USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 799 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 53 ASN : amide:sc= 1.05 K(o=3.4,f=-13!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -148:sc= 2.38 (180deg=-0.466) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.44 (180deg=1.03) USER MOD Single : A 2 SER OG : rot 69:sc= 1.04 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.123 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 177:sc= 0.0561 USER MOD Single : A 24 THR OG1 : rot -150:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.15) USER MOD Single : A 32 GLN : amide:sc=-0.00055 X(o=-0.00055,f=0) USER MOD Single : A 33 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 SER OG : rot -25:sc= 0.647 USER MOD Single : A 37 SER OG : rot -60:sc= 0.794 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -131:sc= -0.0225 (180deg=-0.788) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.48) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 56 SER OG : rot -134:sc= 0.52 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 139:sc= 1.24 (180deg=0.956) USER MOD Single : A 69 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.019) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -120:sc= 0 USER MOD Single : A 81 SER OG : rot -149:sc= 0.0289 USER MOD Single : A 83 THR OG1 : rot 132:sc= 0.239 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -176:sc= 1.26 USER MOD Single : A 87 MET CE :methyl 168:sc= 0 (180deg=-0.141) USER MOD Single : A 92 ASN : amide:sc= 0.569 X(o=0.57,f=0.31) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= -0.022 (180deg=-0.239) USER MOD Single : A 104 GLN : amide:sc= -0.355 X(o=-0.36,f=-0.39) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.316 0.481 1.628 1.00 5.17 N ATOM 2 CA MET A 1 -16.694 1.885 1.859 1.00 3.53 C ATOM 3 C MET A 1 -15.642 2.467 2.791 1.00 2.63 C ATOM 4 O MET A 1 -15.275 1.761 3.725 1.00 3.28 O ATOM 5 CB MET A 1 -18.090 1.992 2.490 1.00 4.37 C ATOM 6 CG MET A 1 -19.214 1.698 1.484 1.00 5.27 C ATOM 7 SD MET A 1 -19.214 0.038 0.753 1.00 6.35 S ATOM 8 CE MET A 1 -19.404 0.459 -0.994 1.00 7.37 C ATOM 0 H1 MET A 1 -17.148 -0.055 1.309 1.00 5.17 H new ATOM 0 H2 MET A 1 -15.575 0.436 0.899 1.00 5.17 H new ATOM 0 H3 MET A 1 -15.957 0.068 2.512 1.00 5.17 H new ATOM 0 HA MET A 1 -16.737 2.430 0.916 1.00 3.53 H new ATOM 0 HB2 MET A 1 -18.162 1.295 3.325 1.00 4.37 H new ATOM 0 HB3 MET A 1 -18.225 2.994 2.898 1.00 4.37 H new ATOM 0 HG2 MET A 1 -20.171 1.854 1.983 1.00 5.27 H new ATOM 0 HG3 MET A 1 -19.153 2.428 0.677 1.00 5.27 H new ATOM 0 HE1 MET A 1 -19.423 -0.454 -1.588 1.00 7.37 H new ATOM 0 HE2 MET A 1 -20.337 1.005 -1.137 1.00 7.37 H new ATOM 0 HE3 MET A 1 -18.567 1.081 -1.311 1.00 7.37 H new ATOM 20 N SER A 2 -15.141 3.671 2.494 1.00 1.61 N ATOM 21 CA SER A 2 -14.092 4.429 3.172 1.00 1.34 C ATOM 22 C SER A 2 -13.318 5.150 2.074 1.00 1.14 C ATOM 23 O SER A 2 -13.609 6.299 1.774 1.00 1.66 O ATOM 24 CB SER A 2 -13.158 3.604 4.078 1.00 2.21 C ATOM 25 OG SER A 2 -13.800 3.285 5.295 1.00 2.87 O ATOM 0 H SER A 2 -15.499 4.188 1.691 1.00 1.61 H new ATOM 0 HA SER A 2 -14.560 5.116 3.877 1.00 1.34 H new ATOM 0 HB2 SER A 2 -12.862 2.688 3.566 1.00 2.21 H new ATOM 0 HB3 SER A 2 -12.246 4.167 4.278 1.00 2.21 H new ATOM 0 HG SER A 2 -14.525 2.648 5.125 1.00 2.87 H new ATOM 31 N ILE A 3 -12.378 4.459 1.425 1.00 0.76 N ATOM 32 CA ILE A 3 -11.415 5.111 0.538 1.00 0.69 C ATOM 33 C ILE A 3 -11.975 5.322 -0.869 1.00 0.77 C ATOM 34 O ILE A 3 -11.553 6.214 -1.601 1.00 0.77 O ATOM 35 CB ILE A 3 -10.060 4.380 0.580 1.00 0.67 C ATOM 36 CG1 ILE A 3 -9.911 3.106 -0.265 1.00 0.85 C ATOM 37 CG2 ILE A 3 -9.708 4.081 2.044 1.00 0.71 C ATOM 38 CD1 ILE A 3 -8.419 2.918 -0.582 1.00 1.64 C ATOM 0 H ILE A 3 -12.264 3.448 1.498 1.00 0.76 H new ATOM 0 HA ILE A 3 -11.228 6.119 0.907 1.00 0.69 H new ATOM 0 HB ILE A 3 -9.363 5.072 0.106 1.00 0.67 H new ATOM 0 HG12 ILE A 3 -10.297 2.242 0.276 1.00 0.85 H new ATOM 0 HG13 ILE A 3 -10.489 3.190 -1.186 1.00 0.85 H new ATOM 0 HG21 ILE A 3 -8.750 3.563 2.089 1.00 0.71 H new ATOM 0 HG22 ILE A 3 -9.642 5.016 2.601 1.00 0.71 H new ATOM 0 HG23 ILE A 3 -10.482 3.452 2.483 1.00 0.71 H new ATOM 0 HD11 ILE A 3 -8.285 2.018 -1.182 1.00 1.64 H new ATOM 0 HD12 ILE A 3 -8.053 3.782 -1.137 1.00 1.64 H new ATOM 0 HD13 ILE A 3 -7.859 2.820 0.348 1.00 1.64 H new ATOM 50 N THR A 4 -12.950 4.493 -1.241 1.00 0.95 N ATOM 51 CA THR A 4 -13.607 4.478 -2.504 1.00 1.19 C ATOM 52 C THR A 4 -14.192 5.841 -2.871 1.00 1.14 C ATOM 53 O THR A 4 -14.151 6.202 -4.044 1.00 1.52 O ATOM 54 CB THR A 4 -14.644 3.344 -2.431 1.00 1.67 C ATOM 55 OG1 THR A 4 -15.108 3.134 -3.720 1.00 1.78 O ATOM 56 CG2 THR A 4 -15.831 3.623 -1.505 1.00 2.27 C ATOM 0 H THR A 4 -13.309 3.776 -0.611 1.00 0.95 H new ATOM 0 HA THR A 4 -12.909 4.284 -3.318 1.00 1.19 H new ATOM 0 HB THR A 4 -14.148 2.471 -2.007 1.00 1.67 H new ATOM 0 HG1 THR A 4 -15.773 2.414 -3.715 1.00 1.78 H new ATOM 0 HG21 THR A 4 -16.510 2.770 -1.516 1.00 2.27 H new ATOM 0 HG22 THR A 4 -15.470 3.786 -0.490 1.00 2.27 H new ATOM 0 HG23 THR A 4 -16.360 4.512 -1.849 1.00 2.27 H new ATOM 64 N ASP A 5 -14.726 6.570 -1.885 1.00 1.21 N ATOM 65 CA ASP A 5 -15.401 7.843 -2.094 1.00 1.26 C ATOM 66 C ASP A 5 -14.581 8.980 -1.471 1.00 1.21 C ATOM 67 O ASP A 5 -15.098 9.831 -0.753 1.00 1.91 O ATOM 68 CB ASP A 5 -16.829 7.744 -1.536 1.00 1.52 C ATOM 69 CG ASP A 5 -17.689 8.951 -1.893 1.00 2.09 C ATOM 70 OD1 ASP A 5 -17.405 9.574 -2.941 1.00 2.74 O ATOM 71 OD2 ASP A 5 -18.655 9.189 -1.138 1.00 3.06 O ATOM 0 H ASP A 5 -14.698 6.282 -0.907 1.00 1.21 H new ATOM 0 HA ASP A 5 -15.481 8.073 -3.156 1.00 1.26 H new ATOM 0 HB2 ASP A 5 -17.302 6.840 -1.920 1.00 1.52 H new ATOM 0 HB3 ASP A 5 -16.784 7.644 -0.452 1.00 1.52 H new ATOM 76 N VAL A 6 -13.267 8.951 -1.717 1.00 0.63 N ATOM 77 CA VAL A 6 -12.328 9.992 -1.298 1.00 0.66 C ATOM 78 C VAL A 6 -11.643 10.593 -2.525 1.00 0.52 C ATOM 79 O VAL A 6 -11.788 11.778 -2.809 1.00 0.53 O ATOM 80 CB VAL A 6 -11.319 9.406 -0.288 1.00 0.76 C ATOM 81 CG1 VAL A 6 -10.173 10.371 0.045 1.00 1.42 C ATOM 82 CG2 VAL A 6 -12.045 9.055 1.014 1.00 1.37 C ATOM 0 H VAL A 6 -12.819 8.187 -2.223 1.00 0.63 H new ATOM 0 HA VAL A 6 -12.860 10.799 -0.795 1.00 0.66 H new ATOM 0 HB VAL A 6 -10.887 8.522 -0.756 1.00 0.76 H new ATOM 0 HG11 VAL A 6 -9.498 9.901 0.760 1.00 1.42 H new ATOM 0 HG12 VAL A 6 -9.626 10.614 -0.866 1.00 1.42 H new ATOM 0 HG13 VAL A 6 -10.581 11.285 0.478 1.00 1.42 H new ATOM 0 HG21 VAL A 6 -11.333 8.641 1.728 1.00 1.37 H new ATOM 0 HG22 VAL A 6 -12.497 9.954 1.432 1.00 1.37 H new ATOM 0 HG23 VAL A 6 -12.823 8.319 0.810 1.00 1.37 H new ATOM 92 N LEU A 7 -10.865 9.771 -3.228 1.00 0.45 N ATOM 93 CA LEU A 7 -10.025 10.174 -4.352 1.00 0.42 C ATOM 94 C LEU A 7 -9.520 8.891 -5.004 1.00 0.42 C ATOM 95 O LEU A 7 -9.758 8.650 -6.186 1.00 0.43 O ATOM 96 CB LEU A 7 -8.854 11.042 -3.847 1.00 0.56 C ATOM 97 CG LEU A 7 -7.827 11.395 -4.942 1.00 0.67 C ATOM 98 CD1 LEU A 7 -7.958 12.857 -5.379 1.00 0.83 C ATOM 99 CD2 LEU A 7 -6.404 11.138 -4.433 1.00 1.17 C ATOM 0 H LEU A 7 -10.801 8.774 -3.023 1.00 0.45 H new ATOM 0 HA LEU A 7 -10.580 10.772 -5.074 1.00 0.42 H new ATOM 0 HB2 LEU A 7 -9.253 11.964 -3.424 1.00 0.56 H new ATOM 0 HB3 LEU A 7 -8.345 10.516 -3.040 1.00 0.56 H new ATOM 0 HG LEU A 7 -8.028 10.759 -5.804 1.00 0.67 H new ATOM 0 HD11 LEU A 7 -7.220 13.073 -6.151 1.00 0.83 H new ATOM 0 HD12 LEU A 7 -8.959 13.030 -5.774 1.00 0.83 H new ATOM 0 HD13 LEU A 7 -7.788 13.509 -4.522 1.00 0.83 H new ATOM 0 HD21 LEU A 7 -5.687 11.391 -5.214 1.00 1.17 H new ATOM 0 HD22 LEU A 7 -6.215 11.754 -3.554 1.00 1.17 H new ATOM 0 HD23 LEU A 7 -6.297 10.086 -4.168 1.00 1.17 H new ATOM 111 N SER A 8 -8.900 8.055 -4.162 1.00 0.49 N ATOM 112 CA SER A 8 -8.168 6.835 -4.445 1.00 0.54 C ATOM 113 C SER A 8 -8.689 5.981 -5.601 1.00 0.52 C ATOM 114 O SER A 8 -7.910 5.256 -6.203 1.00 0.52 O ATOM 115 CB SER A 8 -8.111 6.034 -3.144 1.00 0.75 C ATOM 116 OG SER A 8 -7.860 6.927 -2.068 1.00 0.86 O ATOM 0 H SER A 8 -8.906 8.247 -3.160 1.00 0.49 H new ATOM 0 HA SER A 8 -7.180 7.130 -4.799 1.00 0.54 H new ATOM 0 HB2 SER A 8 -9.051 5.505 -2.985 1.00 0.75 H new ATOM 0 HB3 SER A 8 -7.326 5.279 -3.199 1.00 0.75 H new ATOM 0 HG SER A 8 -7.823 6.424 -1.228 1.00 0.86 H new ATOM 122 N ALA A 9 -9.993 6.001 -5.886 1.00 0.58 N ATOM 123 CA ALA A 9 -10.573 5.349 -7.054 1.00 0.66 C ATOM 124 C ALA A 9 -9.817 5.699 -8.339 1.00 0.59 C ATOM 125 O ALA A 9 -9.449 4.809 -9.108 1.00 0.61 O ATOM 126 CB ALA A 9 -12.050 5.737 -7.160 1.00 0.78 C ATOM 0 H ALA A 9 -10.681 6.477 -5.303 1.00 0.58 H new ATOM 0 HA ALA A 9 -10.488 4.270 -6.929 1.00 0.66 H new ATOM 0 HB1 ALA A 9 -12.492 5.253 -8.031 1.00 0.78 H new ATOM 0 HB2 ALA A 9 -12.576 5.416 -6.261 1.00 0.78 H new ATOM 0 HB3 ALA A 9 -12.136 6.819 -7.263 1.00 0.78 H new ATOM 132 N ASP A 10 -9.580 6.989 -8.575 1.00 0.55 N ATOM 133 CA ASP A 10 -8.869 7.423 -9.773 1.00 0.55 C ATOM 134 C ASP A 10 -7.443 6.861 -9.753 1.00 0.48 C ATOM 135 O ASP A 10 -6.924 6.336 -10.740 1.00 0.50 O ATOM 136 CB ASP A 10 -8.873 8.953 -9.831 1.00 0.63 C ATOM 137 CG ASP A 10 -8.349 9.445 -11.171 1.00 0.76 C ATOM 138 OD1 ASP A 10 -7.117 9.618 -11.277 1.00 2.09 O ATOM 139 OD2 ASP A 10 -9.197 9.645 -12.067 1.00 1.52 O ATOM 0 H ASP A 10 -9.869 7.746 -7.956 1.00 0.55 H new ATOM 0 HA ASP A 10 -9.364 7.046 -10.668 1.00 0.55 H new ATOM 0 HB2 ASP A 10 -9.885 9.325 -9.673 1.00 0.63 H new ATOM 0 HB3 ASP A 10 -8.257 9.353 -9.026 1.00 0.63 H new ATOM 144 N ASP A 11 -6.829 6.916 -8.574 1.00 0.47 N ATOM 145 CA ASP A 11 -5.435 6.604 -8.376 1.00 0.50 C ATOM 146 C ASP A 11 -5.226 5.112 -8.603 1.00 0.46 C ATOM 147 O ASP A 11 -4.295 4.709 -9.296 1.00 0.47 O ATOM 148 CB ASP A 11 -5.007 7.059 -6.975 1.00 0.55 C ATOM 149 CG ASP A 11 -5.428 8.485 -6.659 1.00 1.20 C ATOM 150 OD1 ASP A 11 -6.653 8.669 -6.488 1.00 2.42 O ATOM 151 OD2 ASP A 11 -4.533 9.354 -6.576 1.00 2.07 O ATOM 0 H ASP A 11 -7.308 7.187 -7.715 1.00 0.47 H new ATOM 0 HA ASP A 11 -4.807 7.136 -9.091 1.00 0.50 H new ATOM 0 HB2 ASP A 11 -5.437 6.386 -6.233 1.00 0.55 H new ATOM 0 HB3 ASP A 11 -3.923 6.978 -6.888 1.00 0.55 H new ATOM 156 N ILE A 12 -6.114 4.264 -8.075 1.00 0.51 N ATOM 157 CA ILE A 12 -6.050 2.853 -8.356 1.00 0.61 C ATOM 158 C ILE A 12 -6.236 2.569 -9.846 1.00 0.60 C ATOM 159 O ILE A 12 -5.571 1.683 -10.369 1.00 0.65 O ATOM 160 CB ILE A 12 -6.980 2.020 -7.476 1.00 0.77 C ATOM 161 CG1 ILE A 12 -8.481 2.239 -7.678 1.00 0.77 C ATOM 162 CG2 ILE A 12 -6.562 2.077 -5.999 1.00 0.86 C ATOM 163 CD1 ILE A 12 -9.313 1.017 -7.273 1.00 1.32 C ATOM 0 H ILE A 12 -6.876 4.542 -7.456 1.00 0.51 H new ATOM 0 HA ILE A 12 -5.043 2.530 -8.091 1.00 0.61 H new ATOM 0 HB ILE A 12 -6.840 1.000 -7.832 1.00 0.77 H new ATOM 0 HG12 ILE A 12 -8.801 3.102 -7.094 1.00 0.77 H new ATOM 0 HG13 ILE A 12 -8.673 2.474 -8.725 1.00 0.77 H new ATOM 0 HG21 ILE A 12 -7.246 1.473 -5.404 1.00 0.86 H new ATOM 0 HG22 ILE A 12 -5.549 1.689 -5.892 1.00 0.86 H new ATOM 0 HG23 ILE A 12 -6.594 3.110 -5.652 1.00 0.86 H new ATOM 0 HD11 ILE A 12 -10.370 1.226 -7.436 1.00 1.32 H new ATOM 0 HD12 ILE A 12 -9.016 0.159 -7.875 1.00 1.32 H new ATOM 0 HD13 ILE A 12 -9.146 0.796 -6.219 1.00 1.32 H new ATOM 175 N ALA A 13 -7.107 3.307 -10.541 1.00 0.61 N ATOM 176 CA ALA A 13 -7.249 3.145 -11.985 1.00 0.68 C ATOM 177 C ALA A 13 -5.909 3.400 -12.683 1.00 0.61 C ATOM 178 O ALA A 13 -5.502 2.623 -13.547 1.00 0.67 O ATOM 179 CB ALA A 13 -8.364 4.039 -12.536 1.00 0.78 C ATOM 0 H ALA A 13 -7.717 4.014 -10.130 1.00 0.61 H new ATOM 0 HA ALA A 13 -7.541 2.115 -12.193 1.00 0.68 H new ATOM 0 HB1 ALA A 13 -8.446 3.896 -13.614 1.00 0.78 H new ATOM 0 HB2 ALA A 13 -9.310 3.775 -12.062 1.00 0.78 H new ATOM 0 HB3 ALA A 13 -8.131 5.083 -12.325 1.00 0.78 H new ATOM 185 N ALA A 14 -5.199 4.461 -12.288 1.00 0.53 N ATOM 186 CA ALA A 14 -3.848 4.703 -12.783 1.00 0.53 C ATOM 187 C ALA A 14 -2.924 3.526 -12.439 1.00 0.49 C ATOM 188 O ALA A 14 -2.318 2.922 -13.325 1.00 0.52 O ATOM 189 CB ALA A 14 -3.305 6.027 -12.233 1.00 0.56 C ATOM 0 H ALA A 14 -5.539 5.162 -11.629 1.00 0.53 H new ATOM 0 HA ALA A 14 -3.883 4.784 -13.869 1.00 0.53 H new ATOM 0 HB1 ALA A 14 -2.296 6.192 -12.612 1.00 0.56 H new ATOM 0 HB2 ALA A 14 -3.951 6.845 -12.551 1.00 0.56 H new ATOM 0 HB3 ALA A 14 -3.281 5.986 -11.144 1.00 0.56 H new ATOM 195 N ALA A 15 -2.830 3.191 -11.149 1.00 0.48 N ATOM 196 CA ALA A 15 -1.938 2.167 -10.621 1.00 0.51 C ATOM 197 C ALA A 15 -2.134 0.838 -11.342 1.00 0.56 C ATOM 198 O ALA A 15 -1.171 0.178 -11.722 1.00 0.60 O ATOM 199 CB ALA A 15 -2.171 2.005 -9.115 1.00 0.54 C ATOM 0 H ALA A 15 -3.391 3.641 -10.426 1.00 0.48 H new ATOM 0 HA ALA A 15 -0.909 2.484 -10.791 1.00 0.51 H new ATOM 0 HB1 ALA A 15 -1.502 1.238 -8.724 1.00 0.54 H new ATOM 0 HB2 ALA A 15 -1.972 2.951 -8.612 1.00 0.54 H new ATOM 0 HB3 ALA A 15 -3.205 1.710 -8.936 1.00 0.54 H new ATOM 205 N LEU A 16 -3.395 0.468 -11.551 1.00 0.60 N ATOM 206 CA LEU A 16 -3.812 -0.728 -12.262 1.00 0.68 C ATOM 207 C LEU A 16 -3.123 -0.820 -13.620 1.00 0.64 C ATOM 208 O LEU A 16 -2.768 -1.916 -14.051 1.00 0.72 O ATOM 209 CB LEU A 16 -5.348 -0.734 -12.369 1.00 0.76 C ATOM 210 CG LEU A 16 -5.940 -1.742 -13.373 1.00 1.53 C ATOM 211 CD1 LEU A 16 -7.282 -2.263 -12.851 1.00 2.15 C ATOM 212 CD2 LEU A 16 -6.186 -1.087 -14.742 1.00 3.42 C ATOM 0 H LEU A 16 -4.184 1.020 -11.214 1.00 0.60 H new ATOM 0 HA LEU A 16 -3.509 -1.618 -11.711 1.00 0.68 H new ATOM 0 HB2 LEU A 16 -5.762 -0.944 -11.383 1.00 0.76 H new ATOM 0 HB3 LEU A 16 -5.679 0.266 -12.647 1.00 0.76 H new ATOM 0 HG LEU A 16 -5.223 -2.555 -13.485 1.00 1.53 H new ATOM 0 HD11 LEU A 16 -7.698 -2.975 -13.563 1.00 2.15 H new ATOM 0 HD12 LEU A 16 -7.132 -2.756 -11.890 1.00 2.15 H new ATOM 0 HD13 LEU A 16 -7.973 -1.429 -12.727 1.00 2.15 H new ATOM 0 HD21 LEU A 16 -6.604 -1.824 -15.428 1.00 3.42 H new ATOM 0 HD22 LEU A 16 -6.886 -0.259 -14.629 1.00 3.42 H new ATOM 0 HD23 LEU A 16 -5.243 -0.713 -15.141 1.00 3.42 H new ATOM 224 N GLN A 17 -2.957 0.312 -14.311 1.00 0.60 N ATOM 225 CA GLN A 17 -2.365 0.321 -15.636 1.00 0.65 C ATOM 226 C GLN A 17 -0.846 0.468 -15.551 1.00 0.65 C ATOM 227 O GLN A 17 -0.127 -0.218 -16.274 1.00 0.69 O ATOM 228 CB GLN A 17 -3.029 1.399 -16.502 1.00 0.73 C ATOM 229 CG GLN A 17 -2.767 1.121 -17.989 1.00 1.84 C ATOM 230 CD GLN A 17 -3.626 1.991 -18.898 1.00 2.07 C ATOM 231 OE1 GLN A 17 -3.119 2.834 -19.629 1.00 2.90 O ATOM 232 NE2 GLN A 17 -4.939 1.776 -18.883 1.00 2.43 N ATOM 0 H GLN A 17 -3.228 1.233 -13.966 1.00 0.60 H new ATOM 0 HA GLN A 17 -2.550 -0.636 -16.124 1.00 0.65 H new ATOM 0 HB2 GLN A 17 -4.102 1.418 -16.312 1.00 0.73 H new ATOM 0 HB3 GLN A 17 -2.640 2.381 -16.234 1.00 0.73 H new ATOM 0 HG2 GLN A 17 -1.714 1.297 -18.210 1.00 1.84 H new ATOM 0 HG3 GLN A 17 -2.966 0.070 -18.201 1.00 1.84 H new ATOM 0 HE21 GLN A 17 -5.333 1.067 -18.264 1.00 2.43 H new ATOM 0 HE22 GLN A 17 -5.552 2.320 -19.491 1.00 2.43 H new ATOM 241 N GLU A 18 -0.352 1.364 -14.690 1.00 0.66 N ATOM 242 CA GLU A 18 1.076 1.648 -14.602 1.00 0.75 C ATOM 243 C GLU A 18 1.842 0.454 -14.014 1.00 0.80 C ATOM 244 O GLU A 18 2.955 0.156 -14.439 1.00 1.00 O ATOM 245 CB GLU A 18 1.303 3.004 -13.907 1.00 0.74 C ATOM 246 CG GLU A 18 1.591 2.981 -12.394 1.00 0.96 C ATOM 247 CD GLU A 18 3.076 2.965 -12.044 1.00 1.71 C ATOM 248 OE1 GLU A 18 3.849 3.637 -12.767 1.00 2.25 O ATOM 249 OE2 GLU A 18 3.422 2.336 -11.023 1.00 3.16 O ATOM 0 H GLU A 18 -0.927 1.905 -14.044 1.00 0.66 H new ATOM 0 HA GLU A 18 1.504 1.766 -15.597 1.00 0.75 H new ATOM 0 HB2 GLU A 18 2.137 3.502 -14.402 1.00 0.74 H new ATOM 0 HB3 GLU A 18 0.420 3.621 -14.073 1.00 0.74 H new ATOM 0 HG2 GLU A 18 1.129 3.854 -11.934 1.00 0.96 H new ATOM 0 HG3 GLU A 18 1.116 2.102 -11.958 1.00 0.96 H new ATOM 256 N CYS A 19 1.215 -0.263 -13.076 1.00 0.72 N ATOM 257 CA CYS A 19 1.728 -1.482 -12.465 1.00 0.83 C ATOM 258 C CYS A 19 0.925 -2.685 -12.973 1.00 0.72 C ATOM 259 O CYS A 19 0.369 -3.471 -12.206 1.00 0.84 O ATOM 260 CB CYS A 19 1.656 -1.356 -10.941 1.00 1.01 C ATOM 261 SG CYS A 19 2.609 -2.719 -10.243 1.00 2.95 S ATOM 0 H CYS A 19 0.301 0.005 -12.711 1.00 0.72 H new ATOM 0 HA CYS A 19 2.771 -1.634 -12.742 1.00 0.83 H new ATOM 0 HB2 CYS A 19 2.061 -0.398 -10.615 1.00 1.01 H new ATOM 0 HB3 CYS A 19 0.621 -1.397 -10.601 1.00 1.01 H new ATOM 0 HG CYS A 19 2.634 -2.612 -8.948 1.00 2.95 H new ATOM 267 N ARG A 20 0.824 -2.805 -14.299 1.00 0.65 N ATOM 268 CA ARG A 20 0.116 -3.898 -14.955 1.00 0.61 C ATOM 269 C ARG A 20 1.095 -5.029 -15.261 1.00 0.59 C ATOM 270 O ARG A 20 0.812 -6.201 -15.012 1.00 0.74 O ATOM 271 CB ARG A 20 -0.563 -3.342 -16.209 1.00 0.70 C ATOM 272 CG ARG A 20 -1.449 -4.358 -16.941 1.00 1.28 C ATOM 273 CD ARG A 20 -2.680 -3.641 -17.520 1.00 1.73 C ATOM 274 NE ARG A 20 -3.153 -4.254 -18.770 1.00 2.51 N ATOM 275 CZ ARG A 20 -2.632 -3.985 -19.979 1.00 3.28 C ATOM 276 NH1 ARG A 20 -1.522 -3.244 -20.070 1.00 4.15 N ATOM 277 NH2 ARG A 20 -3.225 -4.452 -21.084 1.00 4.05 N ATOM 0 H ARG A 20 1.237 -2.138 -14.951 1.00 0.65 H new ATOM 0 HA ARG A 20 -0.656 -4.319 -14.311 1.00 0.61 H new ATOM 0 HB2 ARG A 20 -1.170 -2.481 -15.930 1.00 0.70 H new ATOM 0 HB3 ARG A 20 0.203 -2.982 -16.896 1.00 0.70 H new ATOM 0 HG2 ARG A 20 -0.885 -4.839 -17.741 1.00 1.28 H new ATOM 0 HG3 ARG A 20 -1.762 -5.145 -16.255 1.00 1.28 H new ATOM 0 HD2 ARG A 20 -3.484 -3.656 -16.785 1.00 1.73 H new ATOM 0 HD3 ARG A 20 -2.435 -2.595 -17.702 1.00 1.73 H new ATOM 0 HE ARG A 20 -3.922 -4.922 -18.716 1.00 2.51 H new ATOM 0 HH11 ARG A 20 -1.076 -2.887 -19.225 1.00 4.15 H new ATOM 0 HH12 ARG A 20 -1.121 -3.036 -20.985 1.00 4.15 H new ATOM 0 HH21 ARG A 20 -4.074 -5.013 -21.009 1.00 4.05 H new ATOM 0 HH22 ARG A 20 -2.828 -4.247 -22.001 1.00 4.05 H new ATOM 291 N ASP A 21 2.244 -4.663 -15.825 1.00 0.62 N ATOM 292 CA ASP A 21 3.333 -5.557 -16.179 1.00 0.71 C ATOM 293 C ASP A 21 3.887 -6.219 -14.907 1.00 0.62 C ATOM 294 O ASP A 21 3.840 -5.614 -13.834 1.00 0.49 O ATOM 295 CB ASP A 21 4.421 -4.740 -16.900 1.00 0.85 C ATOM 296 CG ASP A 21 3.858 -3.781 -17.943 1.00 1.48 C ATOM 297 OD1 ASP A 21 3.155 -2.840 -17.505 1.00 2.81 O ATOM 298 OD2 ASP A 21 4.108 -4.017 -19.142 1.00 1.96 O ATOM 0 H ASP A 21 2.446 -3.690 -16.056 1.00 0.62 H new ATOM 0 HA ASP A 21 2.983 -6.346 -16.844 1.00 0.71 H new ATOM 0 HB2 ASP A 21 4.989 -4.173 -16.163 1.00 0.85 H new ATOM 0 HB3 ASP A 21 5.119 -5.423 -17.383 1.00 0.85 H new ATOM 303 N PRO A 22 4.392 -7.459 -14.992 1.00 0.86 N ATOM 304 CA PRO A 22 4.843 -8.190 -13.823 1.00 0.89 C ATOM 305 C PRO A 22 6.091 -7.552 -13.214 1.00 0.83 C ATOM 306 O PRO A 22 7.002 -7.147 -13.934 1.00 1.24 O ATOM 307 CB PRO A 22 5.113 -9.618 -14.306 1.00 1.17 C ATOM 308 CG PRO A 22 5.461 -9.421 -15.782 1.00 1.31 C ATOM 309 CD PRO A 22 4.558 -8.258 -16.195 1.00 1.14 C ATOM 0 HA PRO A 22 4.095 -8.178 -13.030 1.00 0.89 H new ATOM 0 HB2 PRO A 22 5.932 -10.082 -13.757 1.00 1.17 H new ATOM 0 HB3 PRO A 22 4.241 -10.259 -14.179 1.00 1.17 H new ATOM 0 HG2 PRO A 22 6.516 -9.182 -15.920 1.00 1.31 H new ATOM 0 HG3 PRO A 22 5.258 -10.318 -16.368 1.00 1.31 H new ATOM 0 HD2 PRO A 22 5.010 -7.674 -16.997 1.00 1.14 H new ATOM 0 HD3 PRO A 22 3.598 -8.617 -16.565 1.00 1.14 H new ATOM 317 N ASP A 23 6.118 -7.489 -11.881 1.00 0.54 N ATOM 318 CA ASP A 23 7.259 -7.106 -11.062 1.00 0.54 C ATOM 319 C ASP A 23 7.666 -5.637 -11.302 1.00 0.56 C ATOM 320 O ASP A 23 8.809 -5.261 -11.050 1.00 0.83 O ATOM 321 CB ASP A 23 8.422 -8.112 -11.206 1.00 0.70 C ATOM 322 CG ASP A 23 8.093 -9.516 -10.691 1.00 1.37 C ATOM 323 OD1 ASP A 23 7.173 -10.146 -11.257 1.00 2.36 O ATOM 324 OD2 ASP A 23 8.768 -9.954 -9.729 1.00 2.27 O ATOM 0 H ASP A 23 5.298 -7.717 -11.319 1.00 0.54 H new ATOM 0 HA ASP A 23 6.958 -7.154 -10.015 1.00 0.54 H new ATOM 0 HB2 ASP A 23 8.705 -8.178 -12.257 1.00 0.70 H new ATOM 0 HB3 ASP A 23 9.289 -7.731 -10.666 1.00 0.70 H new ATOM 329 N THR A 24 6.723 -4.791 -11.740 1.00 0.48 N ATOM 330 CA THR A 24 6.946 -3.370 -12.019 1.00 0.52 C ATOM 331 C THR A 24 6.655 -2.502 -10.790 1.00 0.57 C ATOM 332 O THR A 24 7.015 -1.328 -10.758 1.00 0.87 O ATOM 333 CB THR A 24 6.122 -2.972 -13.262 1.00 0.57 C ATOM 334 OG1 THR A 24 6.774 -3.529 -14.385 1.00 1.02 O ATOM 335 CG2 THR A 24 5.985 -1.463 -13.503 1.00 1.05 C ATOM 0 H THR A 24 5.762 -5.085 -11.913 1.00 0.48 H new ATOM 0 HA THR A 24 7.998 -3.195 -12.244 1.00 0.52 H new ATOM 0 HB THR A 24 5.110 -3.342 -13.098 1.00 0.57 H new ATOM 0 HG1 THR A 24 6.616 -2.963 -15.169 1.00 1.02 H new ATOM 0 HG21 THR A 24 5.389 -1.290 -14.399 1.00 1.05 H new ATOM 0 HG22 THR A 24 5.494 -1.001 -12.646 1.00 1.05 H new ATOM 0 HG23 THR A 24 6.974 -1.024 -13.635 1.00 1.05 H new ATOM 343 N PHE A 25 5.998 -3.061 -9.771 1.00 0.46 N ATOM 344 CA PHE A 25 5.666 -2.342 -8.549 1.00 0.66 C ATOM 345 C PHE A 25 6.914 -1.717 -7.913 1.00 0.61 C ATOM 346 O PHE A 25 7.826 -2.442 -7.516 1.00 1.06 O ATOM 347 CB PHE A 25 4.984 -3.314 -7.581 1.00 1.02 C ATOM 348 CG PHE A 25 4.198 -2.656 -6.462 1.00 1.55 C ATOM 349 CD1 PHE A 25 4.850 -1.878 -5.484 1.00 3.44 C ATOM 350 CD2 PHE A 25 2.799 -2.807 -6.411 1.00 1.91 C ATOM 351 CE1 PHE A 25 4.098 -1.176 -4.530 1.00 4.02 C ATOM 352 CE2 PHE A 25 2.063 -2.202 -5.380 1.00 2.28 C ATOM 353 CZ PHE A 25 2.708 -1.368 -4.453 1.00 2.89 C ATOM 0 H PHE A 25 5.682 -4.031 -9.775 1.00 0.46 H new ATOM 0 HA PHE A 25 4.988 -1.522 -8.785 1.00 0.66 H new ATOM 0 HB2 PHE A 25 4.311 -3.957 -8.149 1.00 1.02 H new ATOM 0 HB3 PHE A 25 5.745 -3.959 -7.141 1.00 1.02 H new ATOM 0 HD1 PHE A 25 5.928 -1.822 -5.469 1.00 3.44 H new ATOM 0 HD2 PHE A 25 2.292 -3.389 -7.166 1.00 1.91 H new ATOM 0 HE1 PHE A 25 4.587 -0.489 -3.855 1.00 4.02 H new ATOM 0 HE2 PHE A 25 1.000 -2.378 -5.300 1.00 2.28 H new ATOM 0 HZ PHE A 25 2.136 -0.874 -3.681 1.00 2.89 H new ATOM 363 N GLU A 26 6.915 -0.389 -7.758 1.00 0.61 N ATOM 364 CA GLU A 26 7.898 0.373 -6.990 1.00 0.56 C ATOM 365 C GLU A 26 7.193 1.126 -5.850 1.00 0.56 C ATOM 366 O GLU A 26 6.009 1.440 -5.971 1.00 0.55 O ATOM 367 CB GLU A 26 8.615 1.387 -7.894 1.00 0.50 C ATOM 368 CG GLU A 26 10.049 1.003 -8.270 1.00 0.66 C ATOM 369 CD GLU A 26 10.852 2.269 -8.541 1.00 1.27 C ATOM 370 OE1 GLU A 26 10.410 3.043 -9.418 1.00 2.42 O ATOM 371 OE2 GLU A 26 11.845 2.475 -7.810 1.00 2.32 O ATOM 0 H GLU A 26 6.202 0.205 -8.182 1.00 0.61 H new ATOM 0 HA GLU A 26 8.631 -0.321 -6.579 1.00 0.56 H new ATOM 0 HB2 GLU A 26 8.035 1.513 -8.808 1.00 0.50 H new ATOM 0 HB3 GLU A 26 8.632 2.354 -7.391 1.00 0.50 H new ATOM 0 HG2 GLU A 26 10.509 0.432 -7.463 1.00 0.66 H new ATOM 0 HG3 GLU A 26 10.047 0.363 -9.152 1.00 0.66 H new ATOM 378 N PRO A 27 7.912 1.458 -4.765 1.00 0.65 N ATOM 379 CA PRO A 27 7.347 2.097 -3.585 1.00 0.72 C ATOM 380 C PRO A 27 6.870 3.521 -3.875 1.00 0.57 C ATOM 381 O PRO A 27 5.684 3.713 -4.108 1.00 0.39 O ATOM 382 CB PRO A 27 8.441 2.019 -2.520 1.00 0.94 C ATOM 383 CG PRO A 27 9.743 1.929 -3.322 1.00 1.01 C ATOM 384 CD PRO A 27 9.323 1.161 -4.571 1.00 0.78 C ATOM 0 HA PRO A 27 6.444 1.594 -3.239 1.00 0.72 H new ATOM 0 HB2 PRO A 27 8.431 2.897 -1.874 1.00 0.94 H new ATOM 0 HB3 PRO A 27 8.309 1.149 -1.877 1.00 0.94 H new ATOM 0 HG2 PRO A 27 10.135 2.916 -3.568 1.00 1.01 H new ATOM 0 HG3 PRO A 27 10.523 1.405 -2.769 1.00 1.01 H new ATOM 0 HD2 PRO A 27 9.910 1.470 -5.436 1.00 0.78 H new ATOM 0 HD3 PRO A 27 9.483 0.090 -4.444 1.00 0.78 H new ATOM 392 N GLN A 28 7.766 4.514 -3.867 1.00 0.76 N ATOM 393 CA GLN A 28 7.440 5.929 -4.054 1.00 0.77 C ATOM 394 C GLN A 28 6.549 6.134 -5.282 1.00 0.64 C ATOM 395 O GLN A 28 5.526 6.817 -5.209 1.00 0.67 O ATOM 396 CB GLN A 28 8.741 6.740 -4.136 1.00 0.97 C ATOM 397 CG GLN A 28 9.419 6.799 -2.758 1.00 0.96 C ATOM 398 CD GLN A 28 10.874 7.244 -2.865 1.00 1.04 C ATOM 399 OE1 GLN A 28 11.753 6.423 -3.102 1.00 1.77 O ATOM 400 NE2 GLN A 28 11.148 8.532 -2.686 1.00 1.77 N ATOM 0 H GLN A 28 8.763 4.350 -3.727 1.00 0.76 H new ATOM 0 HA GLN A 28 6.866 6.287 -3.199 1.00 0.77 H new ATOM 0 HB2 GLN A 28 9.416 6.286 -4.862 1.00 0.97 H new ATOM 0 HB3 GLN A 28 8.527 7.749 -4.487 1.00 0.97 H new ATOM 0 HG2 GLN A 28 8.874 7.488 -2.113 1.00 0.96 H new ATOM 0 HG3 GLN A 28 9.372 5.817 -2.287 1.00 0.96 H new ATOM 0 HE21 GLN A 28 10.395 9.191 -2.490 1.00 1.77 H new ATOM 0 HE22 GLN A 28 12.112 8.861 -2.744 1.00 1.77 H new ATOM 409 N LYS A 29 6.926 5.477 -6.384 1.00 0.59 N ATOM 410 CA LYS A 29 6.107 5.300 -7.575 1.00 0.39 C ATOM 411 C LYS A 29 4.653 5.034 -7.176 1.00 0.34 C ATOM 412 O LYS A 29 3.780 5.870 -7.410 1.00 0.36 O ATOM 413 CB LYS A 29 6.690 4.121 -8.366 1.00 0.51 C ATOM 414 CG LYS A 29 5.992 3.788 -9.692 1.00 0.71 C ATOM 415 CD LYS A 29 6.625 4.492 -10.902 1.00 1.16 C ATOM 416 CE LYS A 29 5.814 5.686 -11.430 1.00 1.90 C ATOM 417 NZ LYS A 29 5.591 5.566 -12.885 1.00 2.61 N ATOM 0 H LYS A 29 7.844 5.040 -6.468 1.00 0.59 H new ATOM 0 HA LYS A 29 6.115 6.199 -8.192 1.00 0.39 H new ATOM 0 HB2 LYS A 29 7.739 4.332 -8.574 1.00 0.51 H new ATOM 0 HB3 LYS A 29 6.663 3.235 -7.732 1.00 0.51 H new ATOM 0 HG2 LYS A 29 6.022 2.710 -9.850 1.00 0.71 H new ATOM 0 HG3 LYS A 29 4.942 4.071 -9.623 1.00 0.71 H new ATOM 0 HD2 LYS A 29 7.622 4.837 -10.627 1.00 1.16 H new ATOM 0 HD3 LYS A 29 6.749 3.767 -11.706 1.00 1.16 H new ATOM 0 HE2 LYS A 29 4.855 5.737 -10.914 1.00 1.90 H new ATOM 0 HE3 LYS A 29 6.342 6.614 -11.214 1.00 1.90 H new ATOM 0 HZ1 LYS A 29 5.116 6.422 -13.235 1.00 2.61 H new ATOM 0 HZ2 LYS A 29 6.505 5.455 -13.368 1.00 2.61 H new ATOM 0 HZ3 LYS A 29 4.995 4.736 -13.078 1.00 2.61 H new ATOM 431 N PHE A 30 4.386 3.874 -6.570 1.00 0.40 N ATOM 432 CA PHE A 30 3.036 3.460 -6.245 1.00 0.39 C ATOM 433 C PHE A 30 2.405 4.389 -5.207 1.00 0.43 C ATOM 434 O PHE A 30 1.221 4.692 -5.302 1.00 0.57 O ATOM 435 CB PHE A 30 3.024 1.998 -5.793 1.00 0.40 C ATOM 436 CG PHE A 30 1.646 1.371 -5.797 1.00 0.72 C ATOM 437 CD1 PHE A 30 0.777 1.549 -4.705 1.00 1.47 C ATOM 438 CD2 PHE A 30 1.237 0.600 -6.901 1.00 2.55 C ATOM 439 CE1 PHE A 30 -0.505 0.973 -4.728 1.00 1.42 C ATOM 440 CE2 PHE A 30 -0.021 -0.024 -6.895 1.00 3.03 C ATOM 441 CZ PHE A 30 -0.903 0.187 -5.823 1.00 1.77 C ATOM 0 H PHE A 30 5.104 3.203 -6.295 1.00 0.40 H new ATOM 0 HA PHE A 30 2.423 3.534 -7.143 1.00 0.39 H new ATOM 0 HB2 PHE A 30 3.678 1.420 -6.445 1.00 0.40 H new ATOM 0 HB3 PHE A 30 3.439 1.934 -4.787 1.00 0.40 H new ATOM 0 HD1 PHE A 30 1.095 2.128 -3.850 1.00 1.47 H new ATOM 0 HD2 PHE A 30 1.891 0.488 -7.753 1.00 2.55 H new ATOM 0 HE1 PHE A 30 -1.184 1.134 -3.904 1.00 1.42 H new ATOM 0 HE2 PHE A 30 -0.310 -0.666 -7.714 1.00 3.03 H new ATOM 0 HZ PHE A 30 -1.888 -0.255 -5.840 1.00 1.77 H new ATOM 451 N PHE A 31 3.165 4.861 -4.217 1.00 0.43 N ATOM 452 CA PHE A 31 2.651 5.768 -3.198 1.00 0.51 C ATOM 453 C PHE A 31 2.075 7.027 -3.849 1.00 0.52 C ATOM 454 O PHE A 31 0.994 7.482 -3.470 1.00 0.62 O ATOM 455 CB PHE A 31 3.737 6.158 -2.189 1.00 0.74 C ATOM 456 CG PHE A 31 4.538 5.060 -1.515 1.00 1.59 C ATOM 457 CD1 PHE A 31 4.033 3.755 -1.359 1.00 3.33 C ATOM 458 CD2 PHE A 31 5.777 5.396 -0.937 1.00 2.51 C ATOM 459 CE1 PHE A 31 4.786 2.788 -0.670 1.00 4.77 C ATOM 460 CE2 PHE A 31 6.540 4.421 -0.279 1.00 4.02 C ATOM 461 CZ PHE A 31 6.043 3.116 -0.136 1.00 4.87 C ATOM 0 H PHE A 31 4.150 4.624 -4.102 1.00 0.43 H new ATOM 0 HA PHE A 31 1.861 5.243 -2.660 1.00 0.51 H new ATOM 0 HB2 PHE A 31 4.442 6.814 -2.700 1.00 0.74 H new ATOM 0 HB3 PHE A 31 3.262 6.749 -1.405 1.00 0.74 H new ATOM 0 HD1 PHE A 31 3.068 3.497 -1.768 1.00 3.33 H new ATOM 0 HD2 PHE A 31 6.142 6.411 -1.001 1.00 2.51 H new ATOM 0 HE1 PHE A 31 4.396 1.788 -0.551 1.00 4.77 H new ATOM 0 HE2 PHE A 31 7.512 4.674 0.118 1.00 4.02 H new ATOM 0 HZ PHE A 31 6.624 2.368 0.382 1.00 4.87 H new ATOM 471 N GLN A 32 2.773 7.580 -4.847 1.00 0.50 N ATOM 472 CA GLN A 32 2.247 8.706 -5.597 1.00 0.63 C ATOM 473 C GLN A 32 1.076 8.243 -6.454 1.00 0.68 C ATOM 474 O GLN A 32 -0.001 8.830 -6.391 1.00 0.86 O ATOM 475 CB GLN A 32 3.341 9.351 -6.455 1.00 0.72 C ATOM 476 CG GLN A 32 4.290 10.188 -5.587 1.00 1.42 C ATOM 477 CD GLN A 32 5.387 10.843 -6.420 1.00 1.53 C ATOM 478 OE1 GLN A 32 6.571 10.627 -6.190 1.00 2.74 O ATOM 479 NE2 GLN A 32 5.006 11.659 -7.401 1.00 1.57 N ATOM 0 H GLN A 32 3.695 7.263 -5.146 1.00 0.50 H new ATOM 0 HA GLN A 32 1.893 9.465 -4.899 1.00 0.63 H new ATOM 0 HB2 GLN A 32 3.905 8.577 -6.976 1.00 0.72 H new ATOM 0 HB3 GLN A 32 2.886 9.983 -7.218 1.00 0.72 H new ATOM 0 HG2 GLN A 32 3.722 10.957 -5.064 1.00 1.42 H new ATOM 0 HG3 GLN A 32 4.742 9.553 -4.825 1.00 1.42 H new ATOM 0 HE21 GLN A 32 4.014 11.822 -7.572 1.00 1.57 H new ATOM 0 HE22 GLN A 32 5.706 12.121 -7.981 1.00 1.57 H new ATOM 488 N THR A 33 1.275 7.192 -7.252 1.00 0.58 N ATOM 489 CA THR A 33 0.326 6.778 -8.262 1.00 0.63 C ATOM 490 C THR A 33 -1.001 6.338 -7.640 1.00 0.77 C ATOM 491 O THR A 33 -2.029 6.421 -8.302 1.00 0.99 O ATOM 492 CB THR A 33 0.972 5.719 -9.181 1.00 0.48 C ATOM 493 OG1 THR A 33 0.834 6.145 -10.513 1.00 0.53 O ATOM 494 CG2 THR A 33 0.383 4.315 -9.040 1.00 0.52 C ATOM 0 H THR A 33 2.109 6.606 -7.207 1.00 0.58 H new ATOM 0 HA THR A 33 0.069 7.629 -8.893 1.00 0.63 H new ATOM 0 HB THR A 33 2.016 5.637 -8.880 1.00 0.48 H new ATOM 0 HG1 THR A 33 1.586 5.808 -11.044 1.00 0.53 H new ATOM 0 HG21 THR A 33 0.895 3.636 -9.721 1.00 0.52 H new ATOM 0 HG22 THR A 33 0.513 3.967 -8.015 1.00 0.52 H new ATOM 0 HG23 THR A 33 -0.679 4.340 -9.283 1.00 0.52 H new ATOM 502 N SER A 34 -0.963 5.867 -6.389 1.00 0.69 N ATOM 503 CA SER A 34 -2.113 5.428 -5.618 1.00 0.86 C ATOM 504 C SER A 34 -2.681 6.559 -4.747 1.00 1.07 C ATOM 505 O SER A 34 -3.613 6.315 -3.980 1.00 1.49 O ATOM 506 CB SER A 34 -1.722 4.212 -4.769 1.00 0.94 C ATOM 507 OG SER A 34 -2.848 3.671 -4.102 1.00 1.68 O ATOM 0 H SER A 34 -0.089 5.781 -5.871 1.00 0.69 H new ATOM 0 HA SER A 34 -2.906 5.140 -6.309 1.00 0.86 H new ATOM 0 HB2 SER A 34 -1.272 3.450 -5.405 1.00 0.94 H new ATOM 0 HB3 SER A 34 -0.968 4.503 -4.038 1.00 0.94 H new ATOM 0 HG SER A 34 -3.529 4.367 -3.993 1.00 1.68 H new ATOM 513 N GLY A 35 -2.104 7.764 -4.807 1.00 0.91 N ATOM 514 CA GLY A 35 -2.643 8.965 -4.179 1.00 1.05 C ATOM 515 C GLY A 35 -2.141 9.114 -2.749 1.00 0.80 C ATOM 516 O GLY A 35 -2.291 10.161 -2.120 1.00 0.77 O ATOM 0 H GLY A 35 -1.230 7.930 -5.306 1.00 0.91 H new ATOM 0 HA2 GLY A 35 -2.357 9.842 -4.760 1.00 1.05 H new ATOM 0 HA3 GLY A 35 -3.732 8.922 -4.182 1.00 1.05 H new ATOM 520 N LEU A 36 -1.519 8.063 -2.226 1.00 0.75 N ATOM 521 CA LEU A 36 -1.197 7.915 -0.830 1.00 0.73 C ATOM 522 C LEU A 36 -0.182 8.963 -0.379 1.00 0.72 C ATOM 523 O LEU A 36 -0.318 9.504 0.712 1.00 0.68 O ATOM 524 CB LEU A 36 -0.725 6.478 -0.604 1.00 0.76 C ATOM 525 CG LEU A 36 -1.770 5.411 -0.982 1.00 0.97 C ATOM 526 CD1 LEU A 36 -1.253 4.032 -0.565 1.00 1.44 C ATOM 527 CD2 LEU A 36 -3.135 5.654 -0.325 1.00 1.25 C ATOM 0 H LEU A 36 -1.219 7.268 -2.791 1.00 0.75 H new ATOM 0 HA LEU A 36 -2.077 8.092 -0.212 1.00 0.73 H new ATOM 0 HB2 LEU A 36 0.181 6.308 -1.186 1.00 0.76 H new ATOM 0 HB3 LEU A 36 -0.457 6.355 0.445 1.00 0.76 H new ATOM 0 HG LEU A 36 -1.914 5.468 -2.061 1.00 0.97 H new ATOM 0 HD11 LEU A 36 -1.988 3.272 -0.830 1.00 1.44 H new ATOM 0 HD12 LEU A 36 -0.315 3.824 -1.080 1.00 1.44 H new ATOM 0 HD13 LEU A 36 -1.087 4.016 0.512 1.00 1.44 H new ATOM 0 HD21 LEU A 36 -3.829 4.871 -0.628 1.00 1.25 H new ATOM 0 HD22 LEU A 36 -3.024 5.641 0.759 1.00 1.25 H new ATOM 0 HD23 LEU A 36 -3.522 6.623 -0.638 1.00 1.25 H new ATOM 539 N SER A 37 0.802 9.300 -1.217 1.00 0.79 N ATOM 540 CA SER A 37 1.740 10.373 -0.895 1.00 0.87 C ATOM 541 C SER A 37 1.074 11.747 -0.942 1.00 0.83 C ATOM 542 O SER A 37 1.607 12.709 -0.395 1.00 0.88 O ATOM 543 CB SER A 37 2.931 10.356 -1.854 1.00 1.09 C ATOM 544 OG SER A 37 3.577 9.107 -1.798 1.00 3.03 O ATOM 0 H SER A 37 0.967 8.848 -2.116 1.00 0.79 H new ATOM 0 HA SER A 37 2.087 10.195 0.123 1.00 0.87 H new ATOM 0 HB2 SER A 37 2.592 10.554 -2.871 1.00 1.09 H new ATOM 0 HB3 SER A 37 3.631 11.149 -1.591 1.00 1.09 H new ATOM 0 HG SER A 37 3.894 8.943 -0.885 1.00 3.03 H new ATOM 550 N LYS A 38 -0.058 11.862 -1.641 1.00 0.82 N ATOM 551 CA LYS A 38 -0.776 13.113 -1.788 1.00 0.87 C ATOM 552 C LYS A 38 -1.724 13.275 -0.602 1.00 0.73 C ATOM 553 O LYS A 38 -1.900 14.377 -0.086 1.00 0.82 O ATOM 554 CB LYS A 38 -1.515 13.118 -3.135 1.00 1.02 C ATOM 555 CG LYS A 38 -1.040 14.292 -3.998 1.00 1.44 C ATOM 556 CD LYS A 38 -1.824 14.332 -5.315 1.00 2.31 C ATOM 557 CE LYS A 38 -1.197 15.354 -6.273 1.00 3.11 C ATOM 558 NZ LYS A 38 -1.961 15.468 -7.532 1.00 4.11 N ATOM 0 H LYS A 38 -0.499 11.078 -2.122 1.00 0.82 H new ATOM 0 HA LYS A 38 -0.092 13.962 -1.790 1.00 0.87 H new ATOM 0 HB2 LYS A 38 -1.338 12.178 -3.658 1.00 1.02 H new ATOM 0 HB3 LYS A 38 -2.590 13.192 -2.968 1.00 1.02 H new ATOM 0 HG2 LYS A 38 -1.175 15.229 -3.457 1.00 1.44 H new ATOM 0 HG3 LYS A 38 0.026 14.194 -4.204 1.00 1.44 H new ATOM 0 HD2 LYS A 38 -1.826 13.344 -5.776 1.00 2.31 H new ATOM 0 HD3 LYS A 38 -2.864 14.595 -5.120 1.00 2.31 H new ATOM 0 HE2 LYS A 38 -1.152 16.328 -5.786 1.00 3.11 H new ATOM 0 HE3 LYS A 38 -0.171 15.061 -6.496 1.00 3.11 H new ATOM 0 HZ1 LYS A 38 -1.506 16.168 -8.152 1.00 4.11 H new ATOM 0 HZ2 LYS A 38 -1.983 14.544 -8.010 1.00 4.11 H new ATOM 0 HZ3 LYS A 38 -2.933 15.772 -7.322 1.00 4.11 H new ATOM 572 N MET A 39 -2.329 12.169 -0.166 1.00 0.59 N ATOM 573 CA MET A 39 -3.069 12.130 1.075 1.00 0.57 C ATOM 574 C MET A 39 -2.148 12.510 2.234 1.00 0.85 C ATOM 575 O MET A 39 -1.032 12.012 2.359 1.00 1.87 O ATOM 576 CB MET A 39 -3.697 10.749 1.265 1.00 0.47 C ATOM 577 CG MET A 39 -4.874 10.495 0.312 1.00 0.59 C ATOM 578 SD MET A 39 -6.437 11.360 0.660 1.00 2.12 S ATOM 579 CE MET A 39 -6.336 12.831 -0.391 1.00 3.16 C ATOM 0 H MET A 39 -2.314 11.282 -0.669 1.00 0.59 H new ATOM 0 HA MET A 39 -3.882 12.855 1.047 1.00 0.57 H new ATOM 0 HB2 MET A 39 -2.936 9.984 1.108 1.00 0.47 H new ATOM 0 HB3 MET A 39 -4.041 10.650 2.295 1.00 0.47 H new ATOM 0 HG2 MET A 39 -4.556 10.766 -0.695 1.00 0.59 H new ATOM 0 HG3 MET A 39 -5.076 9.424 0.305 1.00 0.59 H new ATOM 0 HE1 MET A 39 -6.575 13.716 0.198 1.00 3.16 H new ATOM 0 HE2 MET A 39 -5.326 12.924 -0.791 1.00 3.16 H new ATOM 0 HE3 MET A 39 -7.045 12.740 -1.214 1.00 3.16 H new ATOM 589 N SER A 40 -2.620 13.425 3.080 1.00 0.56 N ATOM 590 CA SER A 40 -1.850 13.868 4.228 1.00 0.62 C ATOM 591 C SER A 40 -1.752 12.713 5.227 1.00 0.52 C ATOM 592 O SER A 40 -2.606 11.824 5.234 1.00 0.42 O ATOM 593 CB SER A 40 -2.501 15.114 4.847 1.00 0.83 C ATOM 594 OG SER A 40 -1.528 15.961 5.429 1.00 2.16 O ATOM 0 H SER A 40 -3.533 13.870 2.987 1.00 0.56 H new ATOM 0 HA SER A 40 -0.841 14.150 3.928 1.00 0.62 H new ATOM 0 HB2 SER A 40 -3.051 15.660 4.080 1.00 0.83 H new ATOM 0 HB3 SER A 40 -3.225 14.812 5.604 1.00 0.83 H new ATOM 0 HG SER A 40 -1.967 16.748 5.814 1.00 2.16 H new ATOM 600 N ALA A 41 -0.747 12.762 6.109 1.00 0.59 N ATOM 601 CA ALA A 41 -0.527 11.778 7.164 1.00 0.57 C ATOM 602 C ALA A 41 -1.829 11.358 7.851 1.00 0.52 C ATOM 603 O ALA A 41 -2.045 10.175 8.091 1.00 0.49 O ATOM 604 CB ALA A 41 0.461 12.344 8.187 1.00 0.72 C ATOM 0 H ALA A 41 -0.050 13.507 6.105 1.00 0.59 H new ATOM 0 HA ALA A 41 -0.112 10.881 6.705 1.00 0.57 H new ATOM 0 HB1 ALA A 41 0.627 11.611 8.976 1.00 0.72 H new ATOM 0 HB2 ALA A 41 1.407 12.567 7.694 1.00 0.72 H new ATOM 0 HB3 ALA A 41 0.053 13.257 8.620 1.00 0.72 H new ATOM 610 N ASN A 42 -2.710 12.322 8.139 1.00 0.59 N ATOM 611 CA ASN A 42 -4.038 12.063 8.690 1.00 0.62 C ATOM 612 C ASN A 42 -4.805 11.037 7.850 1.00 0.51 C ATOM 613 O ASN A 42 -5.267 10.025 8.372 1.00 0.49 O ATOM 614 CB ASN A 42 -4.840 13.373 8.800 1.00 0.77 C ATOM 615 CG ASN A 42 -4.988 13.834 10.246 1.00 1.26 C ATOM 616 OD1 ASN A 42 -6.085 13.858 10.790 1.00 2.19 O ATOM 617 ND2 ASN A 42 -3.885 14.206 10.890 1.00 2.51 N ATOM 0 H ASN A 42 -2.516 13.313 7.993 1.00 0.59 H new ATOM 0 HA ASN A 42 -3.907 11.645 9.688 1.00 0.62 H new ATOM 0 HB2 ASN A 42 -4.344 14.151 8.221 1.00 0.77 H new ATOM 0 HB3 ASN A 42 -5.828 13.231 8.362 1.00 0.77 H new ATOM 0 HD21 ASN A 42 -3.941 14.520 11.859 1.00 2.51 H new ATOM 0 HD22 ASN A 42 -2.983 14.177 10.415 1.00 2.51 H new ATOM 624 N GLN A 43 -4.951 11.292 6.547 1.00 0.49 N ATOM 625 CA GLN A 43 -5.701 10.401 5.676 1.00 0.42 C ATOM 626 C GLN A 43 -4.957 9.082 5.496 1.00 0.33 C ATOM 627 O GLN A 43 -5.583 8.028 5.491 1.00 0.35 O ATOM 628 CB GLN A 43 -6.016 11.064 4.326 1.00 0.41 C ATOM 629 CG GLN A 43 -7.310 11.892 4.367 1.00 0.84 C ATOM 630 CD GLN A 43 -8.537 11.062 4.750 1.00 1.35 C ATOM 631 OE1 GLN A 43 -9.270 11.432 5.660 1.00 2.89 O ATOM 632 NE2 GLN A 43 -8.753 9.924 4.095 1.00 1.37 N ATOM 0 H GLN A 43 -4.558 12.108 6.078 1.00 0.49 H new ATOM 0 HA GLN A 43 -6.658 10.186 6.152 1.00 0.42 H new ATOM 0 HB2 GLN A 43 -5.185 11.708 4.038 1.00 0.41 H new ATOM 0 HB3 GLN A 43 -6.104 10.295 3.559 1.00 0.41 H new ATOM 0 HG2 GLN A 43 -7.191 12.707 5.081 1.00 0.84 H new ATOM 0 HG3 GLN A 43 -7.476 12.346 3.390 1.00 0.84 H new ATOM 0 HE21 GLN A 43 -8.126 9.642 3.342 1.00 1.37 H new ATOM 0 HE22 GLN A 43 -9.546 9.334 4.346 1.00 1.37 H new ATOM 641 N VAL A 44 -3.628 9.106 5.374 1.00 0.31 N ATOM 642 CA VAL A 44 -2.879 7.857 5.294 1.00 0.31 C ATOM 643 C VAL A 44 -3.138 7.024 6.560 1.00 0.33 C ATOM 644 O VAL A 44 -3.343 5.813 6.482 1.00 0.42 O ATOM 645 CB VAL A 44 -1.390 8.152 5.054 1.00 0.47 C ATOM 646 CG1 VAL A 44 -0.564 6.862 5.010 1.00 0.63 C ATOM 647 CG2 VAL A 44 -1.208 8.880 3.716 1.00 0.53 C ATOM 0 H VAL A 44 -3.063 9.954 5.330 1.00 0.31 H new ATOM 0 HA VAL A 44 -3.216 7.262 4.445 1.00 0.31 H new ATOM 0 HB VAL A 44 -1.045 8.773 5.881 1.00 0.47 H new ATOM 0 HG11 VAL A 44 0.484 7.107 4.839 1.00 0.63 H new ATOM 0 HG12 VAL A 44 -0.663 6.334 5.958 1.00 0.63 H new ATOM 0 HG13 VAL A 44 -0.925 6.226 4.201 1.00 0.63 H new ATOM 0 HG21 VAL A 44 -0.150 9.085 3.554 1.00 0.53 H new ATOM 0 HG22 VAL A 44 -1.584 8.254 2.907 1.00 0.53 H new ATOM 0 HG23 VAL A 44 -1.761 9.819 3.735 1.00 0.53 H new ATOM 657 N LYS A 45 -3.173 7.673 7.727 1.00 0.35 N ATOM 658 CA LYS A 45 -3.496 7.026 8.989 1.00 0.47 C ATOM 659 C LYS A 45 -4.939 6.508 8.988 1.00 0.55 C ATOM 660 O LYS A 45 -5.179 5.415 9.496 1.00 0.70 O ATOM 661 CB LYS A 45 -3.209 7.970 10.163 1.00 0.55 C ATOM 662 CG LYS A 45 -3.264 7.225 11.503 1.00 0.70 C ATOM 663 CD LYS A 45 -2.786 8.148 12.631 1.00 1.36 C ATOM 664 CE LYS A 45 -2.767 7.395 13.969 1.00 1.65 C ATOM 665 NZ LYS A 45 -2.218 8.223 15.063 1.00 2.56 N ATOM 0 H LYS A 45 -2.976 8.670 7.817 1.00 0.35 H new ATOM 0 HA LYS A 45 -2.854 6.154 9.113 1.00 0.47 H new ATOM 0 HB2 LYS A 45 -2.226 8.423 10.036 1.00 0.55 H new ATOM 0 HB3 LYS A 45 -3.936 8.782 10.166 1.00 0.55 H new ATOM 0 HG2 LYS A 45 -4.282 6.890 11.702 1.00 0.70 H new ATOM 0 HG3 LYS A 45 -2.638 6.334 11.460 1.00 0.70 H new ATOM 0 HD2 LYS A 45 -1.788 8.523 12.404 1.00 1.36 H new ATOM 0 HD3 LYS A 45 -3.444 9.014 12.704 1.00 1.36 H new ATOM 0 HE2 LYS A 45 -3.780 7.083 14.224 1.00 1.65 H new ATOM 0 HE3 LYS A 45 -2.171 6.488 13.866 1.00 1.65 H new ATOM 0 HZ1 LYS A 45 -2.223 7.677 15.948 1.00 2.56 H new ATOM 0 HZ2 LYS A 45 -1.242 8.500 14.833 1.00 2.56 H new ATOM 0 HZ3 LYS A 45 -2.802 9.076 15.179 1.00 2.56 H new ATOM 679 N ASP A 46 -5.893 7.263 8.434 1.00 0.52 N ATOM 680 CA ASP A 46 -7.263 6.788 8.258 1.00 0.60 C ATOM 681 C ASP A 46 -7.283 5.505 7.421 1.00 0.54 C ATOM 682 O ASP A 46 -7.632 4.440 7.929 1.00 0.62 O ATOM 683 CB ASP A 46 -8.146 7.872 7.627 1.00 0.65 C ATOM 684 CG ASP A 46 -9.512 7.312 7.261 1.00 1.70 C ATOM 685 OD1 ASP A 46 -10.228 6.922 8.207 1.00 2.30 O ATOM 686 OD2 ASP A 46 -9.794 7.264 6.044 1.00 3.23 O ATOM 0 H ASP A 46 -5.736 8.213 8.098 1.00 0.52 H new ATOM 0 HA ASP A 46 -7.673 6.560 9.242 1.00 0.60 H new ATOM 0 HB2 ASP A 46 -8.263 8.702 8.323 1.00 0.65 H new ATOM 0 HB3 ASP A 46 -7.660 8.269 6.736 1.00 0.65 H new ATOM 691 N VAL A 47 -6.872 5.591 6.149 1.00 0.49 N ATOM 692 CA VAL A 47 -6.934 4.456 5.232 1.00 0.57 C ATOM 693 C VAL A 47 -6.224 3.241 5.840 1.00 0.62 C ATOM 694 O VAL A 47 -6.771 2.136 5.849 1.00 0.70 O ATOM 695 CB VAL A 47 -6.423 4.821 3.821 1.00 0.53 C ATOM 696 CG1 VAL A 47 -7.151 6.046 3.252 1.00 0.53 C ATOM 697 CG2 VAL A 47 -4.916 5.028 3.723 1.00 0.59 C ATOM 0 H VAL A 47 -6.492 6.442 5.734 1.00 0.49 H new ATOM 0 HA VAL A 47 -7.979 4.180 5.093 1.00 0.57 H new ATOM 0 HB VAL A 47 -6.654 3.942 3.219 1.00 0.53 H new ATOM 0 HG11 VAL A 47 -6.763 6.271 2.258 1.00 0.53 H new ATOM 0 HG12 VAL A 47 -8.219 5.837 3.186 1.00 0.53 H new ATOM 0 HG13 VAL A 47 -6.989 6.902 3.907 1.00 0.53 H new ATOM 0 HG21 VAL A 47 -4.649 5.280 2.697 1.00 0.59 H new ATOM 0 HG22 VAL A 47 -4.616 5.840 4.386 1.00 0.59 H new ATOM 0 HG23 VAL A 47 -4.403 4.112 4.016 1.00 0.59 H new ATOM 707 N PHE A 48 -5.034 3.470 6.407 1.00 0.58 N ATOM 708 CA PHE A 48 -4.267 2.495 7.170 1.00 0.62 C ATOM 709 C PHE A 48 -5.145 1.646 8.099 1.00 0.60 C ATOM 710 O PHE A 48 -4.980 0.430 8.122 1.00 0.59 O ATOM 711 CB PHE A 48 -3.154 3.224 7.926 1.00 0.78 C ATOM 712 CG PHE A 48 -2.592 2.482 9.110 1.00 1.72 C ATOM 713 CD1 PHE A 48 -1.588 1.516 8.929 1.00 2.44 C ATOM 714 CD2 PHE A 48 -3.128 2.717 10.389 1.00 3.55 C ATOM 715 CE1 PHE A 48 -1.078 0.829 10.041 1.00 3.62 C ATOM 716 CE2 PHE A 48 -2.634 2.013 11.497 1.00 4.71 C ATOM 717 CZ PHE A 48 -1.591 1.093 11.320 1.00 4.43 C ATOM 0 H PHE A 48 -4.567 4.374 6.341 1.00 0.58 H new ATOM 0 HA PHE A 48 -3.820 1.782 6.477 1.00 0.62 H new ATOM 0 HB2 PHE A 48 -2.342 3.435 7.230 1.00 0.78 H new ATOM 0 HB3 PHE A 48 -3.538 4.185 8.268 1.00 0.78 H new ATOM 0 HD1 PHE A 48 -1.211 1.303 7.940 1.00 2.44 H new ATOM 0 HD2 PHE A 48 -3.920 3.440 10.518 1.00 3.55 H new ATOM 0 HE1 PHE A 48 -0.293 0.099 9.913 1.00 3.62 H new ATOM 0 HE2 PHE A 48 -3.054 2.178 12.478 1.00 4.71 H new ATOM 0 HZ PHE A 48 -1.178 0.582 12.177 1.00 4.43 H new ATOM 727 N ARG A 49 -6.089 2.250 8.837 1.00 0.66 N ATOM 728 CA ARG A 49 -6.928 1.498 9.772 1.00 0.64 C ATOM 729 C ARG A 49 -7.718 0.389 9.072 1.00 0.52 C ATOM 730 O ARG A 49 -8.060 -0.613 9.696 1.00 0.65 O ATOM 731 CB ARG A 49 -7.920 2.408 10.511 1.00 0.87 C ATOM 732 CG ARG A 49 -7.256 3.610 11.190 1.00 1.44 C ATOM 733 CD ARG A 49 -8.140 4.184 12.300 1.00 1.54 C ATOM 734 NE ARG A 49 -8.154 3.298 13.475 1.00 1.81 N ATOM 735 CZ ARG A 49 -8.795 3.559 14.626 1.00 2.26 C ATOM 736 NH1 ARG A 49 -9.548 4.660 14.730 1.00 2.69 N ATOM 737 NH2 ARG A 49 -8.674 2.722 15.663 1.00 3.02 N ATOM 0 H ARG A 49 -6.287 3.250 8.803 1.00 0.66 H new ATOM 0 HA ARG A 49 -6.240 1.052 10.490 1.00 0.64 H new ATOM 0 HB2 ARG A 49 -8.668 2.767 9.804 1.00 0.87 H new ATOM 0 HB3 ARG A 49 -8.448 1.822 11.263 1.00 0.87 H new ATOM 0 HG2 ARG A 49 -6.295 3.309 11.607 1.00 1.44 H new ATOM 0 HG3 ARG A 49 -7.053 4.383 10.448 1.00 1.44 H new ATOM 0 HD2 ARG A 49 -7.774 5.170 12.588 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -9.156 4.317 11.928 1.00 1.54 H new ATOM 0 HE ARG A 49 -7.638 2.420 13.410 1.00 1.81 H new ATOM 0 HH11 ARG A 49 -9.633 5.296 13.937 1.00 2.69 H new ATOM 0 HH12 ARG A 49 -10.037 4.863 15.602 1.00 2.69 H new ATOM 0 HH21 ARG A 49 -8.095 1.886 15.579 1.00 3.02 H new ATOM 0 HH22 ARG A 49 -9.161 2.920 16.537 1.00 3.02 H new ATOM 751 N PHE A 50 -8.063 0.600 7.801 1.00 0.54 N ATOM 752 CA PHE A 50 -8.839 -0.347 7.017 1.00 0.68 C ATOM 753 C PHE A 50 -7.923 -1.480 6.527 1.00 0.64 C ATOM 754 O PHE A 50 -8.331 -2.647 6.488 1.00 0.83 O ATOM 755 CB PHE A 50 -9.552 0.413 5.883 1.00 0.82 C ATOM 756 CG PHE A 50 -10.911 -0.149 5.506 1.00 1.66 C ATOM 757 CD1 PHE A 50 -10.991 -1.353 4.791 1.00 3.20 C ATOM 758 CD2 PHE A 50 -12.096 0.514 5.882 1.00 2.18 C ATOM 759 CE1 PHE A 50 -12.240 -1.913 4.469 1.00 4.13 C ATOM 760 CE2 PHE A 50 -13.346 -0.045 5.567 1.00 3.00 C ATOM 761 CZ PHE A 50 -13.420 -1.262 4.866 1.00 3.71 C ATOM 0 H PHE A 50 -7.807 1.443 7.287 1.00 0.54 H new ATOM 0 HA PHE A 50 -9.615 -0.822 7.617 1.00 0.68 H new ATOM 0 HB2 PHE A 50 -9.674 1.454 6.181 1.00 0.82 H new ATOM 0 HB3 PHE A 50 -8.913 0.407 5.000 1.00 0.82 H new ATOM 0 HD1 PHE A 50 -10.085 -1.855 4.485 1.00 3.20 H new ATOM 0 HD2 PHE A 50 -12.043 1.453 6.413 1.00 2.18 H new ATOM 0 HE1 PHE A 50 -12.292 -2.841 3.918 1.00 4.13 H new ATOM 0 HE2 PHE A 50 -14.253 0.461 5.864 1.00 3.00 H new ATOM 0 HZ PHE A 50 -14.382 -1.695 4.633 1.00 3.71 H new ATOM 771 N ILE A 51 -6.681 -1.147 6.153 1.00 0.54 N ATOM 772 CA ILE A 51 -5.612 -2.113 5.884 1.00 0.74 C ATOM 773 C ILE A 51 -5.243 -2.817 7.214 1.00 0.80 C ATOM 774 O ILE A 51 -5.864 -2.542 8.239 1.00 2.42 O ATOM 775 CB ILE A 51 -4.458 -1.406 5.120 1.00 0.91 C ATOM 776 CG1 ILE A 51 -4.885 -0.965 3.699 1.00 1.29 C ATOM 777 CG2 ILE A 51 -3.222 -2.298 4.917 1.00 1.36 C ATOM 778 CD1 ILE A 51 -5.641 0.362 3.628 1.00 1.35 C ATOM 0 H ILE A 51 -6.387 -0.179 6.027 1.00 0.54 H new ATOM 0 HA ILE A 51 -5.918 -2.916 5.214 1.00 0.74 H new ATOM 0 HB ILE A 51 -4.214 -0.554 5.754 1.00 0.91 H new ATOM 0 HG12 ILE A 51 -3.994 -0.891 3.076 1.00 1.29 H new ATOM 0 HG13 ILE A 51 -5.512 -1.745 3.267 1.00 1.29 H new ATOM 0 HG21 ILE A 51 -2.456 -1.741 4.377 1.00 1.36 H new ATOM 0 HG22 ILE A 51 -2.831 -2.605 5.887 1.00 1.36 H new ATOM 0 HG23 ILE A 51 -3.501 -3.181 4.342 1.00 1.36 H new ATOM 0 HD11 ILE A 51 -5.895 0.581 2.591 1.00 1.35 H new ATOM 0 HD12 ILE A 51 -6.555 0.292 4.218 1.00 1.35 H new ATOM 0 HD13 ILE A 51 -5.013 1.160 4.024 1.00 1.35 H new ATOM 790 N ASP A 52 -4.333 -3.807 7.199 1.00 1.66 N ATOM 791 CA ASP A 52 -3.927 -4.661 8.329 1.00 1.65 C ATOM 792 C ASP A 52 -5.012 -5.684 8.667 1.00 2.09 C ATOM 793 O ASP A 52 -4.751 -6.878 8.746 1.00 3.86 O ATOM 794 CB ASP A 52 -3.483 -3.855 9.561 1.00 1.46 C ATOM 795 CG ASP A 52 -3.210 -4.732 10.773 1.00 1.32 C ATOM 796 OD1 ASP A 52 -2.413 -5.689 10.695 1.00 2.76 O ATOM 797 OD2 ASP A 52 -3.771 -4.429 11.845 1.00 1.38 O ATOM 0 H ASP A 52 -3.830 -4.047 6.344 1.00 1.66 H new ATOM 0 HA ASP A 52 -3.044 -5.212 8.005 1.00 1.65 H new ATOM 0 HB2 ASP A 52 -2.583 -3.292 9.316 1.00 1.46 H new ATOM 0 HB3 ASP A 52 -4.255 -3.128 9.811 1.00 1.46 H new ATOM 802 N ASN A 53 -6.248 -5.223 8.841 1.00 0.76 N ATOM 803 CA ASN A 53 -7.433 -6.044 9.075 1.00 0.91 C ATOM 804 C ASN A 53 -7.519 -6.552 10.509 1.00 0.86 C ATOM 805 O ASN A 53 -8.604 -6.505 11.083 1.00 1.47 O ATOM 806 CB ASN A 53 -7.567 -7.201 8.080 1.00 1.15 C ATOM 807 CG ASN A 53 -9.008 -7.693 8.041 1.00 1.23 C ATOM 808 OD1 ASN A 53 -9.834 -7.090 7.358 1.00 1.85 O ATOM 809 ND2 ASN A 53 -9.328 -8.769 8.751 1.00 1.26 N ATOM 0 H ASN A 53 -6.460 -4.225 8.822 1.00 0.76 H new ATOM 0 HA ASN A 53 -8.279 -5.377 8.909 1.00 0.91 H new ATOM 0 HB2 ASN A 53 -7.259 -6.874 7.087 1.00 1.15 H new ATOM 0 HB3 ASN A 53 -6.904 -8.017 8.367 1.00 1.15 H new ATOM 0 HD21 ASN A 53 -10.285 -9.120 8.741 1.00 1.26 H new ATOM 0 HD22 ASN A 53 -8.616 -9.244 9.306 1.00 1.26 H new ATOM 816 N ASP A 54 -6.400 -7.000 11.098 1.00 0.95 N ATOM 817 CA ASP A 54 -6.328 -7.202 12.546 1.00 0.90 C ATOM 818 C ASP A 54 -6.873 -5.948 13.232 1.00 0.65 C ATOM 819 O ASP A 54 -7.715 -6.034 14.121 1.00 1.09 O ATOM 820 CB ASP A 54 -4.882 -7.367 13.054 1.00 1.62 C ATOM 821 CG ASP A 54 -4.106 -8.616 12.694 1.00 1.68 C ATOM 822 OD1 ASP A 54 -4.740 -9.666 12.476 1.00 2.87 O ATOM 823 OD2 ASP A 54 -2.855 -8.469 12.706 1.00 2.36 O ATOM 0 H ASP A 54 -5.542 -7.227 10.596 1.00 0.95 H new ATOM 0 HA ASP A 54 -6.894 -8.106 12.770 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -4.310 -6.512 12.695 1.00 1.62 H new ATOM 0 HB3 ASP A 54 -4.908 -7.300 14.142 1.00 1.62 H new ATOM 828 N GLN A 55 -6.313 -4.799 12.827 1.00 0.59 N ATOM 829 CA GLN A 55 -6.361 -3.487 13.459 1.00 0.93 C ATOM 830 C GLN A 55 -5.161 -3.301 14.406 1.00 1.32 C ATOM 831 O GLN A 55 -4.989 -2.232 14.988 1.00 2.17 O ATOM 832 CB GLN A 55 -7.735 -3.138 14.067 1.00 0.98 C ATOM 833 CG GLN A 55 -7.843 -3.419 15.577 1.00 2.43 C ATOM 834 CD GLN A 55 -9.283 -3.486 16.078 1.00 2.89 C ATOM 835 OE1 GLN A 55 -9.578 -4.189 17.038 1.00 4.33 O ATOM 836 NE2 GLN A 55 -10.200 -2.742 15.462 1.00 2.46 N ATOM 0 H GLN A 55 -5.765 -4.770 11.967 1.00 0.59 H new ATOM 0 HA GLN A 55 -6.254 -2.735 12.677 1.00 0.93 H new ATOM 0 HB2 GLN A 55 -7.942 -2.083 13.889 1.00 0.98 H new ATOM 0 HB3 GLN A 55 -8.506 -3.706 13.546 1.00 0.98 H new ATOM 0 HG2 GLN A 55 -7.344 -4.362 15.800 1.00 2.43 H new ATOM 0 HG3 GLN A 55 -7.312 -2.640 16.123 1.00 2.43 H new ATOM 0 HE21 GLN A 55 -9.936 -2.163 14.665 1.00 2.46 H new ATOM 0 HE22 GLN A 55 -11.167 -2.751 15.788 1.00 2.46 H new ATOM 845 N SER A 56 -4.321 -4.339 14.528 1.00 1.05 N ATOM 846 CA SER A 56 -3.017 -4.337 15.172 1.00 1.33 C ATOM 847 C SER A 56 -2.183 -3.139 14.731 1.00 1.61 C ATOM 848 O SER A 56 -1.460 -2.547 15.528 1.00 2.17 O ATOM 849 CB SER A 56 -2.278 -5.644 14.817 1.00 1.24 C ATOM 850 OG SER A 56 -1.946 -5.743 13.432 1.00 1.02 O ATOM 0 H SER A 56 -4.558 -5.257 14.152 1.00 1.05 H new ATOM 0 HA SER A 56 -3.162 -4.267 16.250 1.00 1.33 H new ATOM 0 HB2 SER A 56 -1.365 -5.710 15.409 1.00 1.24 H new ATOM 0 HB3 SER A 56 -2.901 -6.494 15.096 1.00 1.24 H new ATOM 0 HG SER A 56 -2.182 -6.635 13.102 1.00 1.02 H new ATOM 856 N GLY A 57 -2.232 -2.837 13.434 1.00 1.55 N ATOM 857 CA GLY A 57 -1.429 -1.804 12.819 1.00 2.15 C ATOM 858 C GLY A 57 -0.057 -2.302 12.366 1.00 1.72 C ATOM 859 O GLY A 57 0.609 -1.621 11.590 1.00 2.51 O ATOM 0 H GLY A 57 -2.846 -3.318 12.777 1.00 1.55 H new ATOM 0 HA2 GLY A 57 -1.964 -1.399 11.960 1.00 2.15 H new ATOM 0 HA3 GLY A 57 -1.297 -0.985 13.526 1.00 2.15 H new ATOM 863 N TYR A 58 0.369 -3.485 12.819 1.00 0.76 N ATOM 864 CA TYR A 58 1.489 -4.189 12.219 1.00 0.64 C ATOM 865 C TYR A 58 0.985 -4.815 10.939 1.00 0.69 C ATOM 866 O TYR A 58 0.355 -5.865 11.013 1.00 1.01 O ATOM 867 CB TYR A 58 2.039 -5.254 13.177 1.00 0.80 C ATOM 868 CG TYR A 58 2.968 -4.715 14.245 1.00 0.91 C ATOM 869 CD1 TYR A 58 4.230 -4.212 13.876 1.00 1.70 C ATOM 870 CD2 TYR A 58 2.623 -4.804 15.606 1.00 2.22 C ATOM 871 CE1 TYR A 58 5.150 -3.817 14.861 1.00 1.83 C ATOM 872 CE2 TYR A 58 3.546 -4.411 16.592 1.00 2.38 C ATOM 873 CZ TYR A 58 4.808 -3.920 16.221 1.00 1.41 C ATOM 874 OH TYR A 58 5.707 -3.571 17.183 1.00 1.74 O ATOM 0 H TYR A 58 -0.055 -3.973 13.608 1.00 0.76 H new ATOM 0 HA TYR A 58 2.310 -3.503 12.009 1.00 0.64 H new ATOM 0 HB2 TYR A 58 1.202 -5.757 13.661 1.00 0.80 H new ATOM 0 HB3 TYR A 58 2.571 -6.008 12.596 1.00 0.80 H new ATOM 0 HD1 TYR A 58 4.492 -4.130 12.831 1.00 1.70 H new ATOM 0 HD2 TYR A 58 1.650 -5.174 15.894 1.00 2.22 H new ATOM 0 HE1 TYR A 58 6.119 -3.435 14.574 1.00 1.83 H new ATOM 0 HE2 TYR A 58 3.283 -4.487 17.637 1.00 2.38 H new ATOM 0 HH TYR A 58 5.307 -3.703 18.068 1.00 1.74 H new ATOM 884 N LEU A 59 1.273 -4.190 9.796 1.00 0.62 N ATOM 885 CA LEU A 59 1.175 -4.839 8.503 1.00 0.57 C ATOM 886 C LEU A 59 2.289 -5.881 8.466 1.00 0.54 C ATOM 887 O LEU A 59 3.421 -5.608 8.064 1.00 0.70 O ATOM 888 CB LEU A 59 1.295 -3.840 7.345 1.00 0.65 C ATOM 889 CG LEU A 59 0.021 -3.013 7.106 1.00 0.79 C ATOM 890 CD1 LEU A 59 -0.215 -1.967 8.198 1.00 2.32 C ATOM 891 CD2 LEU A 59 0.149 -2.304 5.754 1.00 2.75 C ATOM 0 H LEU A 59 1.580 -3.219 9.749 1.00 0.62 H new ATOM 0 HA LEU A 59 0.197 -5.303 8.377 1.00 0.57 H new ATOM 0 HB2 LEU A 59 2.125 -3.162 7.546 1.00 0.65 H new ATOM 0 HB3 LEU A 59 1.541 -4.383 6.433 1.00 0.65 H new ATOM 0 HG LEU A 59 -0.829 -3.695 7.121 1.00 0.79 H new ATOM 0 HD11 LEU A 59 -1.127 -1.412 7.979 1.00 2.32 H new ATOM 0 HD12 LEU A 59 -0.315 -2.464 9.163 1.00 2.32 H new ATOM 0 HD13 LEU A 59 0.629 -1.278 8.231 1.00 2.32 H new ATOM 0 HD21 LEU A 59 -0.747 -1.712 5.567 1.00 2.75 H new ATOM 0 HD22 LEU A 59 1.020 -1.649 5.768 1.00 2.75 H new ATOM 0 HD23 LEU A 59 0.265 -3.046 4.964 1.00 2.75 H new ATOM 903 N ASP A 60 1.947 -7.065 8.963 1.00 0.58 N ATOM 904 CA ASP A 60 2.722 -8.284 8.825 1.00 0.63 C ATOM 905 C ASP A 60 2.714 -8.701 7.340 1.00 0.58 C ATOM 906 O ASP A 60 1.772 -8.376 6.618 1.00 0.56 O ATOM 907 CB ASP A 60 2.111 -9.367 9.737 1.00 0.73 C ATOM 908 CG ASP A 60 1.874 -8.903 11.179 1.00 0.93 C ATOM 909 OD1 ASP A 60 2.877 -8.872 11.925 1.00 1.47 O ATOM 910 OD2 ASP A 60 0.704 -8.579 11.522 1.00 1.39 O ATOM 0 H ASP A 60 1.087 -7.203 9.494 1.00 0.58 H new ATOM 0 HA ASP A 60 3.758 -8.137 9.131 1.00 0.63 H new ATOM 0 HB2 ASP A 60 1.163 -9.695 9.311 1.00 0.73 H new ATOM 0 HB3 ASP A 60 2.772 -10.234 9.748 1.00 0.73 H new ATOM 915 N GLU A 61 3.749 -9.405 6.858 1.00 0.66 N ATOM 916 CA GLU A 61 3.926 -9.734 5.446 1.00 0.68 C ATOM 917 C GLU A 61 2.645 -10.267 4.790 1.00 0.64 C ATOM 918 O GLU A 61 2.152 -9.703 3.812 1.00 0.62 O ATOM 919 CB GLU A 61 5.116 -10.690 5.317 1.00 0.86 C ATOM 920 CG GLU A 61 5.785 -10.576 3.944 1.00 1.65 C ATOM 921 CD GLU A 61 5.351 -11.638 2.938 1.00 2.89 C ATOM 922 OE1 GLU A 61 4.265 -12.220 3.149 1.00 3.76 O ATOM 923 OE2 GLU A 61 6.123 -11.846 1.978 1.00 3.75 O ATOM 0 H GLU A 61 4.496 -9.765 7.452 1.00 0.66 H new ATOM 0 HA GLU A 61 4.145 -8.822 4.890 1.00 0.68 H new ATOM 0 HB2 GLU A 61 5.845 -10.471 6.097 1.00 0.86 H new ATOM 0 HB3 GLU A 61 4.779 -11.715 5.474 1.00 0.86 H new ATOM 0 HG2 GLU A 61 5.569 -9.591 3.529 1.00 1.65 H new ATOM 0 HG3 GLU A 61 6.865 -10.637 4.074 1.00 1.65 H new ATOM 930 N GLU A 62 2.052 -11.304 5.384 1.00 0.75 N ATOM 931 CA GLU A 62 0.829 -11.917 4.886 1.00 0.81 C ATOM 932 C GLU A 62 -0.315 -10.902 4.725 1.00 0.77 C ATOM 933 O GLU A 62 -1.159 -11.071 3.851 1.00 0.84 O ATOM 934 CB GLU A 62 0.479 -13.128 5.772 1.00 1.02 C ATOM 935 CG GLU A 62 -0.912 -13.731 5.511 1.00 1.39 C ATOM 936 CD GLU A 62 -0.929 -15.249 5.630 1.00 1.90 C ATOM 937 OE1 GLU A 62 -0.354 -15.761 6.611 1.00 2.51 O ATOM 938 OE2 GLU A 62 -1.502 -15.870 4.705 1.00 3.17 O ATOM 0 H GLU A 62 2.414 -11.742 6.231 1.00 0.75 H new ATOM 0 HA GLU A 62 0.992 -12.285 3.873 1.00 0.81 H new ATOM 0 HB2 GLU A 62 1.231 -13.902 5.620 1.00 1.02 H new ATOM 0 HB3 GLU A 62 0.539 -12.826 6.818 1.00 1.02 H new ATOM 0 HG2 GLU A 62 -1.625 -13.308 6.218 1.00 1.39 H new ATOM 0 HG3 GLU A 62 -1.245 -13.446 4.513 1.00 1.39 H new ATOM 945 N GLU A 63 -0.356 -9.815 5.490 1.00 0.77 N ATOM 946 CA GLU A 63 -1.404 -8.817 5.308 1.00 0.79 C ATOM 947 C GLU A 63 -1.148 -7.975 4.067 1.00 0.65 C ATOM 948 O GLU A 63 -2.082 -7.515 3.411 1.00 0.67 O ATOM 949 CB GLU A 63 -1.504 -7.962 6.560 1.00 0.93 C ATOM 950 CG GLU A 63 -1.998 -8.887 7.671 1.00 1.58 C ATOM 951 CD GLU A 63 -1.716 -8.330 9.028 1.00 1.18 C ATOM 952 OE1 GLU A 63 -0.724 -7.601 9.232 1.00 2.01 O ATOM 953 OE2 GLU A 63 -2.447 -8.658 9.975 1.00 1.89 O ATOM 0 H GLU A 63 0.313 -9.605 6.231 1.00 0.77 H new ATOM 0 HA GLU A 63 -2.359 -9.319 5.153 1.00 0.79 H new ATOM 0 HB2 GLU A 63 -0.536 -7.530 6.815 1.00 0.93 H new ATOM 0 HB3 GLU A 63 -2.194 -7.131 6.410 1.00 0.93 H new ATOM 0 HG2 GLU A 63 -3.071 -9.047 7.560 1.00 1.58 H new ATOM 0 HG3 GLU A 63 -1.519 -9.861 7.572 1.00 1.58 H new ATOM 960 N LEU A 64 0.121 -7.798 3.702 1.00 0.64 N ATOM 961 CA LEU A 64 0.455 -7.137 2.456 1.00 0.66 C ATOM 962 C LEU A 64 0.003 -7.985 1.260 1.00 0.66 C ATOM 963 O LEU A 64 -0.244 -7.428 0.190 1.00 0.97 O ATOM 964 CB LEU A 64 1.941 -6.767 2.428 1.00 0.77 C ATOM 965 CG LEU A 64 2.284 -5.734 3.518 1.00 1.26 C ATOM 966 CD1 LEU A 64 3.766 -5.813 3.878 1.00 2.36 C ATOM 967 CD2 LEU A 64 1.995 -4.319 3.016 1.00 1.93 C ATOM 0 H LEU A 64 0.924 -8.103 4.251 1.00 0.64 H new ATOM 0 HA LEU A 64 -0.091 -6.197 2.380 1.00 0.66 H new ATOM 0 HB2 LEU A 64 2.544 -7.664 2.572 1.00 0.77 H new ATOM 0 HB3 LEU A 64 2.199 -6.364 1.449 1.00 0.77 H new ATOM 0 HG LEU A 64 1.673 -5.956 4.393 1.00 1.26 H new ATOM 0 HD11 LEU A 64 3.993 -5.077 4.649 1.00 2.36 H new ATOM 0 HD12 LEU A 64 3.997 -6.811 4.250 1.00 2.36 H new ATOM 0 HD13 LEU A 64 4.367 -5.607 2.992 1.00 2.36 H new ATOM 0 HD21 LEU A 64 2.242 -3.599 3.796 1.00 1.93 H new ATOM 0 HD22 LEU A 64 2.598 -4.117 2.131 1.00 1.93 H new ATOM 0 HD23 LEU A 64 0.939 -4.232 2.762 1.00 1.93 H new ATOM 979 N LYS A 65 -0.210 -9.297 1.449 1.00 0.61 N ATOM 980 CA LYS A 65 -0.878 -10.153 0.466 1.00 0.68 C ATOM 981 C LYS A 65 -2.336 -9.727 0.234 1.00 0.67 C ATOM 982 O LYS A 65 -2.982 -10.276 -0.655 1.00 0.93 O ATOM 983 CB LYS A 65 -0.808 -11.629 0.900 1.00 0.86 C ATOM 984 CG LYS A 65 -1.222 -12.655 -0.170 1.00 1.17 C ATOM 985 CD LYS A 65 -1.034 -14.111 0.295 1.00 1.45 C ATOM 986 CE LYS A 65 -1.518 -14.324 1.740 1.00 1.69 C ATOM 987 NZ LYS A 65 -1.656 -15.746 2.110 1.00 2.14 N ATOM 0 H LYS A 65 0.079 -9.792 2.293 1.00 0.61 H new ATOM 0 HA LYS A 65 -0.350 -10.039 -0.481 1.00 0.68 H new ATOM 0 HB2 LYS A 65 0.212 -11.849 1.214 1.00 0.86 H new ATOM 0 HB3 LYS A 65 -1.446 -11.763 1.773 1.00 0.86 H new ATOM 0 HG2 LYS A 65 -2.267 -12.495 -0.435 1.00 1.17 H new ATOM 0 HG3 LYS A 65 -0.635 -12.488 -1.073 1.00 1.17 H new ATOM 0 HD2 LYS A 65 -1.581 -14.778 -0.372 1.00 1.45 H new ATOM 0 HD3 LYS A 65 0.019 -14.381 0.222 1.00 1.45 H new ATOM 0 HE2 LYS A 65 -0.817 -13.845 2.424 1.00 1.69 H new ATOM 0 HE3 LYS A 65 -2.480 -13.828 1.870 1.00 1.69 H new ATOM 0 HZ1 LYS A 65 -1.302 -15.889 3.077 1.00 2.14 H new ATOM 0 HZ2 LYS A 65 -2.658 -16.021 2.064 1.00 2.14 H new ATOM 0 HZ3 LYS A 65 -1.105 -16.331 1.450 1.00 2.14 H new ATOM 1001 N PHE A 66 -2.886 -8.772 0.997 1.00 0.61 N ATOM 1002 CA PHE A 66 -4.175 -8.171 0.680 1.00 0.74 C ATOM 1003 C PHE A 66 -4.164 -6.645 0.825 1.00 0.83 C ATOM 1004 O PHE A 66 -5.202 -6.052 1.117 1.00 1.15 O ATOM 1005 CB PHE A 66 -5.298 -8.853 1.479 1.00 0.92 C ATOM 1006 CG PHE A 66 -5.090 -8.981 2.980 1.00 1.96 C ATOM 1007 CD1 PHE A 66 -5.299 -7.877 3.829 1.00 3.69 C ATOM 1008 CD2 PHE A 66 -4.811 -10.242 3.539 1.00 2.49 C ATOM 1009 CE1 PHE A 66 -5.279 -8.046 5.224 1.00 5.19 C ATOM 1010 CE2 PHE A 66 -4.852 -10.422 4.932 1.00 4.02 C ATOM 1011 CZ PHE A 66 -5.129 -9.330 5.772 1.00 5.20 C ATOM 0 H PHE A 66 -2.450 -8.402 1.842 1.00 0.61 H new ATOM 0 HA PHE A 66 -4.380 -8.348 -0.376 1.00 0.74 H new ATOM 0 HB2 PHE A 66 -6.221 -8.298 1.310 1.00 0.92 H new ATOM 0 HB3 PHE A 66 -5.447 -9.852 1.070 1.00 0.92 H new ATOM 0 HD1 PHE A 66 -5.475 -6.898 3.407 1.00 3.69 H new ATOM 0 HD2 PHE A 66 -4.565 -11.074 2.896 1.00 2.49 H new ATOM 0 HE1 PHE A 66 -5.379 -7.189 5.874 1.00 5.19 H new ATOM 0 HE2 PHE A 66 -4.671 -11.398 5.357 1.00 4.02 H new ATOM 0 HZ PHE A 66 -5.226 -9.478 6.837 1.00 5.20 H new ATOM 1021 N PHE A 67 -3.017 -6.002 0.572 1.00 0.73 N ATOM 1022 CA PHE A 67 -2.855 -4.554 0.705 1.00 0.86 C ATOM 1023 C PHE A 67 -3.954 -3.772 -0.039 1.00 0.82 C ATOM 1024 O PHE A 67 -4.827 -3.176 0.592 1.00 1.03 O ATOM 1025 CB PHE A 67 -1.432 -4.165 0.274 1.00 0.97 C ATOM 1026 CG PHE A 67 -1.136 -2.679 0.285 1.00 1.05 C ATOM 1027 CD1 PHE A 67 -0.776 -2.041 1.485 1.00 1.87 C ATOM 1028 CD2 PHE A 67 -1.146 -1.951 -0.920 1.00 2.20 C ATOM 1029 CE1 PHE A 67 -0.396 -0.688 1.479 1.00 2.11 C ATOM 1030 CE2 PHE A 67 -0.791 -0.592 -0.922 1.00 2.21 C ATOM 1031 CZ PHE A 67 -0.405 0.037 0.274 1.00 1.44 C ATOM 0 H PHE A 67 -2.169 -6.480 0.266 1.00 0.73 H new ATOM 0 HA PHE A 67 -2.980 -4.274 1.751 1.00 0.86 H new ATOM 0 HB2 PHE A 67 -0.721 -4.665 0.932 1.00 0.97 H new ATOM 0 HB3 PHE A 67 -1.258 -4.546 -0.732 1.00 0.97 H new ATOM 0 HD1 PHE A 67 -0.792 -2.592 2.414 1.00 1.87 H new ATOM 0 HD2 PHE A 67 -1.427 -2.437 -1.843 1.00 2.20 H new ATOM 0 HE1 PHE A 67 -0.098 -0.206 2.398 1.00 2.11 H new ATOM 0 HE2 PHE A 67 -0.815 -0.030 -1.844 1.00 2.21 H new ATOM 0 HZ PHE A 67 -0.115 1.077 0.268 1.00 1.44 H new ATOM 1041 N LEU A 68 -3.947 -3.771 -1.374 1.00 0.70 N ATOM 1042 CA LEU A 68 -4.938 -3.060 -2.182 1.00 0.70 C ATOM 1043 C LEU A 68 -6.265 -3.825 -2.251 1.00 0.71 C ATOM 1044 O LEU A 68 -7.317 -3.239 -2.522 1.00 0.86 O ATOM 1045 CB LEU A 68 -4.391 -2.828 -3.596 1.00 0.84 C ATOM 1046 CG LEU A 68 -4.768 -1.446 -4.148 1.00 1.66 C ATOM 1047 CD1 LEU A 68 -3.884 -0.364 -3.510 1.00 2.49 C ATOM 1048 CD2 LEU A 68 -4.571 -1.451 -5.667 1.00 2.25 C ATOM 0 H LEU A 68 -3.248 -4.267 -1.927 1.00 0.70 H new ATOM 0 HA LEU A 68 -5.132 -2.100 -1.704 1.00 0.70 H new ATOM 0 HB2 LEU A 68 -3.306 -2.928 -3.584 1.00 0.84 H new ATOM 0 HB3 LEU A 68 -4.775 -3.600 -4.263 1.00 0.84 H new ATOM 0 HG LEU A 68 -5.809 -1.228 -3.910 1.00 1.66 H new ATOM 0 HD11 LEU A 68 -4.160 0.612 -3.908 1.00 2.49 H new ATOM 0 HD12 LEU A 68 -4.026 -0.368 -2.429 1.00 2.49 H new ATOM 0 HD13 LEU A 68 -2.838 -0.567 -3.739 1.00 2.49 H new ATOM 0 HD21 LEU A 68 -4.836 -0.474 -6.071 1.00 2.25 H new ATOM 0 HD22 LEU A 68 -3.528 -1.669 -5.898 1.00 2.25 H new ATOM 0 HD23 LEU A 68 -5.209 -2.214 -6.114 1.00 2.25 H new ATOM 1060 N GLN A 69 -6.220 -5.132 -1.974 1.00 0.68 N ATOM 1061 CA GLN A 69 -7.386 -6.004 -1.900 1.00 0.65 C ATOM 1062 C GLN A 69 -8.367 -5.527 -0.814 1.00 0.80 C ATOM 1063 O GLN A 69 -9.496 -6.002 -0.727 1.00 1.22 O ATOM 1064 CB GLN A 69 -6.944 -7.450 -1.618 1.00 0.72 C ATOM 1065 CG GLN A 69 -7.492 -8.480 -2.611 1.00 1.16 C ATOM 1066 CD GLN A 69 -6.617 -8.629 -3.850 1.00 1.30 C ATOM 1067 OE1 GLN A 69 -5.909 -9.618 -4.003 1.00 2.40 O ATOM 1068 NE2 GLN A 69 -6.626 -7.647 -4.743 1.00 1.99 N ATOM 0 H GLN A 69 -5.344 -5.622 -1.791 1.00 0.68 H new ATOM 0 HA GLN A 69 -7.901 -5.967 -2.860 1.00 0.65 H new ATOM 0 HB2 GLN A 69 -5.855 -7.494 -1.630 1.00 0.72 H new ATOM 0 HB3 GLN A 69 -7.263 -7.726 -0.613 1.00 0.72 H new ATOM 0 HG2 GLN A 69 -7.578 -9.446 -2.114 1.00 1.16 H new ATOM 0 HG3 GLN A 69 -8.497 -8.187 -2.915 1.00 1.16 H new ATOM 0 HE21 GLN A 69 -7.222 -6.832 -4.599 1.00 1.99 H new ATOM 0 HE22 GLN A 69 -6.037 -7.708 -5.574 1.00 1.99 H new ATOM 1077 N LYS A 70 -7.937 -4.611 0.058 1.00 0.86 N ATOM 1078 CA LYS A 70 -8.835 -3.950 0.984 1.00 1.10 C ATOM 1079 C LYS A 70 -9.839 -3.047 0.263 1.00 0.97 C ATOM 1080 O LYS A 70 -10.962 -2.876 0.736 1.00 1.37 O ATOM 1081 CB LYS A 70 -8.019 -3.143 2.001 1.00 1.42 C ATOM 1082 CG LYS A 70 -8.417 -3.587 3.400 1.00 1.43 C ATOM 1083 CD LYS A 70 -7.814 -4.955 3.743 1.00 1.04 C ATOM 1084 CE LYS A 70 -8.745 -5.770 4.649 1.00 1.38 C ATOM 1085 NZ LYS A 70 -9.287 -4.987 5.782 1.00 2.78 N ATOM 0 H LYS A 70 -6.964 -4.315 0.135 1.00 0.86 H new ATOM 0 HA LYS A 70 -9.411 -4.717 1.503 1.00 1.10 H new ATOM 0 HB2 LYS A 70 -6.952 -3.302 1.842 1.00 1.42 H new ATOM 0 HB3 LYS A 70 -8.205 -2.076 1.875 1.00 1.42 H new ATOM 0 HG2 LYS A 70 -8.083 -2.847 4.127 1.00 1.43 H new ATOM 0 HG3 LYS A 70 -9.503 -3.637 3.473 1.00 1.43 H new ATOM 0 HD2 LYS A 70 -7.622 -5.509 2.824 1.00 1.04 H new ATOM 0 HD3 LYS A 70 -6.853 -4.816 4.238 1.00 1.04 H new ATOM 0 HE2 LYS A 70 -9.572 -6.157 4.055 1.00 1.38 H new ATOM 0 HE3 LYS A 70 -8.201 -6.631 5.038 1.00 1.38 H new ATOM 0 HZ1 LYS A 70 -9.426 -5.612 6.601 1.00 2.78 H new ATOM 0 HZ2 LYS A 70 -8.618 -4.231 6.033 1.00 2.78 H new ATOM 0 HZ3 LYS A 70 -10.198 -4.566 5.509 1.00 2.78 H new ATOM 1099 N PHE A 71 -9.412 -2.429 -0.840 1.00 0.88 N ATOM 1100 CA PHE A 71 -10.252 -1.572 -1.659 1.00 1.23 C ATOM 1101 C PHE A 71 -10.910 -2.440 -2.734 1.00 1.41 C ATOM 1102 O PHE A 71 -12.135 -2.520 -2.805 1.00 1.96 O ATOM 1103 CB PHE A 71 -9.389 -0.470 -2.284 1.00 1.47 C ATOM 1104 CG PHE A 71 -10.112 0.655 -3.014 1.00 3.07 C ATOM 1105 CD1 PHE A 71 -11.510 0.651 -3.216 1.00 4.98 C ATOM 1106 CD2 PHE A 71 -9.343 1.688 -3.579 1.00 3.73 C ATOM 1107 CE1 PHE A 71 -12.101 1.585 -4.081 1.00 6.88 C ATOM 1108 CE2 PHE A 71 -9.953 2.679 -4.363 1.00 5.65 C ATOM 1109 CZ PHE A 71 -11.323 2.600 -4.655 1.00 7.08 C ATOM 0 H PHE A 71 -8.458 -2.515 -1.189 1.00 0.88 H new ATOM 0 HA PHE A 71 -11.029 -1.094 -1.062 1.00 1.23 H new ATOM 0 HB2 PHE A 71 -8.785 -0.025 -1.493 1.00 1.47 H new ATOM 0 HB3 PHE A 71 -8.700 -0.939 -2.986 1.00 1.47 H new ATOM 0 HD1 PHE A 71 -12.126 -0.073 -2.703 1.00 4.98 H new ATOM 0 HD2 PHE A 71 -8.277 1.719 -3.409 1.00 3.73 H new ATOM 0 HE1 PHE A 71 -13.156 1.522 -4.304 1.00 6.88 H new ATOM 0 HE2 PHE A 71 -9.367 3.503 -4.742 1.00 5.65 H new ATOM 0 HZ PHE A 71 -11.777 3.319 -5.320 1.00 7.08 H new ATOM 1119 N GLU A 72 -10.079 -3.045 -3.586 1.00 1.10 N ATOM 1120 CA GLU A 72 -10.501 -3.746 -4.793 1.00 1.22 C ATOM 1121 C GLU A 72 -10.420 -5.257 -4.530 1.00 1.34 C ATOM 1122 O GLU A 72 -10.100 -5.650 -3.416 1.00 2.47 O ATOM 1123 CB GLU A 72 -9.601 -3.232 -5.938 1.00 1.21 C ATOM 1124 CG GLU A 72 -10.257 -3.204 -7.327 1.00 1.39 C ATOM 1125 CD GLU A 72 -9.881 -4.423 -8.139 1.00 2.22 C ATOM 1126 OE1 GLU A 72 -8.789 -4.412 -8.734 1.00 3.17 O ATOM 1127 OE2 GLU A 72 -10.656 -5.400 -8.063 1.00 3.58 O ATOM 0 H GLU A 72 -9.068 -3.059 -3.449 1.00 1.10 H new ATOM 0 HA GLU A 72 -11.535 -3.556 -5.081 1.00 1.22 H new ATOM 0 HB2 GLU A 72 -9.268 -2.224 -5.691 1.00 1.21 H new ATOM 0 HB3 GLU A 72 -8.711 -3.859 -5.987 1.00 1.21 H new ATOM 0 HG2 GLU A 72 -11.341 -3.157 -7.218 1.00 1.39 H new ATOM 0 HG3 GLU A 72 -9.951 -2.303 -7.858 1.00 1.39 H new ATOM 1134 N SER A 73 -10.694 -6.112 -5.513 1.00 1.00 N ATOM 1135 CA SER A 73 -10.689 -7.566 -5.346 1.00 1.00 C ATOM 1136 C SER A 73 -9.765 -8.296 -6.329 1.00 1.04 C ATOM 1137 O SER A 73 -9.462 -9.468 -6.106 1.00 2.02 O ATOM 1138 CB SER A 73 -12.121 -8.099 -5.438 1.00 1.33 C ATOM 1139 OG SER A 73 -12.903 -7.540 -4.398 1.00 2.34 O ATOM 0 H SER A 73 -10.929 -5.812 -6.459 1.00 1.00 H new ATOM 0 HA SER A 73 -10.280 -7.772 -4.357 1.00 1.00 H new ATOM 0 HB2 SER A 73 -12.552 -7.847 -6.407 1.00 1.33 H new ATOM 0 HB3 SER A 73 -12.121 -9.186 -5.362 1.00 1.33 H new ATOM 0 HG SER A 73 -13.820 -7.881 -4.459 1.00 2.34 H new ATOM 1145 N GLY A 74 -9.322 -7.638 -7.402 1.00 1.03 N ATOM 1146 CA GLY A 74 -8.505 -8.215 -8.462 1.00 1.15 C ATOM 1147 C GLY A 74 -7.308 -7.324 -8.776 1.00 1.08 C ATOM 1148 O GLY A 74 -6.917 -7.193 -9.935 1.00 1.28 O ATOM 0 H GLY A 74 -9.532 -6.652 -7.559 1.00 1.03 H new ATOM 0 HA2 GLY A 74 -8.158 -9.204 -8.161 1.00 1.15 H new ATOM 0 HA3 GLY A 74 -9.109 -8.349 -9.360 1.00 1.15 H new ATOM 1152 N ALA A 75 -6.712 -6.750 -7.725 1.00 0.90 N ATOM 1153 CA ALA A 75 -5.483 -5.973 -7.805 1.00 0.88 C ATOM 1154 C ALA A 75 -4.273 -6.906 -7.996 1.00 1.01 C ATOM 1155 O ALA A 75 -4.322 -7.813 -8.825 1.00 1.72 O ATOM 1156 CB ALA A 75 -5.385 -5.047 -6.583 1.00 0.81 C ATOM 0 H ALA A 75 -7.083 -6.818 -6.777 1.00 0.90 H new ATOM 0 HA ALA A 75 -5.490 -5.325 -8.682 1.00 0.88 H new ATOM 0 HB1 ALA A 75 -4.466 -4.464 -6.641 1.00 0.81 H new ATOM 0 HB2 ALA A 75 -6.241 -4.373 -6.568 1.00 0.81 H new ATOM 0 HB3 ALA A 75 -5.378 -5.646 -5.672 1.00 0.81 H new ATOM 1162 N ARG A 76 -3.176 -6.704 -7.260 1.00 0.60 N ATOM 1163 CA ARG A 76 -1.896 -7.356 -7.530 1.00 0.59 C ATOM 1164 C ARG A 76 -1.349 -8.128 -6.322 1.00 0.53 C ATOM 1165 O ARG A 76 -0.322 -8.790 -6.428 1.00 0.73 O ATOM 1166 CB ARG A 76 -0.904 -6.272 -7.968 1.00 0.76 C ATOM 1167 CG ARG A 76 0.316 -6.852 -8.692 1.00 0.74 C ATOM 1168 CD ARG A 76 0.131 -6.791 -10.215 1.00 0.95 C ATOM 1169 NE ARG A 76 1.185 -7.568 -10.877 1.00 1.41 N ATOM 1170 CZ ARG A 76 1.119 -8.838 -11.308 1.00 2.77 C ATOM 1171 NH1 ARG A 76 -0.050 -9.481 -11.400 1.00 3.61 N ATOM 1172 NH2 ARG A 76 2.250 -9.472 -11.625 1.00 3.90 N ATOM 0 H ARG A 76 -3.154 -6.078 -6.455 1.00 0.60 H new ATOM 0 HA ARG A 76 -2.042 -8.099 -8.314 1.00 0.59 H new ATOM 0 HB2 ARG A 76 -1.410 -5.565 -8.625 1.00 0.76 H new ATOM 0 HB3 ARG A 76 -0.572 -5.713 -7.093 1.00 0.76 H new ATOM 0 HG2 ARG A 76 1.210 -6.297 -8.408 1.00 0.74 H new ATOM 0 HG3 ARG A 76 0.470 -7.885 -8.382 1.00 0.74 H new ATOM 0 HD2 ARG A 76 -0.848 -7.184 -10.487 1.00 0.95 H new ATOM 0 HD3 ARG A 76 0.164 -5.755 -10.553 1.00 0.95 H new ATOM 0 HE ARG A 76 2.072 -7.087 -11.027 1.00 1.41 H new ATOM 0 HH11 ARG A 76 -0.915 -9.007 -11.140 1.00 3.61 H new ATOM 0 HH12 ARG A 76 -0.077 -10.446 -11.730 1.00 3.61 H new ATOM 0 HH21 ARG A 76 3.146 -8.992 -11.538 1.00 3.90 H new ATOM 0 HH22 ARG A 76 2.219 -10.437 -11.954 1.00 3.90 H new ATOM 1186 N GLU A 77 -2.020 -8.058 -5.175 1.00 0.61 N ATOM 1187 CA GLU A 77 -1.468 -8.427 -3.877 1.00 0.59 C ATOM 1188 C GLU A 77 -0.956 -9.877 -3.833 1.00 0.47 C ATOM 1189 O GLU A 77 -0.103 -10.239 -3.030 1.00 0.52 O ATOM 1190 CB GLU A 77 -2.512 -8.152 -2.792 1.00 0.72 C ATOM 1191 CG GLU A 77 -3.403 -6.916 -3.008 1.00 1.17 C ATOM 1192 CD GLU A 77 -2.711 -5.718 -3.637 1.00 2.26 C ATOM 1193 OE1 GLU A 77 -2.058 -4.975 -2.881 1.00 3.10 O ATOM 1194 OE2 GLU A 77 -2.897 -5.556 -4.863 1.00 3.12 O ATOM 0 H GLU A 77 -2.986 -7.735 -5.123 1.00 0.61 H new ATOM 0 HA GLU A 77 -0.588 -7.811 -3.692 1.00 0.59 H new ATOM 0 HB2 GLU A 77 -3.155 -9.028 -2.705 1.00 0.72 H new ATOM 0 HB3 GLU A 77 -1.995 -8.040 -1.839 1.00 0.72 H new ATOM 0 HG2 GLU A 77 -4.245 -7.201 -3.639 1.00 1.17 H new ATOM 0 HG3 GLU A 77 -3.815 -6.613 -2.045 1.00 1.17 H new ATOM 1201 N LEU A 78 -1.490 -10.712 -4.723 1.00 0.46 N ATOM 1202 CA LEU A 78 -1.058 -12.078 -4.949 1.00 0.45 C ATOM 1203 C LEU A 78 0.437 -12.155 -5.291 1.00 0.44 C ATOM 1204 O LEU A 78 1.121 -13.069 -4.837 1.00 0.52 O ATOM 1205 CB LEU A 78 -1.878 -12.741 -6.073 1.00 0.54 C ATOM 1206 CG LEU A 78 -3.361 -12.343 -6.208 1.00 0.83 C ATOM 1207 CD1 LEU A 78 -4.122 -12.394 -4.875 1.00 0.91 C ATOM 1208 CD2 LEU A 78 -3.550 -10.995 -6.931 1.00 0.96 C ATOM 0 H LEU A 78 -2.265 -10.439 -5.327 1.00 0.46 H new ATOM 0 HA LEU A 78 -1.226 -12.618 -4.017 1.00 0.45 H new ATOM 0 HB2 LEU A 78 -1.385 -12.524 -7.021 1.00 0.54 H new ATOM 0 HB3 LEU A 78 -1.832 -13.821 -5.930 1.00 0.54 H new ATOM 0 HG LEU A 78 -3.811 -13.105 -6.844 1.00 0.83 H new ATOM 0 HD11 LEU A 78 -5.160 -12.103 -5.037 1.00 0.91 H new ATOM 0 HD12 LEU A 78 -4.087 -13.407 -4.475 1.00 0.91 H new ATOM 0 HD13 LEU A 78 -3.660 -11.708 -4.166 1.00 0.91 H new ATOM 0 HD21 LEU A 78 -4.613 -10.764 -6.998 1.00 0.96 H new ATOM 0 HD22 LEU A 78 -3.042 -10.208 -6.373 1.00 0.96 H new ATOM 0 HD23 LEU A 78 -3.128 -11.058 -7.934 1.00 0.96 H new ATOM 1220 N THR A 79 0.943 -11.244 -6.134 1.00 0.45 N ATOM 1221 CA THR A 79 2.329 -11.291 -6.578 1.00 0.50 C ATOM 1222 C THR A 79 3.260 -10.902 -5.440 1.00 0.44 C ATOM 1223 O THR A 79 3.477 -9.720 -5.157 1.00 0.50 O ATOM 1224 CB THR A 79 2.592 -10.415 -7.804 1.00 0.60 C ATOM 1225 OG1 THR A 79 1.757 -10.799 -8.866 1.00 0.77 O ATOM 1226 CG2 THR A 79 4.033 -10.638 -8.293 1.00 0.83 C ATOM 0 H THR A 79 0.406 -10.467 -6.519 1.00 0.45 H new ATOM 0 HA THR A 79 2.529 -12.319 -6.879 1.00 0.50 H new ATOM 0 HB THR A 79 2.414 -9.378 -7.519 1.00 0.60 H new ATOM 0 HG1 THR A 79 2.305 -11.075 -9.630 1.00 0.77 H new ATOM 0 HG21 THR A 79 4.221 -10.014 -9.167 1.00 0.83 H new ATOM 0 HG22 THR A 79 4.732 -10.372 -7.500 1.00 0.83 H new ATOM 0 HG23 THR A 79 4.169 -11.686 -8.560 1.00 0.83 H new ATOM 1234 N GLU A 80 3.872 -11.923 -4.851 1.00 0.43 N ATOM 1235 CA GLU A 80 4.789 -11.783 -3.737 1.00 0.39 C ATOM 1236 C GLU A 80 5.893 -10.769 -4.036 1.00 0.37 C ATOM 1237 O GLU A 80 6.213 -9.955 -3.182 1.00 0.38 O ATOM 1238 CB GLU A 80 5.336 -13.150 -3.322 1.00 0.49 C ATOM 1239 CG GLU A 80 6.093 -13.873 -4.447 1.00 1.74 C ATOM 1240 CD GLU A 80 6.680 -15.188 -3.959 1.00 1.86 C ATOM 1241 OE1 GLU A 80 5.915 -16.174 -3.938 1.00 2.31 O ATOM 1242 OE2 GLU A 80 7.883 -15.169 -3.620 1.00 3.09 O ATOM 0 H GLU A 80 3.738 -12.891 -5.145 1.00 0.43 H new ATOM 0 HA GLU A 80 4.239 -11.381 -2.886 1.00 0.39 H new ATOM 0 HB2 GLU A 80 6.003 -13.022 -2.469 1.00 0.49 H new ATOM 0 HB3 GLU A 80 4.509 -13.778 -2.989 1.00 0.49 H new ATOM 0 HG2 GLU A 80 5.417 -14.061 -5.281 1.00 1.74 H new ATOM 0 HG3 GLU A 80 6.891 -13.232 -4.822 1.00 1.74 H new ATOM 1249 N SER A 81 6.467 -10.772 -5.244 1.00 0.40 N ATOM 1250 CA SER A 81 7.484 -9.798 -5.616 1.00 0.47 C ATOM 1251 C SER A 81 6.983 -8.357 -5.488 1.00 0.44 C ATOM 1252 O SER A 81 7.715 -7.467 -5.057 1.00 0.53 O ATOM 1253 CB SER A 81 7.966 -10.035 -7.044 1.00 0.57 C ATOM 1254 OG SER A 81 8.560 -11.305 -7.199 1.00 1.24 O ATOM 0 H SER A 81 6.240 -11.442 -5.978 1.00 0.40 H new ATOM 0 HA SER A 81 8.312 -9.935 -4.920 1.00 0.47 H new ATOM 0 HB2 SER A 81 7.124 -9.943 -7.730 1.00 0.57 H new ATOM 0 HB3 SER A 81 8.686 -9.263 -7.316 1.00 0.57 H new ATOM 0 HG SER A 81 9.255 -11.259 -7.888 1.00 1.24 H new ATOM 1260 N GLU A 82 5.739 -8.111 -5.889 1.00 0.52 N ATOM 1261 CA GLU A 82 5.205 -6.766 -5.963 1.00 0.46 C ATOM 1262 C GLU A 82 4.805 -6.324 -4.563 1.00 0.43 C ATOM 1263 O GLU A 82 5.212 -5.253 -4.109 1.00 0.49 O ATOM 1264 CB GLU A 82 4.088 -6.733 -7.010 1.00 0.50 C ATOM 1265 CG GLU A 82 4.759 -7.075 -8.351 1.00 1.06 C ATOM 1266 CD GLU A 82 3.881 -6.914 -9.570 1.00 1.40 C ATOM 1267 OE1 GLU A 82 3.223 -5.867 -9.687 1.00 2.69 O ATOM 1268 OE2 GLU A 82 3.865 -7.841 -10.410 1.00 2.12 O ATOM 0 H GLU A 82 5.081 -8.838 -6.169 1.00 0.52 H new ATOM 0 HA GLU A 82 5.942 -6.038 -6.303 1.00 0.46 H new ATOM 0 HB2 GLU A 82 3.306 -7.453 -6.770 1.00 0.50 H new ATOM 0 HB3 GLU A 82 3.617 -5.751 -7.048 1.00 0.50 H new ATOM 0 HG2 GLU A 82 5.639 -6.442 -8.471 1.00 1.06 H new ATOM 0 HG3 GLU A 82 5.111 -8.106 -8.310 1.00 1.06 H new ATOM 1275 N THR A 83 4.114 -7.210 -3.842 1.00 0.41 N ATOM 1276 CA THR A 83 3.890 -7.044 -2.416 1.00 0.42 C ATOM 1277 C THR A 83 5.207 -6.690 -1.712 1.00 0.44 C ATOM 1278 O THR A 83 5.303 -5.682 -1.008 1.00 0.49 O ATOM 1279 CB THR A 83 3.258 -8.325 -1.833 1.00 0.41 C ATOM 1280 OG1 THR A 83 1.862 -8.195 -1.905 1.00 0.55 O ATOM 1281 CG2 THR A 83 3.610 -8.618 -0.370 1.00 0.57 C ATOM 0 H THR A 83 3.699 -8.056 -4.233 1.00 0.41 H new ATOM 0 HA THR A 83 3.195 -6.221 -2.249 1.00 0.42 H new ATOM 0 HB THR A 83 3.658 -9.149 -2.424 1.00 0.41 H new ATOM 0 HG1 THR A 83 1.478 -9.006 -2.298 1.00 0.55 H new ATOM 0 HG21 THR A 83 3.118 -9.538 -0.055 1.00 0.57 H new ATOM 0 HG22 THR A 83 4.690 -8.732 -0.271 1.00 0.57 H new ATOM 0 HG23 THR A 83 3.273 -7.793 0.258 1.00 0.57 H new ATOM 1289 N LYS A 84 6.230 -7.528 -1.894 1.00 0.43 N ATOM 1290 CA LYS A 84 7.474 -7.402 -1.160 1.00 0.50 C ATOM 1291 C LYS A 84 8.270 -6.189 -1.631 1.00 0.45 C ATOM 1292 O LYS A 84 9.110 -5.720 -0.886 1.00 0.46 O ATOM 1293 CB LYS A 84 8.301 -8.700 -1.148 1.00 0.69 C ATOM 1294 CG LYS A 84 9.289 -8.786 -2.317 1.00 1.98 C ATOM 1295 CD LYS A 84 9.838 -10.203 -2.503 1.00 2.59 C ATOM 1296 CE LYS A 84 10.872 -10.206 -3.642 1.00 4.52 C ATOM 1297 NZ LYS A 84 11.169 -11.574 -4.115 1.00 5.53 N ATOM 0 H LYS A 84 6.212 -8.307 -2.553 1.00 0.43 H new ATOM 0 HA LYS A 84 7.214 -7.227 -0.116 1.00 0.50 H new ATOM 0 HB2 LYS A 84 8.850 -8.767 -0.209 1.00 0.69 H new ATOM 0 HB3 LYS A 84 7.627 -9.555 -1.185 1.00 0.69 H new ATOM 0 HG2 LYS A 84 8.794 -8.466 -3.234 1.00 1.98 H new ATOM 0 HG3 LYS A 84 10.116 -8.097 -2.144 1.00 1.98 H new ATOM 0 HD2 LYS A 84 10.299 -10.551 -1.578 1.00 2.59 H new ATOM 0 HD3 LYS A 84 9.025 -10.892 -2.733 1.00 2.59 H new ATOM 0 HE2 LYS A 84 10.498 -9.608 -4.473 1.00 4.52 H new ATOM 0 HE3 LYS A 84 11.792 -9.733 -3.298 1.00 4.52 H new ATOM 0 HZ1 LYS A 84 11.870 -11.532 -4.882 1.00 5.53 H new ATOM 0 HZ2 LYS A 84 11.550 -12.138 -3.329 1.00 5.53 H new ATOM 0 HZ3 LYS A 84 10.296 -12.017 -4.467 1.00 5.53 H new ATOM 1311 N SER A 85 8.051 -5.678 -2.845 1.00 0.46 N ATOM 1312 CA SER A 85 8.611 -4.393 -3.246 1.00 0.48 C ATOM 1313 C SER A 85 8.077 -3.301 -2.313 1.00 0.45 C ATOM 1314 O SER A 85 8.859 -2.537 -1.741 1.00 0.59 O ATOM 1315 CB SER A 85 8.307 -4.097 -4.719 1.00 0.52 C ATOM 1316 OG SER A 85 9.046 -2.967 -5.140 1.00 1.93 O ATOM 0 H SER A 85 7.490 -6.136 -3.563 1.00 0.46 H new ATOM 0 HA SER A 85 9.697 -4.421 -3.156 1.00 0.48 H new ATOM 0 HB2 SER A 85 8.562 -4.960 -5.334 1.00 0.52 H new ATOM 0 HB3 SER A 85 7.240 -3.916 -4.851 1.00 0.52 H new ATOM 0 HG SER A 85 8.797 -2.738 -6.060 1.00 1.93 H new ATOM 1322 N LEU A 86 6.752 -3.250 -2.107 1.00 0.37 N ATOM 1323 CA LEU A 86 6.192 -2.319 -1.134 1.00 0.37 C ATOM 1324 C LEU A 86 6.799 -2.595 0.240 1.00 0.34 C ATOM 1325 O LEU A 86 7.363 -1.682 0.847 1.00 0.39 O ATOM 1326 CB LEU A 86 4.656 -2.357 -1.099 1.00 0.47 C ATOM 1327 CG LEU A 86 4.100 -1.200 -0.240 1.00 1.39 C ATOM 1328 CD1 LEU A 86 2.935 -0.496 -0.943 1.00 1.91 C ATOM 1329 CD2 LEU A 86 3.604 -1.690 1.123 1.00 3.03 C ATOM 0 H LEU A 86 6.068 -3.831 -2.592 1.00 0.37 H new ATOM 0 HA LEU A 86 6.454 -1.306 -1.440 1.00 0.37 H new ATOM 0 HB2 LEU A 86 4.262 -2.285 -2.113 1.00 0.47 H new ATOM 0 HB3 LEU A 86 4.320 -3.311 -0.693 1.00 0.47 H new ATOM 0 HG LEU A 86 4.927 -0.504 -0.098 1.00 1.39 H new ATOM 0 HD11 LEU A 86 2.566 0.313 -0.313 1.00 1.91 H new ATOM 0 HD12 LEU A 86 3.277 -0.088 -1.894 1.00 1.91 H new ATOM 0 HD13 LEU A 86 2.132 -1.211 -1.122 1.00 1.91 H new ATOM 0 HD21 LEU A 86 3.221 -0.845 1.696 1.00 3.03 H new ATOM 0 HD22 LEU A 86 2.809 -2.421 0.979 1.00 3.03 H new ATOM 0 HD23 LEU A 86 4.429 -2.152 1.666 1.00 3.03 H new ATOM 1341 N MET A 87 6.709 -3.848 0.712 1.00 0.32 N ATOM 1342 CA MET A 87 7.283 -4.219 2.004 1.00 0.33 C ATOM 1343 C MET A 87 8.727 -3.718 2.153 1.00 0.35 C ATOM 1344 O MET A 87 9.076 -3.082 3.139 1.00 0.46 O ATOM 1345 CB MET A 87 7.252 -5.739 2.213 1.00 0.41 C ATOM 1346 CG MET A 87 7.457 -6.092 3.696 1.00 0.65 C ATOM 1347 SD MET A 87 7.982 -7.787 4.050 1.00 1.50 S ATOM 1348 CE MET A 87 9.673 -7.755 3.410 1.00 2.69 C ATOM 0 H MET A 87 6.247 -4.612 0.219 1.00 0.32 H new ATOM 0 HA MET A 87 6.667 -3.739 2.764 1.00 0.33 H new ATOM 0 HB2 MET A 87 6.298 -6.138 1.868 1.00 0.41 H new ATOM 0 HB3 MET A 87 8.030 -6.209 1.612 1.00 0.41 H new ATOM 0 HG2 MET A 87 8.199 -5.410 4.111 1.00 0.65 H new ATOM 0 HG3 MET A 87 6.522 -5.906 4.225 1.00 0.65 H new ATOM 0 HE1 MET A 87 10.204 -8.648 3.740 1.00 2.69 H new ATOM 0 HE2 MET A 87 9.649 -7.729 2.321 1.00 2.69 H new ATOM 0 HE3 MET A 87 10.187 -6.869 3.783 1.00 2.69 H new ATOM 1358 N ALA A 88 9.570 -4.039 1.176 1.00 0.37 N ATOM 1359 CA ALA A 88 11.013 -3.870 1.195 1.00 0.46 C ATOM 1360 C ALA A 88 11.409 -2.430 1.499 1.00 0.45 C ATOM 1361 O ALA A 88 12.376 -2.202 2.219 1.00 0.55 O ATOM 1362 CB ALA A 88 11.593 -4.322 -0.152 1.00 0.57 C ATOM 0 H ALA A 88 9.242 -4.447 0.301 1.00 0.37 H new ATOM 0 HA ALA A 88 11.424 -4.487 1.994 1.00 0.46 H new ATOM 0 HB1 ALA A 88 12.676 -4.197 -0.142 1.00 0.57 H new ATOM 0 HB2 ALA A 88 11.350 -5.371 -0.319 1.00 0.57 H new ATOM 0 HB3 ALA A 88 11.165 -3.719 -0.953 1.00 0.57 H new ATOM 1368 N ALA A 89 10.687 -1.468 0.923 1.00 0.42 N ATOM 1369 CA ALA A 89 10.979 -0.055 1.113 1.00 0.44 C ATOM 1370 C ALA A 89 10.185 0.534 2.276 1.00 0.35 C ATOM 1371 O ALA A 89 10.711 1.357 3.019 1.00 0.43 O ATOM 1372 CB ALA A 89 10.684 0.686 -0.182 1.00 0.59 C ATOM 0 H ALA A 89 9.888 -1.650 0.315 1.00 0.42 H new ATOM 0 HA ALA A 89 12.033 0.058 1.367 1.00 0.44 H new ATOM 0 HB1 ALA A 89 10.899 1.747 -0.052 1.00 0.59 H new ATOM 0 HB2 ALA A 89 11.308 0.285 -0.981 1.00 0.59 H new ATOM 0 HB3 ALA A 89 9.633 0.558 -0.443 1.00 0.59 H new ATOM 1378 N ALA A 90 8.909 0.157 2.424 1.00 0.29 N ATOM 1379 CA ALA A 90 8.099 0.618 3.548 1.00 0.34 C ATOM 1380 C ALA A 90 8.746 0.223 4.871 1.00 0.30 C ATOM 1381 O ALA A 90 8.730 0.993 5.831 1.00 0.36 O ATOM 1382 CB ALA A 90 6.704 0.008 3.464 1.00 0.40 C ATOM 0 H ALA A 90 8.420 -0.464 1.779 1.00 0.29 H new ATOM 0 HA ALA A 90 8.027 1.705 3.500 1.00 0.34 H new ATOM 0 HB1 ALA A 90 6.104 0.355 4.305 1.00 0.40 H new ATOM 0 HB2 ALA A 90 6.230 0.311 2.530 1.00 0.40 H new ATOM 0 HB3 ALA A 90 6.780 -1.079 3.496 1.00 0.40 H new ATOM 1388 N ASP A 91 9.292 -0.992 4.933 1.00 0.25 N ATOM 1389 CA ASP A 91 10.027 -1.424 6.098 1.00 0.27 C ATOM 1390 C ASP A 91 11.337 -0.647 6.158 1.00 0.32 C ATOM 1391 O ASP A 91 12.135 -0.712 5.226 1.00 1.02 O ATOM 1392 CB ASP A 91 10.301 -2.926 6.076 1.00 0.32 C ATOM 1393 CG ASP A 91 10.883 -3.312 7.418 1.00 0.50 C ATOM 1394 OD1 ASP A 91 12.110 -3.221 7.607 1.00 0.84 O ATOM 1395 OD2 ASP A 91 10.082 -3.653 8.313 1.00 0.84 O ATOM 0 H ASP A 91 9.234 -1.685 4.187 1.00 0.25 H new ATOM 0 HA ASP A 91 9.426 -1.226 6.985 1.00 0.27 H new ATOM 0 HB2 ASP A 91 9.381 -3.479 5.886 1.00 0.32 H new ATOM 0 HB3 ASP A 91 10.995 -3.176 5.273 1.00 0.32 H new ATOM 1400 N ASN A 92 11.551 0.091 7.245 1.00 0.92 N ATOM 1401 CA ASN A 92 12.757 0.892 7.432 1.00 1.02 C ATOM 1402 C ASN A 92 13.688 0.255 8.465 1.00 0.94 C ATOM 1403 O ASN A 92 14.643 0.898 8.894 1.00 1.19 O ATOM 1404 CB ASN A 92 12.382 2.334 7.803 1.00 1.35 C ATOM 1405 CG ASN A 92 11.883 3.122 6.594 1.00 1.46 C ATOM 1406 OD1 ASN A 92 12.621 3.929 6.035 1.00 2.87 O ATOM 1407 ND2 ASN A 92 10.646 2.902 6.167 1.00 2.23 N ATOM 0 H ASN A 92 10.892 0.150 8.021 1.00 0.92 H new ATOM 0 HA ASN A 92 13.307 0.923 6.492 1.00 1.02 H new ATOM 0 HB2 ASN A 92 11.610 2.322 8.572 1.00 1.35 H new ATOM 0 HB3 ASN A 92 13.250 2.836 8.231 1.00 1.35 H new ATOM 0 HD21 ASN A 92 10.288 3.408 5.357 1.00 2.23 H new ATOM 0 HD22 ASN A 92 10.053 2.226 6.649 1.00 2.23 H new ATOM 1414 N ASP A 93 13.444 -1.004 8.845 1.00 0.86 N ATOM 1415 CA ASP A 93 14.288 -1.726 9.792 1.00 0.82 C ATOM 1416 C ASP A 93 15.250 -2.644 9.037 1.00 0.74 C ATOM 1417 O ASP A 93 16.394 -2.835 9.442 1.00 0.97 O ATOM 1418 CB ASP A 93 13.426 -2.579 10.732 1.00 0.82 C ATOM 1419 CG ASP A 93 12.594 -1.760 11.703 1.00 0.90 C ATOM 1420 OD1 ASP A 93 13.192 -1.108 12.579 1.00 1.38 O ATOM 1421 OD2 ASP A 93 11.350 -1.837 11.561 1.00 0.71 O ATOM 0 H ASP A 93 12.653 -1.549 8.501 1.00 0.86 H new ATOM 0 HA ASP A 93 14.851 -0.997 10.376 1.00 0.82 H new ATOM 0 HB2 ASP A 93 12.762 -3.205 10.135 1.00 0.82 H new ATOM 0 HB3 ASP A 93 14.073 -3.250 11.297 1.00 0.82 H new ATOM 1426 N GLY A 94 14.745 -3.267 7.971 1.00 0.56 N ATOM 1427 CA GLY A 94 15.278 -4.492 7.414 1.00 0.60 C ATOM 1428 C GLY A 94 14.661 -5.678 8.155 1.00 0.61 C ATOM 1429 O GLY A 94 15.367 -6.650 8.420 1.00 0.82 O ATOM 0 H GLY A 94 13.932 -2.917 7.464 1.00 0.56 H new ATOM 0 HA2 GLY A 94 15.052 -4.553 6.349 1.00 0.60 H new ATOM 0 HA3 GLY A 94 16.364 -4.510 7.511 1.00 0.60 H new ATOM 1433 N ASP A 95 13.362 -5.600 8.491 1.00 0.50 N ATOM 1434 CA ASP A 95 12.654 -6.656 9.221 1.00 0.52 C ATOM 1435 C ASP A 95 11.479 -7.202 8.400 1.00 0.54 C ATOM 1436 O ASP A 95 11.459 -8.390 8.081 1.00 0.65 O ATOM 1437 CB ASP A 95 12.296 -6.216 10.659 1.00 0.48 C ATOM 1438 CG ASP A 95 10.832 -5.870 10.872 1.00 0.84 C ATOM 1439 OD1 ASP A 95 10.033 -6.826 10.935 1.00 2.47 O ATOM 1440 OD2 ASP A 95 10.503 -4.662 10.926 1.00 1.26 O ATOM 0 H ASP A 95 12.775 -4.798 8.261 1.00 0.50 H new ATOM 0 HA ASP A 95 13.326 -7.504 9.355 1.00 0.52 H new ATOM 0 HB2 ASP A 95 12.570 -7.015 11.348 1.00 0.48 H new ATOM 0 HB3 ASP A 95 12.902 -5.348 10.920 1.00 0.48 H new ATOM 1445 N GLY A 96 10.524 -6.346 8.021 1.00 0.48 N ATOM 1446 CA GLY A 96 9.367 -6.715 7.222 1.00 0.51 C ATOM 1447 C GLY A 96 8.063 -6.282 7.891 1.00 0.52 C ATOM 1448 O GLY A 96 7.139 -5.845 7.210 1.00 0.66 O ATOM 0 H GLY A 96 10.541 -5.357 8.270 1.00 0.48 H new ATOM 0 HA2 GLY A 96 9.442 -6.255 6.237 1.00 0.51 H new ATOM 0 HA3 GLY A 96 9.358 -7.794 7.070 1.00 0.51 H new ATOM 1452 N LYS A 97 7.971 -6.404 9.221 1.00 0.48 N ATOM 1453 CA LYS A 97 6.836 -5.906 9.985 1.00 0.52 C ATOM 1454 C LYS A 97 6.751 -4.395 9.780 1.00 0.49 C ATOM 1455 O LYS A 97 7.683 -3.685 10.166 1.00 0.56 O ATOM 1456 CB LYS A 97 7.043 -6.181 11.482 1.00 0.67 C ATOM 1457 CG LYS A 97 7.255 -7.653 11.851 1.00 1.50 C ATOM 1458 CD LYS A 97 5.930 -8.425 11.885 1.00 2.62 C ATOM 1459 CE LYS A 97 6.118 -9.851 12.417 1.00 3.71 C ATOM 1460 NZ LYS A 97 6.561 -9.862 13.825 1.00 3.99 N ATOM 0 H LYS A 97 8.687 -6.853 9.793 1.00 0.48 H new ATOM 0 HA LYS A 97 5.925 -6.403 9.650 1.00 0.52 H new ATOM 0 HB2 LYS A 97 7.906 -5.609 11.824 1.00 0.67 H new ATOM 0 HB3 LYS A 97 6.176 -5.807 12.027 1.00 0.67 H new ATOM 0 HG2 LYS A 97 7.928 -8.116 11.129 1.00 1.50 H new ATOM 0 HG3 LYS A 97 7.739 -7.718 12.825 1.00 1.50 H new ATOM 0 HD2 LYS A 97 5.215 -7.894 12.513 1.00 2.62 H new ATOM 0 HD3 LYS A 97 5.506 -8.464 10.882 1.00 2.62 H new ATOM 0 HE2 LYS A 97 5.179 -10.398 12.328 1.00 3.71 H new ATOM 0 HE3 LYS A 97 6.851 -10.374 11.802 1.00 3.71 H new ATOM 0 HZ1 LYS A 97 6.418 -10.811 14.227 1.00 3.99 H new ATOM 0 HZ2 LYS A 97 7.570 -9.614 13.873 1.00 3.99 H new ATOM 0 HZ3 LYS A 97 6.008 -9.169 14.368 1.00 3.99 H new ATOM 1474 N ILE A 98 5.664 -3.894 9.189 1.00 0.47 N ATOM 1475 CA ILE A 98 5.498 -2.470 8.928 1.00 0.44 C ATOM 1476 C ILE A 98 4.439 -1.906 9.866 1.00 0.49 C ATOM 1477 O ILE A 98 3.268 -2.262 9.772 1.00 0.83 O ATOM 1478 CB ILE A 98 5.174 -2.273 7.443 1.00 0.40 C ATOM 1479 CG1 ILE A 98 6.491 -2.407 6.667 1.00 0.48 C ATOM 1480 CG2 ILE A 98 4.543 -0.910 7.133 1.00 0.52 C ATOM 1481 CD1 ILE A 98 6.245 -3.053 5.314 1.00 0.50 C ATOM 0 H ILE A 98 4.878 -4.466 8.880 1.00 0.47 H new ATOM 0 HA ILE A 98 6.415 -1.917 9.129 1.00 0.44 H new ATOM 0 HB ILE A 98 4.440 -3.024 7.152 1.00 0.40 H new ATOM 0 HG12 ILE A 98 6.942 -1.424 6.531 1.00 0.48 H new ATOM 0 HG13 ILE A 98 7.199 -3.006 7.240 1.00 0.48 H new ATOM 0 HG21 ILE A 98 4.340 -0.838 6.065 1.00 0.52 H new ATOM 0 HG22 ILE A 98 3.611 -0.806 7.688 1.00 0.52 H new ATOM 0 HG23 ILE A 98 5.230 -0.116 7.426 1.00 0.52 H new ATOM 0 HD11 ILE A 98 7.189 -3.141 4.776 1.00 0.50 H new ATOM 0 HD12 ILE A 98 5.815 -4.044 5.457 1.00 0.50 H new ATOM 0 HD13 ILE A 98 5.554 -2.438 4.737 1.00 0.50 H new ATOM 1493 N GLY A 99 4.853 -1.023 10.777 1.00 0.47 N ATOM 1494 CA GLY A 99 3.916 -0.267 11.591 1.00 0.50 C ATOM 1495 C GLY A 99 3.274 0.860 10.779 1.00 0.42 C ATOM 1496 O GLY A 99 3.721 1.190 9.675 1.00 0.36 O ATOM 0 H GLY A 99 5.834 -0.818 10.965 1.00 0.47 H new ATOM 0 HA2 GLY A 99 3.142 -0.932 11.974 1.00 0.50 H new ATOM 0 HA3 GLY A 99 4.433 0.151 12.455 1.00 0.50 H new ATOM 1500 N ALA A 100 2.250 1.502 11.356 1.00 0.49 N ATOM 1501 CA ALA A 100 1.641 2.687 10.764 1.00 0.51 C ATOM 1502 C ALA A 100 2.704 3.739 10.520 1.00 0.46 C ATOM 1503 O ALA A 100 2.688 4.396 9.487 1.00 0.46 O ATOM 1504 CB ALA A 100 0.570 3.291 11.679 1.00 0.68 C ATOM 0 H ALA A 100 1.828 1.213 12.238 1.00 0.49 H new ATOM 0 HA ALA A 100 1.174 2.381 9.828 1.00 0.51 H new ATOM 0 HB1 ALA A 100 0.140 4.172 11.203 1.00 0.68 H new ATOM 0 HB2 ALA A 100 -0.214 2.555 11.857 1.00 0.68 H new ATOM 0 HB3 ALA A 100 1.022 3.576 12.629 1.00 0.68 H new ATOM 1510 N GLU A 101 3.598 3.899 11.499 1.00 0.47 N ATOM 1511 CA GLU A 101 4.646 4.897 11.469 1.00 0.47 C ATOM 1512 C GLU A 101 5.522 4.657 10.235 1.00 0.37 C ATOM 1513 O GLU A 101 5.460 5.456 9.306 1.00 0.42 O ATOM 1514 CB GLU A 101 5.383 4.919 12.821 1.00 0.57 C ATOM 1515 CG GLU A 101 5.529 6.346 13.373 1.00 1.65 C ATOM 1516 CD GLU A 101 5.773 6.357 14.878 1.00 1.77 C ATOM 1517 OE1 GLU A 101 6.366 5.374 15.372 1.00 1.95 O ATOM 1518 OE2 GLU A 101 5.318 7.332 15.515 1.00 2.75 O ATOM 0 H GLU A 101 3.606 3.326 12.343 1.00 0.47 H new ATOM 0 HA GLU A 101 4.250 5.906 11.356 1.00 0.47 H new ATOM 0 HB2 GLU A 101 4.840 4.306 13.540 1.00 0.57 H new ATOM 0 HB3 GLU A 101 6.371 4.473 12.703 1.00 0.57 H new ATOM 0 HG2 GLU A 101 6.356 6.846 12.869 1.00 1.65 H new ATOM 0 HG3 GLU A 101 4.627 6.915 13.148 1.00 1.65 H new ATOM 1525 N GLU A 102 6.207 3.507 10.162 1.00 0.33 N ATOM 1526 CA GLU A 102 6.964 3.084 8.983 1.00 0.26 C ATOM 1527 C GLU A 102 6.197 3.362 7.685 1.00 0.27 C ATOM 1528 O GLU A 102 6.723 3.982 6.757 1.00 0.30 O ATOM 1529 CB GLU A 102 7.298 1.584 9.078 1.00 0.24 C ATOM 1530 CG GLU A 102 8.556 1.321 9.913 1.00 0.65 C ATOM 1531 CD GLU A 102 8.908 -0.155 9.941 1.00 0.55 C ATOM 1532 OE1 GLU A 102 8.253 -0.951 10.647 1.00 1.13 O ATOM 1533 OE2 GLU A 102 9.860 -0.599 9.264 1.00 1.35 O ATOM 0 H GLU A 102 6.249 2.839 10.931 1.00 0.33 H new ATOM 0 HA GLU A 102 7.886 3.664 8.959 1.00 0.26 H new ATOM 0 HB2 GLU A 102 6.454 1.053 9.519 1.00 0.24 H new ATOM 0 HB3 GLU A 102 7.439 1.181 8.075 1.00 0.24 H new ATOM 0 HG2 GLU A 102 9.392 1.887 9.502 1.00 0.65 H new ATOM 0 HG3 GLU A 102 8.399 1.678 10.931 1.00 0.65 H new ATOM 1540 N PHE A 103 4.947 2.890 7.612 1.00 0.28 N ATOM 1541 CA PHE A 103 4.162 3.038 6.395 1.00 0.36 C ATOM 1542 C PHE A 103 3.991 4.517 6.041 1.00 0.40 C ATOM 1543 O PHE A 103 4.341 4.956 4.947 1.00 0.47 O ATOM 1544 CB PHE A 103 2.807 2.340 6.563 1.00 0.43 C ATOM 1545 CG PHE A 103 1.917 2.407 5.338 1.00 1.12 C ATOM 1546 CD1 PHE A 103 2.373 1.893 4.108 1.00 1.66 C ATOM 1547 CD2 PHE A 103 0.640 2.993 5.418 1.00 2.65 C ATOM 1548 CE1 PHE A 103 1.562 1.974 2.965 1.00 2.19 C ATOM 1549 CE2 PHE A 103 -0.187 3.042 4.283 1.00 3.45 C ATOM 1550 CZ PHE A 103 0.274 2.530 3.058 1.00 2.85 C ATOM 0 H PHE A 103 4.468 2.410 8.374 1.00 0.28 H new ATOM 0 HA PHE A 103 4.690 2.564 5.568 1.00 0.36 H new ATOM 0 HB2 PHE A 103 2.979 1.294 6.817 1.00 0.43 H new ATOM 0 HB3 PHE A 103 2.281 2.790 7.405 1.00 0.43 H new ATOM 0 HD1 PHE A 103 3.349 1.435 4.044 1.00 1.66 H new ATOM 0 HD2 PHE A 103 0.295 3.406 6.354 1.00 2.65 H new ATOM 0 HE1 PHE A 103 1.927 1.610 2.016 1.00 2.19 H new ATOM 0 HE2 PHE A 103 -1.175 3.472 4.352 1.00 3.45 H new ATOM 0 HZ PHE A 103 -0.363 2.564 2.186 1.00 2.85 H new ATOM 1560 N GLN A 104 3.446 5.289 6.977 1.00 0.42 N ATOM 1561 CA GLN A 104 3.130 6.693 6.809 1.00 0.49 C ATOM 1562 C GLN A 104 4.389 7.503 6.523 1.00 0.45 C ATOM 1563 O GLN A 104 4.315 8.424 5.716 1.00 0.55 O ATOM 1564 CB GLN A 104 2.348 7.180 8.036 1.00 0.68 C ATOM 1565 CG GLN A 104 1.773 8.593 7.869 1.00 0.82 C ATOM 1566 CD GLN A 104 2.646 9.657 8.524 1.00 1.66 C ATOM 1567 OE1 GLN A 104 2.438 10.012 9.679 1.00 2.20 O ATOM 1568 NE2 GLN A 104 3.607 10.194 7.785 1.00 3.03 N ATOM 0 H GLN A 104 3.206 4.936 7.903 1.00 0.42 H new ATOM 0 HA GLN A 104 2.491 6.837 5.938 1.00 0.49 H new ATOM 0 HB2 GLN A 104 1.533 6.485 8.238 1.00 0.68 H new ATOM 0 HB3 GLN A 104 3.004 7.163 8.906 1.00 0.68 H new ATOM 0 HG2 GLN A 104 1.668 8.816 6.807 1.00 0.82 H new ATOM 0 HG3 GLN A 104 0.774 8.629 8.303 1.00 0.82 H new ATOM 0 HE21 GLN A 104 3.753 9.875 6.827 1.00 3.03 H new ATOM 0 HE22 GLN A 104 4.201 10.926 8.174 1.00 3.03 H new ATOM 1577 N GLU A 105 5.524 7.191 7.148 1.00 0.40 N ATOM 1578 CA GLU A 105 6.800 7.799 6.812 1.00 0.43 C ATOM 1579 C GLU A 105 7.065 7.615 5.321 1.00 0.39 C ATOM 1580 O GLU A 105 7.150 8.590 4.571 1.00 0.46 O ATOM 1581 CB GLU A 105 7.925 7.163 7.641 1.00 0.46 C ATOM 1582 CG GLU A 105 7.897 7.632 9.101 1.00 0.84 C ATOM 1583 CD GLU A 105 8.940 6.885 9.921 1.00 2.15 C ATOM 1584 OE1 GLU A 105 8.587 5.807 10.444 1.00 3.77 O ATOM 1585 OE2 GLU A 105 10.077 7.401 9.986 1.00 2.58 O ATOM 0 H GLU A 105 5.579 6.507 7.903 1.00 0.40 H new ATOM 0 HA GLU A 105 6.769 8.864 7.042 1.00 0.43 H new ATOM 0 HB2 GLU A 105 7.832 6.078 7.607 1.00 0.46 H new ATOM 0 HB3 GLU A 105 8.889 7.414 7.198 1.00 0.46 H new ATOM 0 HG2 GLU A 105 8.088 8.704 9.148 1.00 0.84 H new ATOM 0 HG3 GLU A 105 6.906 7.466 9.524 1.00 0.84 H new ATOM 1592 N MET A 106 7.190 6.359 4.882 1.00 0.37 N ATOM 1593 CA MET A 106 7.620 6.090 3.519 1.00 0.50 C ATOM 1594 C MET A 106 6.612 6.623 2.500 1.00 0.57 C ATOM 1595 O MET A 106 7.007 7.140 1.459 1.00 0.72 O ATOM 1596 CB MET A 106 7.926 4.598 3.327 1.00 0.82 C ATOM 1597 CG MET A 106 9.220 4.430 2.521 1.00 1.49 C ATOM 1598 SD MET A 106 10.711 4.994 3.382 1.00 3.39 S ATOM 1599 CE MET A 106 11.985 4.489 2.207 1.00 3.63 C ATOM 0 H MET A 106 7.002 5.529 5.445 1.00 0.37 H new ATOM 0 HA MET A 106 8.550 6.630 3.340 1.00 0.50 H new ATOM 0 HB2 MET A 106 8.026 4.111 4.297 1.00 0.82 H new ATOM 0 HB3 MET A 106 7.099 4.112 2.809 1.00 0.82 H new ATOM 0 HG2 MET A 106 9.340 3.378 2.263 1.00 1.49 H new ATOM 0 HG3 MET A 106 9.125 4.980 1.584 1.00 1.49 H new ATOM 0 HE1 MET A 106 12.966 4.767 2.592 1.00 3.63 H new ATOM 0 HE2 MET A 106 11.943 3.409 2.066 1.00 3.63 H new ATOM 0 HE3 MET A 106 11.817 4.986 1.252 1.00 3.63 H new ATOM 1609 N VAL A 107 5.319 6.518 2.808 1.00 0.60 N ATOM 1610 CA VAL A 107 4.260 7.094 1.994 1.00 0.73 C ATOM 1611 C VAL A 107 4.382 8.617 1.939 1.00 0.89 C ATOM 1612 O VAL A 107 4.264 9.198 0.862 1.00 1.28 O ATOM 1613 CB VAL A 107 2.893 6.651 2.537 1.00 0.62 C ATOM 1614 CG1 VAL A 107 1.743 7.441 1.905 1.00 0.70 C ATOM 1615 CG2 VAL A 107 2.663 5.166 2.241 1.00 0.57 C ATOM 0 H VAL A 107 4.980 6.027 3.635 1.00 0.60 H new ATOM 0 HA VAL A 107 4.356 6.730 0.971 1.00 0.73 H new ATOM 0 HB VAL A 107 2.905 6.836 3.611 1.00 0.62 H new ATOM 0 HG11 VAL A 107 0.795 7.096 2.317 1.00 0.70 H new ATOM 0 HG12 VAL A 107 1.868 8.502 2.122 1.00 0.70 H new ATOM 0 HG13 VAL A 107 1.747 7.288 0.826 1.00 0.70 H new ATOM 0 HG21 VAL A 107 1.691 4.864 2.631 1.00 0.57 H new ATOM 0 HG22 VAL A 107 2.689 5.001 1.164 1.00 0.57 H new ATOM 0 HG23 VAL A 107 3.445 4.575 2.718 1.00 0.57 H new ATOM 1625 N HIS A 108 4.557 9.267 3.092 1.00 0.74 N ATOM 1626 CA HIS A 108 4.550 10.719 3.202 1.00 0.85 C ATOM 1627 C HIS A 108 5.769 11.316 2.500 1.00 0.94 C ATOM 1628 O HIS A 108 5.699 12.446 2.025 1.00 1.24 O ATOM 1629 CB HIS A 108 4.499 11.118 4.681 1.00 1.02 C ATOM 1630 CG HIS A 108 4.503 12.597 4.961 1.00 1.30 C ATOM 1631 ND1 HIS A 108 3.513 13.488 4.617 1.00 2.08 N ATOM 1632 CD2 HIS A 108 5.404 13.263 5.750 1.00 1.94 C ATOM 1633 CE1 HIS A 108 3.819 14.668 5.185 1.00 2.00 C ATOM 1634 NE2 HIS A 108 4.955 14.579 5.893 1.00 1.90 N ATOM 0 H HIS A 108 4.709 8.791 3.981 1.00 0.74 H new ATOM 0 HA HIS A 108 3.664 11.117 2.707 1.00 0.85 H new ATOM 0 HB2 HIS A 108 3.601 10.686 5.124 1.00 1.02 H new ATOM 0 HB3 HIS A 108 5.353 10.669 5.189 1.00 1.02 H new ATOM 0 HD2 HIS A 108 6.301 12.846 6.184 1.00 1.94 H new ATOM 0 HE1 HIS A 108 3.229 15.567 5.085 1.00 2.00 H new ATOM 0 HE2 HIS A 108 5.402 15.323 6.429 1.00 1.90 H new ATOM 1642 N SER A 109 6.868 10.553 2.498 1.00 0.95 N ATOM 1643 CA SER A 109 8.135 10.879 1.856 1.00 1.16 C ATOM 1644 C SER A 109 7.938 11.455 0.445 1.00 1.73 C ATOM 1645 O SER A 109 8.400 12.594 0.212 1.00 2.13 O ATOM 1646 CB SER A 109 9.002 9.613 1.796 1.00 1.20 C ATOM 1647 OG SER A 109 10.374 9.909 1.608 1.00 1.72 O ATOM 1648 OXT SER A 109 7.356 10.728 -0.392 1.00 2.64 O ATOM 0 H SER A 109 6.893 9.648 2.969 1.00 0.95 H new ATOM 0 HA SER A 109 8.630 11.649 2.447 1.00 1.16 H new ATOM 0 HB2 SER A 109 8.878 9.047 2.719 1.00 1.20 H new ATOM 0 HB3 SER A 109 8.655 8.976 0.982 1.00 1.20 H new ATOM 0 HG SER A 109 10.887 9.075 1.578 1.00 1.72 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 9.769 -2.668 10.281 1.00 0.39 CA HETATM 1656 CA CA A 111 -1.273 -7.468 11.478 1.00 1.47 CA