1.00 2.42 C ATOM 883 CD1 TYR A 59 -12.040 -31.994 -14.170 1.00 2.98 C ATOM 884 CD2 TYR A 59 -12.417 -33.748 -15.737 1.00 2.85 C ATOM 885 CE1 TYR A 59 -13.013 -32.519 -13.342 1.00 3.65 C ATOM 886 CE2 TYR A 59 -13.395 -34.277 -14.918 1.00 3.50 C ATOM 887 CZ TYR A 59 -13.668 -33.672 -13.707 1.00 3.80 C ATOM 888 OH TYR A 59 -14.667 -34.181 -12.904 1.00 4.58 O ATOM 0 H TYR A 59 -12.522 -29.834 -17.501 1.00 1.26 H new ATOM 0 HA TYR A 59 -11.313 -30.083 -15.638 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -10.703 -32.522 -17.248 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.680 -32.225 -15.857 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -11.516 -31.098 -13.872 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -12.187 -34.236 -16.672 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -13.258 -32.027 -12.413 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -13.942 -35.157 -15.222 1.00 3.50 H new ATOM 0 HH TYR A 59 -15.027 -34.998 -13.308 1.00 4.58 H new ATOM 898 N GLN A 60 -9.423 -28.530 -16.670 1.00 1.24 N ATOM 899 CA GLN A 60 -8.198 -27.771 -16.910 1.00 1.28 C ATOM 900 C GLN A 60 -7.236 -27.865 -15.735 1.00 1.38 C ATOM 901 O GLN A 60 -6.026 -27.941 -15.933 1.00 1.94 O ATOM 902 CB GLN A 60 -8.527 -26.303 -17.183 1.00 1.68 C ATOM 903 CG GLN A 60 -9.679 -26.106 -18.158 1.00 1.83 C ATOM 904 CD GLN A 60 -10.710 -25.105 -17.661 1.00 2.07 C ATOM 905 OE1 GLN A 60 -11.253 -24.325 -18.438 1.00 2.80 O ATOM 906 NE2 GLN A 60 -10.989 -25.123 -16.365 1.00 2.27 N ATOM 0 H GLN A 60 -10.256 -27.955 -16.543 1.00 1.24 H new ATOM 0 HA GLN A 60 -7.713 -28.207 -17.783 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -8.772 -25.813 -16.241 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -7.640 -25.808 -17.578 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -9.284 -25.768 -19.116 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -10.167 -27.065 -18.335 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -10.517 -25.786 -15.751 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -11.676 -24.474 -15.982 1.00 2.27 H new ATOM 915 N VAL A 61 -7.788 -27.854 -14.519 1.00 1.49 N ATOM 916 CA VAL A 61 -6.999 -27.834 -13.278 1.00 1.90 C ATOM 917 C VAL A 61 -6.310 -26.478 -13.088 1.00 2.03 C ATOM 918 O VAL A 61 -6.406 -25.865 -12.022 1.00 2.77 O ATOM 919 CB VAL A 61 -5.945 -28.968 -13.226 1.00 2.42 C ATOM 920 CG1 VAL A 61 -5.216 -28.964 -11.891 1.00 3.13 C ATOM 921 CG2 VAL A 61 -6.595 -30.322 -13.467 1.00 2.70 C ATOM 0 H VAL A 61 -8.796 -27.859 -14.364 1.00 1.49 H new ATOM 0 HA VAL A 61 -7.704 -27.999 -12.463 1.00 1.90 H new ATOM 0 HB VAL A 61 -5.219 -28.788 -14.019 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -4.480 -29.768 -11.876 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -4.711 -28.008 -11.755 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -5.934 -29.113 -11.084 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -5.835 -31.103 -13.426 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -7.347 -30.506 -12.700 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -7.069 -30.328 -14.448 1.00 2.70 H new ATOM 931 N GLU A 62 -5.627 -26.022 -14.128 1.00 1.77 N ATOM 932 CA GLU A 62 -4.946 -24.738 -14.110 1.00 2.15 C ATOM 933 C GLU A 62 -5.924 -23.593 -14.383 1.00 1.95 C ATOM 934 O GLU A 62 -6.999 -23.521 -13.782 1.00 2.59 O ATOM 935 CB GLU A 62 -3.820 -24.732 -15.154 1.00 2.85 C ATOM 936 CG GLU A 62 -2.503 -24.190 -14.628 1.00 3.27 C ATOM 937 CD GLU A 62 -2.321 -24.449 -13.150 1.00 4.00 C ATOM 938 OE1 GLU A 62 -1.965 -25.586 -12.781 1.00 4.56 O ATOM 939 OE2 GLU A 62 -2.546 -23.521 -12.348 1.00 4.41 O ATOM 0 H GLU A 62 -5.530 -26.532 -15.006 1.00 1.77 H new ATOM 0 HA GLU A 62 -4.520 -24.588 -13.118 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -3.666 -25.749 -15.515 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -4.133 -24.134 -16.010 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -1.680 -24.647 -15.178 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -2.455 -23.117 -14.815 1.00 3.27 H new ATOM 946 N LEU A 63 -5.553 -22.703 -15.294 1.00 1.62 N ATOM 947 CA LEU A 63 -6.374 -21.547 -15.607 1.00 1.78 C ATOM 948 C LEU A 63 -7.627 -21.962 -16.382 1.00 1.53 C ATOM 949 O LEU A 63 -7.559 -22.743 -17.334 1.00 1.50 O ATOM 950 CB LEU A 63 -5.560 -20.507 -16.390 1.00 2.34 C ATOM 951 CG LEU A 63 -5.312 -20.831 -17.864 1.00 2.46 C ATOM 952 CD1 LEU A 63 -5.490 -19.583 -18.713 1.00 2.93 C ATOM 953 CD2 LEU A 63 -3.925 -21.428 -18.061 1.00 3.01 C ATOM 0 H LEU A 63 -4.686 -22.762 -15.829 1.00 1.62 H new ATOM 0 HA LEU A 63 -6.698 -21.091 -14.671 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -6.076 -19.549 -16.330 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -4.596 -20.382 -15.897 1.00 2.34 H new ATOM 0 HG LEU A 63 -6.043 -21.573 -18.183 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -5.311 -19.827 -19.760 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -6.506 -19.206 -18.597 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -4.781 -18.820 -18.392 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -3.771 -21.650 -19.117 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -3.171 -20.715 -17.727 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -3.838 -22.346 -17.480 1.00 3.01 H new ATOM 965 N PRO A 64 -8.793 -21.462 -15.953 1.00 1.52 N ATOM 966 CA PRO A 64 -10.078 -21.743 -16.595 1.00 1.44 C ATOM 967 C PRO A 64 -10.278 -20.909 -17.861 1.00 1.43 C ATOM 968 O PRO A 64 -11.113 -19.995 -17.895 1.00 1.89 O ATOM 969 CB PRO A 64 -11.109 -21.359 -15.518 1.00 1.66 C ATOM 970 CG PRO A 64 -10.320 -20.991 -14.301 1.00 1.91 C ATOM 971 CD PRO A 64 -8.962 -20.593 -14.790 1.00 1.79 C ATOM 0 HA PRO A 64 -10.159 -22.780 -16.921 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -11.726 -20.524 -15.849 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -11.783 -22.190 -15.309 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -10.795 -20.172 -13.762 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -10.254 -21.832 -13.610 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -8.918 -19.538 -15.059 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -8.191 -20.763 -14.038 1.00 1.79 H new ATOM 979 N LEU A 65 -9.500 -21.232 -18.890 1.00 1.22 N ATOM 980 CA LEU A 65 -9.515 -20.495 -20.149 1.00 1.24 C ATOM 981 C LEU A 65 -10.890 -20.524 -20.806 1.00 1.19 C ATOM 982 O LEU A 65 -11.392 -21.588 -21.172 1.00 1.82 O ATOM 983 CB LEU A 65 -8.473 -21.062 -21.124 1.00 1.39 C ATOM 984 CG LEU A 65 -7.722 -22.312 -20.652 1.00 1.86 C ATOM 985 CD1 LEU A 65 -8.463 -23.577 -21.068 1.00 2.46 C ATOM 986 CD2 LEU A 65 -6.304 -22.317 -21.206 1.00 2.34 C ATOM 0 H LEU A 65 -8.842 -22.011 -18.874 1.00 1.22 H new ATOM 0 HA LEU A 65 -9.268 -19.460 -19.914 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -8.973 -21.296 -22.064 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -7.742 -20.282 -21.338 1.00 1.39 H new ATOM 0 HG LEU A 65 -7.670 -22.291 -19.563 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -7.912 -24.452 -20.723 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -9.459 -23.577 -20.625 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -8.549 -23.608 -22.154 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -5.782 -23.210 -20.863 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -6.339 -22.313 -22.295 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -5.774 -21.431 -20.857 1.00 2.34 H new ATOM 998 N LYS A 66 -11.481 -19.340 -20.951 1.00 0.89 N ATOM 999 CA LYS A 66 -12.768 -19.169 -21.625 1.00 0.89 C ATOM 1000 C LYS A 66 -13.848 -20.086 -21.050 1.00 0.88 C ATOM 1001 O LYS A 66 -14.521 -20.805 -21.788 1.00 1.21 O ATOM 1002 CB LYS A 66 -12.617 -19.414 -23.130 1.00 1.03 C ATOM 1003 CG LYS A 66 -13.580 -18.602 -23.983 1.00 1.47 C ATOM 1004 CD LYS A 66 -13.322 -17.108 -23.857 1.00 1.62 C ATOM 1005 CE LYS A 66 -12.659 -16.549 -25.106 1.00 1.99 C ATOM 1006 NZ LYS A 66 -11.215 -16.264 -24.894 1.00 2.42 N ATOM 0 H LYS A 66 -11.080 -18.469 -20.604 1.00 0.89 H new ATOM 0 HA LYS A 66 -13.087 -18.141 -21.454 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -11.595 -19.177 -23.427 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -12.771 -20.474 -23.334 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -13.483 -18.901 -25.027 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -14.605 -18.821 -23.683 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -14.264 -16.589 -23.681 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -12.687 -16.919 -22.991 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -12.771 -17.260 -25.924 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -13.168 -15.634 -25.407 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -10.800 -15.901 -25.776 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -11.108 -15.553 -24.142 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -10.726 -17.138 -24.616 1.00 2.42 H new ATOM 1020 N VAL A 67 -14.003 -20.075 -19.736 1.00 0.96 N ATOM 1021 CA VAL A 67 -15.096 -20.806 -19.115 1.00 1.08 C ATOM 1022 C VAL A 67 -15.908 -19.896 -18.195 1.00 1.15 C ATOM 1023 O VAL A 67 -17.129 -20.030 -18.119 1.00 1.70 O ATOM 1024 CB VAL A 67 -14.605 -22.067 -18.357 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -14.102 -21.733 -16.960 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -15.711 -23.109 -18.285 1.00 2.11 C ATOM 0 H VAL A 67 -13.396 -19.576 -19.086 1.00 0.96 H new ATOM 0 HA VAL A 67 -15.746 -21.152 -19.919 1.00 1.08 H new ATOM 0 HB VAL A 67 -13.765 -22.476 -18.918 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -13.768 -22.645 -16.466 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -13.269 -21.033 -17.031 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -14.908 -21.281 -16.382 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -15.349 -23.987 -17.750 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -16.570 -22.692 -17.759 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -16.007 -23.396 -19.294 1.00 2.11 H new ATOM 1036 N LEU A 68 -15.225 -18.963 -17.521 1.00 1.00 N ATOM 1037 CA LEU A 68 -15.880 -18.001 -16.632 1.00 1.15 C ATOM 1038 C LEU A 68 -14.850 -17.109 -15.947 1.00 1.14 C ATOM 1039 O LEU A 68 -14.911 -15.889 -16.050 1.00 1.53 O ATOM 1040 CB LEU A 68 -16.725 -18.712 -15.564 1.00 1.35 C ATOM 1041 CG LEU A 68 -18.238 -18.498 -15.681 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.984 -19.510 -14.826 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -18.608 -17.078 -15.275 1.00 2.02 C ATOM 0 H LEU A 68 -14.212 -18.855 -17.576 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.537 -17.387 -17.248 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -16.520 -19.781 -15.614 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -16.401 -18.371 -14.581 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.529 -18.644 -16.721 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -20.057 -19.345 -14.920 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -18.741 -20.518 -15.161 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -18.689 -19.393 -13.783 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -19.686 -16.943 -15.364 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -18.305 -16.904 -14.243 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -18.099 -16.369 -15.927 1.00 2.02 H new ATOM 1055 N PHE A 69 -13.896 -17.732 -15.262 1.00 1.04 N ATOM 1056 CA PHE A 69 -12.936 -16.997 -14.437 1.00 1.16 C ATOM 1057 C PHE A 69 -11.912 -16.236 -15.280 1.00 1.15 C ATOM 1058 O PHE A 69 -11.712 -15.039 -15.091 1.00 1.87 O ATOM 1059 CB PHE A 69 -12.222 -17.953 -13.478 1.00 1.30 C ATOM 1060 CG PHE A 69 -13.150 -18.686 -12.551 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -14.243 -18.046 -11.986 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -12.927 -20.018 -12.243 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -15.094 -18.723 -11.133 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -13.774 -20.699 -11.393 1.00 1.81 C ATOM 1065 CZ PHE A 69 -14.859 -20.051 -10.836 1.00 1.60 C ATOM 0 H PHE A 69 -13.765 -18.744 -15.260 1.00 1.04 H new ATOM 0 HA PHE A 69 -13.499 -16.260 -13.864 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -11.655 -18.680 -14.059 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -11.502 -17.388 -12.885 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -14.431 -17.007 -12.215 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -12.079 -20.530 -12.674 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -15.942 -18.214 -10.699 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -13.589 -21.738 -11.163 1.00 1.81 H new ATOM 0 HZ PHE A 69 -15.522 -20.582 -10.169 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.266 -16.930 -16.212 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.221 -16.320 -17.030 1.00 0.94 C ATOM 1077 C ALA A 70 -10.811 -15.529 -18.195 1.00 0.91 C ATOM 1078 O ALA A 70 -10.497 -15.786 -19.358 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.255 -17.386 -17.528 1.00 1.03 C ATOM 0 H ALA A 70 -11.446 -17.912 -16.420 1.00 0.92 H new ATOM 0 HA ALA A 70 -9.671 -15.615 -16.407 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -8.480 -16.919 -18.137 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -8.795 -17.886 -16.676 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -9.797 -18.116 -18.128 1.00 1.03 H new ATOM 1085 N GLN A 71 -11.676 -14.578 -17.862 1.00 1.05 N ATOM 1086 CA GLN A 71 -12.288 -13.685 -18.837 1.00 1.14 C ATOM 1087 C GLN A 71 -13.217 -12.709 -18.125 1.00 1.04 C ATOM 1088 O GLN A 71 -14.360 -13.048 -17.818 1.00 1.19 O ATOM 1089 CB GLN A 71 -13.072 -14.466 -19.899 1.00 1.43 C ATOM 1090 CG GLN A 71 -13.086 -13.792 -21.262 1.00 1.89 C ATOM 1091 CD GLN A 71 -11.733 -13.817 -21.948 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -11.337 -14.827 -22.531 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -11.019 -12.704 -21.894 1.00 3.23 N ATOM 0 H GLN A 71 -11.974 -14.404 -16.902 1.00 1.05 H new ATOM 0 HA GLN A 71 -11.492 -13.138 -19.342 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -12.639 -15.461 -19.999 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -14.099 -14.598 -19.557 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -13.819 -14.287 -21.899 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -13.410 -12.758 -21.147 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -11.382 -11.888 -21.401 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -10.105 -12.662 -22.345 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.732 -11.488 -17.843 1.00 1.11 N ATOM 1103 CA PRO A 72 -13.503 -10.458 -17.130 1.00 1.26 C ATOM 1104 C PRO A 72 -14.625 -9.863 -17.984 1.00 1.21 C ATOM 1105 O PRO A 72 -14.701 -8.654 -18.184 1.00 1.62 O ATOM 1106 CB PRO A 72 -12.459 -9.380 -16.794 1.00 1.60 C ATOM 1107 CG PRO A 72 -11.131 -9.984 -17.121 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.390 -11.009 -18.184 1.00 1.38 C ATOM 0 HA PRO A 72 -14.002 -10.872 -16.254 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.631 -8.474 -17.376 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -12.512 -9.098 -15.742 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -10.434 -9.224 -17.474 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.683 -10.442 -16.239 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.356 -10.575 -19.183 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.654 -11.813 -18.160 1.00 1.38 H new ATOM 1116 N THR A 73 -15.472 -10.733 -18.506 1.00 1.29 N ATOM 1117 CA THR A 73 -16.637 -10.338 -19.285 1.00 1.40 C ATOM 1118 C THR A 73 -17.722 -11.393 -19.120 1.00 1.25 C ATOM 1119 O THR A 73 -18.171 -12.007 -20.092 1.00 1.55 O ATOM 1120 CB THR A 73 -16.302 -10.188 -20.785 1.00 1.86 C ATOM 1121 OG1 THR A 73 -14.880 -10.168 -20.974 1.00 2.46 O ATOM 1122 CG2 THR A 73 -16.912 -8.918 -21.356 1.00 2.01 C ATOM 0 H THR A 73 -15.371 -11.743 -18.401 1.00 1.29 H new ATOM 0 HA THR A 73 -16.977 -9.369 -18.919 1.00 1.40 H new ATOM 0 HB THR A 73 -16.726 -11.043 -21.312 1.00 1.86 H new ATOM 0 HG1 THR A 73 -14.678 -10.074 -21.928 1.00 2.46 H new ATOM 0 HG21 THR A 73 -16.661 -8.837 -22.414 1.00 2.01 H new ATOM 0 HG22 THR A 73 -17.996 -8.952 -21.242 1.00 2.01 H new ATOM 0 HG23 THR A 73 -16.518 -8.053 -20.822 1.00 2.01 H new ATOM 1130 N ILE A 74 -18.139 -11.595 -17.876 1.00 1.12 N ATOM 1131 CA ILE A 74 -19.012 -12.709 -17.525 1.00 1.13 C ATOM 1132 C ILE A 74 -20.384 -12.605 -18.186 1.00 1.08 C ATOM 1133 O ILE A 74 -21.074 -13.608 -18.333 1.00 1.12 O ATOM 1134 CB ILE A 74 -19.178 -12.847 -15.996 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -19.537 -11.502 -15.361 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -17.898 -13.401 -15.382 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -20.009 -11.617 -13.926 1.00 2.08 C ATOM 0 H ILE A 74 -17.885 -10.998 -17.089 1.00 1.12 H new ATOM 0 HA ILE A 74 -18.521 -13.604 -17.906 1.00 1.13 H new ATOM 0 HB ILE A 74 -19.995 -13.541 -15.798 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -18.666 -10.848 -15.397 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -20.317 -11.026 -15.955 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -18.023 -13.495 -14.303 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -17.684 -14.380 -15.810 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -17.070 -12.724 -15.593 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -20.246 -10.625 -13.540 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -20.899 -12.244 -13.885 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -19.222 -12.064 -13.319 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.775 -11.401 -18.593 1.00 1.07 N ATOM 1150 CA LYS A 75 -22.026 -11.226 -19.330 1.00 1.12 C ATOM 1151 C LYS A 75 -21.983 -12.001 -20.652 1.00 1.02 C ATOM 1152 O LYS A 75 -22.964 -12.643 -21.048 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.303 -9.739 -19.595 1.00 1.25 C ATOM 1154 CG LYS A 75 -21.133 -8.988 -20.216 1.00 1.80 C ATOM 1155 CD LYS A 75 -21.523 -8.315 -21.523 1.00 2.44 C ATOM 1156 CE LYS A 75 -20.542 -8.655 -22.633 1.00 3.14 C ATOM 1157 NZ LYS A 75 -20.438 -7.567 -23.640 1.00 3.80 N ATOM 0 H LYS A 75 -20.252 -10.541 -18.429 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.837 -11.622 -18.718 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -23.166 -9.654 -20.255 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -22.571 -9.258 -18.655 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -20.770 -8.237 -19.515 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -20.311 -9.681 -20.395 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -22.526 -8.630 -21.812 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -21.556 -7.235 -21.382 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -19.559 -8.845 -22.202 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -20.857 -9.575 -23.125 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -19.759 -7.841 -24.378 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -21.370 -7.403 -24.071 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -20.112 -6.695 -23.176 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.825 -11.974 -21.304 1.00 0.97 N ATOM 1172 CA ALA A 76 -20.657 -12.623 -22.595 1.00 0.98 C ATOM 1173 C ALA A 76 -20.673 -14.134 -22.441 1.00 0.91 C ATOM 1174 O ALA A 76 -21.259 -14.847 -23.251 1.00 0.97 O ATOM 1175 CB ALA A 76 -19.362 -12.170 -23.253 1.00 1.08 C ATOM 0 H ALA A 76 -19.987 -11.507 -20.956 1.00 0.97 H new ATOM 0 HA ALA A 76 -21.491 -12.334 -23.235 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -19.252 -12.665 -24.218 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -19.387 -11.090 -23.400 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -18.519 -12.430 -22.613 1.00 1.08 H new ATOM 1181 N LEU A 77 -20.042 -14.622 -21.384 1.00 0.91 N ATOM 1182 CA LEU A 77 -20.007 -16.053 -21.127 1.00 0.97 C ATOM 1183 C LEU A 77 -21.371 -16.542 -20.648 1.00 1.04 C ATOM 1184 O LEU A 77 -21.726 -17.703 -20.843 1.00 1.11 O ATOM 1185 CB LEU A 77 -18.917 -16.388 -20.104 1.00 1.15 C ATOM 1186 CG LEU A 77 -17.489 -16.250 -20.633 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -16.512 -16.062 -19.488 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -17.108 -17.466 -21.464 1.00 1.94 C ATOM 0 H LEU A 77 -19.551 -14.053 -20.695 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.768 -16.567 -22.058 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -19.035 -15.736 -19.239 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -19.065 -17.410 -19.755 1.00 1.15 H new ATOM 0 HG LEU A 77 -17.444 -15.368 -21.272 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -15.501 -15.966 -19.884 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -16.771 -15.161 -18.933 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -16.560 -16.924 -18.823 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -16.089 -17.350 -21.832 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -17.171 -18.363 -20.847 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.791 -17.558 -22.309 1.00 1.94 H new ATOM 1200 N ALA A 78 -22.142 -15.634 -20.059 1.00 1.13 N ATOM 1201 CA ALA A 78 -23.481 -15.950 -19.580 1.00 1.34 C ATOM 1202 C ALA A 78 -24.427 -16.248 -20.736 1.00 1.34 C ATOM 1203 O ALA A 78 -25.459 -16.893 -20.555 1.00 1.53 O ATOM 1204 CB ALA A 78 -24.022 -14.809 -18.732 1.00 1.57 C ATOM 0 H ALA A 78 -21.859 -14.667 -19.902 1.00 1.13 H new ATOM 0 HA ALA A 78 -23.414 -16.847 -18.964 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -25.023 -15.059 -18.381 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -23.367 -14.650 -17.876 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -24.064 -13.899 -19.331 1.00 1.57 H new ATOM 1210 N GLN A 79 -24.088 -15.774 -21.927 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.892 -16.087 -23.101 1.00 1.42 C ATOM 1212 C GLN A 79 -24.203 -17.135 -23.975 1.00 1.44 C ATOM 1213 O GLN A 79 -24.855 -18.042 -24.495 1.00 1.79 O ATOM 1214 CB GLN A 79 -25.200 -14.829 -23.919 1.00 1.53 C ATOM 1215 CG GLN A 79 -24.054 -13.837 -23.990 1.00 1.65 C ATOM 1216 CD GLN A 79 -24.515 -12.438 -24.348 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -24.435 -11.516 -23.536 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -24.990 -12.264 -25.570 1.00 2.74 N ATOM 0 H GLN A 79 -23.277 -15.182 -22.105 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.837 -16.500 -22.747 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -25.472 -15.126 -24.932 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -26.069 -14.333 -23.488 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -23.540 -13.811 -23.029 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -23.329 -14.177 -24.730 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -25.041 -13.053 -26.215 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -25.306 -11.341 -25.868 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.888 -17.021 -24.115 1.00 1.23 N ATOM 1228 CA TYR A 80 -22.132 -17.907 -24.996 1.00 1.38 C ATOM 1229 C TYR A 80 -21.893 -19.277 -24.362 1.00 1.39 C ATOM 1230 O TYR A 80 -22.408 -20.284 -24.840 1.00 1.59 O ATOM 1231 CB TYR A 80 -20.793 -17.270 -25.373 1.00 1.43 C ATOM 1232 CG TYR A 80 -20.908 -16.161 -26.396 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -21.741 -16.288 -27.501 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -20.181 -14.985 -26.255 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -21.848 -15.275 -28.434 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -20.282 -13.967 -27.184 1.00 2.18 C ATOM 1237 CZ TYR A 80 -21.115 -14.116 -28.272 1.00 2.42 C ATOM 1238 OH TYR A 80 -21.221 -13.101 -29.200 1.00 2.85 O ATOM 0 H TYR A 80 -22.322 -16.324 -23.631 1.00 1.23 H new ATOM 0 HA TYR A 80 -22.731 -18.055 -25.895 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -20.324 -16.873 -24.472 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -20.131 -18.043 -25.763 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -22.314 -17.194 -27.633 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -19.526 -14.865 -25.405 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -22.502 -15.389 -29.286 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -19.711 -13.059 -27.058 1.00 2.18 H new ATOM 0 HH TYR A 80 -20.641 -12.356 -28.938 1.00 2.85 H new ATOM 1248 N VAL A 81 -21.122 -19.309 -23.281 1.00 1.29 N ATOM 1249 CA VAL A 81 -20.722 -20.570 -22.663 1.00 1.39 C ATOM 1250 C VAL A 81 -21.889 -21.230 -21.925 1.00 1.35 C ATOM 1251 O VAL A 81 -21.928 -22.452 -21.764 1.00 1.49 O ATOM 1252 CB VAL A 81 -19.515 -20.370 -21.706 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -19.932 -20.359 -20.238 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.464 -21.440 -21.952 1.00 1.72 C ATOM 0 H VAL A 81 -20.761 -18.477 -22.814 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.413 -21.238 -23.467 1.00 1.39 H new ATOM 0 HB VAL A 81 -19.089 -19.391 -21.924 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -19.052 -20.216 -19.611 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -20.636 -19.545 -20.066 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -20.406 -21.308 -19.987 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -17.624 -21.287 -21.274 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -18.898 -22.424 -21.776 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.115 -21.377 -22.983 1.00 1.72 H new ATOM 1264 N ALA A 82 -22.854 -20.422 -21.506 1.00 1.42 N ATOM 1265 CA ALA A 82 -24.005 -20.926 -20.771 1.00 1.52 C ATOM 1266 C ALA A 82 -25.129 -21.349 -21.714 1.00 1.59 C ATOM 1267 O ALA A 82 -26.308 -21.220 -21.385 1.00 1.90 O ATOM 1268 CB ALA A 82 -24.500 -19.878 -19.789 1.00 1.66 C ATOM 0 H ALA A 82 -22.862 -19.414 -21.663 1.00 1.42 H new ATOM 0 HA ALA A 82 -23.689 -21.810 -20.217 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -25.361 -20.267 -19.245 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -23.705 -19.636 -19.084 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -24.790 -18.979 -20.332 1.00 1.66 H new ATOM 1274 N THR A 83 -24.754 -21.865 -22.881 1.00 1.64 N ATOM 1275 CA THR A 83 -25.716 -22.344 -23.867 1.00 1.83 C ATOM 1276 C THR A 83 -26.469 -23.560 -23.339 1.00 2.01 C ATOM 1277 O THR A 83 -27.607 -23.826 -23.728 1.00 2.41 O ATOM 1278 CB THR A 83 -25.002 -22.717 -25.174 1.00 2.14 C ATOM 1279 OG1 THR A 83 -23.582 -22.714 -24.962 1.00 2.59 O ATOM 1280 CG2 THR A 83 -25.356 -21.740 -26.282 1.00 2.65 C ATOM 0 H THR A 83 -23.780 -21.962 -23.168 1.00 1.64 H new ATOM 0 HA THR A 83 -26.427 -21.541 -24.060 1.00 1.83 H new ATOM 0 HB THR A 83 -25.328 -23.712 -25.476 1.00 2.14 H new ATOM 0 HG1 THR A 83 -23.260 -21.790 -24.919 1.00 2.59 H new ATOM 0 HG21 THR A 83 -24.838 -22.025 -27.198 1.00 2.65 H new ATOM 0 HG22 THR A 83 -26.432 -21.758 -26.453 1.00 2.65 H new ATOM 0 HG23 THR A 83 -25.052 -20.734 -25.991 1.00 2.65 H new ATOM 1288 N ARG A 84 -25.808 -24.298 -22.457 1.00 2.19 N ATOM 1289 CA ARG A 84 -26.414 -25.429 -21.776 1.00 2.75 C ATOM 1290 C ARG A 84 -26.440 -25.155 -20.278 1.00 3.36 C ATOM 1291 O ARG A 84 -25.709 -25.778 -19.504 1.00 4.13 O ATOM 1292 CB ARG A 84 -25.635 -26.715 -22.066 1.00 3.41 C ATOM 1293 CG ARG A 84 -25.618 -27.107 -23.535 1.00 3.80 C ATOM 1294 CD ARG A 84 -26.912 -27.788 -23.954 1.00 4.57 C ATOM 1295 NE ARG A 84 -27.274 -28.881 -23.054 1.00 5.32 N ATOM 1296 CZ ARG A 84 -27.648 -30.092 -23.461 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -27.679 -30.385 -24.753 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -27.973 -31.012 -22.565 1.00 7.09 N ATOM 0 H ARG A 84 -24.837 -24.128 -22.195 1.00 2.19 H new ATOM 0 HA ARG A 84 -27.433 -25.562 -22.141 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -24.608 -26.592 -21.721 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -26.070 -27.530 -21.488 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -25.461 -26.218 -24.146 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -24.778 -27.776 -23.723 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -27.717 -27.054 -23.974 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -26.806 -28.174 -24.968 1.00 4.57 H new ATOM 0 HE ARG A 84 -27.238 -28.705 -22.050 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -27.415 -29.681 -25.442 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -27.966 -31.315 -25.058 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -27.936 -30.790 -21.570 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -28.260 -31.942 -22.870 1.00 7.09 H new ATOM 1312 N SER A 85 -27.269 -24.196 -19.884 1.00 3.58 N ATOM 1313 CA SER A 85 -27.343 -23.759 -18.498 1.00 4.69 C ATOM 1314 C SER A 85 -27.939 -24.849 -17.612 1.00 5.43 C ATOM 1315 O SER A 85 -28.846 -25.565 -18.077 1.00 5.80 O ATOM 1316 CB SER A 85 -28.178 -22.480 -18.400 1.00 5.10 C ATOM 1317 OG SER A 85 -28.366 -21.892 -19.680 1.00 4.66 O ATOM 1318 OXT SER A 85 -27.478 -24.999 -16.460 1.00 5.98 O ATOM 0 H SER A 85 -27.904 -23.703 -20.512 1.00 3.58 H new ATOM 0 HA SER A 85 -26.332 -23.555 -18.146 1.00 4.69 H new ATOM 0 HB2 SER A 85 -29.147 -22.708 -17.955 1.00 5.10 H new ATOM 0 HB3 SER A 85 -27.683 -21.769 -17.739 1.00 5.10 H new ATOM 0 HG SER A 85 -27.494 -21.727 -20.095 1.00 4.66 H new TER 1324 SER A 85