USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1019 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 33 LYS NZ :NH3+ -176:sc=-0.00516 (180deg=-0.0425) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 156 LYS NZ :NH3+ 178:sc= 0.0314 (180deg=0.0311) USER MOD Set 2.1: A 143 GLN : amide:sc= 0.118 X(o=0.28,f=0.05) USER MOD Set 2.2: A 144 ASN : amide:sc= 0.167 X(o=0.28,f=-0.15) USER MOD Set 3.1: A 40 THR OG1 : rot -165:sc= 0.605 USER MOD Set 3.2: A 98 TYR OH : rot -15:sc= 0.544 USER MOD Set 4.1: A 15 LYS NZ :NH3+ -134:sc=-0.000296 (180deg=-1.2) USER MOD Set 4.2: A 79 THR OG1 : rot -170:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00857 X(o=-0.0086,f=-0.0086) USER MOD Single : A 19 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -170:sc= -0.285 USER MOD Single : A 37 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.41) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0032 X(o=-0.0032,f=-0.38) USER MOD Single : A 43 SER OG : rot -122:sc= 0.607 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 133:sc= 1.79 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -166:sc= -0.882 (180deg=-1.76) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.615) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -22:sc= 0.0639 USER MOD Single : A 80 MET CE :methyl -143:sc= -0.212 (180deg=-1.5) USER MOD Single : A 87 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.0028) USER MOD Single : A 90 CYS SG : rot -140:sc= -1.4 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.46) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 0:sc= 0.112 USER MOD Single : A 142 GLN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 146 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.48) USER MOD Single : A 151 HIS : no HD1:sc= -0.435 X(o=-0.43,f=-0.34) USER MOD Single : A 152 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 154 MET CE :methyl -130:sc= -0.486 (180deg=-2.98!) USER MOD Single : A 159 SER OG : rot -151:sc= 0.00381 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 5 21.530 -5.092 -11.051 1.00 0.00 N ATOM 43 CA ILE A 5 22.173 -3.925 -10.365 1.00 0.00 C ATOM 44 C ILE A 5 23.029 -3.014 -11.319 1.00 0.00 C ATOM 45 O ILE A 5 22.921 -1.787 -11.242 1.00 0.00 O ATOM 46 CB ILE A 5 22.980 -4.450 -9.115 1.00 0.00 C ATOM 47 CG1 ILE A 5 22.139 -5.267 -8.079 1.00 0.00 C ATOM 48 CG2 ILE A 5 23.797 -3.356 -8.371 1.00 0.00 C ATOM 49 CD1 ILE A 5 21.042 -4.492 -7.348 1.00 0.00 C ATOM 0 HA ILE A 5 21.384 -3.255 -10.022 1.00 0.00 H new ATOM 0 HB ILE A 5 23.683 -5.140 -9.582 1.00 0.00 H new ATOM 0 HG12 ILE A 5 21.679 -6.108 -8.597 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.819 -5.683 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 5 24.320 -3.804 -7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 5 24.523 -2.916 -9.055 1.00 0.00 H new ATOM 0 HG23 ILE A 5 23.122 -2.580 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 5 20.525 -5.158 -6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 5 21.488 -3.667 -6.793 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.330 -4.098 -8.073 1.00 0.00 H new ATOM 61 N ALA A 6 23.836 -3.620 -12.213 1.00 0.00 N ATOM 62 CA ALA A 6 24.561 -2.897 -13.284 1.00 0.00 C ATOM 63 C ALA A 6 23.696 -2.202 -14.376 1.00 0.00 C ATOM 64 O ALA A 6 24.115 -1.139 -14.838 1.00 0.00 O ATOM 65 CB ALA A 6 25.579 -3.860 -13.915 1.00 0.00 C ATOM 0 H ALA A 6 24.005 -4.626 -12.215 1.00 0.00 H new ATOM 0 HA ALA A 6 25.044 -2.053 -12.792 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.124 -3.346 -14.707 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.281 -4.199 -13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 6 25.056 -4.720 -14.334 1.00 0.00 H new ATOM 71 N ARG A 7 22.520 -2.747 -14.772 1.00 0.00 N ATOM 72 CA ARG A 7 21.546 -2.017 -15.639 1.00 0.00 C ATOM 73 C ARG A 7 20.697 -0.905 -14.930 1.00 0.00 C ATOM 74 O ARG A 7 20.332 0.062 -15.602 1.00 0.00 O ATOM 75 CB ARG A 7 20.712 -2.988 -16.524 1.00 0.00 C ATOM 76 CG ARG A 7 19.452 -3.649 -15.910 1.00 0.00 C ATOM 77 CD ARG A 7 18.736 -4.685 -16.801 1.00 0.00 C ATOM 78 NE ARG A 7 18.153 -4.075 -18.023 1.00 0.00 N ATOM 79 CZ ARG A 7 17.463 -4.751 -18.962 1.00 0.00 C ATOM 80 NH1 ARG A 7 17.183 -6.050 -18.890 1.00 0.00 N ATOM 81 NH2 ARG A 7 17.035 -4.083 -20.018 1.00 0.00 N ATOM 0 H ARG A 7 22.218 -3.685 -14.509 1.00 0.00 H new ATOM 0 HA ARG A 7 22.166 -1.429 -16.315 1.00 0.00 H new ATOM 0 HB2 ARG A 7 20.399 -2.441 -17.413 1.00 0.00 H new ATOM 0 HB3 ARG A 7 21.376 -3.786 -16.858 1.00 0.00 H new ATOM 0 HG2 ARG A 7 19.738 -4.136 -14.977 1.00 0.00 H new ATOM 0 HG3 ARG A 7 18.741 -2.864 -15.655 1.00 0.00 H new ATOM 0 HD2 ARG A 7 19.443 -5.463 -17.089 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.946 -5.169 -16.227 1.00 0.00 H new ATOM 0 HE ARG A 7 18.284 -3.073 -18.161 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.496 -6.595 -18.087 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.655 -6.500 -19.638 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.230 -3.086 -20.104 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.510 -4.565 -20.748 1.00 0.00 H new ATOM 95 N LEU A 8 20.380 -1.016 -13.616 1.00 0.00 N ATOM 96 CA LEU A 8 19.621 0.026 -12.867 1.00 0.00 C ATOM 97 C LEU A 8 20.430 1.314 -12.522 1.00 0.00 C ATOM 98 O LEU A 8 19.866 2.405 -12.624 1.00 0.00 O ATOM 99 CB LEU A 8 18.950 -0.518 -11.574 1.00 0.00 C ATOM 100 CG LEU A 8 17.954 -1.712 -11.650 1.00 0.00 C ATOM 101 CD1 LEU A 8 17.120 -1.758 -10.356 1.00 0.00 C ATOM 102 CD2 LEU A 8 17.018 -1.739 -12.876 1.00 0.00 C ATOM 0 H LEU A 8 20.639 -1.822 -13.047 1.00 0.00 H new ATOM 0 HA LEU A 8 18.849 0.315 -13.580 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.750 -0.808 -10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.421 0.314 -11.110 1.00 0.00 H new ATOM 0 HG LEU A 8 18.579 -2.597 -11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.420 -2.593 -10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.783 -1.888 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.566 -0.826 -10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.371 -2.614 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.407 -0.836 -12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.614 -1.785 -13.788 1.00 0.00 H new ATOM 114 N ARG A 9 21.721 1.221 -12.136 1.00 0.00 N ATOM 115 CA ARG A 9 22.619 2.406 -11.995 1.00 0.00 C ATOM 116 C ARG A 9 22.744 3.323 -13.260 1.00 0.00 C ATOM 117 O ARG A 9 22.666 4.548 -13.130 1.00 0.00 O ATOM 118 CB ARG A 9 23.980 1.978 -11.377 1.00 0.00 C ATOM 119 CG ARG A 9 24.919 1.111 -12.250 1.00 0.00 C ATOM 120 CD ARG A 9 26.092 0.502 -11.459 1.00 0.00 C ATOM 121 NE ARG A 9 27.051 -0.185 -12.361 1.00 0.00 N ATOM 122 CZ ARG A 9 27.893 -1.167 -11.981 1.00 0.00 C ATOM 123 NH1 ARG A 9 27.985 -1.632 -10.737 1.00 0.00 N ATOM 124 NH2 ARG A 9 28.675 -1.705 -12.900 1.00 0.00 N ATOM 0 H ARG A 9 22.174 0.335 -11.913 1.00 0.00 H new ATOM 0 HA ARG A 9 22.126 3.079 -11.293 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.521 2.882 -11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 9 23.775 1.430 -10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.341 0.307 -12.706 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.315 1.720 -13.063 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.608 1.287 -10.906 1.00 0.00 H new ATOM 0 HD3 ARG A 9 25.709 -0.206 -10.724 1.00 0.00 H new ATOM 0 HE ARG A 9 27.074 0.107 -13.338 1.00 0.00 H new ATOM 0 HH11 ARG A 9 27.395 -1.242 -10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 9 28.645 -2.378 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 9 28.630 -1.375 -13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 9 29.323 -2.450 -12.645 1.00 0.00 H new ATOM 138 N GLU A 10 22.862 2.725 -14.464 1.00 0.00 N ATOM 139 CA GLU A 10 22.704 3.438 -15.767 1.00 0.00 C ATOM 140 C GLU A 10 21.252 3.766 -16.260 1.00 0.00 C ATOM 141 O GLU A 10 21.127 4.421 -17.300 1.00 0.00 O ATOM 142 CB GLU A 10 23.510 2.666 -16.852 1.00 0.00 C ATOM 143 CG GLU A 10 23.043 1.218 -17.135 1.00 0.00 C ATOM 144 CD GLU A 10 23.776 0.540 -18.292 1.00 0.00 C ATOM 145 OE1 GLU A 10 23.345 0.699 -19.455 1.00 0.00 O ATOM 146 OE2 GLU A 10 24.781 -0.161 -18.043 1.00 0.00 O ATOM 0 H GLU A 10 23.070 1.732 -14.569 1.00 0.00 H new ATOM 0 HA GLU A 10 23.099 4.437 -15.585 1.00 0.00 H new ATOM 0 HB2 GLU A 10 23.463 3.231 -17.783 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.556 2.637 -16.548 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.179 0.621 -16.233 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.975 1.228 -17.352 1.00 0.00 H new ATOM 153 N ASP A 11 20.176 3.368 -15.547 1.00 0.00 N ATOM 154 CA ASP A 11 18.780 3.778 -15.882 1.00 0.00 C ATOM 155 C ASP A 11 18.355 5.215 -15.438 1.00 0.00 C ATOM 156 O ASP A 11 17.242 5.625 -15.778 1.00 0.00 O ATOM 157 CB ASP A 11 17.851 2.624 -15.401 1.00 0.00 C ATOM 158 CG ASP A 11 16.377 2.699 -15.825 1.00 0.00 C ATOM 159 OD1 ASP A 11 16.078 2.474 -17.018 1.00 0.00 O ATOM 160 OD2 ASP A 11 15.514 2.982 -14.966 1.00 0.00 O ATOM 0 H ASP A 11 20.241 2.760 -14.730 1.00 0.00 H new ATOM 0 HA ASP A 11 18.692 3.905 -16.961 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.262 1.683 -15.766 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.890 2.588 -14.312 1.00 0.00 H new ATOM 165 N GLY A 12 19.207 5.987 -14.734 1.00 0.00 N ATOM 166 CA GLY A 12 18.775 7.226 -14.045 1.00 0.00 C ATOM 167 C GLY A 12 18.541 7.080 -12.520 1.00 0.00 C ATOM 168 O GLY A 12 18.902 7.970 -11.745 1.00 0.00 O ATOM 0 H GLY A 12 20.199 5.777 -14.626 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.528 7.997 -14.210 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.852 7.578 -14.507 1.00 0.00 H new ATOM 172 N ILE A 13 17.941 5.949 -12.111 1.00 0.00 N ATOM 173 CA ILE A 13 17.790 5.526 -10.692 1.00 0.00 C ATOM 174 C ILE A 13 19.150 5.043 -10.081 1.00 0.00 C ATOM 175 O ILE A 13 20.118 4.755 -10.796 1.00 0.00 O ATOM 176 CB ILE A 13 16.663 4.424 -10.605 1.00 0.00 C ATOM 177 CG1 ILE A 13 17.038 3.114 -11.371 1.00 0.00 C ATOM 178 CG2 ILE A 13 15.274 4.981 -11.005 1.00 0.00 C ATOM 179 CD1 ILE A 13 15.938 2.117 -11.733 1.00 0.00 C ATOM 0 H ILE A 13 17.535 5.282 -12.767 1.00 0.00 H new ATOM 0 HA ILE A 13 17.487 6.382 -10.089 1.00 0.00 H new ATOM 0 HB ILE A 13 16.588 4.137 -9.556 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.532 3.407 -12.297 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.776 2.583 -10.770 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.529 4.189 -10.931 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.003 5.798 -10.336 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.311 5.349 -12.030 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.375 1.269 -12.260 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.450 1.767 -10.823 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.203 2.603 -12.374 1.00 0.00 H new ATOM 191 N GLN A 14 19.187 4.929 -8.743 1.00 0.00 N ATOM 192 CA GLN A 14 20.335 4.336 -8.012 1.00 0.00 C ATOM 193 C GLN A 14 19.758 3.383 -6.933 1.00 0.00 C ATOM 194 O GLN A 14 19.030 3.831 -6.045 1.00 0.00 O ATOM 195 CB GLN A 14 21.224 5.466 -7.418 1.00 0.00 C ATOM 196 CG GLN A 14 22.520 5.013 -6.707 1.00 0.00 C ATOM 197 CD GLN A 14 23.560 4.357 -7.634 1.00 0.00 C ATOM 198 OE1 GLN A 14 24.278 5.028 -8.374 1.00 0.00 O ATOM 199 NE2 GLN A 14 23.651 3.036 -7.622 1.00 0.00 N ATOM 0 H GLN A 14 18.430 5.241 -8.135 1.00 0.00 H new ATOM 0 HA GLN A 14 20.983 3.759 -8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 14 21.496 6.147 -8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 14 20.625 6.036 -6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 14 22.976 5.877 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 14 22.259 4.308 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 14 23.051 2.489 -7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 14 24.321 2.565 -8.230 1.00 0.00 H new ATOM 208 N LYS A 15 20.104 2.084 -7.014 1.00 0.00 N ATOM 209 CA LYS A 15 19.601 1.026 -6.098 1.00 0.00 C ATOM 210 C LYS A 15 20.606 0.758 -4.936 1.00 0.00 C ATOM 211 O LYS A 15 21.821 0.688 -5.147 1.00 0.00 O ATOM 212 CB LYS A 15 19.277 -0.204 -7.007 1.00 0.00 C ATOM 213 CG LYS A 15 19.330 -1.635 -6.434 1.00 0.00 C ATOM 214 CD LYS A 15 18.260 -2.048 -5.413 1.00 0.00 C ATOM 215 CE LYS A 15 18.524 -3.453 -4.843 1.00 0.00 C ATOM 216 NZ LYS A 15 17.395 -3.951 -4.046 1.00 0.00 N ATOM 0 H LYS A 15 20.747 1.729 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 15 18.693 1.315 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.274 -0.054 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.965 -0.170 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.278 -2.331 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.306 -1.771 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.237 -1.324 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.279 -2.027 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.721 -4.144 -5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.421 -3.429 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.750 -4.358 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.748 -3.166 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.887 -4.682 -4.583 1.00 0.00 H new ATOM 230 N ARG A 16 20.061 0.561 -3.715 1.00 0.00 N ATOM 231 CA ARG A 16 20.854 0.172 -2.520 1.00 0.00 C ATOM 232 C ARG A 16 19.979 -0.759 -1.628 1.00 0.00 C ATOM 233 O ARG A 16 18.886 -0.378 -1.197 1.00 0.00 O ATOM 234 CB ARG A 16 21.312 1.447 -1.754 1.00 0.00 C ATOM 235 CG ARG A 16 22.281 1.191 -0.578 1.00 0.00 C ATOM 236 CD ARG A 16 22.623 2.475 0.201 1.00 0.00 C ATOM 237 NE ARG A 16 23.556 2.185 1.317 1.00 0.00 N ATOM 238 CZ ARG A 16 23.941 3.086 2.242 1.00 0.00 C ATOM 239 NH1 ARG A 16 23.532 4.355 2.265 1.00 0.00 N ATOM 240 NH2 ARG A 16 24.775 2.687 3.185 1.00 0.00 N ATOM 0 H ARG A 16 19.064 0.666 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 16 21.753 -0.371 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.793 2.124 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.429 1.960 -1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.836 0.466 0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.200 0.747 -0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.071 3.205 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 16 21.709 2.922 0.593 1.00 0.00 H new ATOM 0 HE ARG A 16 23.932 1.239 1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 16 22.887 4.696 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 16 23.864 4.985 2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 16 25.107 1.723 3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.087 3.343 3.901 1.00 0.00 H new ATOM 254 N VAL A 17 20.511 -1.959 -1.322 1.00 0.00 N ATOM 255 CA VAL A 17 19.879 -2.937 -0.387 1.00 0.00 C ATOM 256 C VAL A 17 20.486 -2.807 1.041 1.00 0.00 C ATOM 257 O VAL A 17 21.701 -2.660 1.218 1.00 0.00 O ATOM 258 CB VAL A 17 19.946 -4.383 -0.991 1.00 0.00 C ATOM 259 CG1 VAL A 17 21.362 -4.990 -1.106 1.00 0.00 C ATOM 260 CG2 VAL A 17 19.050 -5.401 -0.256 1.00 0.00 C ATOM 0 H VAL A 17 21.394 -2.287 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 17 18.819 -2.710 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 17 19.570 -4.215 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.296 -5.990 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.977 -4.360 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.814 -5.049 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.147 -6.379 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.358 -5.470 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.011 -5.075 -0.307 1.00 0.00 H new ATOM 270 N ILE A 18 19.607 -2.926 2.051 1.00 0.00 N ATOM 271 CA ILE A 18 20.000 -3.004 3.481 1.00 0.00 C ATOM 272 C ILE A 18 20.312 -4.500 3.829 1.00 0.00 C ATOM 273 O ILE A 18 21.464 -4.813 4.145 1.00 0.00 O ATOM 274 CB ILE A 18 18.931 -2.334 4.413 1.00 0.00 C ATOM 275 CG1 ILE A 18 18.402 -0.927 3.980 1.00 0.00 C ATOM 276 CG2 ILE A 18 19.459 -2.212 5.866 1.00 0.00 C ATOM 277 CD1 ILE A 18 16.877 -0.809 4.070 1.00 0.00 C ATOM 0 H ILE A 18 18.599 -2.972 1.905 1.00 0.00 H new ATOM 0 HA ILE A 18 20.908 -2.427 3.659 1.00 0.00 H new ATOM 0 HB ILE A 18 18.085 -3.016 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 18 18.858 -0.163 4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.717 -0.725 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.699 -1.744 6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 18 19.688 -3.204 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 18 20.362 -1.601 5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.570 0.189 3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.416 -1.551 3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.559 -0.981 5.098 1.00 0.00 H new ATOM 289 N GLN A 19 19.301 -5.398 3.765 1.00 0.00 N ATOM 290 CA GLN A 19 19.457 -6.845 4.059 1.00 0.00 C ATOM 291 C GLN A 19 18.981 -7.643 2.818 1.00 0.00 C ATOM 292 O GLN A 19 17.783 -7.696 2.526 1.00 0.00 O ATOM 293 CB GLN A 19 18.632 -7.267 5.306 1.00 0.00 C ATOM 294 CG GLN A 19 19.034 -6.635 6.666 1.00 0.00 C ATOM 295 CD GLN A 19 17.952 -5.743 7.295 1.00 0.00 C ATOM 296 OE1 GLN A 19 17.507 -5.954 8.423 1.00 0.00 O ATOM 297 NE2 GLN A 19 17.515 -4.735 6.564 1.00 0.00 N ATOM 0 H GLN A 19 18.349 -5.139 3.507 1.00 0.00 H new ATOM 0 HA GLN A 19 20.504 -7.054 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.586 -7.026 5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.697 -8.351 5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.281 -7.434 7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.939 -6.044 6.525 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.897 -4.578 5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.795 -4.113 6.931 1.00 0.00 H new ATOM 306 N GLU A 20 19.920 -8.317 2.129 1.00 0.00 N ATOM 307 CA GLU A 20 19.605 -9.309 1.065 1.00 0.00 C ATOM 308 C GLU A 20 18.826 -10.533 1.635 1.00 0.00 C ATOM 309 O GLU A 20 19.223 -11.113 2.652 1.00 0.00 O ATOM 310 CB GLU A 20 20.910 -9.775 0.368 1.00 0.00 C ATOM 311 CG GLU A 20 21.570 -8.708 -0.530 1.00 0.00 C ATOM 312 CD GLU A 20 22.860 -9.199 -1.189 1.00 0.00 C ATOM 313 OE1 GLU A 20 22.793 -9.767 -2.301 1.00 0.00 O ATOM 314 OE2 GLU A 20 23.948 -9.020 -0.596 1.00 0.00 O ATOM 0 H GLU A 20 20.920 -8.195 2.288 1.00 0.00 H new ATOM 0 HA GLU A 20 18.962 -8.822 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.625 -10.083 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.690 -10.655 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 20 20.865 -8.406 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 20 21.787 -7.822 0.067 1.00 0.00 H new ATOM 321 N GLY A 21 17.709 -10.888 0.977 1.00 0.00 N ATOM 322 CA GLY A 21 16.744 -11.877 1.504 1.00 0.00 C ATOM 323 C GLY A 21 17.184 -13.354 1.519 1.00 0.00 C ATOM 324 O GLY A 21 18.371 -13.676 1.640 1.00 0.00 O ATOM 0 H GLY A 21 17.448 -10.502 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.490 -11.590 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.830 -11.803 0.915 1.00 0.00 H new ATOM 328 N ARG A 22 16.183 -14.247 1.484 1.00 0.00 N ATOM 329 CA ARG A 22 16.385 -15.679 1.873 1.00 0.00 C ATOM 330 C ARG A 22 17.290 -16.550 0.941 1.00 0.00 C ATOM 331 O ARG A 22 18.209 -17.212 1.431 1.00 0.00 O ATOM 332 CB ARG A 22 15.020 -16.324 2.233 1.00 0.00 C ATOM 333 CG ARG A 22 15.113 -17.625 3.059 1.00 0.00 C ATOM 334 CD ARG A 22 13.723 -18.210 3.368 1.00 0.00 C ATOM 335 NE ARG A 22 13.794 -19.506 4.091 1.00 0.00 N ATOM 336 CZ ARG A 22 13.849 -20.718 3.501 1.00 0.00 C ATOM 337 NH1 ARG A 22 13.859 -20.907 2.183 1.00 0.00 N ATOM 338 NH2 ARG A 22 13.900 -21.785 4.279 1.00 0.00 N ATOM 0 H ARG A 22 15.231 -14.021 1.196 1.00 0.00 H new ATOM 0 HA ARG A 22 17.009 -15.656 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 22 14.428 -15.598 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.480 -16.535 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 22 15.703 -18.361 2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.638 -17.425 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.157 -17.496 3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.176 -18.348 2.435 1.00 0.00 H new ATOM 0 HE ARG A 22 13.802 -19.477 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.824 -20.106 1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.902 -21.853 1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.897 -21.677 5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.942 -22.716 3.865 1.00 0.00 H new ATOM 393 N PRO A 26 13.809 -14.520 -8.148 1.00 0.00 N ATOM 394 CA PRO A 26 12.859 -15.214 -9.068 1.00 0.00 C ATOM 395 C PRO A 26 12.614 -14.449 -10.416 1.00 0.00 C ATOM 396 O PRO A 26 13.516 -13.781 -10.934 1.00 0.00 O ATOM 397 CB PRO A 26 11.649 -15.421 -8.120 1.00 0.00 C ATOM 398 CG PRO A 26 11.650 -14.216 -7.189 1.00 0.00 C ATOM 399 CD PRO A 26 13.135 -13.936 -6.970 1.00 0.00 C ATOM 0 HA PRO A 26 13.205 -16.157 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.717 -15.482 -8.681 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.745 -16.350 -7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.142 -13.362 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.140 -14.433 -6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.328 -12.866 -6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.491 -14.391 -6.045 1.00 0.00 H new ATOM 407 N ASP A 27 11.419 -14.600 -11.014 1.00 0.00 N ATOM 408 CA ASP A 27 11.099 -14.063 -12.368 1.00 0.00 C ATOM 409 C ASP A 27 10.993 -12.508 -12.408 1.00 0.00 C ATOM 410 O ASP A 27 11.836 -11.870 -13.045 1.00 0.00 O ATOM 411 CB ASP A 27 9.835 -14.744 -12.971 1.00 0.00 C ATOM 412 CG ASP A 27 9.962 -16.247 -13.265 1.00 0.00 C ATOM 413 OD1 ASP A 27 10.559 -16.611 -14.302 1.00 0.00 O ATOM 414 OD2 ASP A 27 9.467 -17.064 -12.459 1.00 0.00 O ATOM 0 H ASP A 27 10.641 -15.097 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 27 11.949 -14.319 -13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.003 -14.597 -12.283 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.577 -14.232 -13.898 1.00 0.00 H new ATOM 419 N PHE A 28 9.959 -11.908 -11.774 1.00 0.00 N ATOM 420 CA PHE A 28 9.609 -10.459 -11.922 1.00 0.00 C ATOM 421 C PHE A 28 9.318 -10.010 -13.388 1.00 0.00 C ATOM 422 O PHE A 28 9.931 -9.078 -13.918 1.00 0.00 O ATOM 423 CB PHE A 28 10.595 -9.533 -11.154 1.00 0.00 C ATOM 424 CG PHE A 28 10.433 -9.556 -9.627 1.00 0.00 C ATOM 425 CD1 PHE A 28 11.127 -10.485 -8.845 1.00 0.00 C ATOM 426 CD2 PHE A 28 9.565 -8.647 -9.011 1.00 0.00 C ATOM 427 CE1 PHE A 28 10.951 -10.501 -7.465 1.00 0.00 C ATOM 428 CE2 PHE A 28 9.403 -8.659 -7.630 1.00 0.00 C ATOM 429 CZ PHE A 28 10.103 -9.578 -6.858 1.00 0.00 C ATOM 0 H PHE A 28 9.336 -12.409 -11.141 1.00 0.00 H new ATOM 0 HA PHE A 28 8.644 -10.340 -11.430 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.615 -9.824 -11.403 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.461 -8.510 -11.505 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.799 -11.190 -9.312 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.019 -7.934 -9.611 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.473 -11.230 -6.863 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.734 -7.955 -7.158 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.989 -9.577 -5.784 1.00 0.00 H new ATOM 439 N GLN A 29 8.350 -10.700 -14.015 1.00 0.00 N ATOM 440 CA GLN A 29 7.931 -10.473 -15.418 1.00 0.00 C ATOM 441 C GLN A 29 6.390 -10.229 -15.486 1.00 0.00 C ATOM 442 O GLN A 29 5.717 -10.126 -14.454 1.00 0.00 O ATOM 443 CB GLN A 29 8.400 -11.691 -16.279 1.00 0.00 C ATOM 444 CG GLN A 29 9.914 -11.999 -16.339 1.00 0.00 C ATOM 445 CD GLN A 29 10.737 -10.982 -17.146 1.00 0.00 C ATOM 446 OE1 GLN A 29 10.635 -10.902 -18.370 1.00 0.00 O ATOM 447 NE2 GLN A 29 11.566 -10.189 -16.488 1.00 0.00 N ATOM 0 H GLN A 29 7.825 -11.445 -13.557 1.00 0.00 H new ATOM 0 HA GLN A 29 8.398 -9.576 -15.826 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.893 -12.580 -15.903 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.051 -11.532 -17.299 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.305 -12.039 -15.322 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.054 -12.989 -16.774 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.644 -10.262 -15.474 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.127 -9.504 -16.995 1.00 0.00 H new ATOM 456 N ASP A 30 5.828 -10.103 -16.709 1.00 0.00 N ATOM 457 CA ASP A 30 4.402 -9.724 -16.932 1.00 0.00 C ATOM 458 C ASP A 30 3.369 -10.699 -16.277 1.00 0.00 C ATOM 459 O ASP A 30 3.123 -11.806 -16.767 1.00 0.00 O ATOM 460 CB ASP A 30 4.125 -9.451 -18.437 1.00 0.00 C ATOM 461 CG ASP A 30 4.288 -10.621 -19.427 1.00 0.00 C ATOM 462 OD1 ASP A 30 5.433 -10.912 -19.838 1.00 0.00 O ATOM 463 OD2 ASP A 30 3.271 -11.250 -19.792 1.00 0.00 O ATOM 0 H ASP A 30 6.345 -10.260 -17.574 1.00 0.00 H new ATOM 0 HA ASP A 30 4.246 -8.787 -16.398 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.105 -9.078 -18.526 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.788 -8.647 -18.758 1.00 0.00 H new ATOM 468 N GLY A 31 2.822 -10.261 -15.133 1.00 0.00 N ATOM 469 CA GLY A 31 1.954 -11.086 -14.268 1.00 0.00 C ATOM 470 C GLY A 31 2.645 -11.674 -13.018 1.00 0.00 C ATOM 471 O GLY A 31 2.339 -12.816 -12.675 1.00 0.00 O ATOM 0 H GLY A 31 2.969 -9.317 -14.776 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.108 -10.480 -13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.551 -11.907 -14.861 1.00 0.00 H new ATOM 475 N THR A 32 3.524 -10.929 -12.312 1.00 0.00 N ATOM 476 CA THR A 32 4.107 -11.373 -11.027 1.00 0.00 C ATOM 477 C THR A 32 3.375 -10.539 -9.943 1.00 0.00 C ATOM 478 O THR A 32 3.405 -9.306 -9.937 1.00 0.00 O ATOM 479 CB THR A 32 5.653 -11.199 -11.046 1.00 0.00 C ATOM 480 OG1 THR A 32 6.260 -12.184 -11.871 1.00 0.00 O ATOM 481 CG2 THR A 32 6.317 -11.287 -9.667 1.00 0.00 C ATOM 0 H THR A 32 3.847 -10.010 -12.614 1.00 0.00 H new ATOM 0 HA THR A 32 3.964 -12.434 -10.823 1.00 0.00 H new ATOM 0 HB THR A 32 5.809 -10.192 -11.433 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.232 -12.160 -11.748 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.394 -11.155 -9.773 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.917 -10.506 -9.020 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.113 -12.263 -9.226 1.00 0.00 H new ATOM 489 N LYS A 33 2.753 -11.246 -8.996 1.00 0.00 N ATOM 490 CA LYS A 33 2.118 -10.630 -7.815 1.00 0.00 C ATOM 491 C LYS A 33 3.153 -10.493 -6.666 1.00 0.00 C ATOM 492 O LYS A 33 3.371 -11.422 -5.887 1.00 0.00 O ATOM 493 CB LYS A 33 0.898 -11.524 -7.475 1.00 0.00 C ATOM 494 CG LYS A 33 0.116 -11.218 -6.180 1.00 0.00 C ATOM 495 CD LYS A 33 -0.875 -10.034 -6.223 1.00 0.00 C ATOM 496 CE LYS A 33 -0.284 -8.610 -6.193 1.00 0.00 C ATOM 497 NZ LYS A 33 0.602 -8.359 -5.042 1.00 0.00 N ATOM 0 H LYS A 33 2.672 -12.262 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 33 1.770 -9.613 -7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.199 -11.467 -8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.245 -12.556 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.438 -12.114 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.837 -11.027 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.475 -10.130 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.555 -10.134 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.274 -8.439 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.100 -7.888 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.908 -7.365 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.089 -8.557 -4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.435 -8.978 -5.104 1.00 0.00 H new ATOM 511 N ALA A 34 3.747 -9.297 -6.575 1.00 0.00 N ATOM 512 CA ALA A 34 4.724 -8.941 -5.520 1.00 0.00 C ATOM 513 C ALA A 34 4.029 -8.172 -4.364 1.00 0.00 C ATOM 514 O ALA A 34 3.563 -7.041 -4.536 1.00 0.00 O ATOM 515 CB ALA A 34 5.856 -8.123 -6.169 1.00 0.00 C ATOM 0 H ALA A 34 3.567 -8.538 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 34 5.150 -9.840 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.588 -7.849 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.340 -8.721 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.442 -7.219 -6.616 1.00 0.00 H new ATOM 521 N THR A 35 3.978 -8.819 -3.188 1.00 0.00 N ATOM 522 CA THR A 35 3.410 -8.236 -1.937 1.00 0.00 C ATOM 523 C THR A 35 4.597 -7.772 -1.046 1.00 0.00 C ATOM 524 O THR A 35 5.510 -8.541 -0.725 1.00 0.00 O ATOM 525 CB THR A 35 2.510 -9.281 -1.213 1.00 0.00 C ATOM 526 OG1 THR A 35 1.444 -9.681 -2.070 1.00 0.00 O ATOM 527 CG2 THR A 35 1.878 -8.777 0.098 1.00 0.00 C ATOM 0 H THR A 35 4.329 -9.769 -3.066 1.00 0.00 H new ATOM 0 HA THR A 35 2.774 -7.379 -2.161 1.00 0.00 H new ATOM 0 HB THR A 35 3.178 -10.106 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.883 -10.339 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.268 -9.567 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.666 -8.497 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.252 -7.909 -0.110 1.00 0.00 H new ATOM 535 N PHE A 36 4.557 -6.491 -0.657 1.00 0.00 N ATOM 536 CA PHE A 36 5.672 -5.827 0.072 1.00 0.00 C ATOM 537 C PHE A 36 5.150 -4.574 0.836 1.00 0.00 C ATOM 538 O PHE A 36 4.035 -4.100 0.618 1.00 0.00 O ATOM 539 CB PHE A 36 6.881 -5.533 -0.876 1.00 0.00 C ATOM 540 CG PHE A 36 6.648 -4.732 -2.163 1.00 0.00 C ATOM 541 CD1 PHE A 36 6.267 -5.406 -3.326 1.00 0.00 C ATOM 542 CD2 PHE A 36 6.820 -3.347 -2.200 1.00 0.00 C ATOM 543 CE1 PHE A 36 6.021 -4.700 -4.495 1.00 0.00 C ATOM 544 CE2 PHE A 36 6.568 -2.640 -3.370 1.00 0.00 C ATOM 545 CZ PHE A 36 6.162 -3.314 -4.514 1.00 0.00 C ATOM 0 H PHE A 36 3.760 -5.879 -0.832 1.00 0.00 H new ATOM 0 HA PHE A 36 6.061 -6.509 0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.634 -5.003 -0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.315 -6.492 -1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.164 -6.481 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.150 -2.823 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.720 -5.225 -5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.688 -1.567 -3.389 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.955 -2.763 -5.420 1.00 0.00 H new ATOM 555 N HIS A 37 5.977 -4.019 1.734 1.00 0.00 N ATOM 556 CA HIS A 37 5.731 -2.689 2.362 1.00 0.00 C ATOM 557 C HIS A 37 6.405 -1.528 1.582 1.00 0.00 C ATOM 558 O HIS A 37 7.289 -1.746 0.757 1.00 0.00 O ATOM 559 CB HIS A 37 6.278 -2.760 3.810 1.00 0.00 C ATOM 560 CG HIS A 37 5.347 -3.443 4.800 1.00 0.00 C ATOM 561 ND1 HIS A 37 4.189 -2.862 5.254 1.00 0.00 N ATOM 562 CD2 HIS A 37 5.577 -4.647 5.486 1.00 0.00 C ATOM 563 CE1 HIS A 37 3.831 -3.766 6.202 1.00 0.00 C ATOM 564 NE2 HIS A 37 4.582 -4.891 6.420 1.00 0.00 N ATOM 0 H HIS A 37 6.836 -4.468 2.052 1.00 0.00 H new ATOM 0 HA HIS A 37 4.662 -2.476 2.350 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.230 -3.290 3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.480 -1.747 4.159 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.420 -5.298 5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.942 -3.596 6.792 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.450 -5.667 7.068 1.00 0.00 H new ATOM 572 N TYR A 38 5.974 -0.283 1.862 1.00 0.00 N ATOM 573 CA TYR A 38 6.526 0.941 1.215 1.00 0.00 C ATOM 574 C TYR A 38 6.552 2.122 2.226 1.00 0.00 C ATOM 575 O TYR A 38 5.620 2.303 3.016 1.00 0.00 O ATOM 576 CB TYR A 38 5.727 1.265 -0.092 1.00 0.00 C ATOM 577 CG TYR A 38 4.439 2.127 -0.049 1.00 0.00 C ATOM 578 CD1 TYR A 38 3.220 1.586 0.365 1.00 0.00 C ATOM 579 CD2 TYR A 38 4.466 3.440 -0.531 1.00 0.00 C ATOM 580 CE1 TYR A 38 2.038 2.310 0.225 1.00 0.00 C ATOM 581 CE2 TYR A 38 3.291 4.177 -0.646 1.00 0.00 C ATOM 582 CZ TYR A 38 2.074 3.603 -0.293 1.00 0.00 C ATOM 583 OH TYR A 38 0.905 4.292 -0.485 1.00 0.00 O ATOM 0 H TYR A 38 5.236 -0.089 2.539 1.00 0.00 H new ATOM 0 HA TYR A 38 7.560 0.767 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.419 1.759 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.458 0.311 -0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.193 0.597 0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.407 3.886 -0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.096 1.870 0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.324 5.194 -1.009 1.00 0.00 H new ATOM 0 HH TYR A 38 1.104 5.179 -0.851 1.00 0.00 H new ATOM 593 N ARG A 39 7.599 2.958 2.151 1.00 0.00 N ATOM 594 CA ARG A 39 7.712 4.181 2.988 1.00 0.00 C ATOM 595 C ARG A 39 8.376 5.273 2.128 1.00 0.00 C ATOM 596 O ARG A 39 9.605 5.342 2.002 1.00 0.00 O ATOM 597 CB ARG A 39 8.500 3.894 4.289 1.00 0.00 C ATOM 598 CG ARG A 39 8.209 4.815 5.494 1.00 0.00 C ATOM 599 CD ARG A 39 9.146 6.036 5.568 1.00 0.00 C ATOM 600 NE ARG A 39 9.036 6.755 6.862 1.00 0.00 N ATOM 601 CZ ARG A 39 9.927 6.686 7.871 1.00 0.00 C ATOM 602 NH1 ARG A 39 11.030 5.938 7.848 1.00 0.00 N ATOM 603 NH2 ARG A 39 9.691 7.405 8.951 1.00 0.00 N ATOM 0 H ARG A 39 8.387 2.816 1.519 1.00 0.00 H new ATOM 0 HA ARG A 39 6.727 4.522 3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.297 2.866 4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.564 3.956 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.177 5.161 5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.302 4.238 6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.176 5.710 5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.911 6.721 4.753 1.00 0.00 H new ATOM 0 HE ARG A 39 8.219 7.350 6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.243 5.369 7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.661 5.935 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.856 7.988 9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.343 7.378 9.735 1.00 0.00 H new ATOM 617 N THR A 40 7.532 6.128 1.539 1.00 0.00 N ATOM 618 CA THR A 40 7.992 7.224 0.663 1.00 0.00 C ATOM 619 C THR A 40 8.183 8.497 1.509 1.00 0.00 C ATOM 620 O THR A 40 7.247 8.995 2.138 1.00 0.00 O ATOM 621 CB THR A 40 7.047 7.440 -0.545 1.00 0.00 C ATOM 622 OG1 THR A 40 5.692 7.603 -0.146 1.00 0.00 O ATOM 623 CG2 THR A 40 7.149 6.279 -1.535 1.00 0.00 C ATOM 0 H THR A 40 6.519 6.085 1.651 1.00 0.00 H new ATOM 0 HA THR A 40 8.953 6.954 0.226 1.00 0.00 H new ATOM 0 HB THR A 40 7.371 8.361 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.107 7.497 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.475 6.456 -2.374 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.173 6.202 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.872 5.350 -1.036 1.00 0.00 H new ATOM 631 N LEU A 41 9.425 8.994 1.515 1.00 0.00 N ATOM 632 CA LEU A 41 9.798 10.234 2.221 1.00 0.00 C ATOM 633 C LEU A 41 10.697 11.113 1.310 1.00 0.00 C ATOM 634 O LEU A 41 11.360 10.643 0.379 1.00 0.00 O ATOM 635 CB LEU A 41 10.368 9.902 3.631 1.00 0.00 C ATOM 636 CG LEU A 41 11.823 9.360 3.759 1.00 0.00 C ATOM 637 CD1 LEU A 41 12.400 9.699 5.146 1.00 0.00 C ATOM 638 CD2 LEU A 41 11.930 7.846 3.496 1.00 0.00 C ATOM 0 H LEU A 41 10.205 8.550 1.030 1.00 0.00 H new ATOM 0 HA LEU A 41 8.922 10.851 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.303 10.809 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.704 9.168 4.088 1.00 0.00 H new ATOM 0 HG LEU A 41 12.408 9.856 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.417 9.314 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.410 10.781 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.781 9.243 5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.968 7.531 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.313 7.307 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.584 7.627 2.486 1.00 0.00 H new ATOM 650 N HIS A 42 10.721 12.417 1.609 1.00 0.00 N ATOM 651 CA HIS A 42 11.470 13.428 0.821 1.00 0.00 C ATOM 652 C HIS A 42 13.001 13.299 1.059 1.00 0.00 C ATOM 653 O HIS A 42 13.459 13.106 2.191 1.00 0.00 O ATOM 654 CB HIS A 42 10.899 14.827 1.183 1.00 0.00 C ATOM 655 CG HIS A 42 9.559 15.128 0.494 1.00 0.00 C ATOM 656 ND1 HIS A 42 8.314 14.696 0.916 1.00 0.00 N ATOM 657 CD2 HIS A 42 9.437 15.761 -0.746 1.00 0.00 C ATOM 658 CE1 HIS A 42 7.538 15.147 -0.116 1.00 0.00 C ATOM 659 NE2 HIS A 42 8.115 15.803 -1.173 1.00 0.00 N ATOM 0 H HIS A 42 10.222 12.812 2.406 1.00 0.00 H new ATOM 0 HA HIS A 42 11.338 13.269 -0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.768 14.891 2.263 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.624 15.592 0.904 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.268 16.167 -1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.470 14.986 -0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.700 16.201 -2.016 1.00 0.00 H new ATOM 667 N SER A 43 13.776 13.344 -0.041 1.00 0.00 N ATOM 668 CA SER A 43 15.220 12.975 -0.031 1.00 0.00 C ATOM 669 C SER A 43 16.137 13.985 0.722 1.00 0.00 C ATOM 670 O SER A 43 16.803 13.594 1.685 1.00 0.00 O ATOM 671 CB SER A 43 15.707 12.647 -1.464 1.00 0.00 C ATOM 672 OG SER A 43 15.677 13.780 -2.328 1.00 0.00 O ATOM 0 H SER A 43 13.432 13.633 -0.957 1.00 0.00 H new ATOM 0 HA SER A 43 15.307 12.067 0.565 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.724 12.258 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.083 11.858 -1.884 1.00 0.00 H new ATOM 0 HG SER A 43 15.111 13.585 -3.104 1.00 0.00 H new ATOM 678 N ASP A 44 16.157 15.264 0.294 1.00 0.00 N ATOM 679 CA ASP A 44 16.928 16.351 0.965 1.00 0.00 C ATOM 680 C ASP A 44 16.221 17.753 0.979 1.00 0.00 C ATOM 681 O ASP A 44 16.753 18.668 1.616 1.00 0.00 O ATOM 682 CB ASP A 44 18.350 16.404 0.328 1.00 0.00 C ATOM 683 CG ASP A 44 19.414 17.149 1.149 1.00 0.00 C ATOM 684 OD1 ASP A 44 19.900 16.590 2.156 1.00 0.00 O ATOM 685 OD2 ASP A 44 19.762 18.296 0.791 1.00 0.00 O ATOM 0 H ASP A 44 15.641 15.581 -0.527 1.00 0.00 H new ATOM 0 HA ASP A 44 16.996 16.104 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.693 15.383 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.273 16.878 -0.651 1.00 0.00 H new ATOM 690 N ASP A 45 15.039 17.941 0.346 1.00 0.00 N ATOM 691 CA ASP A 45 14.260 19.212 0.415 1.00 0.00 C ATOM 692 C ASP A 45 13.762 19.564 1.851 1.00 0.00 C ATOM 693 O ASP A 45 14.075 20.651 2.347 1.00 0.00 O ATOM 694 CB ASP A 45 13.099 19.135 -0.611 1.00 0.00 C ATOM 695 CG ASP A 45 12.393 20.471 -0.889 1.00 0.00 C ATOM 696 OD1 ASP A 45 12.885 21.252 -1.732 1.00 0.00 O ATOM 697 OD2 ASP A 45 11.341 20.739 -0.268 1.00 0.00 O ATOM 0 H ASP A 45 14.595 17.222 -0.226 1.00 0.00 H new ATOM 0 HA ASP A 45 14.925 20.036 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.489 18.744 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.361 18.419 -0.250 1.00 0.00 H new ATOM 702 N GLU A 46 13.010 18.648 2.492 1.00 0.00 N ATOM 703 CA GLU A 46 12.615 18.762 3.921 1.00 0.00 C ATOM 704 C GLU A 46 13.139 17.558 4.765 1.00 0.00 C ATOM 705 O GLU A 46 13.504 17.752 5.928 1.00 0.00 O ATOM 706 CB GLU A 46 11.069 18.945 4.040 1.00 0.00 C ATOM 707 CG GLU A 46 10.560 19.791 5.232 1.00 0.00 C ATOM 708 CD GLU A 46 10.875 19.265 6.639 1.00 0.00 C ATOM 709 OE1 GLU A 46 10.351 18.197 7.025 1.00 0.00 O ATOM 710 OE2 GLU A 46 11.658 19.917 7.363 1.00 0.00 O ATOM 0 H GLU A 46 12.656 17.806 2.039 1.00 0.00 H new ATOM 0 HA GLU A 46 13.088 19.651 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.708 19.403 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.613 17.957 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.981 20.793 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.478 19.890 5.141 1.00 0.00 H new ATOM 717 N GLY A 47 13.111 16.325 4.221 1.00 0.00 N ATOM 718 CA GLY A 47 13.107 15.091 5.035 1.00 0.00 C ATOM 719 C GLY A 47 11.739 14.591 5.580 1.00 0.00 C ATOM 720 O GLY A 47 11.734 13.699 6.432 1.00 0.00 O ATOM 0 H GLY A 47 13.091 16.156 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.542 14.292 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.770 15.248 5.886 1.00 0.00 H new ATOM 724 N THR A 48 10.602 15.135 5.097 1.00 0.00 N ATOM 725 CA THR A 48 9.237 14.761 5.567 1.00 0.00 C ATOM 726 C THR A 48 8.746 13.436 4.925 1.00 0.00 C ATOM 727 O THR A 48 8.936 13.206 3.730 1.00 0.00 O ATOM 728 CB THR A 48 8.248 15.941 5.317 1.00 0.00 C ATOM 729 OG1 THR A 48 7.028 15.699 6.009 1.00 0.00 O ATOM 730 CG2 THR A 48 7.907 16.253 3.847 1.00 0.00 C ATOM 0 H THR A 48 10.597 15.848 4.368 1.00 0.00 H new ATOM 0 HA THR A 48 9.279 14.576 6.640 1.00 0.00 H new ATOM 0 HB THR A 48 8.784 16.815 5.688 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.409 16.443 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.212 17.092 3.805 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.819 16.510 3.309 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.448 15.378 3.386 1.00 0.00 H new ATOM 738 N VAL A 49 8.047 12.611 5.717 1.00 0.00 N ATOM 739 CA VAL A 49 7.385 11.380 5.212 1.00 0.00 C ATOM 740 C VAL A 49 5.989 11.770 4.659 1.00 0.00 C ATOM 741 O VAL A 49 5.110 12.253 5.382 1.00 0.00 O ATOM 742 CB VAL A 49 7.420 10.194 6.225 1.00 0.00 C ATOM 743 CG1 VAL A 49 6.932 10.531 7.651 1.00 0.00 C ATOM 744 CG2 VAL A 49 6.676 8.942 5.716 1.00 0.00 C ATOM 0 H VAL A 49 7.920 12.767 6.717 1.00 0.00 H new ATOM 0 HA VAL A 49 7.952 10.960 4.381 1.00 0.00 H new ATOM 0 HB VAL A 49 8.486 9.977 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.996 9.641 8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.558 11.317 8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.898 10.873 7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.737 8.153 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.630 9.189 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.135 8.598 4.789 1.00 0.00 H new ATOM 754 N LEU A 50 5.833 11.516 3.353 1.00 0.00 N ATOM 755 CA LEU A 50 4.540 11.648 2.649 1.00 0.00 C ATOM 756 C LEU A 50 3.608 10.400 2.768 1.00 0.00 C ATOM 757 O LEU A 50 2.386 10.572 2.785 1.00 0.00 O ATOM 758 CB LEU A 50 4.815 12.090 1.181 1.00 0.00 C ATOM 759 CG LEU A 50 5.333 11.020 0.176 1.00 0.00 C ATOM 760 CD1 LEU A 50 4.258 10.668 -0.858 1.00 0.00 C ATOM 761 CD2 LEU A 50 6.647 11.426 -0.510 1.00 0.00 C ATOM 0 H LEU A 50 6.597 11.213 2.750 1.00 0.00 H new ATOM 0 HA LEU A 50 3.958 12.422 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.890 12.504 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.542 12.901 1.208 1.00 0.00 H new ATOM 0 HG LEU A 50 5.554 10.129 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.647 9.919 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.380 10.271 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.981 11.563 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.956 10.639 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.497 12.354 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.421 11.573 0.244 1.00 0.00 H new ATOM 773 N ASP A 51 4.174 9.169 2.822 1.00 0.00 N ATOM 774 CA ASP A 51 3.399 7.912 2.921 1.00 0.00 C ATOM 775 C ASP A 51 4.220 6.856 3.723 1.00 0.00 C ATOM 776 O ASP A 51 5.445 6.769 3.602 1.00 0.00 O ATOM 777 CB ASP A 51 3.001 7.386 1.510 1.00 0.00 C ATOM 778 CG ASP A 51 1.596 6.773 1.456 1.00 0.00 C ATOM 779 OD1 ASP A 51 1.358 5.741 2.120 1.00 0.00 O ATOM 780 OD2 ASP A 51 0.726 7.318 0.741 1.00 0.00 O ATOM 0 H ASP A 51 5.183 9.022 2.798 1.00 0.00 H new ATOM 0 HA ASP A 51 2.470 8.106 3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.057 8.208 0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.727 6.638 1.192 1.00 0.00 H new ATOM 785 N ASP A 52 3.527 6.042 4.541 1.00 0.00 N ATOM 786 CA ASP A 52 4.157 5.038 5.432 1.00 0.00 C ATOM 787 C ASP A 52 3.174 3.853 5.638 1.00 0.00 C ATOM 788 O ASP A 52 2.056 4.026 6.137 1.00 0.00 O ATOM 789 CB ASP A 52 4.645 5.668 6.769 1.00 0.00 C ATOM 790 CG ASP A 52 3.649 6.495 7.609 1.00 0.00 C ATOM 791 OD1 ASP A 52 2.761 5.907 8.265 1.00 0.00 O ATOM 792 OD2 ASP A 52 3.755 7.741 7.606 1.00 0.00 O ATOM 0 H ASP A 52 2.509 6.059 4.606 1.00 0.00 H new ATOM 0 HA ASP A 52 5.059 4.651 4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.016 4.859 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.496 6.310 6.540 1.00 0.00 H new ATOM 797 N SER A 53 3.619 2.649 5.244 1.00 0.00 N ATOM 798 CA SER A 53 2.821 1.394 5.353 1.00 0.00 C ATOM 799 C SER A 53 3.335 0.443 6.462 1.00 0.00 C ATOM 800 O SER A 53 2.533 0.024 7.297 1.00 0.00 O ATOM 801 CB SER A 53 2.733 0.693 3.983 1.00 0.00 C ATOM 802 OG SER A 53 1.781 1.353 3.163 1.00 0.00 O ATOM 0 H SER A 53 4.544 2.507 4.838 1.00 0.00 H new ATOM 0 HA SER A 53 1.814 1.677 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.709 0.699 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.449 -0.351 4.116 1.00 0.00 H new ATOM 0 HG SER A 53 2.162 1.499 2.272 1.00 0.00 H new ATOM 808 N ARG A 54 4.642 0.115 6.494 1.00 0.00 N ATOM 809 CA ARG A 54 5.288 -0.600 7.629 1.00 0.00 C ATOM 810 C ARG A 54 5.297 0.118 9.010 1.00 0.00 C ATOM 811 O ARG A 54 5.372 -0.564 10.036 1.00 0.00 O ATOM 812 CB ARG A 54 6.731 -1.048 7.240 1.00 0.00 C ATOM 813 CG ARG A 54 7.663 -0.057 6.487 1.00 0.00 C ATOM 814 CD ARG A 54 8.097 1.231 7.211 1.00 0.00 C ATOM 815 NE ARG A 54 8.786 0.994 8.505 1.00 0.00 N ATOM 816 CZ ARG A 54 9.047 1.955 9.411 1.00 0.00 C ATOM 817 NH1 ARG A 54 8.768 3.246 9.232 1.00 0.00 N ATOM 818 NH2 ARG A 54 9.614 1.598 10.547 1.00 0.00 N ATOM 0 H ARG A 54 5.287 0.336 5.735 1.00 0.00 H new ATOM 0 HA ARG A 54 4.636 -1.458 7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.240 -1.342 8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.640 -1.943 6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.565 -0.599 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.162 0.233 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.760 1.798 6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.218 1.850 7.388 1.00 0.00 H new ATOM 0 HE ARG A 54 9.080 0.042 8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.329 3.558 8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.993 3.922 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.841 0.618 10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.825 2.301 11.255 1.00 0.00 H new ATOM 832 N ALA A 55 5.177 1.460 9.042 1.00 0.00 N ATOM 833 CA ALA A 55 4.867 2.217 10.275 1.00 0.00 C ATOM 834 C ALA A 55 3.526 1.838 10.982 1.00 0.00 C ATOM 835 O ALA A 55 3.481 1.742 12.210 1.00 0.00 O ATOM 836 CB ALA A 55 4.887 3.708 9.909 1.00 0.00 C ATOM 0 H ALA A 55 5.291 2.050 8.218 1.00 0.00 H new ATOM 0 HA ALA A 55 5.625 1.958 11.014 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.662 4.303 10.794 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.874 3.977 9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.139 3.904 9.141 1.00 0.00 H new ATOM 842 N ARG A 56 2.467 1.595 10.187 1.00 0.00 N ATOM 843 CA ARG A 56 1.196 0.978 10.656 1.00 0.00 C ATOM 844 C ARG A 56 1.232 -0.583 10.801 1.00 0.00 C ATOM 845 O ARG A 56 0.463 -1.125 11.600 1.00 0.00 O ATOM 846 CB ARG A 56 0.051 1.373 9.675 1.00 0.00 C ATOM 847 CG ARG A 56 -0.183 2.878 9.377 1.00 0.00 C ATOM 848 CD ARG A 56 -0.521 3.779 10.583 1.00 0.00 C ATOM 849 NE ARG A 56 -1.837 3.454 11.187 1.00 0.00 N ATOM 850 CZ ARG A 56 -2.319 4.017 12.311 1.00 0.00 C ATOM 851 NH1 ARG A 56 -1.670 4.939 13.020 1.00 0.00 N ATOM 852 NH2 ARG A 56 -3.507 3.631 12.736 1.00 0.00 N ATOM 0 H ARG A 56 2.462 1.820 9.192 1.00 0.00 H new ATOM 0 HA ARG A 56 1.028 1.365 11.661 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.241 0.873 8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.879 0.965 10.070 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.713 3.273 8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.994 2.959 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.257 3.675 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.519 4.822 10.265 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.416 2.757 10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.749 5.259 12.719 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.094 5.325 13.864 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.030 2.926 12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.902 4.037 13.584 1.00 0.00 H new ATOM 866 N GLY A 57 2.061 -1.297 10.008 1.00 0.00 N ATOM 867 CA GLY A 57 1.966 -2.765 9.826 1.00 0.00 C ATOM 868 C GLY A 57 0.979 -3.280 8.744 1.00 0.00 C ATOM 869 O GLY A 57 0.524 -4.421 8.860 1.00 0.00 O ATOM 0 H GLY A 57 2.818 -0.871 9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.960 -3.141 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.682 -3.207 10.781 1.00 0.00 H new ATOM 873 N LYS A 58 0.669 -2.471 7.710 1.00 0.00 N ATOM 874 CA LYS A 58 -0.364 -2.788 6.688 1.00 0.00 C ATOM 875 C LYS A 58 0.317 -2.822 5.280 1.00 0.00 C ATOM 876 O LYS A 58 0.532 -1.746 4.712 1.00 0.00 O ATOM 877 CB LYS A 58 -1.532 -1.756 6.734 1.00 0.00 C ATOM 878 CG LYS A 58 -2.225 -1.480 8.092 1.00 0.00 C ATOM 879 CD LYS A 58 -2.716 -2.698 8.896 1.00 0.00 C ATOM 880 CE LYS A 58 -3.841 -3.494 8.214 1.00 0.00 C ATOM 881 NZ LYS A 58 -4.318 -4.599 9.065 1.00 0.00 N ATOM 0 H LYS A 58 1.128 -1.573 7.555 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.800 -3.765 6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.150 -0.807 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.297 -2.091 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.529 -0.921 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.081 -0.830 7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.872 -3.364 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.066 -2.358 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.672 -2.827 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.481 -3.894 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.076 -5.114 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.531 -5.249 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.684 -4.215 9.960 1.00 0.00 H new ATOM 895 N PRO A 59 0.679 -3.993 4.674 1.00 0.00 N ATOM 896 CA PRO A 59 1.456 -4.043 3.405 1.00 0.00 C ATOM 897 C PRO A 59 0.614 -3.779 2.129 1.00 0.00 C ATOM 898 O PRO A 59 -0.564 -4.142 2.032 1.00 0.00 O ATOM 899 CB PRO A 59 2.058 -5.463 3.432 1.00 0.00 C ATOM 900 CG PRO A 59 1.119 -6.294 4.308 1.00 0.00 C ATOM 901 CD PRO A 59 0.544 -5.312 5.319 1.00 0.00 C ATOM 0 HA PRO A 59 2.202 -3.250 3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.126 -5.879 2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.068 -5.452 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.330 -6.754 3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.656 -7.102 4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.498 -5.539 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.089 -5.350 6.262 1.00 0.00 H new ATOM 909 N MET A 60 1.281 -3.157 1.147 1.00 0.00 N ATOM 910 CA MET A 60 0.719 -2.919 -0.207 1.00 0.00 C ATOM 911 C MET A 60 0.867 -4.160 -1.143 1.00 0.00 C ATOM 912 O MET A 60 1.474 -5.182 -0.803 1.00 0.00 O ATOM 913 CB MET A 60 1.344 -1.611 -0.782 1.00 0.00 C ATOM 914 CG MET A 60 2.879 -1.561 -0.890 1.00 0.00 C ATOM 915 SD MET A 60 3.556 -2.924 -1.844 1.00 0.00 S ATOM 916 CE MET A 60 3.153 -2.430 -3.513 1.00 0.00 C ATOM 0 H MET A 60 2.230 -2.800 1.261 1.00 0.00 H new ATOM 0 HA MET A 60 -0.359 -2.775 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.928 -1.445 -1.776 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.021 -0.778 -0.158 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.175 -0.619 -1.351 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.310 -1.575 0.111 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.284 -3.278 -4.185 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.118 -2.092 -3.552 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.812 -1.618 -3.821 1.00 0.00 H new ATOM 926 N GLU A 61 0.277 -4.030 -2.340 1.00 0.00 N ATOM 927 CA GLU A 61 0.281 -5.078 -3.385 1.00 0.00 C ATOM 928 C GLU A 61 0.465 -4.419 -4.776 1.00 0.00 C ATOM 929 O GLU A 61 -0.352 -3.601 -5.215 1.00 0.00 O ATOM 930 CB GLU A 61 -1.039 -5.893 -3.332 1.00 0.00 C ATOM 931 CG GLU A 61 -1.083 -6.970 -2.226 1.00 0.00 C ATOM 932 CD GLU A 61 -1.786 -6.552 -0.927 1.00 0.00 C ATOM 933 OE1 GLU A 61 -3.005 -6.275 -0.960 1.00 0.00 O ATOM 934 OE2 GLU A 61 -1.124 -6.508 0.134 1.00 0.00 O ATOM 0 H GLU A 61 -0.224 -3.186 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 61 1.109 -5.764 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.871 -5.204 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.192 -6.375 -4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.584 -7.853 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.061 -7.264 -1.988 1.00 0.00 H new ATOM 941 N LEU A 62 1.548 -4.825 -5.458 1.00 0.00 N ATOM 942 CA LEU A 62 1.884 -4.384 -6.833 1.00 0.00 C ATOM 943 C LEU A 62 1.832 -5.630 -7.750 1.00 0.00 C ATOM 944 O LEU A 62 2.409 -6.685 -7.469 1.00 0.00 O ATOM 945 CB LEU A 62 3.273 -3.680 -6.833 1.00 0.00 C ATOM 946 CG LEU A 62 4.013 -3.479 -8.185 1.00 0.00 C ATOM 947 CD1 LEU A 62 3.574 -2.211 -8.914 1.00 0.00 C ATOM 948 CD2 LEU A 62 5.527 -3.580 -8.049 1.00 0.00 C ATOM 0 H LEU A 62 2.228 -5.478 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 62 1.172 -3.651 -7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.145 -2.698 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.932 -4.251 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 62 3.710 -4.313 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.123 -2.122 -9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.505 -2.263 -9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.780 -1.342 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.991 -3.431 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.882 -2.815 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.793 -4.566 -7.667 1.00 0.00 H new ATOM 960 N ILE A 63 1.196 -5.416 -8.906 1.00 0.00 N ATOM 961 CA ILE A 63 1.199 -6.380 -10.036 1.00 0.00 C ATOM 962 C ILE A 63 2.259 -5.842 -11.047 1.00 0.00 C ATOM 963 O ILE A 63 2.263 -4.666 -11.434 1.00 0.00 O ATOM 964 CB ILE A 63 -0.230 -6.586 -10.655 1.00 0.00 C ATOM 965 CG1 ILE A 63 -1.286 -7.216 -9.695 1.00 0.00 C ATOM 966 CG2 ILE A 63 -0.188 -7.500 -11.908 1.00 0.00 C ATOM 967 CD1 ILE A 63 -1.826 -6.291 -8.599 1.00 0.00 C ATOM 0 H ILE A 63 0.660 -4.569 -9.095 1.00 0.00 H new ATOM 0 HA ILE A 63 1.470 -7.384 -9.709 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.537 -5.568 -10.893 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.126 -7.570 -10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.841 -8.090 -9.220 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.196 -7.618 -12.306 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.452 -7.049 -12.666 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.210 -8.477 -11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.552 -6.832 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.003 -5.955 -7.968 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.308 -5.427 -9.057 1.00 0.00 H new ATOM 979 N ILE A 64 3.127 -6.763 -11.493 1.00 0.00 N ATOM 980 CA ILE A 64 4.175 -6.473 -12.516 1.00 0.00 C ATOM 981 C ILE A 64 3.505 -6.449 -13.923 1.00 0.00 C ATOM 982 O ILE A 64 3.260 -7.505 -14.502 1.00 0.00 O ATOM 983 CB ILE A 64 5.399 -7.461 -12.455 1.00 0.00 C ATOM 984 CG1 ILE A 64 6.099 -7.615 -11.074 1.00 0.00 C ATOM 985 CG2 ILE A 64 6.477 -7.166 -13.533 1.00 0.00 C ATOM 986 CD1 ILE A 64 6.694 -6.362 -10.456 1.00 0.00 C ATOM 0 H ILE A 64 3.133 -7.729 -11.164 1.00 0.00 H new ATOM 0 HA ILE A 64 4.605 -5.495 -12.299 1.00 0.00 H new ATOM 0 HB ILE A 64 4.913 -8.415 -12.660 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.374 -8.027 -10.372 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.896 -8.351 -11.179 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.293 -7.882 -13.437 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.033 -7.253 -14.525 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.862 -6.156 -13.395 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.150 -6.610 -9.497 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.452 -5.952 -11.123 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.908 -5.623 -10.303 1.00 0.00 H new ATOM 998 N GLY A 65 3.233 -5.250 -14.468 1.00 0.00 N ATOM 999 CA GLY A 65 2.836 -5.069 -15.889 1.00 0.00 C ATOM 1000 C GLY A 65 1.624 -5.870 -16.417 1.00 0.00 C ATOM 1001 O GLY A 65 1.762 -6.623 -17.385 1.00 0.00 O ATOM 0 H GLY A 65 3.280 -4.377 -13.943 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.628 -4.010 -16.044 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.696 -5.320 -16.509 1.00 0.00 H new ATOM 1005 N LYS A 66 0.466 -5.719 -15.756 1.00 0.00 N ATOM 1006 CA LYS A 66 -0.777 -6.464 -16.096 1.00 0.00 C ATOM 1007 C LYS A 66 -1.995 -5.644 -15.579 1.00 0.00 C ATOM 1008 O LYS A 66 -2.815 -5.229 -16.404 1.00 0.00 O ATOM 1009 CB LYS A 66 -0.726 -7.954 -15.627 1.00 0.00 C ATOM 1010 CG LYS A 66 -1.616 -8.959 -16.398 1.00 0.00 C ATOM 1011 CD LYS A 66 -3.137 -8.912 -16.140 1.00 0.00 C ATOM 1012 CE LYS A 66 -3.558 -9.336 -14.720 1.00 0.00 C ATOM 1013 NZ LYS A 66 -5.024 -9.378 -14.587 1.00 0.00 N ATOM 0 H LYS A 66 0.355 -5.079 -14.969 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.884 -6.557 -17.177 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.307 -8.296 -15.692 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.007 -7.989 -14.575 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.451 -8.804 -17.464 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.267 -9.965 -16.164 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.493 -7.898 -16.323 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.635 -9.560 -16.861 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.142 -10.317 -14.493 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.144 -8.638 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.277 -9.667 -13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.417 -8.435 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.415 -10.062 -15.266 1.00 0.00 H new ATOM 1027 N LYS A 67 -2.115 -5.385 -14.252 1.00 0.00 N ATOM 1028 CA LYS A 67 -3.110 -4.438 -13.690 1.00 0.00 C ATOM 1029 C LYS A 67 -2.482 -3.445 -12.657 1.00 0.00 C ATOM 1030 O LYS A 67 -2.931 -3.361 -11.508 1.00 0.00 O ATOM 1031 CB LYS A 67 -4.378 -5.198 -13.197 1.00 0.00 C ATOM 1032 CG LYS A 67 -4.179 -6.223 -12.052 1.00 0.00 C ATOM 1033 CD LYS A 67 -5.435 -7.011 -11.635 1.00 0.00 C ATOM 1034 CE LYS A 67 -6.455 -6.272 -10.741 1.00 0.00 C ATOM 1035 NZ LYS A 67 -7.326 -5.338 -11.478 1.00 0.00 N ATOM 0 H LYS A 67 -1.527 -5.825 -13.545 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.455 -3.782 -14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.110 -4.460 -12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.813 -5.721 -14.049 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.411 -6.934 -12.355 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.797 -5.695 -11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.949 -7.335 -12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.113 -7.911 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.077 -7.008 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.916 -5.720 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.215 -5.206 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.845 -4.422 -11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.533 -5.727 -12.420 1.00 0.00 H new ATOM 1049 N PHE A 68 -1.488 -2.634 -13.088 1.00 0.00 N ATOM 1050 CA PHE A 68 -0.951 -1.510 -12.286 1.00 0.00 C ATOM 1051 C PHE A 68 -0.496 -0.350 -13.210 1.00 0.00 C ATOM 1052 O PHE A 68 0.093 -0.553 -14.278 1.00 0.00 O ATOM 1053 CB PHE A 68 0.212 -1.978 -11.369 1.00 0.00 C ATOM 1054 CG PHE A 68 0.283 -1.223 -10.030 1.00 0.00 C ATOM 1055 CD1 PHE A 68 -0.420 -1.717 -8.924 1.00 0.00 C ATOM 1056 CD2 PHE A 68 1.087 -0.085 -9.875 1.00 0.00 C ATOM 1057 CE1 PHE A 68 -0.320 -1.086 -7.689 1.00 0.00 C ATOM 1058 CE2 PHE A 68 1.186 0.543 -8.634 1.00 0.00 C ATOM 1059 CZ PHE A 68 0.487 0.036 -7.542 1.00 0.00 C ATOM 0 H PHE A 68 -1.038 -2.740 -13.997 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.751 -1.143 -11.643 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.100 -3.044 -11.170 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.156 -1.850 -11.899 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.043 -2.593 -9.031 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.632 0.307 -10.721 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.871 -1.469 -6.842 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.804 1.421 -8.520 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.572 0.516 -6.578 1.00 0.00 H new ATOM 1069 N LYS A 69 -0.757 0.879 -12.742 1.00 0.00 N ATOM 1070 CA LYS A 69 -0.481 2.124 -13.506 1.00 0.00 C ATOM 1071 C LYS A 69 0.972 2.688 -13.386 1.00 0.00 C ATOM 1072 O LYS A 69 1.439 3.285 -14.359 1.00 0.00 O ATOM 1073 CB LYS A 69 -1.509 3.218 -13.125 1.00 0.00 C ATOM 1074 CG LYS A 69 -2.994 2.985 -13.490 1.00 0.00 C ATOM 1075 CD LYS A 69 -3.825 1.993 -12.640 1.00 0.00 C ATOM 1076 CE LYS A 69 -3.785 2.269 -11.125 1.00 0.00 C ATOM 1077 NZ LYS A 69 -4.812 1.514 -10.384 1.00 0.00 N ATOM 0 H LYS A 69 -1.166 1.048 -11.823 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.581 1.837 -14.553 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.451 3.368 -12.047 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.193 4.150 -13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.498 3.951 -13.456 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.030 2.643 -14.524 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.861 2.024 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.461 0.982 -12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.799 2.010 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.926 3.336 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.742 1.736 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.756 1.779 -10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.664 0.495 -10.527 1.00 0.00 H new ATOM 1091 N LEU A 70 1.651 2.550 -12.226 1.00 0.00 N ATOM 1092 CA LEU A 70 2.961 3.192 -11.942 1.00 0.00 C ATOM 1093 C LEU A 70 4.121 2.165 -12.183 1.00 0.00 C ATOM 1094 O LEU A 70 4.308 1.288 -11.331 1.00 0.00 O ATOM 1095 CB LEU A 70 2.906 3.784 -10.498 1.00 0.00 C ATOM 1096 CG LEU A 70 3.964 4.800 -9.979 1.00 0.00 C ATOM 1097 CD1 LEU A 70 4.991 4.189 -9.022 1.00 0.00 C ATOM 1098 CD2 LEU A 70 4.620 5.672 -11.062 1.00 0.00 C ATOM 0 H LEU A 70 1.305 1.985 -11.451 1.00 0.00 H new ATOM 0 HA LEU A 70 3.168 4.020 -12.620 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.933 4.263 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.921 2.938 -9.811 1.00 0.00 H new ATOM 0 HG LEU A 70 3.366 5.494 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.694 4.958 -8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.479 3.782 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.532 3.391 -9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.341 6.346 -10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.131 5.034 -11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.854 6.256 -11.573 1.00 0.00 H new ATOM 1110 N PRO A 71 4.911 2.215 -13.301 1.00 0.00 N ATOM 1111 CA PRO A 71 5.987 1.224 -13.600 1.00 0.00 C ATOM 1112 C PRO A 71 7.338 1.331 -12.822 1.00 0.00 C ATOM 1113 O PRO A 71 8.122 0.379 -12.862 1.00 0.00 O ATOM 1114 CB PRO A 71 6.198 1.443 -15.114 1.00 0.00 C ATOM 1115 CG PRO A 71 5.908 2.928 -15.340 1.00 0.00 C ATOM 1116 CD PRO A 71 4.754 3.209 -14.379 1.00 0.00 C ATOM 0 HA PRO A 71 5.669 0.232 -13.280 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.215 1.189 -15.412 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.528 0.815 -15.701 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.777 3.546 -15.117 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.629 3.131 -16.374 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.802 4.226 -13.990 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.790 3.104 -14.877 1.00 0.00 H new ATOM 1124 N VAL A 72 7.610 2.458 -12.136 1.00 0.00 N ATOM 1125 CA VAL A 72 8.819 2.625 -11.274 1.00 0.00 C ATOM 1126 C VAL A 72 8.817 1.734 -9.992 1.00 0.00 C ATOM 1127 O VAL A 72 9.879 1.212 -9.658 1.00 0.00 O ATOM 1128 CB VAL A 72 9.165 4.122 -11.024 1.00 0.00 C ATOM 1129 CG1 VAL A 72 8.144 4.909 -10.191 1.00 0.00 C ATOM 1130 CG2 VAL A 72 10.581 4.330 -10.439 1.00 0.00 C ATOM 0 H VAL A 72 7.007 3.281 -12.157 1.00 0.00 H new ATOM 0 HA VAL A 72 9.655 2.228 -11.850 1.00 0.00 H new ATOM 0 HB VAL A 72 9.127 4.538 -12.031 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.483 5.939 -10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.178 4.898 -10.695 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.045 4.450 -9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.760 5.395 -10.288 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.660 3.810 -9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.323 3.932 -11.131 1.00 0.00 H new ATOM 1140 N TRP A 73 7.664 1.503 -9.323 1.00 0.00 N ATOM 1141 CA TRP A 73 7.504 0.410 -8.314 1.00 0.00 C ATOM 1142 C TRP A 73 7.962 -1.005 -8.769 1.00 0.00 C ATOM 1143 O TRP A 73 8.575 -1.715 -7.974 1.00 0.00 O ATOM 1144 CB TRP A 73 6.032 0.410 -7.791 1.00 0.00 C ATOM 1145 CG TRP A 73 5.708 1.449 -6.701 1.00 0.00 C ATOM 1146 CD1 TRP A 73 6.457 2.610 -6.413 1.00 0.00 C ATOM 1147 CD2 TRP A 73 4.653 1.470 -5.801 1.00 0.00 C ATOM 1148 NE1 TRP A 73 5.925 3.329 -5.343 1.00 0.00 N ATOM 1149 CE2 TRP A 73 4.804 2.616 -4.981 1.00 0.00 C ATOM 1150 CE3 TRP A 73 3.548 0.603 -5.615 1.00 0.00 C ATOM 1151 CZ2 TRP A 73 3.871 2.892 -3.962 1.00 0.00 C ATOM 1152 CZ3 TRP A 73 2.621 0.910 -4.611 1.00 0.00 C ATOM 1153 CH2 TRP A 73 2.786 2.033 -3.795 1.00 0.00 C ATOM 0 H TRP A 73 6.820 2.059 -9.460 1.00 0.00 H new ATOM 0 HA TRP A 73 8.197 0.640 -7.504 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.366 0.579 -8.637 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.805 -0.582 -7.400 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.340 2.907 -6.958 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.284 4.187 -4.924 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.423 -0.274 -6.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.994 3.753 -3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.765 0.269 -4.465 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.060 2.239 -3.022 1.00 0.00 H new ATOM 1164 N GLU A 74 7.707 -1.363 -10.038 1.00 0.00 N ATOM 1165 CA GLU A 74 8.144 -2.651 -10.654 1.00 0.00 C ATOM 1166 C GLU A 74 9.679 -2.770 -10.917 1.00 0.00 C ATOM 1167 O GLU A 74 10.252 -3.823 -10.640 1.00 0.00 O ATOM 1168 CB GLU A 74 7.367 -2.891 -11.985 1.00 0.00 C ATOM 1169 CG GLU A 74 5.828 -2.726 -11.984 1.00 0.00 C ATOM 1170 CD GLU A 74 5.160 -2.752 -13.363 1.00 0.00 C ATOM 1171 OE1 GLU A 74 5.719 -3.328 -14.324 1.00 0.00 O ATOM 1172 OE2 GLU A 74 4.048 -2.192 -13.486 1.00 0.00 O ATOM 0 H GLU A 74 7.186 -0.767 -10.682 1.00 0.00 H new ATOM 0 HA GLU A 74 7.911 -3.418 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.773 -2.209 -12.733 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.591 -3.903 -12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.395 -3.520 -11.375 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.582 -1.782 -11.498 1.00 0.00 H new ATOM 1179 N THR A 75 10.325 -1.709 -11.435 1.00 0.00 N ATOM 1180 CA THR A 75 11.809 -1.608 -11.585 1.00 0.00 C ATOM 1181 C THR A 75 12.574 -1.505 -10.219 1.00 0.00 C ATOM 1182 O THR A 75 13.641 -2.113 -10.087 1.00 0.00 O ATOM 1183 CB THR A 75 12.117 -0.412 -12.541 1.00 0.00 C ATOM 1184 OG1 THR A 75 11.366 -0.514 -13.750 1.00 0.00 O ATOM 1185 CG2 THR A 75 13.590 -0.300 -12.958 1.00 0.00 C ATOM 0 H THR A 75 9.834 -0.880 -11.769 1.00 0.00 H new ATOM 0 HA THR A 75 12.183 -2.535 -12.020 1.00 0.00 H new ATOM 0 HB THR A 75 11.845 0.468 -11.958 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.575 0.247 -14.330 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.716 0.556 -13.621 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.210 -0.167 -12.071 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.891 -1.209 -13.478 1.00 0.00 H new ATOM 1193 N ILE A 76 12.019 -0.794 -9.209 1.00 0.00 N ATOM 1194 CA ILE A 76 12.448 -0.872 -7.779 1.00 0.00 C ATOM 1195 C ILE A 76 12.497 -2.357 -7.266 1.00 0.00 C ATOM 1196 O ILE A 76 13.565 -2.818 -6.854 1.00 0.00 O ATOM 1197 CB ILE A 76 11.568 0.106 -6.898 1.00 0.00 C ATOM 1198 CG1 ILE A 76 11.840 1.617 -7.186 1.00 0.00 C ATOM 1199 CG2 ILE A 76 11.660 -0.129 -5.366 1.00 0.00 C ATOM 1200 CD1 ILE A 76 10.763 2.592 -6.674 1.00 0.00 C ATOM 0 H ILE A 76 11.251 -0.140 -9.359 1.00 0.00 H new ATOM 0 HA ILE A 76 13.477 -0.524 -7.686 1.00 0.00 H new ATOM 0 HB ILE A 76 10.556 -0.148 -7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.795 1.889 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.945 1.751 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 76 11.023 0.589 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 76 11.330 -1.141 -5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.692 0.000 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.048 3.614 -6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.807 2.357 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.671 2.497 -5.592 1.00 0.00 H new ATOM 1212 N VAL A 77 11.364 -3.086 -7.311 1.00 0.00 N ATOM 1213 CA VAL A 77 11.285 -4.483 -6.795 1.00 0.00 C ATOM 1214 C VAL A 77 11.805 -5.635 -7.711 1.00 0.00 C ATOM 1215 O VAL A 77 11.907 -6.764 -7.222 1.00 0.00 O ATOM 1216 CB VAL A 77 9.875 -4.809 -6.221 1.00 0.00 C ATOM 1217 CG1 VAL A 77 9.520 -3.932 -5.001 1.00 0.00 C ATOM 1218 CG2 VAL A 77 8.714 -4.956 -7.223 1.00 0.00 C ATOM 0 H VAL A 77 10.487 -2.738 -7.698 1.00 0.00 H new ATOM 0 HA VAL A 77 12.023 -4.468 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 77 9.992 -5.836 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.527 -4.198 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.252 -4.096 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.530 -2.882 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.794 -5.182 -6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.591 -4.025 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.935 -5.765 -7.919 1.00 0.00 H new ATOM 1228 N CYS A 78 12.165 -5.388 -8.986 1.00 0.00 N ATOM 1229 CA CYS A 78 12.823 -6.411 -9.845 1.00 0.00 C ATOM 1230 C CYS A 78 14.216 -6.918 -9.345 1.00 0.00 C ATOM 1231 O CYS A 78 14.537 -8.087 -9.566 1.00 0.00 O ATOM 1232 CB CYS A 78 12.895 -5.882 -11.293 1.00 0.00 C ATOM 1233 SG CYS A 78 13.444 -7.188 -12.444 1.00 0.00 S ATOM 0 H CYS A 78 12.014 -4.492 -9.450 1.00 0.00 H new ATOM 0 HA CYS A 78 12.198 -7.302 -9.792 1.00 0.00 H new ATOM 0 HB2 CYS A 78 11.916 -5.513 -11.598 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.583 -5.038 -11.341 1.00 0.00 H new ATOM 0 HG CYS A 78 14.091 -8.103 -11.785 1.00 0.00 H new ATOM 1239 N THR A 79 15.005 -6.068 -8.652 1.00 0.00 N ATOM 1240 CA THR A 79 16.233 -6.488 -7.907 1.00 0.00 C ATOM 1241 C THR A 79 15.999 -6.886 -6.399 1.00 0.00 C ATOM 1242 O THR A 79 16.965 -6.975 -5.637 1.00 0.00 O ATOM 1243 CB THR A 79 17.311 -5.367 -8.046 1.00 0.00 C ATOM 1244 OG1 THR A 79 16.840 -4.142 -7.488 1.00 0.00 O ATOM 1245 CG2 THR A 79 17.754 -5.094 -9.486 1.00 0.00 C ATOM 0 H THR A 79 14.816 -5.068 -8.588 1.00 0.00 H new ATOM 0 HA THR A 79 16.579 -7.414 -8.366 1.00 0.00 H new ATOM 0 HB THR A 79 18.176 -5.745 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 79 17.457 -3.417 -7.722 1.00 0.00 H new ATOM 0 HG21 THR A 79 18.503 -4.302 -9.492 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.181 -6.001 -9.914 1.00 0.00 H new ATOM 0 HG23 THR A 79 16.894 -4.784 -10.079 1.00 0.00 H new ATOM 1253 N MET A 80 14.744 -7.161 -5.986 1.00 0.00 N ATOM 1254 CA MET A 80 14.363 -7.598 -4.614 1.00 0.00 C ATOM 1255 C MET A 80 13.635 -8.973 -4.689 1.00 0.00 C ATOM 1256 O MET A 80 12.967 -9.276 -5.679 1.00 0.00 O ATOM 1257 CB MET A 80 13.411 -6.560 -3.963 1.00 0.00 C ATOM 1258 CG MET A 80 14.036 -5.217 -3.550 1.00 0.00 C ATOM 1259 SD MET A 80 12.743 -4.063 -3.029 1.00 0.00 S ATOM 1260 CE MET A 80 12.260 -4.697 -1.408 1.00 0.00 C ATOM 0 H MET A 80 13.941 -7.085 -6.610 1.00 0.00 H new ATOM 0 HA MET A 80 15.267 -7.685 -4.012 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.599 -6.357 -4.661 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.965 -7.015 -3.078 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.745 -5.372 -2.737 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.596 -4.795 -4.385 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.184 -4.579 -1.277 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.520 -5.753 -1.338 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.783 -4.142 -0.630 1.00 0.00 H new ATOM 1270 N ARG A 81 13.728 -9.791 -3.623 1.00 0.00 N ATOM 1271 CA ARG A 81 13.078 -11.131 -3.543 1.00 0.00 C ATOM 1272 C ARG A 81 12.402 -11.352 -2.147 1.00 0.00 C ATOM 1273 O ARG A 81 12.378 -10.437 -1.321 1.00 0.00 O ATOM 1274 CB ARG A 81 14.159 -12.182 -3.909 1.00 0.00 C ATOM 1275 CG ARG A 81 15.455 -12.160 -3.050 1.00 0.00 C ATOM 1276 CD ARG A 81 16.017 -13.545 -2.723 1.00 0.00 C ATOM 1277 NE ARG A 81 15.123 -14.201 -1.741 1.00 0.00 N ATOM 1278 CZ ARG A 81 14.353 -15.284 -1.990 1.00 0.00 C ATOM 1279 NH1 ARG A 81 14.302 -15.921 -3.152 1.00 0.00 N ATOM 1280 NH2 ARG A 81 13.598 -15.753 -1.025 1.00 0.00 N ATOM 0 H ARG A 81 14.256 -9.548 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 81 12.254 -11.225 -4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.713 -13.174 -3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.437 -12.038 -4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.217 -11.587 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.250 -11.634 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.089 -14.147 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.025 -13.458 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 81 15.085 -13.804 -0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.870 -15.599 -3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.695 -16.733 -3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.600 -15.302 -0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.009 -16.569 -1.189 1.00 0.00 H new ATOM 1294 N GLU A 82 11.836 -12.551 -1.862 1.00 0.00 N ATOM 1295 CA GLU A 82 11.074 -12.825 -0.600 1.00 0.00 C ATOM 1296 C GLU A 82 11.958 -12.688 0.673 1.00 0.00 C ATOM 1297 O GLU A 82 12.898 -13.460 0.891 1.00 0.00 O ATOM 1298 CB GLU A 82 10.380 -14.217 -0.601 1.00 0.00 C ATOM 1299 CG GLU A 82 9.351 -14.452 -1.721 1.00 0.00 C ATOM 1300 CD GLU A 82 8.647 -15.807 -1.644 1.00 0.00 C ATOM 1301 OE1 GLU A 82 9.196 -16.802 -2.167 1.00 0.00 O ATOM 1302 OE2 GLU A 82 7.539 -15.883 -1.069 1.00 0.00 O ATOM 0 H GLU A 82 11.889 -13.354 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 82 10.300 -12.058 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.150 -14.986 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.882 -14.354 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.601 -13.662 -1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.853 -14.369 -2.685 1.00 0.00 H new ATOM 1309 N GLY A 83 11.653 -11.660 1.478 1.00 0.00 N ATOM 1310 CA GLY A 83 12.492 -11.278 2.639 1.00 0.00 C ATOM 1311 C GLY A 83 13.636 -10.252 2.417 1.00 0.00 C ATOM 1312 O GLY A 83 14.445 -10.093 3.334 1.00 0.00 O ATOM 0 H GLY A 83 10.829 -11.072 1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.832 -10.878 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.936 -12.188 3.042 1.00 0.00 H new ATOM 1316 N GLU A 84 13.718 -9.564 1.257 1.00 0.00 N ATOM 1317 CA GLU A 84 14.784 -8.574 0.956 1.00 0.00 C ATOM 1318 C GLU A 84 14.276 -7.143 1.260 1.00 0.00 C ATOM 1319 O GLU A 84 13.178 -6.758 0.858 1.00 0.00 O ATOM 1320 CB GLU A 84 15.240 -8.738 -0.517 1.00 0.00 C ATOM 1321 CG GLU A 84 16.446 -7.851 -0.908 1.00 0.00 C ATOM 1322 CD GLU A 84 17.274 -8.319 -2.109 1.00 0.00 C ATOM 1323 OE1 GLU A 84 17.556 -9.532 -2.236 1.00 0.00 O ATOM 1324 OE2 GLU A 84 17.686 -7.458 -2.915 1.00 0.00 O ATOM 0 H GLU A 84 13.046 -9.678 0.498 1.00 0.00 H new ATOM 0 HA GLU A 84 15.652 -8.749 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.499 -9.782 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.402 -8.503 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.078 -6.847 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.108 -7.775 -0.045 1.00 0.00 H new ATOM 1331 N ILE A 85 15.112 -6.369 1.964 1.00 0.00 N ATOM 1332 CA ILE A 85 14.749 -5.019 2.470 1.00 0.00 C ATOM 1333 C ILE A 85 15.734 -4.037 1.787 1.00 0.00 C ATOM 1334 O ILE A 85 16.944 -4.134 2.001 1.00 0.00 O ATOM 1335 CB ILE A 85 14.774 -4.943 4.038 1.00 0.00 C ATOM 1336 CG1 ILE A 85 13.922 -6.033 4.767 1.00 0.00 C ATOM 1337 CG2 ILE A 85 14.285 -3.561 4.527 1.00 0.00 C ATOM 1338 CD1 ILE A 85 14.687 -7.313 5.130 1.00 0.00 C ATOM 0 H ILE A 85 16.062 -6.652 2.204 1.00 0.00 H new ATOM 0 HA ILE A 85 13.720 -4.760 2.220 1.00 0.00 H new ATOM 0 HB ILE A 85 15.818 -5.120 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.510 -5.602 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.078 -6.299 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.311 -3.531 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.935 -2.783 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.264 -3.394 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 85 14.014 -8.009 5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.076 -7.774 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.515 -7.066 5.795 1.00 0.00 H new ATOM 1350 N ALA A 86 15.201 -3.104 0.979 1.00 0.00 N ATOM 1351 CA ALA A 86 16.021 -2.146 0.198 1.00 0.00 C ATOM 1352 C ALA A 86 15.408 -0.728 0.212 1.00 0.00 C ATOM 1353 O ALA A 86 14.205 -0.546 0.001 1.00 0.00 O ATOM 1354 CB ALA A 86 16.188 -2.665 -1.240 1.00 0.00 C ATOM 0 H ALA A 86 14.196 -2.988 0.846 1.00 0.00 H new ATOM 0 HA ALA A 86 17.003 -2.070 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.791 -1.961 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.684 -3.635 -1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.208 -2.767 -1.706 1.00 0.00 H new ATOM 1360 N GLN A 87 16.273 0.273 0.457 1.00 0.00 N ATOM 1361 CA GLN A 87 15.865 1.690 0.630 1.00 0.00 C ATOM 1362 C GLN A 87 16.736 2.564 -0.288 1.00 0.00 C ATOM 1363 O GLN A 87 17.969 2.563 -0.175 1.00 0.00 O ATOM 1364 CB GLN A 87 15.967 2.044 2.139 1.00 0.00 C ATOM 1365 CG GLN A 87 15.660 3.490 2.584 1.00 0.00 C ATOM 1366 CD GLN A 87 16.845 4.461 2.517 1.00 0.00 C ATOM 1367 OE1 GLN A 87 17.715 4.497 3.386 1.00 0.00 O ATOM 1368 NE2 GLN A 87 16.874 5.268 1.478 1.00 0.00 N ATOM 0 H GLN A 87 17.279 0.127 0.542 1.00 0.00 H new ATOM 0 HA GLN A 87 14.831 1.870 0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.292 1.381 2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 87 16.979 1.805 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.855 3.881 1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.288 3.466 3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 87 16.140 5.217 0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.631 5.945 1.379 1.00 0.00 H new ATOM 1377 N PHE A 88 16.075 3.305 -1.203 1.00 0.00 N ATOM 1378 CA PHE A 88 16.770 3.982 -2.322 1.00 0.00 C ATOM 1379 C PHE A 88 15.867 4.974 -3.107 1.00 0.00 C ATOM 1380 O PHE A 88 14.642 4.821 -3.181 1.00 0.00 O ATOM 1381 CB PHE A 88 17.425 2.942 -3.264 1.00 0.00 C ATOM 1382 CG PHE A 88 16.531 1.951 -4.029 1.00 0.00 C ATOM 1383 CD1 PHE A 88 16.243 0.703 -3.467 1.00 0.00 C ATOM 1384 CD2 PHE A 88 16.139 2.222 -5.346 1.00 0.00 C ATOM 1385 CE1 PHE A 88 15.615 -0.277 -4.226 1.00 0.00 C ATOM 1386 CE2 PHE A 88 15.548 1.226 -6.115 1.00 0.00 C ATOM 1387 CZ PHE A 88 15.312 -0.027 -5.560 1.00 0.00 C ATOM 0 H PHE A 88 15.065 3.450 -1.190 1.00 0.00 H new ATOM 0 HA PHE A 88 17.553 4.594 -1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 88 18.011 3.491 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.127 2.358 -2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 88 16.509 0.500 -2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 88 16.296 3.205 -5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 88 15.363 -1.229 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 88 15.273 1.425 -7.140 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.890 -0.812 -6.170 1.00 0.00 H new ATOM 1397 N LEU A 89 16.521 5.962 -3.749 1.00 0.00 N ATOM 1398 CA LEU A 89 15.839 7.015 -4.554 1.00 0.00 C ATOM 1399 C LEU A 89 15.544 6.623 -6.033 1.00 0.00 C ATOM 1400 O LEU A 89 16.190 5.737 -6.605 1.00 0.00 O ATOM 1401 CB LEU A 89 16.561 8.398 -4.427 1.00 0.00 C ATOM 1402 CG LEU A 89 18.088 8.526 -4.714 1.00 0.00 C ATOM 1403 CD1 LEU A 89 18.472 8.291 -6.189 1.00 0.00 C ATOM 1404 CD2 LEU A 89 18.594 9.910 -4.257 1.00 0.00 C ATOM 0 H LEU A 89 17.536 6.059 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 89 14.849 7.116 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 89 16.049 9.090 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 89 16.394 8.755 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 89 18.570 7.732 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.550 8.398 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.172 7.286 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.965 9.023 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.662 9.992 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 89 18.060 10.690 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.418 10.027 -3.188 1.00 0.00 H new ATOM 1416 N CYS A 90 14.577 7.339 -6.650 1.00 0.00 N ATOM 1417 CA CYS A 90 14.360 7.312 -8.120 1.00 0.00 C ATOM 1418 C CYS A 90 14.265 8.751 -8.691 1.00 0.00 C ATOM 1419 O CYS A 90 13.745 9.668 -8.043 1.00 0.00 O ATOM 1420 CB CYS A 90 13.084 6.529 -8.491 1.00 0.00 C ATOM 1421 SG CYS A 90 13.142 4.831 -7.825 1.00 0.00 S ATOM 0 H CYS A 90 13.929 7.948 -6.151 1.00 0.00 H new ATOM 0 HA CYS A 90 15.219 6.805 -8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 90 12.208 7.047 -8.100 1.00 0.00 H new ATOM 0 HB3 CYS A 90 12.976 6.495 -9.575 1.00 0.00 H new ATOM 0 HG CYS A 90 12.656 4.004 -8.702 1.00 0.00 H new ATOM 1427 N ASP A 91 14.721 8.923 -9.948 1.00 0.00 N ATOM 1428 CA ASP A 91 14.643 10.218 -10.676 1.00 0.00 C ATOM 1429 C ASP A 91 13.180 10.576 -11.080 1.00 0.00 C ATOM 1430 O ASP A 91 12.362 9.695 -11.362 1.00 0.00 O ATOM 1431 CB ASP A 91 15.611 10.141 -11.891 1.00 0.00 C ATOM 1432 CG ASP A 91 15.945 11.494 -12.536 1.00 0.00 C ATOM 1433 OD1 ASP A 91 16.855 12.192 -12.036 1.00 0.00 O ATOM 1434 OD2 ASP A 91 15.295 11.869 -13.537 1.00 0.00 O ATOM 0 H ASP A 91 15.153 8.175 -10.490 1.00 0.00 H new ATOM 0 HA ASP A 91 14.954 11.035 -10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.539 9.669 -11.569 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.170 9.493 -12.648 1.00 0.00 H new ATOM 1439 N ILE A 92 12.877 11.888 -11.108 1.00 0.00 N ATOM 1440 CA ILE A 92 11.543 12.436 -11.494 1.00 0.00 C ATOM 1441 C ILE A 92 10.958 12.047 -12.880 1.00 0.00 C ATOM 1442 O ILE A 92 9.736 11.943 -12.976 1.00 0.00 O ATOM 1443 CB ILE A 92 11.424 13.990 -11.272 1.00 0.00 C ATOM 1444 CG1 ILE A 92 12.736 14.829 -11.392 1.00 0.00 C ATOM 1445 CG2 ILE A 92 10.665 14.255 -9.962 1.00 0.00 C ATOM 1446 CD1 ILE A 92 12.548 16.348 -11.523 1.00 0.00 C ATOM 0 H ILE A 92 13.552 12.612 -10.862 1.00 0.00 H new ATOM 0 HA ILE A 92 10.908 11.904 -10.786 1.00 0.00 H new ATOM 0 HB ILE A 92 10.857 14.363 -12.125 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.352 14.632 -10.515 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.294 14.475 -12.259 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.579 15.330 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.669 13.817 -10.024 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.208 13.807 -9.130 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.523 16.830 -11.599 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.964 16.567 -12.417 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.024 16.727 -10.646 1.00 0.00 H new ATOM 1458 N LYS A 93 11.768 11.790 -13.920 1.00 0.00 N ATOM 1459 CA LYS A 93 11.283 11.109 -15.166 1.00 0.00 C ATOM 1460 C LYS A 93 10.537 9.735 -15.000 1.00 0.00 C ATOM 1461 O LYS A 93 9.716 9.378 -15.850 1.00 0.00 O ATOM 1462 CB LYS A 93 12.459 11.004 -16.177 1.00 0.00 C ATOM 1463 CG LYS A 93 13.573 9.986 -15.829 1.00 0.00 C ATOM 1464 CD LYS A 93 14.850 10.169 -16.672 1.00 0.00 C ATOM 1465 CE LYS A 93 15.969 9.190 -16.277 1.00 0.00 C ATOM 1466 NZ LYS A 93 17.217 9.451 -17.012 1.00 0.00 N ATOM 0 H LYS A 93 12.758 12.036 -13.938 1.00 0.00 H new ATOM 0 HA LYS A 93 10.486 11.751 -15.542 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.049 10.743 -17.153 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.914 11.989 -16.276 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.826 10.082 -14.773 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.191 8.976 -15.975 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.607 10.031 -17.726 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.211 11.191 -16.559 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.156 9.267 -15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.642 8.168 -16.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.944 8.769 -16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.046 9.352 -18.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.545 10.417 -16.808 1.00 0.00 H new ATOM 1480 N HIS A 94 10.833 8.990 -13.918 1.00 0.00 N ATOM 1481 CA HIS A 94 10.156 7.722 -13.551 1.00 0.00 C ATOM 1482 C HIS A 94 8.993 7.970 -12.536 1.00 0.00 C ATOM 1483 O HIS A 94 7.923 7.377 -12.708 1.00 0.00 O ATOM 1484 CB HIS A 94 11.182 6.702 -12.986 1.00 0.00 C ATOM 1485 CG HIS A 94 12.442 6.420 -13.809 1.00 0.00 C ATOM 1486 ND1 HIS A 94 12.493 5.684 -14.979 1.00 0.00 N ATOM 1487 CD2 HIS A 94 13.723 6.896 -13.487 1.00 0.00 C ATOM 1488 CE1 HIS A 94 13.831 5.781 -15.254 1.00 0.00 C ATOM 1489 NE2 HIS A 94 14.660 6.485 -14.417 1.00 0.00 N ATOM 0 H HIS A 94 11.564 9.255 -13.258 1.00 0.00 H new ATOM 0 HA HIS A 94 9.716 7.301 -14.455 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.497 7.054 -12.004 1.00 0.00 H new ATOM 0 HB3 HIS A 94 10.663 5.755 -12.834 1.00 0.00 H new ATOM 0 HD2 HIS A 94 13.948 7.505 -12.624 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.235 5.302 -16.133 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.665 6.654 -14.466 1.00 0.00 H new ATOM 1497 N VAL A 95 9.187 8.824 -11.496 1.00 0.00 N ATOM 1498 CA VAL A 95 8.131 9.160 -10.487 1.00 0.00 C ATOM 1499 C VAL A 95 7.248 10.415 -10.836 1.00 0.00 C ATOM 1500 O VAL A 95 6.625 11.000 -9.945 1.00 0.00 O ATOM 1501 CB VAL A 95 8.765 9.240 -9.052 1.00 0.00 C ATOM 1502 CG1 VAL A 95 9.462 7.932 -8.625 1.00 0.00 C ATOM 1503 CG2 VAL A 95 9.729 10.421 -8.801 1.00 0.00 C ATOM 0 H VAL A 95 10.073 9.300 -11.329 1.00 0.00 H new ATOM 0 HA VAL A 95 7.413 8.340 -10.511 1.00 0.00 H new ATOM 0 HB VAL A 95 7.886 9.416 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.879 8.052 -7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.737 7.118 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.263 7.701 -9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.104 10.373 -7.779 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.565 10.362 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.198 11.362 -8.949 1.00 0.00 H new ATOM 1513 N VAL A 96 7.141 10.791 -12.128 1.00 0.00 N ATOM 1514 CA VAL A 96 6.277 11.912 -12.616 1.00 0.00 C ATOM 1515 C VAL A 96 4.743 11.664 -12.396 1.00 0.00 C ATOM 1516 O VAL A 96 4.031 12.571 -11.955 1.00 0.00 O ATOM 1517 CB VAL A 96 6.718 12.329 -14.081 1.00 0.00 C ATOM 1518 CG1 VAL A 96 5.661 12.252 -15.210 1.00 0.00 C ATOM 1519 CG2 VAL A 96 7.353 13.739 -14.118 1.00 0.00 C ATOM 0 H VAL A 96 7.653 10.326 -12.878 1.00 0.00 H new ATOM 0 HA VAL A 96 6.444 12.790 -11.992 1.00 0.00 H new ATOM 0 HB VAL A 96 7.440 11.543 -14.305 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.111 12.567 -16.152 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.303 11.227 -15.304 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.824 12.908 -14.970 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.640 13.982 -15.141 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.631 14.473 -13.759 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.236 13.757 -13.480 1.00 0.00 H new ATOM 1529 N LEU A 97 4.275 10.441 -12.709 1.00 0.00 N ATOM 1530 CA LEU A 97 2.898 9.965 -12.410 1.00 0.00 C ATOM 1531 C LEU A 97 2.711 9.147 -11.086 1.00 0.00 C ATOM 1532 O LEU A 97 1.631 8.594 -10.873 1.00 0.00 O ATOM 1533 CB LEU A 97 2.355 9.203 -13.658 1.00 0.00 C ATOM 1534 CG LEU A 97 3.131 7.918 -14.101 1.00 0.00 C ATOM 1535 CD1 LEU A 97 2.191 6.726 -14.356 1.00 0.00 C ATOM 1536 CD2 LEU A 97 4.034 8.153 -15.327 1.00 0.00 C ATOM 0 H LEU A 97 4.845 9.741 -13.183 1.00 0.00 H new ATOM 0 HA LEU A 97 2.305 10.857 -12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.321 8.922 -13.459 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.341 9.897 -14.499 1.00 0.00 H new ATOM 0 HG LEU A 97 3.777 7.671 -13.259 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.777 5.859 -14.661 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.645 6.492 -13.442 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.485 6.982 -15.146 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.545 7.226 -15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.425 8.479 -16.170 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.772 8.921 -15.094 1.00 0.00 H new ATOM 1548 N TYR A 98 3.689 9.137 -10.158 1.00 0.00 N ATOM 1549 CA TYR A 98 3.477 8.708 -8.750 1.00 0.00 C ATOM 1550 C TYR A 98 2.385 9.501 -7.943 1.00 0.00 C ATOM 1551 O TYR A 98 1.581 8.800 -7.322 1.00 0.00 O ATOM 1552 CB TYR A 98 4.855 8.675 -8.029 1.00 0.00 C ATOM 1553 CG TYR A 98 4.826 8.198 -6.563 1.00 0.00 C ATOM 1554 CD1 TYR A 98 4.273 6.957 -6.221 1.00 0.00 C ATOM 1555 CD2 TYR A 98 5.188 9.088 -5.546 1.00 0.00 C ATOM 1556 CE1 TYR A 98 4.030 6.640 -4.889 1.00 0.00 C ATOM 1557 CE2 TYR A 98 4.970 8.756 -4.213 1.00 0.00 C ATOM 1558 CZ TYR A 98 4.368 7.544 -3.885 1.00 0.00 C ATOM 1559 OH TYR A 98 4.069 7.252 -2.581 1.00 0.00 O ATOM 0 H TYR A 98 4.647 9.424 -10.357 1.00 0.00 H new ATOM 0 HA TYR A 98 3.044 7.708 -8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.524 8.024 -8.591 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.285 9.676 -8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.034 6.243 -6.996 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.639 10.037 -5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.579 5.693 -4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.268 9.439 -3.431 1.00 0.00 H new ATOM 0 HH TYR A 98 3.424 6.515 -2.550 1.00 0.00 H new ATOM 1569 N PRO A 99 2.272 10.866 -7.886 1.00 0.00 N ATOM 1570 CA PRO A 99 1.091 11.542 -7.278 1.00 0.00 C ATOM 1571 C PRO A 99 -0.295 11.284 -7.952 1.00 0.00 C ATOM 1572 O PRO A 99 -1.317 11.412 -7.276 1.00 0.00 O ATOM 1573 CB PRO A 99 1.493 13.026 -7.319 1.00 0.00 C ATOM 1574 CG PRO A 99 2.449 13.154 -8.506 1.00 0.00 C ATOM 1575 CD PRO A 99 3.139 11.803 -8.626 1.00 0.00 C ATOM 0 HA PRO A 99 0.899 11.144 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 99 0.620 13.666 -7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.977 13.328 -6.390 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.908 13.400 -9.420 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.174 13.951 -8.341 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.244 11.504 -9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.142 11.833 -8.201 1.00 0.00 H new ATOM 1583 N LEU A 100 -0.331 10.904 -9.248 1.00 0.00 N ATOM 1584 CA LEU A 100 -1.586 10.523 -9.951 1.00 0.00 C ATOM 1585 C LEU A 100 -2.087 9.096 -9.555 1.00 0.00 C ATOM 1586 O LEU A 100 -3.287 8.903 -9.341 1.00 0.00 O ATOM 1587 CB LEU A 100 -1.420 10.651 -11.499 1.00 0.00 C ATOM 1588 CG LEU A 100 -0.707 11.906 -12.091 1.00 0.00 C ATOM 1589 CD1 LEU A 100 -0.708 11.867 -13.631 1.00 0.00 C ATOM 1590 CD2 LEU A 100 -1.250 13.255 -11.584 1.00 0.00 C ATOM 0 H LEU A 100 0.500 10.851 -9.837 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.354 11.225 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.875 9.772 -11.843 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.416 10.602 -11.940 1.00 0.00 H new ATOM 0 HG LEU A 100 0.317 11.848 -11.723 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.205 12.753 -14.018 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.184 10.974 -13.973 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.736 11.846 -13.994 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.694 14.069 -12.049 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.305 13.342 -11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.135 13.310 -10.501 1.00 0.00 H new ATOM 1602 N VAL A 101 -1.160 8.120 -9.459 1.00 0.00 N ATOM 1603 CA VAL A 101 -1.459 6.700 -9.120 1.00 0.00 C ATOM 1604 C VAL A 101 -1.641 6.426 -7.600 1.00 0.00 C ATOM 1605 O VAL A 101 -2.411 5.532 -7.254 1.00 0.00 O ATOM 1606 CB VAL A 101 -0.395 5.743 -9.747 1.00 0.00 C ATOM 1607 CG1 VAL A 101 -0.658 4.244 -9.434 1.00 0.00 C ATOM 1608 CG2 VAL A 101 -0.307 5.924 -11.276 1.00 0.00 C ATOM 0 H VAL A 101 -0.167 8.292 -9.616 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.432 6.491 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 101 0.551 6.023 -9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.117 3.634 -9.898 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.643 4.090 -8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.632 3.955 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.442 5.244 -11.680 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.276 5.705 -11.725 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.025 6.952 -11.505 1.00 0.00 H new ATOM 1618 N ALA A 102 -0.971 7.160 -6.702 1.00 0.00 N ATOM 1619 CA ALA A 102 -1.378 7.239 -5.272 1.00 0.00 C ATOM 1620 C ALA A 102 -2.856 7.637 -4.989 1.00 0.00 C ATOM 1621 O ALA A 102 -3.432 7.118 -4.028 1.00 0.00 O ATOM 1622 CB ALA A 102 -0.460 8.242 -4.561 1.00 0.00 C ATOM 0 H ALA A 102 -0.144 7.711 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.285 6.220 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.743 8.313 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.574 7.905 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.558 9.221 -5.031 1.00 0.00 H new ATOM 1628 N LYS A 103 -3.471 8.492 -5.841 1.00 0.00 N ATOM 1629 CA LYS A 103 -4.946 8.671 -5.856 1.00 0.00 C ATOM 1630 C LYS A 103 -5.708 7.663 -6.807 1.00 0.00 C ATOM 1631 O LYS A 103 -6.721 8.001 -7.429 1.00 0.00 O ATOM 1632 CB LYS A 103 -5.255 10.159 -6.180 1.00 0.00 C ATOM 1633 CG LYS A 103 -5.071 11.158 -5.013 1.00 0.00 C ATOM 1634 CD LYS A 103 -3.655 11.743 -4.798 1.00 0.00 C ATOM 1635 CE LYS A 103 -3.340 13.045 -5.565 1.00 0.00 C ATOM 1636 NZ LYS A 103 -4.034 14.225 -5.016 1.00 0.00 N ATOM 0 H LYS A 103 -2.974 9.065 -6.523 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.332 8.424 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.614 10.472 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.284 10.228 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.759 11.989 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.374 10.660 -4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.518 11.929 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.923 10.988 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.265 13.221 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.621 12.920 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.782 15.066 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.062 14.075 -5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.748 14.367 -4.026 1.00 0.00 H new ATOM 1650 N SER A 104 -5.249 6.400 -6.857 1.00 0.00 N ATOM 1651 CA SER A 104 -5.878 5.273 -7.599 1.00 0.00 C ATOM 1652 C SER A 104 -5.629 3.918 -6.866 1.00 0.00 C ATOM 1653 O SER A 104 -6.581 3.164 -6.668 1.00 0.00 O ATOM 1654 CB SER A 104 -5.408 5.198 -9.072 1.00 0.00 C ATOM 1655 OG SER A 104 -5.767 6.368 -9.798 1.00 0.00 O ATOM 0 H SER A 104 -4.400 6.117 -6.367 1.00 0.00 H new ATOM 0 HA SER A 104 -6.951 5.466 -7.619 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.326 5.068 -9.103 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.848 4.323 -9.551 1.00 0.00 H new ATOM 0 HG SER A 104 -6.245 6.986 -9.207 1.00 0.00 H new ATOM 1661 N LEU A 105 -4.393 3.607 -6.409 1.00 0.00 N ATOM 1662 CA LEU A 105 -4.125 2.519 -5.424 1.00 0.00 C ATOM 1663 C LEU A 105 -4.896 2.611 -4.057 1.00 0.00 C ATOM 1664 O LEU A 105 -5.184 1.570 -3.462 1.00 0.00 O ATOM 1665 CB LEU A 105 -2.581 2.320 -5.318 1.00 0.00 C ATOM 1666 CG LEU A 105 -1.749 3.230 -4.367 1.00 0.00 C ATOM 1667 CD1 LEU A 105 -1.674 2.687 -2.923 1.00 0.00 C ATOM 1668 CD2 LEU A 105 -0.324 3.449 -4.911 1.00 0.00 C ATOM 0 H LEU A 105 -3.551 4.099 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.569 1.601 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.406 1.287 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.169 2.433 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.276 4.183 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.081 3.365 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.680 2.610 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.208 1.702 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.233 4.088 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.182 2.488 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.377 3.926 -5.890 1.00 0.00 H new ATOM 2135 N ASP A 137 1.492 16.545 1.066 1.00 0.00 N ATOM 2136 CA ASP A 137 2.888 16.075 0.848 1.00 0.00 C ATOM 2137 C ASP A 137 3.125 15.441 -0.558 1.00 0.00 C ATOM 2138 O ASP A 137 4.116 15.791 -1.203 1.00 0.00 O ATOM 2139 CB ASP A 137 3.277 15.082 1.965 1.00 0.00 C ATOM 2140 CG ASP A 137 3.382 15.641 3.392 1.00 0.00 C ATOM 2141 OD1 ASP A 137 4.443 16.202 3.745 1.00 0.00 O ATOM 2142 OD2 ASP A 137 2.407 15.512 4.165 1.00 0.00 O ATOM 0 HA ASP A 137 3.529 16.956 0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 137 2.544 14.275 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.238 14.638 1.704 1.00 0.00 H new ATOM 2147 N LEU A 138 2.243 14.536 -1.049 1.00 0.00 N ATOM 2148 CA LEU A 138 2.214 14.147 -2.491 1.00 0.00 C ATOM 2149 C LEU A 138 1.627 15.244 -3.448 1.00 0.00 C ATOM 2150 O LEU A 138 2.016 15.268 -4.620 1.00 0.00 O ATOM 2151 CB LEU A 138 1.546 12.762 -2.740 1.00 0.00 C ATOM 2152 CG LEU A 138 0.219 12.435 -2.000 1.00 0.00 C ATOM 2153 CD1 LEU A 138 -0.697 11.566 -2.870 1.00 0.00 C ATOM 2154 CD2 LEU A 138 0.451 11.719 -0.649 1.00 0.00 C ATOM 0 H LEU A 138 1.545 14.062 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 138 3.268 14.053 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.360 12.671 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 138 2.271 11.992 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.257 13.395 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.618 11.352 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -0.934 12.097 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -0.191 10.630 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.509 11.515 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 138 0.978 10.780 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 138 1.048 12.356 0.003 1.00 0.00 H new ATOM 2166 N ASP A 139 0.743 16.155 -2.972 1.00 0.00 N ATOM 2167 CA ASP A 139 0.346 17.370 -3.743 1.00 0.00 C ATOM 2168 C ASP A 139 1.430 18.505 -3.816 1.00 0.00 C ATOM 2169 O ASP A 139 1.359 19.334 -4.726 1.00 0.00 O ATOM 2170 CB ASP A 139 -1.024 17.875 -3.218 1.00 0.00 C ATOM 2171 CG ASP A 139 -1.745 18.882 -4.126 1.00 0.00 C ATOM 2172 OD1 ASP A 139 -2.426 18.455 -5.083 1.00 0.00 O ATOM 2173 OD2 ASP A 139 -1.623 20.104 -3.887 1.00 0.00 O ATOM 0 H ASP A 139 0.290 16.076 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 139 0.252 17.068 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -1.676 17.015 -3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -0.873 18.335 -2.241 1.00 0.00 H new ATOM 2178 N ALA A 140 2.457 18.521 -2.935 1.00 0.00 N ATOM 2179 CA ALA A 140 3.722 19.268 -3.170 1.00 0.00 C ATOM 2180 C ALA A 140 4.510 18.930 -4.476 1.00 0.00 C ATOM 2181 O ALA A 140 5.169 19.822 -5.011 1.00 0.00 O ATOM 2182 CB ALA A 140 4.641 19.079 -1.952 1.00 0.00 C ATOM 0 H ALA A 140 2.436 18.021 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 140 3.412 20.304 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.573 19.622 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.146 19.462 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 140 4.857 18.019 -1.820 1.00 0.00 H new ATOM 2188 N LEU A 141 4.426 17.689 -5.000 1.00 0.00 N ATOM 2189 CA LEU A 141 4.949 17.321 -6.350 1.00 0.00 C ATOM 2190 C LEU A 141 4.178 17.938 -7.556 1.00 0.00 C ATOM 2191 O LEU A 141 4.799 18.311 -8.553 1.00 0.00 O ATOM 2192 CB LEU A 141 4.987 15.772 -6.556 1.00 0.00 C ATOM 2193 CG LEU A 141 5.406 14.858 -5.377 1.00 0.00 C ATOM 2194 CD1 LEU A 141 5.196 13.376 -5.719 1.00 0.00 C ATOM 2195 CD2 LEU A 141 6.843 15.112 -4.889 1.00 0.00 C ATOM 0 H LEU A 141 3.995 16.908 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 141 5.952 17.747 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.992 15.460 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.665 15.569 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 141 4.750 15.120 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.499 12.761 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 141 4.143 13.199 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.797 13.115 -6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 141 7.071 14.439 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.542 14.933 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.936 16.144 -4.552 1.00 0.00 H new ATOM 2207 N GLN A 142 2.840 18.040 -7.461 1.00 0.00 N ATOM 2208 CA GLN A 142 1.983 18.756 -8.453 1.00 0.00 C ATOM 2209 C GLN A 142 2.349 20.251 -8.725 1.00 0.00 C ATOM 2210 O GLN A 142 2.285 20.697 -9.874 1.00 0.00 O ATOM 2211 CB GLN A 142 0.497 18.652 -8.005 1.00 0.00 C ATOM 2212 CG GLN A 142 -0.090 17.232 -7.819 1.00 0.00 C ATOM 2213 CD GLN A 142 -0.359 16.479 -9.132 1.00 0.00 C ATOM 2214 OE1 GLN A 142 -1.446 16.555 -9.704 1.00 0.00 O ATOM 2215 NE2 GLN A 142 0.619 15.746 -9.635 1.00 0.00 N ATOM 0 H GLN A 142 2.309 17.629 -6.693 1.00 0.00 H new ATOM 0 HA GLN A 142 2.163 18.255 -9.404 1.00 0.00 H new ATOM 0 HB2 GLN A 142 0.391 19.187 -7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -0.114 19.176 -8.739 1.00 0.00 H new ATOM 0 HG2 GLN A 142 0.598 16.644 -7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -1.023 17.308 -7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 142 1.516 15.691 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 142 0.477 15.235 -10.507 1.00 0.00 H new ATOM 2224 N GLN A 143 2.747 20.992 -7.672 1.00 0.00 N ATOM 2225 CA GLN A 143 3.364 22.337 -7.790 1.00 0.00 C ATOM 2226 C GLN A 143 4.902 22.319 -8.049 1.00 0.00 C ATOM 2227 O GLN A 143 5.382 23.228 -8.735 1.00 0.00 O ATOM 2228 CB GLN A 143 2.986 23.219 -6.564 1.00 0.00 C ATOM 2229 CG GLN A 143 3.297 22.660 -5.154 1.00 0.00 C ATOM 2230 CD GLN A 143 2.965 23.631 -4.013 1.00 0.00 C ATOM 2231 OE1 GLN A 143 1.819 23.742 -3.579 1.00 0.00 O ATOM 2232 NE2 GLN A 143 3.957 24.343 -3.498 1.00 0.00 N ATOM 0 H GLN A 143 2.651 20.676 -6.707 1.00 0.00 H new ATOM 0 HA GLN A 143 2.944 22.787 -8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.500 24.175 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.917 23.425 -6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.735 21.737 -5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 143 4.355 22.401 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.903 24.242 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.775 24.992 -2.733 1.00 0.00 H new ATOM 2241 N ASN A 144 5.677 21.350 -7.504 1.00 0.00 N ATOM 2242 CA ASN A 144 7.158 21.346 -7.620 1.00 0.00 C ATOM 2243 C ASN A 144 7.670 19.874 -7.519 1.00 0.00 C ATOM 2244 O ASN A 144 7.899 19.408 -6.401 1.00 0.00 O ATOM 2245 CB ASN A 144 7.884 22.352 -6.673 1.00 0.00 C ATOM 2246 CG ASN A 144 7.398 22.507 -5.215 1.00 0.00 C ATOM 2247 OD1 ASN A 144 6.713 23.470 -4.878 1.00 0.00 O ATOM 2248 ND2 ASN A 144 7.716 21.575 -4.335 1.00 0.00 N ATOM 0 H ASN A 144 5.302 20.560 -6.979 1.00 0.00 H new ATOM 0 HA ASN A 144 7.426 21.733 -8.603 1.00 0.00 H new ATOM 0 HB2 ASN A 144 8.936 22.068 -6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 144 7.834 23.335 -7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 144 7.393 21.653 -3.371 1.00 0.00 H new ATOM 0 HD22 ASN A 144 8.285 20.778 -4.620 1.00 0.00 H new ATOM 2255 N PRO A 145 7.869 19.100 -8.629 1.00 0.00 N ATOM 2256 CA PRO A 145 8.290 17.672 -8.559 1.00 0.00 C ATOM 2257 C PRO A 145 9.794 17.492 -8.204 1.00 0.00 C ATOM 2258 O PRO A 145 10.653 18.253 -8.667 1.00 0.00 O ATOM 2259 CB PRO A 145 7.887 17.144 -9.949 1.00 0.00 C ATOM 2260 CG PRO A 145 7.911 18.356 -10.883 1.00 0.00 C ATOM 2261 CD PRO A 145 7.512 19.533 -9.993 1.00 0.00 C ATOM 0 HA PRO A 145 7.817 17.113 -7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 145 8.580 16.375 -10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 145 6.896 16.691 -9.922 1.00 0.00 H new ATOM 0 HG2 PRO A 145 8.900 18.504 -11.316 1.00 0.00 H new ATOM 0 HG3 PRO A 145 7.215 18.232 -11.712 1.00 0.00 H new ATOM 0 HD2 PRO A 145 8.045 20.442 -10.274 1.00 0.00 H new ATOM 0 HD3 PRO A 145 6.447 19.750 -10.075 1.00 0.00 H new ATOM 2269 N GLN A 146 10.088 16.490 -7.352 1.00 0.00 N ATOM 2270 CA GLN A 146 11.444 16.272 -6.777 1.00 0.00 C ATOM 2271 C GLN A 146 11.742 14.740 -6.613 1.00 0.00 C ATOM 2272 O GLN A 146 10.807 13.993 -6.306 1.00 0.00 O ATOM 2273 CB GLN A 146 11.604 17.069 -5.451 1.00 0.00 C ATOM 2274 CG GLN A 146 10.685 16.657 -4.268 1.00 0.00 C ATOM 2275 CD GLN A 146 10.083 17.849 -3.510 1.00 0.00 C ATOM 2276 OE1 GLN A 146 10.729 18.465 -2.665 1.00 0.00 O ATOM 2277 NE2 GLN A 146 8.832 18.186 -3.776 1.00 0.00 N ATOM 0 H GLN A 146 9.398 15.807 -7.039 1.00 0.00 H new ATOM 0 HA GLN A 146 12.193 16.657 -7.469 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.640 16.978 -5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.429 18.123 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 146 9.876 16.033 -4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 146 11.258 16.046 -3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 146 8.303 17.669 -4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 146 8.396 18.962 -3.278 1.00 0.00 H new ATOM 2286 N PRO A 147 12.993 14.213 -6.797 1.00 0.00 N ATOM 2287 CA PRO A 147 13.276 12.751 -6.740 1.00 0.00 C ATOM 2288 C PRO A 147 13.229 12.192 -5.282 1.00 0.00 C ATOM 2289 O PRO A 147 13.956 12.656 -4.400 1.00 0.00 O ATOM 2290 CB PRO A 147 14.676 12.671 -7.378 1.00 0.00 C ATOM 2291 CG PRO A 147 15.336 14.024 -7.112 1.00 0.00 C ATOM 2292 CD PRO A 147 14.175 15.016 -7.176 1.00 0.00 C ATOM 0 HA PRO A 147 12.537 12.138 -7.256 1.00 0.00 H new ATOM 0 HB2 PRO A 147 15.258 11.860 -6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 147 14.607 12.474 -8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 147 15.827 14.045 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 147 16.098 14.251 -7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 147 14.326 15.851 -6.492 1.00 0.00 H new ATOM 0 HD3 PRO A 147 14.066 15.438 -8.175 1.00 0.00 H new ATOM 2300 N LEU A 148 12.329 11.227 -5.050 1.00 0.00 N ATOM 2301 CA LEU A 148 11.949 10.782 -3.674 1.00 0.00 C ATOM 2302 C LEU A 148 12.681 9.480 -3.246 1.00 0.00 C ATOM 2303 O LEU A 148 13.136 8.702 -4.085 1.00 0.00 O ATOM 2304 CB LEU A 148 10.415 10.532 -3.605 1.00 0.00 C ATOM 2305 CG LEU A 148 9.479 11.719 -3.940 1.00 0.00 C ATOM 2306 CD1 LEU A 148 8.084 11.196 -4.320 1.00 0.00 C ATOM 2307 CD2 LEU A 148 9.439 12.752 -2.799 1.00 0.00 C ATOM 0 H LEU A 148 11.840 10.728 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 148 12.245 11.579 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.177 9.714 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 148 10.176 10.189 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 148 9.879 12.249 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 148 7.431 12.037 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 148 8.164 10.545 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 148 7.666 10.634 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 148 8.772 13.570 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 148 9.075 12.275 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 148 10.442 13.144 -2.628 1.00 0.00 H new ATOM 2319 N ILE A 149 12.698 9.229 -1.922 1.00 0.00 N ATOM 2320 CA ILE A 149 13.138 7.936 -1.324 1.00 0.00 C ATOM 2321 C ILE A 149 11.906 6.989 -1.292 1.00 0.00 C ATOM 2322 O ILE A 149 10.781 7.405 -1.016 1.00 0.00 O ATOM 2323 CB ILE A 149 13.835 8.152 0.069 1.00 0.00 C ATOM 2324 CG1 ILE A 149 15.157 8.979 -0.022 1.00 0.00 C ATOM 2325 CG2 ILE A 149 14.087 6.843 0.851 1.00 0.00 C ATOM 2326 CD1 ILE A 149 16.394 8.296 -0.628 1.00 0.00 C ATOM 0 H ILE A 149 12.407 9.916 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 149 13.911 7.462 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 149 13.107 8.737 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 149 14.951 9.876 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 149 15.416 9.307 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 149 14.570 7.074 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 149 13.137 6.343 1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 149 14.732 6.188 0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 149 17.233 8.992 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 149 16.650 7.417 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 149 16.178 7.994 -1.653 1.00 0.00 H new ATOM 2338 N PHE A 150 12.170 5.710 -1.585 1.00 0.00 N ATOM 2339 CA PHE A 150 11.175 4.621 -1.552 1.00 0.00 C ATOM 2340 C PHE A 150 11.851 3.483 -0.742 1.00 0.00 C ATOM 2341 O PHE A 150 12.673 2.727 -1.276 1.00 0.00 O ATOM 2342 CB PHE A 150 10.841 4.155 -3.000 1.00 0.00 C ATOM 2343 CG PHE A 150 10.070 5.124 -3.910 1.00 0.00 C ATOM 2344 CD1 PHE A 150 10.732 6.210 -4.494 1.00 0.00 C ATOM 2345 CD2 PHE A 150 8.708 4.940 -4.163 1.00 0.00 C ATOM 2346 CE1 PHE A 150 10.026 7.136 -5.249 1.00 0.00 C ATOM 2347 CE2 PHE A 150 8.005 5.870 -4.926 1.00 0.00 C ATOM 2348 CZ PHE A 150 8.659 6.967 -5.464 1.00 0.00 C ATOM 0 H PHE A 150 13.100 5.392 -1.858 1.00 0.00 H new ATOM 0 HA PHE A 150 10.233 4.931 -1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 150 11.779 3.907 -3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 150 10.264 3.233 -2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 150 11.797 6.328 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 150 8.199 4.074 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 150 10.537 7.989 -5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 150 6.947 5.736 -5.099 1.00 0.00 H new ATOM 0 HZ PHE A 150 8.110 7.690 -6.049 1.00 0.00 H new ATOM 2358 N HIS A 151 11.490 3.362 0.551 1.00 0.00 N ATOM 2359 CA HIS A 151 11.923 2.227 1.401 1.00 0.00 C ATOM 2360 C HIS A 151 10.889 1.084 1.225 1.00 0.00 C ATOM 2361 O HIS A 151 9.881 1.020 1.934 1.00 0.00 O ATOM 2362 CB HIS A 151 12.135 2.688 2.869 1.00 0.00 C ATOM 2363 CG HIS A 151 12.672 1.668 3.898 1.00 0.00 C ATOM 2364 ND1 HIS A 151 13.477 2.019 4.967 1.00 0.00 N ATOM 2365 CD2 HIS A 151 12.374 0.290 3.983 1.00 0.00 C ATOM 2366 CE1 HIS A 151 13.635 0.799 5.569 1.00 0.00 C ATOM 2367 NE2 HIS A 151 13.005 -0.308 5.062 1.00 0.00 N ATOM 0 H HIS A 151 10.898 4.037 1.034 1.00 0.00 H new ATOM 0 HA HIS A 151 12.896 1.842 1.095 1.00 0.00 H new ATOM 0 HB2 HIS A 151 12.822 3.534 2.854 1.00 0.00 H new ATOM 0 HB3 HIS A 151 11.180 3.059 3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 151 11.732 -0.234 3.291 1.00 0.00 H new ATOM 0 HE1 HIS A 151 14.258 0.709 6.446 1.00 0.00 H new ATOM 0 HE2 HIS A 151 13.002 -1.277 5.382 1.00 0.00 H new ATOM 2375 N MET A 152 11.211 0.149 0.322 1.00 0.00 N ATOM 2376 CA MET A 152 10.439 -1.100 0.130 1.00 0.00 C ATOM 2377 C MET A 152 10.980 -2.234 1.047 1.00 0.00 C ATOM 2378 O MET A 152 12.190 -2.351 1.270 1.00 0.00 O ATOM 2379 CB MET A 152 10.439 -1.549 -1.352 1.00 0.00 C ATOM 2380 CG MET A 152 9.828 -0.560 -2.357 1.00 0.00 C ATOM 2381 SD MET A 152 8.178 -0.065 -1.839 1.00 0.00 S ATOM 2382 CE MET A 152 7.710 0.977 -3.229 1.00 0.00 C ATOM 0 H MET A 152 12.015 0.231 -0.301 1.00 0.00 H new ATOM 0 HA MET A 152 9.407 -0.892 0.412 1.00 0.00 H new ATOM 0 HB2 MET A 152 11.468 -1.749 -1.650 1.00 0.00 H new ATOM 0 HB3 MET A 152 9.897 -2.492 -1.425 1.00 0.00 H new ATOM 0 HG2 MET A 152 10.466 0.319 -2.444 1.00 0.00 H new ATOM 0 HG3 MET A 152 9.782 -1.019 -3.345 1.00 0.00 H new ATOM 0 HE1 MET A 152 6.706 1.369 -3.068 1.00 0.00 H new ATOM 0 HE2 MET A 152 8.413 1.805 -3.316 1.00 0.00 H new ATOM 0 HE3 MET A 152 7.727 0.389 -4.147 1.00 0.00 H new ATOM 2392 N GLU A 153 10.067 -3.075 1.562 1.00 0.00 N ATOM 2393 CA GLU A 153 10.411 -4.196 2.463 1.00 0.00 C ATOM 2394 C GLU A 153 9.626 -5.420 1.923 1.00 0.00 C ATOM 2395 O GLU A 153 8.423 -5.523 2.163 1.00 0.00 O ATOM 2396 CB GLU A 153 10.121 -3.751 3.936 1.00 0.00 C ATOM 2397 CG GLU A 153 9.602 -4.841 4.894 1.00 0.00 C ATOM 2398 CD GLU A 153 9.820 -4.528 6.373 1.00 0.00 C ATOM 2399 OE1 GLU A 153 10.888 -4.892 6.916 1.00 0.00 O ATOM 2400 OE2 GLU A 153 8.927 -3.916 6.999 1.00 0.00 O ATOM 0 H GLU A 153 9.069 -2.999 1.367 1.00 0.00 H new ATOM 0 HA GLU A 153 11.462 -4.484 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 153 11.039 -3.338 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 153 9.390 -2.943 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 153 8.536 -4.987 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 153 10.096 -5.783 4.657 1.00 0.00 H new ATOM 2407 N MET A 154 10.298 -6.360 1.231 1.00 0.00 N ATOM 2408 CA MET A 154 9.625 -7.558 0.674 1.00 0.00 C ATOM 2409 C MET A 154 9.374 -8.680 1.713 1.00 0.00 C ATOM 2410 O MET A 154 10.204 -8.979 2.576 1.00 0.00 O ATOM 2411 CB MET A 154 10.365 -8.036 -0.591 1.00 0.00 C ATOM 2412 CG MET A 154 9.548 -9.015 -1.459 1.00 0.00 C ATOM 2413 SD MET A 154 10.148 -9.003 -3.155 1.00 0.00 S ATOM 2414 CE MET A 154 9.582 -7.376 -3.688 1.00 0.00 C ATOM 0 H MET A 154 11.300 -6.317 1.043 1.00 0.00 H new ATOM 0 HA MET A 154 8.618 -7.263 0.380 1.00 0.00 H new ATOM 0 HB2 MET A 154 10.633 -7.168 -1.193 1.00 0.00 H new ATOM 0 HB3 MET A 154 11.297 -8.518 -0.295 1.00 0.00 H new ATOM 0 HG2 MET A 154 9.620 -10.022 -1.048 1.00 0.00 H new ATOM 0 HG3 MET A 154 8.494 -8.737 -1.438 1.00 0.00 H new ATOM 0 HE1 MET A 154 9.051 -7.468 -4.635 1.00 0.00 H new ATOM 0 HE2 MET A 154 8.913 -6.959 -2.935 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.440 -6.716 -3.816 1.00 0.00 H new ATOM 2424 N LEU A 155 8.183 -9.278 1.562 1.00 0.00 N ATOM 2425 CA LEU A 155 7.687 -10.403 2.392 1.00 0.00 C ATOM 2426 C LEU A 155 7.356 -11.648 1.511 1.00 0.00 C ATOM 2427 O LEU A 155 7.884 -12.729 1.791 1.00 0.00 O ATOM 2428 CB LEU A 155 6.544 -9.989 3.378 1.00 0.00 C ATOM 2429 CG LEU A 155 5.580 -8.823 2.985 1.00 0.00 C ATOM 2430 CD1 LEU A 155 4.131 -9.077 3.413 1.00 0.00 C ATOM 2431 CD2 LEU A 155 6.063 -7.475 3.552 1.00 0.00 C ATOM 0 H LEU A 155 7.517 -8.991 0.845 1.00 0.00 H new ATOM 0 HA LEU A 155 8.500 -10.704 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 155 5.932 -10.873 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 155 7.010 -9.723 4.327 1.00 0.00 H new ATOM 0 HG LEU A 155 5.599 -8.779 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 155 3.510 -8.233 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 155 3.764 -9.986 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 155 4.087 -9.193 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 155 5.369 -6.687 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 155 6.108 -7.533 4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 155 7.054 -7.249 3.159 1.00 0.00 H new ATOM 2443 N LYS A 156 6.491 -11.517 0.483 1.00 0.00 N ATOM 2444 CA LYS A 156 6.071 -12.641 -0.397 1.00 0.00 C ATOM 2445 C LYS A 156 5.933 -12.133 -1.856 1.00 0.00 C ATOM 2446 O LYS A 156 5.583 -10.982 -2.122 1.00 0.00 O ATOM 2447 CB LYS A 156 4.765 -13.272 0.175 1.00 0.00 C ATOM 2448 CG LYS A 156 4.121 -14.470 -0.576 1.00 0.00 C ATOM 2449 CD LYS A 156 2.723 -14.217 -1.186 1.00 0.00 C ATOM 2450 CE LYS A 156 2.680 -13.177 -2.322 1.00 0.00 C ATOM 2451 NZ LYS A 156 1.329 -13.016 -2.884 1.00 0.00 N ATOM 0 H LYS A 156 6.059 -10.627 0.235 1.00 0.00 H new ATOM 0 HA LYS A 156 6.822 -13.431 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 156 4.974 -13.596 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 156 4.017 -12.482 0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 156 4.795 -14.775 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 156 4.047 -15.309 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 156 2.334 -15.162 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 156 2.051 -13.891 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 156 3.031 -12.216 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 156 3.366 -13.479 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 1.345 -12.282 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 1.016 -13.917 -3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 0.670 -12.735 -2.130 1.00 0.00 H new ATOM 2465 N VAL A 157 6.195 -13.039 -2.807 1.00 0.00 N ATOM 2466 CA VAL A 157 6.054 -12.773 -4.263 1.00 0.00 C ATOM 2467 C VAL A 157 5.750 -14.129 -4.982 1.00 0.00 C ATOM 2468 O VAL A 157 6.410 -15.148 -4.747 1.00 0.00 O ATOM 2469 CB VAL A 157 7.226 -11.916 -4.858 1.00 0.00 C ATOM 2470 CG1 VAL A 157 8.648 -12.331 -4.441 1.00 0.00 C ATOM 2471 CG2 VAL A 157 7.138 -11.781 -6.389 1.00 0.00 C ATOM 0 H VAL A 157 6.513 -13.985 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 157 5.203 -12.117 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 157 7.065 -10.941 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 157 9.374 -11.668 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 157 8.744 -12.262 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.835 -13.357 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.972 -11.179 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.181 -12.770 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.199 -11.298 -6.658 1.00 0.00 H new ATOM 2481 N GLU A 158 4.745 -14.091 -5.881 1.00 0.00 N ATOM 2482 CA GLU A 158 4.300 -15.264 -6.686 1.00 0.00 C ATOM 2483 C GLU A 158 4.383 -14.901 -8.197 1.00 0.00 C ATOM 2484 O GLU A 158 3.948 -13.831 -8.622 1.00 0.00 O ATOM 2485 CB GLU A 158 2.848 -15.666 -6.318 1.00 0.00 C ATOM 2486 CG GLU A 158 2.687 -16.385 -4.964 1.00 0.00 C ATOM 2487 CD GLU A 158 1.237 -16.800 -4.702 1.00 0.00 C ATOM 2488 OE1 GLU A 158 0.473 -16.000 -4.118 1.00 0.00 O ATOM 2489 OE2 GLU A 158 0.853 -17.927 -5.088 1.00 0.00 O ATOM 0 H GLU A 158 4.211 -13.244 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 158 4.951 -16.111 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 158 2.231 -14.768 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 158 2.458 -16.313 -7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 158 3.326 -17.268 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 158 3.026 -15.729 -4.163 1.00 0.00 H new ATOM 2496 N SER A 159 4.925 -15.822 -9.006 1.00 0.00 N ATOM 2497 CA SER A 159 5.201 -15.595 -10.455 1.00 0.00 C ATOM 2498 C SER A 159 4.018 -16.020 -11.402 1.00 0.00 C ATOM 2499 O SER A 159 3.107 -16.709 -10.927 1.00 0.00 O ATOM 2500 CB SER A 159 6.503 -16.386 -10.755 1.00 0.00 C ATOM 2501 OG SER A 159 7.627 -15.793 -10.109 1.00 0.00 O ATOM 0 H SER A 159 5.190 -16.753 -8.685 1.00 0.00 H new ATOM 0 HA SER A 159 5.313 -14.530 -10.656 1.00 0.00 H new ATOM 0 HB2 SER A 159 6.390 -17.417 -10.421 1.00 0.00 H new ATOM 0 HB3 SER A 159 6.673 -16.417 -11.831 1.00 0.00 H new ATOM 0 HG SER A 159 8.437 -15.977 -10.629 1.00 0.00 H new ATOM 2507 N PRO A 160 3.973 -15.671 -12.734 1.00 0.00 N ATOM 2508 CA PRO A 160 2.860 -16.053 -13.649 1.00 0.00 C ATOM 2509 C PRO A 160 2.800 -17.580 -13.936 1.00 0.00 C ATOM 2510 O PRO A 160 3.673 -18.136 -14.611 1.00 0.00 O ATOM 2511 CB PRO A 160 3.101 -15.191 -14.906 1.00 0.00 C ATOM 2512 CG PRO A 160 4.575 -14.791 -14.865 1.00 0.00 C ATOM 2513 CD PRO A 160 4.916 -14.736 -13.377 1.00 0.00 C ATOM 0 HA PRO A 160 1.880 -15.863 -13.212 1.00 0.00 H new ATOM 0 HB2 PRO A 160 2.874 -15.751 -15.813 1.00 0.00 H new ATOM 0 HB3 PRO A 160 2.458 -14.311 -14.905 1.00 0.00 H new ATOM 0 HG2 PRO A 160 5.198 -15.517 -15.388 1.00 0.00 H new ATOM 0 HG3 PRO A 160 4.738 -13.826 -15.345 1.00 0.00 H new ATOM 0 HD2 PRO A 160 5.950 -15.032 -13.198 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.801 -13.726 -12.983 1.00 0.00 H new ATOM 2521 N GLY A 161 1.781 -18.236 -13.358 1.00 0.00 N ATOM 2522 CA GLY A 161 1.768 -19.707 -13.209 1.00 0.00 C ATOM 2523 C GLY A 161 1.188 -20.146 -11.852 1.00 0.00 C ATOM 2524 O GLY A 161 0.222 -20.913 -11.811 1.00 0.00 O ATOM 0 H GLY A 161 0.952 -17.773 -12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.180 -20.147 -14.014 1.00 0.00 H new ATOM 0 HA3 GLY A 161 2.783 -20.090 -13.310 1.00 0.00 H new ATOM 2528 N THR A 162 1.810 -19.672 -10.757 1.00 0.00 N ATOM 2529 CA THR A 162 1.404 -19.994 -9.365 1.00 0.00 C ATOM 2530 C THR A 162 0.403 -18.995 -8.705 1.00 0.00 C ATOM 2531 O THR A 162 -0.360 -19.428 -7.836 1.00 0.00 O ATOM 2532 CB THR A 162 2.679 -20.275 -8.512 1.00 0.00 C ATOM 2533 OG1 THR A 162 2.309 -20.776 -7.231 1.00 0.00 O ATOM 2534 CG2 THR A 162 3.658 -19.102 -8.310 1.00 0.00 C ATOM 0 H THR A 162 2.616 -19.049 -10.807 1.00 0.00 H new ATOM 0 HA THR A 162 0.801 -20.901 -9.409 1.00 0.00 H new ATOM 0 HB THR A 162 3.226 -21.004 -9.110 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.116 -20.951 -6.703 1.00 0.00 H new ATOM 0 HG21 THR A 162 4.499 -19.431 -7.700 1.00 0.00 H new ATOM 0 HG22 THR A 162 4.023 -18.762 -9.279 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.145 -18.282 -7.808 1.00 0.00 H new ATOM 2542 N TYR A 163 0.394 -17.697 -9.080 1.00 0.00 N ATOM 2543 CA TYR A 163 -0.466 -16.676 -8.428 1.00 0.00 C ATOM 2544 C TYR A 163 -1.964 -16.817 -8.840 1.00 0.00 C ATOM 2545 O TYR A 163 -2.268 -16.903 -10.035 1.00 0.00 O ATOM 2546 CB TYR A 163 0.116 -15.243 -8.638 1.00 0.00 C ATOM 2547 CG TYR A 163 -0.332 -14.430 -9.868 1.00 0.00 C ATOM 2548 CD1 TYR A 163 0.091 -14.779 -11.152 1.00 0.00 C ATOM 2549 CD2 TYR A 163 -1.224 -13.366 -9.705 1.00 0.00 C ATOM 2550 CE1 TYR A 163 -0.368 -14.065 -12.258 1.00 0.00 C ATOM 2551 CE2 TYR A 163 -1.656 -12.632 -10.807 1.00 0.00 C ATOM 2552 CZ TYR A 163 -1.226 -12.981 -12.085 1.00 0.00 C ATOM 2553 OH TYR A 163 -1.639 -12.256 -13.172 1.00 0.00 O ATOM 0 H TYR A 163 0.974 -17.327 -9.833 1.00 0.00 H new ATOM 0 HA TYR A 163 -0.455 -16.856 -7.353 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.123 -14.657 -7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 163 1.202 -15.331 -8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 163 0.775 -15.604 -11.289 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -1.581 -13.111 -8.718 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -0.058 -14.353 -13.252 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -2.323 -11.794 -10.671 1.00 0.00 H new ATOM 0 HH TYR A 163 -2.235 -11.536 -12.878 1.00 0.00 H new