USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 32 SER OG : rot 171:sc= 0.313 USER MOD Set 1.2: A 34 THR OG1 : rot -25:sc= 0.16 USER MOD Set 1.3: A 35 THR OG1 : rot -140:sc= -0.592 USER MOD Single : A 6 SER OG : rot 157:sc= -0.651 USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= -0.0216 (180deg=-0.237) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 14 MET CE :methyl -173:sc= -1.73 (180deg=-1.78) USER MOD Single : A 16 SER OG : rot -52:sc= 0.447 USER MOD Single : A 20 CYS SG : rot 86:sc= -0.137 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.0266 K(o=0.027,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0903 X(o=-0.09,f=0.084) USER MOD Single : A 36 ASN : amide:sc= -0.745 K(o=-0.75,f=-9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 149:sc= -0.259 (180deg=-1.02) USER MOD Single : A 54 SER OG : rot 85:sc= 0.748 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 78:sc= 0.271 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 78 CYS SG : rot -35:sc= -0.32 USER MOD Single : A 80 TYR OH : rot -109:sc= 0.252 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.234 -11.632 -2.871 1.00 10.42 N ATOM 67 CA SER A 6 -0.963 -12.490 -1.944 1.00 13.32 C ATOM 68 C SER A 6 -0.676 -12.096 -0.499 1.00 1.55 C ATOM 69 O SER A 6 0.413 -12.340 0.017 1.00 70.20 O ATOM 70 CB SER A 6 -0.587 -13.956 -2.170 1.00 31.11 C ATOM 71 OG SER A 6 -1.419 -14.818 -1.414 1.00 12.30 O ATOM 0 HA SER A 6 -2.029 -12.363 -2.132 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.674 -14.198 -3.229 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.455 -14.115 -1.892 1.00 31.11 H new ATOM 0 HG SER A 6 -1.428 -15.707 -1.825 1.00 12.30 H new ATOM 77 N GLU A 7 -1.664 -11.485 0.148 1.00 25.12 N ATOM 78 CA GLU A 7 -1.518 -11.056 1.535 1.00 23.40 C ATOM 79 C GLU A 7 -1.354 -12.257 2.462 1.00 11.43 C ATOM 80 O GLU A 7 -0.645 -12.187 3.465 1.00 4.20 O ATOM 81 CB GLU A 7 -2.730 -10.227 1.966 1.00 61.41 C ATOM 82 CG GLU A 7 -2.588 -9.616 3.350 1.00 52.15 C ATOM 83 CD GLU A 7 -3.827 -8.857 3.782 1.00 32.24 C ATOM 84 OE1 GLU A 7 -4.743 -9.491 4.349 1.00 13.40 O ATOM 85 OE2 GLU A 7 -3.882 -7.631 3.554 1.00 63.30 O ATOM 0 H GLU A 7 -2.573 -11.276 -0.265 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.622 -10.440 1.605 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -2.891 -9.429 1.241 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.618 -10.859 1.946 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -2.380 -10.406 4.072 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -1.732 -8.942 3.359 1.00 52.15 H new ATOM 92 N GLU A 8 -2.015 -13.359 2.117 1.00 62.33 N ATOM 93 CA GLU A 8 -1.942 -14.573 2.918 1.00 22.01 C ATOM 94 C GLU A 8 -0.503 -15.071 3.026 1.00 45.53 C ATOM 95 O GLU A 8 -0.011 -15.344 4.120 1.00 0.33 O ATOM 96 CB GLU A 8 -2.827 -15.665 2.311 1.00 5.22 C ATOM 97 CG GLU A 8 -2.646 -17.027 2.959 1.00 4.01 C ATOM 98 CD GLU A 8 -1.522 -17.828 2.333 1.00 65.32 C ATOM 99 OE1 GLU A 8 -1.641 -18.183 1.141 1.00 10.50 O ATOM 100 OE2 GLU A 8 -0.523 -18.100 3.032 1.00 20.33 O ATOM 0 H GLU A 8 -2.606 -13.434 1.289 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.302 -14.338 3.920 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.871 -15.366 2.400 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.609 -15.747 1.246 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -2.444 -16.895 4.022 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.576 -17.590 2.878 1.00 4.01 H new ATOM 107 N ILE A 9 0.163 -15.185 1.882 1.00 60.43 N ATOM 108 CA ILE A 9 1.545 -15.649 1.847 1.00 52.14 C ATOM 109 C ILE A 9 2.495 -14.582 2.379 1.00 13.42 C ATOM 110 O ILE A 9 3.525 -14.894 2.977 1.00 51.22 O ATOM 111 CB ILE A 9 1.972 -16.037 0.420 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.885 -16.879 -0.251 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.293 -16.793 0.449 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.263 -17.364 -1.633 1.00 72.45 C ATOM 0 H ILE A 9 -0.231 -14.963 0.968 1.00 60.43 H new ATOM 0 HA ILE A 9 1.599 -16.531 2.485 1.00 52.14 H new ATOM 0 HB ILE A 9 2.110 -15.126 -0.162 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.663 -17.740 0.379 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.029 -16.290 -0.319 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.582 -17.060 -0.568 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.064 -16.162 0.891 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.181 -17.699 1.045 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.446 -17.954 -2.048 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.457 -16.508 -2.279 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.160 -17.981 -1.570 1.00 72.45 H new ATOM 126 N LYS A 10 2.143 -13.320 2.157 1.00 24.45 N ATOM 127 CA LYS A 10 2.963 -12.204 2.616 1.00 53.51 C ATOM 128 C LYS A 10 3.295 -12.346 4.097 1.00 24.33 C ATOM 129 O LYS A 10 4.415 -12.065 4.522 1.00 33.51 O ATOM 130 CB LYS A 10 2.241 -10.879 2.368 1.00 74.03 C ATOM 131 CG LYS A 10 3.180 -9.716 2.098 1.00 54.41 C ATOM 132 CD LYS A 10 3.752 -9.150 3.387 1.00 65.13 C ATOM 133 CE LYS A 10 4.519 -7.861 3.139 1.00 45.24 C ATOM 134 NZ LYS A 10 3.617 -6.750 2.726 1.00 3.11 N ATOM 0 H LYS A 10 1.295 -13.044 1.662 1.00 24.45 H new ATOM 0 HA LYS A 10 3.895 -12.214 2.051 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.567 -10.995 1.519 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.624 -10.643 3.235 1.00 74.03 H new ATOM 0 HG2 LYS A 10 3.994 -10.046 1.452 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.645 -8.932 1.561 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.943 -8.963 4.094 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.413 -9.885 3.846 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.054 -7.577 4.045 1.00 45.24 H new ATOM 0 HE3 LYS A 10 5.268 -8.027 2.365 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 4.120 -5.844 2.812 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 3.323 -6.890 1.738 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 2.777 -6.739 3.339 1.00 3.11 H new ATOM 148 N ALA A 11 2.313 -12.785 4.879 1.00 50.21 N ATOM 149 CA ALA A 11 2.503 -12.967 6.313 1.00 34.33 C ATOM 150 C ALA A 11 3.430 -14.143 6.599 1.00 4.45 C ATOM 151 O ALA A 11 4.163 -14.140 7.587 1.00 53.20 O ATOM 152 CB ALA A 11 1.161 -13.171 7.000 1.00 43.42 C ATOM 0 H ALA A 11 1.379 -13.021 4.544 1.00 50.21 H new ATOM 0 HA ALA A 11 2.970 -12.066 6.711 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.317 -13.306 8.070 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.530 -12.298 6.832 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.673 -14.055 6.590 1.00 43.42 H new ATOM 158 N GLN A 12 3.390 -15.148 5.729 1.00 24.33 N ATOM 159 CA GLN A 12 4.226 -16.331 5.891 1.00 2.14 C ATOM 160 C GLN A 12 5.672 -16.032 5.513 1.00 42.14 C ATOM 161 O GLN A 12 6.602 -16.406 6.227 1.00 75.20 O ATOM 162 CB GLN A 12 3.691 -17.480 5.036 1.00 54.01 C ATOM 163 CG GLN A 12 2.507 -18.204 5.660 1.00 32.44 C ATOM 164 CD GLN A 12 2.917 -19.462 6.400 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.892 -20.560 5.843 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.297 -19.308 7.663 1.00 62.23 N ATOM 0 H GLN A 12 2.788 -15.166 4.906 1.00 24.33 H new ATOM 0 HA GLN A 12 4.197 -16.624 6.941 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.395 -17.090 4.062 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.494 -18.197 4.862 1.00 54.01 H new ATOM 0 HG2 GLN A 12 1.997 -17.531 6.349 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.792 -18.463 4.879 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.302 -18.379 8.084 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.584 -20.119 8.212 1.00 62.23 H new ATOM 175 N VAL A 13 5.856 -15.355 4.384 1.00 55.30 N ATOM 176 CA VAL A 13 7.190 -15.003 3.910 1.00 61.15 C ATOM 177 C VAL A 13 7.870 -14.026 4.862 1.00 35.34 C ATOM 178 O VAL A 13 9.055 -14.163 5.164 1.00 43.12 O ATOM 179 CB VAL A 13 7.140 -14.382 2.502 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.684 -15.412 1.480 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.227 -13.165 2.489 1.00 71.30 C ATOM 0 H VAL A 13 5.097 -15.039 3.780 1.00 55.30 H new ATOM 0 HA VAL A 13 7.766 -15.927 3.870 1.00 61.15 H new ATOM 0 HB VAL A 13 8.145 -14.057 2.231 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.655 -14.955 0.491 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.381 -16.250 1.472 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.689 -15.770 1.744 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.203 -12.739 1.486 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.220 -13.463 2.781 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.603 -12.421 3.191 1.00 71.30 H new ATOM 191 N MET A 14 7.113 -13.040 5.330 1.00 13.51 N ATOM 192 CA MET A 14 7.643 -12.039 6.249 1.00 42.15 C ATOM 193 C MET A 14 7.910 -12.649 7.622 1.00 13.12 C ATOM 194 O MET A 14 8.890 -12.306 8.282 1.00 73.12 O ATOM 195 CB MET A 14 6.668 -10.868 6.380 1.00 42.43 C ATOM 196 CG MET A 14 5.377 -11.229 7.098 1.00 3.14 C ATOM 197 SD MET A 14 5.439 -10.865 8.862 1.00 42.00 S ATOM 198 CE MET A 14 3.894 -11.587 9.411 1.00 52.44 C ATOM 0 H MET A 14 6.130 -12.912 5.088 1.00 13.51 H new ATOM 0 HA MET A 14 8.586 -11.673 5.843 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.158 -10.056 6.917 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.428 -10.493 5.385 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.549 -10.681 6.647 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.172 -12.290 6.957 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.727 -11.336 10.458 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.075 -11.195 8.809 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.939 -12.670 9.301 1.00 52.44 H new ATOM 208 N GLU A 15 7.033 -13.555 8.043 1.00 31.13 N ATOM 209 CA GLU A 15 7.175 -14.210 9.338 1.00 3.51 C ATOM 210 C GLU A 15 8.374 -15.154 9.341 1.00 40.41 C ATOM 211 O GLU A 15 9.057 -15.304 10.354 1.00 50.11 O ATOM 212 CB GLU A 15 5.902 -14.986 9.685 1.00 51.42 C ATOM 213 CG GLU A 15 5.960 -15.679 11.035 1.00 64.33 C ATOM 214 CD GLU A 15 5.644 -14.743 12.186 1.00 14.11 C ATOM 215 OE1 GLU A 15 5.859 -13.522 12.033 1.00 12.44 O ATOM 216 OE2 GLU A 15 5.181 -15.231 13.238 1.00 72.54 O ATOM 0 H GLU A 15 6.218 -13.852 7.507 1.00 31.13 H new ATOM 0 HA GLU A 15 7.338 -13.438 10.090 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.055 -14.300 9.674 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.719 -15.731 8.911 1.00 51.42 H new ATOM 0 HG2 GLU A 15 5.254 -16.510 11.043 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.954 -16.103 11.179 1.00 64.33 H new ATOM 223 N SER A 16 8.625 -15.787 8.200 1.00 34.34 N ATOM 224 CA SER A 16 9.738 -16.720 8.071 1.00 4.21 C ATOM 225 C SER A 16 11.065 -15.971 7.980 1.00 25.30 C ATOM 226 O SER A 16 12.061 -16.373 8.584 1.00 71.45 O ATOM 227 CB SER A 16 9.553 -17.602 6.835 1.00 21.44 C ATOM 228 OG SER A 16 9.949 -16.920 5.658 1.00 73.30 O ATOM 0 H SER A 16 8.072 -15.671 7.351 1.00 34.34 H new ATOM 0 HA SER A 16 9.755 -17.352 8.959 1.00 4.21 H new ATOM 0 HB2 SER A 16 10.139 -18.515 6.945 1.00 21.44 H new ATOM 0 HB3 SER A 16 8.508 -17.902 6.751 1.00 21.44 H new ATOM 0 HG SER A 16 9.499 -16.051 5.617 1.00 73.30 H new ATOM 234 N VAL A 17 11.072 -14.881 7.221 1.00 40.23 N ATOM 235 CA VAL A 17 12.274 -14.074 7.051 1.00 71.33 C ATOM 236 C VAL A 17 12.713 -13.455 8.374 1.00 73.43 C ATOM 237 O VAL A 17 13.866 -13.594 8.784 1.00 75.50 O ATOM 238 CB VAL A 17 12.057 -12.952 6.019 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.252 -12.010 5.994 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.801 -13.539 4.640 1.00 64.43 C ATOM 0 H VAL A 17 10.258 -14.536 6.713 1.00 40.23 H new ATOM 0 HA VAL A 17 13.055 -14.743 6.689 1.00 71.33 H new ATOM 0 HB VAL A 17 11.179 -12.377 6.313 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.080 -11.224 5.259 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.384 -11.563 6.979 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.149 -12.568 5.726 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.650 -12.732 3.923 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.658 -14.139 4.335 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.911 -14.168 4.672 1.00 64.43 H new ATOM 250 N ILE A 18 11.786 -12.774 9.038 1.00 20.20 N ATOM 251 CA ILE A 18 12.076 -12.135 10.315 1.00 4.21 C ATOM 252 C ILE A 18 12.791 -13.095 11.260 1.00 21.34 C ATOM 253 O ILE A 18 13.850 -12.779 11.799 1.00 62.42 O ATOM 254 CB ILE A 18 10.792 -11.625 10.995 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.160 -10.505 10.165 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.095 -11.139 12.405 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.674 -10.343 10.401 1.00 14.31 C ATOM 0 H ILE A 18 10.827 -12.650 8.713 1.00 20.20 H new ATOM 0 HA ILE A 18 12.726 -11.286 10.102 1.00 4.21 H new ATOM 0 HB ILE A 18 10.082 -12.449 11.061 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.661 -9.565 10.397 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.332 -10.706 9.108 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.177 -10.782 12.872 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.505 -11.960 12.993 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.820 -10.326 12.362 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.293 -9.532 9.780 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.161 -11.269 10.142 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.496 -10.111 11.451 1.00 14.31 H new ATOM 269 N GLY A 19 12.203 -14.272 11.455 1.00 20.44 N ATOM 270 CA GLY A 19 12.798 -15.263 12.333 1.00 33.42 C ATOM 271 C GLY A 19 14.005 -15.937 11.713 1.00 43.03 C ATOM 272 O GLY A 19 14.865 -16.459 12.423 1.00 24.14 O ATOM 0 H GLY A 19 11.325 -14.557 11.020 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.093 -14.786 13.268 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.052 -16.018 12.582 1.00 33.42 H new ATOM 276 N CYS A 20 14.070 -15.928 10.386 1.00 11.52 N ATOM 277 CA CYS A 20 15.179 -16.547 9.671 1.00 1.22 C ATOM 278 C CYS A 20 16.497 -15.857 10.011 1.00 65.11 C ATOM 279 O CYS A 20 17.479 -16.512 10.363 1.00 25.20 O ATOM 280 CB CYS A 20 14.935 -16.489 8.161 1.00 12.21 C ATOM 281 SG CYS A 20 14.392 -18.057 7.443 1.00 23.42 S ATOM 0 H CYS A 20 13.367 -15.499 9.784 1.00 11.52 H new ATOM 0 HA CYS A 20 15.244 -17.590 9.982 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.184 -15.727 7.954 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.854 -16.174 7.667 1.00 12.21 H new ATOM 0 HG CYS A 20 13.101 -18.162 7.557 1.00 23.42 H new ATOM 287 N LEU A 21 16.512 -14.534 9.901 1.00 53.41 N ATOM 288 CA LEU A 21 17.711 -13.755 10.196 1.00 51.22 C ATOM 289 C LEU A 21 17.576 -13.034 11.533 1.00 15.30 C ATOM 290 O LEU A 21 18.446 -12.255 11.921 1.00 53.22 O ATOM 291 CB LEU A 21 17.970 -12.741 9.080 1.00 25.12 C ATOM 292 CG LEU A 21 16.754 -12.332 8.249 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.946 -10.936 7.675 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.506 -13.339 7.136 1.00 52.43 C ATOM 0 H LEU A 21 15.708 -13.977 9.610 1.00 53.41 H new ATOM 0 HA LEU A 21 18.555 -14.441 10.258 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.400 -11.843 9.525 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.722 -13.155 8.408 1.00 25.12 H new ATOM 0 HG LEU A 21 15.880 -12.318 8.900 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.071 -10.661 7.086 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.075 -10.222 8.489 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.830 -10.923 7.038 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.637 -13.032 6.555 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.380 -13.385 6.486 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.324 -14.323 7.569 1.00 52.43 H new ATOM 306 N LYS A 22 16.480 -13.301 12.235 1.00 1.40 N ATOM 307 CA LYS A 22 16.232 -12.681 13.532 1.00 75.54 C ATOM 308 C LYS A 22 16.403 -11.167 13.453 1.00 52.33 C ATOM 309 O LYS A 22 17.492 -10.643 13.691 1.00 32.45 O ATOM 310 CB LYS A 22 17.179 -13.258 14.586 1.00 53.14 C ATOM 311 CG LYS A 22 16.768 -14.633 15.085 1.00 11.31 C ATOM 312 CD LYS A 22 15.765 -14.538 16.222 1.00 24.50 C ATOM 313 CE LYS A 22 16.460 -14.406 17.569 1.00 14.00 C ATOM 314 NZ LYS A 22 15.620 -14.932 18.680 1.00 54.14 N ATOM 0 H LYS A 22 15.749 -13.943 11.928 1.00 1.40 H new ATOM 0 HA LYS A 22 15.203 -12.898 13.820 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.183 -13.318 14.166 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.228 -12.573 15.432 1.00 53.14 H new ATOM 0 HG2 LYS A 22 16.335 -15.204 14.264 1.00 11.31 H new ATOM 0 HG3 LYS A 22 17.650 -15.177 15.422 1.00 11.31 H new ATOM 0 HD2 LYS A 22 15.113 -13.679 16.062 1.00 24.50 H new ATOM 0 HD3 LYS A 22 15.131 -15.424 16.224 1.00 24.50 H new ATOM 0 HE2 LYS A 22 17.407 -14.945 17.543 1.00 14.00 H new ATOM 0 HE3 LYS A 22 16.694 -13.358 17.756 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 16.128 -14.824 19.581 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 14.727 -14.401 18.721 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 15.417 -15.939 18.515 1.00 54.14 H new ATOM 328 N LEU A 23 15.323 -10.471 13.119 1.00 63.12 N ATOM 329 CA LEU A 23 15.355 -9.016 13.010 1.00 10.22 C ATOM 330 C LEU A 23 14.972 -8.363 14.334 1.00 71.20 C ATOM 331 O LEU A 23 14.272 -8.958 15.152 1.00 42.11 O ATOM 332 CB LEU A 23 14.405 -8.547 11.905 1.00 24.31 C ATOM 333 CG LEU A 23 14.914 -8.704 10.472 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.242 -7.985 10.295 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.053 -10.177 10.113 1.00 71.34 C ATOM 0 H LEU A 23 14.415 -10.889 12.919 1.00 63.12 H new ATOM 0 HA LEU A 23 16.373 -8.717 12.758 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.469 -9.098 12.000 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.174 -7.495 12.074 1.00 24.31 H new ATOM 0 HG LEU A 23 14.186 -8.252 9.798 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.588 -8.108 9.269 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.113 -6.924 10.510 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.978 -8.407 10.979 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.416 -10.269 9.090 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.760 -10.652 10.793 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.082 -10.666 10.199 1.00 71.34 H new ATOM 347 N ASN A 24 15.437 -7.134 14.538 1.00 45.20 N ATOM 348 CA ASN A 24 15.143 -6.399 15.762 1.00 65.04 C ATOM 349 C ASN A 24 14.038 -5.373 15.529 1.00 22.23 C ATOM 350 O ASN A 24 13.472 -5.292 14.439 1.00 61.52 O ATOM 351 CB ASN A 24 16.404 -5.700 16.277 1.00 25.14 C ATOM 352 CG ASN A 24 17.375 -6.666 16.925 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.166 -7.113 18.054 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.447 -6.994 16.214 1.00 12.31 N ATOM 0 H ASN A 24 16.019 -6.627 13.871 1.00 45.20 H new ATOM 0 HA ASN A 24 14.799 -7.112 16.511 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.899 -5.192 15.449 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.122 -4.933 16.999 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.136 -7.640 16.599 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.581 -6.600 15.283 1.00 12.31 H new ATOM 361 N ASP A 25 13.739 -4.590 16.559 1.00 44.23 N ATOM 362 CA ASP A 25 12.703 -3.567 16.467 1.00 34.40 C ATOM 363 C ASP A 25 13.012 -2.582 15.344 1.00 23.34 C ATOM 364 O ASP A 25 12.145 -2.265 14.529 1.00 45.40 O ATOM 365 CB ASP A 25 12.573 -2.821 17.796 1.00 1.51 C ATOM 366 CG ASP A 25 11.154 -2.363 18.066 1.00 64.32 C ATOM 367 OD1 ASP A 25 10.278 -3.230 18.259 1.00 20.14 O ATOM 368 OD2 ASP A 25 10.919 -1.136 18.082 1.00 24.33 O ATOM 0 H ASP A 25 14.199 -4.644 17.468 1.00 44.23 H new ATOM 0 HA ASP A 25 11.757 -4.061 16.243 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.903 -3.470 18.607 1.00 1.51 H new ATOM 0 HB3 ASP A 25 13.236 -1.956 17.790 1.00 1.51 H new ATOM 373 N GLU A 26 14.250 -2.101 15.308 1.00 23.44 N ATOM 374 CA GLU A 26 14.672 -1.150 14.287 1.00 51.55 C ATOM 375 C GLU A 26 14.467 -1.728 12.889 1.00 41.22 C ATOM 376 O GLU A 26 13.813 -1.118 12.044 1.00 64.53 O ATOM 377 CB GLU A 26 16.141 -0.772 14.483 1.00 23.33 C ATOM 378 CG GLU A 26 16.412 -0.047 15.792 1.00 11.13 C ATOM 379 CD GLU A 26 15.879 1.372 15.794 1.00 33.12 C ATOM 380 OE1 GLU A 26 14.708 1.564 16.184 1.00 10.11 O ATOM 381 OE2 GLU A 26 16.630 2.290 15.404 1.00 53.41 O ATOM 0 H GLU A 26 14.979 -2.355 15.975 1.00 23.44 H new ATOM 0 HA GLU A 26 14.059 -0.254 14.387 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.749 -1.676 14.445 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.459 -0.140 13.654 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.957 -0.603 16.612 1.00 11.13 H new ATOM 0 HG3 GLU A 26 17.486 -0.028 15.977 1.00 11.13 H new ATOM 388 N GLN A 27 15.032 -2.908 12.654 1.00 43.14 N ATOM 389 CA GLN A 27 14.913 -3.567 11.359 1.00 70.43 C ATOM 390 C GLN A 27 13.449 -3.734 10.966 1.00 74.33 C ATOM 391 O GLN A 27 13.073 -3.500 9.816 1.00 70.11 O ATOM 392 CB GLN A 27 15.603 -4.932 11.392 1.00 60.33 C ATOM 393 CG GLN A 27 17.029 -4.880 11.916 1.00 35.01 C ATOM 394 CD GLN A 27 17.819 -3.721 11.343 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.838 -2.627 11.908 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.479 -3.954 10.215 1.00 31.11 N ATOM 0 H GLN A 27 15.576 -3.427 13.343 1.00 43.14 H new ATOM 0 HA GLN A 27 15.401 -2.939 10.614 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.020 -5.610 12.016 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.609 -5.351 10.386 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.010 -4.800 13.003 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.535 -5.815 11.674 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.436 -4.876 9.780 1.00 31.11 H new ATOM 0 HE22 GLN A 27 19.029 -3.211 9.783 1.00 31.11 H new ATOM 405 N LYS A 28 12.625 -4.138 11.926 1.00 33.40 N ATOM 406 CA LYS A 28 11.201 -4.335 11.682 1.00 0.31 C ATOM 407 C LYS A 28 10.496 -3.000 11.469 1.00 73.13 C ATOM 408 O LYS A 28 9.433 -2.941 10.851 1.00 33.23 O ATOM 409 CB LYS A 28 10.560 -5.082 12.854 1.00 10.45 C ATOM 410 CG LYS A 28 11.140 -6.467 13.082 1.00 2.22 C ATOM 411 CD LYS A 28 10.953 -6.920 14.520 1.00 53.25 C ATOM 412 CE LYS A 28 9.529 -7.391 14.775 1.00 14.30 C ATOM 413 NZ LYS A 28 9.153 -7.267 16.211 1.00 1.02 N ATOM 0 H LYS A 28 12.919 -4.336 12.882 1.00 33.40 H new ATOM 0 HA LYS A 28 11.092 -4.932 10.776 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.684 -4.491 13.762 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.488 -5.171 12.675 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.660 -7.179 12.410 1.00 2.22 H new ATOM 0 HG3 LYS A 28 12.202 -6.463 12.836 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.650 -7.728 14.742 1.00 53.25 H new ATOM 0 HD3 LYS A 28 11.192 -6.099 15.195 1.00 53.25 H new ATOM 0 HE2 LYS A 28 8.839 -6.806 14.167 1.00 14.30 H new ATOM 0 HE3 LYS A 28 9.428 -8.430 14.462 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 8.176 -7.598 16.344 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.796 -7.845 16.789 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 9.224 -6.272 16.504 1.00 1.02 H new ATOM 427 N GLN A 29 11.096 -1.931 11.984 1.00 54.00 N ATOM 428 CA GLN A 29 10.523 -0.597 11.849 1.00 31.22 C ATOM 429 C GLN A 29 10.939 0.043 10.528 1.00 50.15 C ATOM 430 O GLN A 29 10.216 0.871 9.974 1.00 72.44 O ATOM 431 CB GLN A 29 10.960 0.290 13.017 1.00 30.00 C ATOM 432 CG GLN A 29 10.076 0.154 14.246 1.00 61.43 C ATOM 433 CD GLN A 29 10.018 1.428 15.066 1.00 52.42 C ATOM 434 OE1 GLN A 29 10.404 1.446 16.235 1.00 3.31 O ATOM 435 NE2 GLN A 29 9.534 2.504 14.456 1.00 52.22 N ATOM 0 H GLN A 29 11.977 -1.963 12.497 1.00 54.00 H new ATOM 0 HA GLN A 29 9.437 -0.693 11.860 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.986 0.041 13.288 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.960 1.331 12.692 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.068 -0.120 13.935 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.449 -0.658 14.869 1.00 61.43 H new ATOM 0 HE21 GLN A 29 9.225 2.445 13.486 1.00 52.22 H new ATOM 0 HE22 GLN A 29 9.471 3.390 14.958 1.00 52.22 H new ATOM 444 N ILE A 30 12.106 -0.347 10.029 1.00 2.02 N ATOM 445 CA ILE A 30 12.617 0.187 8.772 1.00 13.22 C ATOM 446 C ILE A 30 12.458 -0.821 7.641 1.00 11.13 C ATOM 447 O ILE A 30 13.174 -0.767 6.640 1.00 22.43 O ATOM 448 CB ILE A 30 14.102 0.580 8.889 1.00 43.52 C ATOM 449 CG1 ILE A 30 14.953 -0.647 9.220 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.283 1.657 9.949 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.692 -1.209 8.026 1.00 63.02 C ATOM 0 H ILE A 30 12.716 -1.031 10.476 1.00 2.02 H new ATOM 0 HA ILE A 30 12.030 1.078 8.547 1.00 13.22 H new ATOM 0 HB ILE A 30 14.432 0.980 7.931 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.675 -0.381 9.992 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.311 -1.422 9.638 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.337 1.924 10.020 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.703 2.538 9.675 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.938 1.281 10.912 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.275 -2.077 8.334 1.00 63.02 H new ATOM 0 HD12 ILE A 30 14.975 -1.507 7.261 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.360 -0.449 7.621 1.00 63.02 H new ATOM 463 N LEU A 31 11.514 -1.741 7.804 1.00 64.14 N ATOM 464 CA LEU A 31 11.257 -2.763 6.795 1.00 21.12 C ATOM 465 C LEU A 31 10.214 -2.286 5.790 1.00 14.43 C ATOM 466 O LEU A 31 9.434 -1.377 6.073 1.00 1.54 O ATOM 467 CB LEU A 31 10.788 -4.058 7.459 1.00 41.11 C ATOM 468 CG LEU A 31 10.838 -5.316 6.591 1.00 20.21 C ATOM 469 CD1 LEU A 31 12.275 -5.646 6.214 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.191 -6.489 7.311 1.00 12.21 C ATOM 0 H LEU A 31 10.913 -1.800 8.626 1.00 64.14 H new ATOM 0 HA LEU A 31 12.188 -2.953 6.261 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.398 -4.229 8.346 1.00 41.11 H new ATOM 0 HB3 LEU A 31 9.762 -3.917 7.800 1.00 41.11 H new ATOM 0 HG LEU A 31 10.277 -5.125 5.676 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.292 -6.544 5.596 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.705 -4.814 5.657 1.00 40.33 H new ATOM 0 HD13 LEU A 31 12.858 -5.817 7.119 1.00 40.33 H new ATOM 0 HD21 LEU A 31 10.236 -7.375 6.677 1.00 12.21 H new ATOM 0 HD22 LEU A 31 10.722 -6.682 8.243 1.00 12.21 H new ATOM 0 HD23 LEU A 31 9.150 -6.252 7.530 1.00 12.21 H new ATOM 482 N SER A 32 10.203 -2.909 4.615 1.00 11.55 N ATOM 483 CA SER A 32 9.256 -2.547 3.567 1.00 52.24 C ATOM 484 C SER A 32 9.321 -3.541 2.410 1.00 35.45 C ATOM 485 O SER A 32 10.385 -4.067 2.088 1.00 30.51 O ATOM 486 CB SER A 32 9.543 -1.134 3.057 1.00 52.12 C ATOM 487 OG SER A 32 9.276 -1.028 1.669 1.00 54.11 O ATOM 0 H SER A 32 10.839 -3.666 4.366 1.00 11.55 H new ATOM 0 HA SER A 32 8.253 -2.575 3.992 1.00 52.24 H new ATOM 0 HB2 SER A 32 8.932 -0.416 3.604 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.585 -0.879 3.251 1.00 52.12 H new ATOM 0 HG SER A 32 9.327 -0.088 1.397 1.00 54.11 H new ATOM 493 N GLY A 33 8.172 -3.791 1.789 1.00 1.31 N ATOM 494 CA GLY A 33 8.119 -4.720 0.675 1.00 55.30 C ATOM 495 C GLY A 33 9.136 -4.395 -0.400 1.00 2.44 C ATOM 496 O GLY A 33 9.664 -5.292 -1.059 1.00 22.34 O ATOM 0 H GLY A 33 7.278 -3.367 2.037 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.293 -5.732 1.041 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.119 -4.705 0.241 1.00 55.30 H new ATOM 500 N THR A 34 9.413 -3.108 -0.581 1.00 51.35 N ATOM 501 CA THR A 34 10.371 -2.665 -1.586 1.00 3.10 C ATOM 502 C THR A 34 11.759 -2.489 -0.982 1.00 64.01 C ATOM 503 O THR A 34 12.481 -1.552 -1.322 1.00 73.14 O ATOM 504 CB THR A 34 9.934 -1.338 -2.234 1.00 42.35 C ATOM 505 OG1 THR A 34 9.989 -0.281 -1.271 1.00 2.24 O ATOM 506 CG2 THR A 34 8.524 -1.448 -2.795 1.00 32.33 C ATOM 0 H THR A 34 8.987 -2.353 -0.044 1.00 51.35 H new ATOM 0 HA THR A 34 10.406 -3.440 -2.352 1.00 3.10 H new ATOM 0 HB THR A 34 10.618 -1.117 -3.054 1.00 42.35 H new ATOM 0 HG1 THR A 34 9.888 -0.654 -0.370 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.237 -0.499 -3.247 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.493 -2.234 -3.550 1.00 32.33 H new ATOM 0 HG23 THR A 34 7.830 -1.690 -1.990 1.00 32.33 H new ATOM 514 N THR A 35 12.129 -3.398 -0.084 1.00 44.01 N ATOM 515 CA THR A 35 13.430 -3.342 0.567 1.00 42.43 C ATOM 516 C THR A 35 14.157 -4.678 0.460 1.00 0.31 C ATOM 517 O THR A 35 13.825 -5.633 1.160 1.00 42.14 O ATOM 518 CB THR A 35 13.299 -2.961 2.054 1.00 23.32 C ATOM 519 OG1 THR A 35 12.395 -1.860 2.199 1.00 14.23 O ATOM 520 CG2 THR A 35 14.653 -2.592 2.641 1.00 52.31 C ATOM 0 H THR A 35 11.545 -4.181 0.208 1.00 44.01 H new ATOM 0 HA THR A 35 14.007 -2.574 0.052 1.00 42.43 H new ATOM 0 HB THR A 35 12.911 -3.824 2.594 1.00 23.32 H new ATOM 0 HG1 THR A 35 12.739 -1.241 2.877 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.534 -2.327 3.692 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.330 -3.442 2.556 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.066 -1.743 2.097 1.00 52.31 H new ATOM 528 N ASN A 36 15.149 -4.737 -0.423 1.00 22.34 N ATOM 529 CA ASN A 36 15.923 -5.957 -0.621 1.00 3.42 C ATOM 530 C ASN A 36 16.485 -6.468 0.703 1.00 24.22 C ATOM 531 O ASN A 36 17.432 -5.901 1.247 1.00 54.35 O ATOM 532 CB ASN A 36 17.064 -5.707 -1.609 1.00 23.01 C ATOM 533 CG ASN A 36 17.738 -6.991 -2.052 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.404 -8.076 -1.576 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.694 -6.874 -2.966 1.00 21.54 N ATOM 0 H ASN A 36 15.435 -3.955 -1.012 1.00 22.34 H new ATOM 0 HA ASN A 36 15.257 -6.717 -1.029 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.676 -5.184 -2.483 1.00 23.01 H new ATOM 0 HB3 ASN A 36 17.803 -5.052 -1.148 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.184 -7.704 -3.301 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.939 -5.954 -3.333 1.00 21.54 H new ATOM 542 N LEU A 37 15.894 -7.542 1.214 1.00 42.04 N ATOM 543 CA LEU A 37 16.335 -8.130 2.474 1.00 41.12 C ATOM 544 C LEU A 37 17.730 -8.732 2.335 1.00 34.43 C ATOM 545 O LEU A 37 18.369 -9.077 3.328 1.00 41.43 O ATOM 546 CB LEU A 37 15.346 -9.205 2.931 1.00 32.32 C ATOM 547 CG LEU A 37 13.864 -8.846 2.818 1.00 23.33 C ATOM 548 CD1 LEU A 37 12.996 -10.043 3.175 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.534 -7.660 3.713 1.00 73.30 C ATOM 0 H LEU A 37 15.109 -8.023 0.776 1.00 42.04 H new ATOM 0 HA LEU A 37 16.374 -7.339 3.223 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.526 -10.108 2.347 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.562 -9.450 3.971 1.00 32.32 H new ATOM 0 HG LEU A 37 13.655 -8.567 1.785 1.00 23.33 H new ATOM 0 HD11 LEU A 37 11.945 -9.769 3.089 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.213 -10.866 2.494 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.207 -10.353 4.198 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.475 -7.418 3.620 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.759 -7.912 4.749 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.131 -6.799 3.411 1.00 73.30 H new ATOM 561 N ALA A 38 18.196 -8.852 1.096 1.00 11.43 N ATOM 562 CA ALA A 38 19.516 -9.408 0.828 1.00 64.01 C ATOM 563 C ALA A 38 20.592 -8.330 0.912 1.00 74.52 C ATOM 564 O ALA A 38 21.635 -8.526 1.537 1.00 11.43 O ATOM 565 CB ALA A 38 19.540 -10.075 -0.539 1.00 72.25 C ATOM 0 H ALA A 38 17.679 -8.572 0.263 1.00 11.43 H new ATOM 0 HA ALA A 38 19.729 -10.158 1.590 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.532 -10.486 -0.726 1.00 72.25 H new ATOM 0 HB2 ALA A 38 18.804 -10.878 -0.565 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.301 -9.339 -1.307 1.00 72.25 H new ATOM 571 N LYS A 39 20.334 -7.191 0.278 1.00 24.43 N ATOM 572 CA LYS A 39 21.279 -6.081 0.281 1.00 74.40 C ATOM 573 C LYS A 39 21.098 -5.215 1.523 1.00 20.11 C ATOM 574 O LYS A 39 22.051 -4.962 2.259 1.00 33.41 O ATOM 575 CB LYS A 39 21.101 -5.229 -0.978 1.00 32.01 C ATOM 576 CG LYS A 39 22.370 -4.519 -1.416 1.00 13.31 C ATOM 577 CD LYS A 39 23.363 -5.485 -2.040 1.00 0.14 C ATOM 578 CE LYS A 39 23.129 -5.636 -3.535 1.00 0.24 C ATOM 579 NZ LYS A 39 24.197 -6.444 -4.186 1.00 32.20 N ATOM 0 H LYS A 39 19.477 -7.013 -0.245 1.00 24.43 H new ATOM 0 HA LYS A 39 22.287 -6.495 0.293 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.752 -5.866 -1.791 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.323 -4.487 -0.797 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.121 -3.737 -2.134 1.00 13.31 H new ATOM 0 HG3 LYS A 39 22.829 -4.029 -0.557 1.00 13.31 H new ATOM 0 HD2 LYS A 39 24.378 -5.129 -1.864 1.00 0.14 H new ATOM 0 HD3 LYS A 39 23.278 -6.458 -1.557 1.00 0.14 H new ATOM 0 HE2 LYS A 39 22.162 -6.109 -3.705 1.00 0.24 H new ATOM 0 HE3 LYS A 39 23.087 -4.650 -3.997 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 24.000 -6.523 -5.204 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 25.117 -5.980 -4.046 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 24.220 -7.394 -3.763 1.00 32.20 H new ATOM 593 N ASP A 40 19.869 -4.766 1.752 1.00 63.34 N ATOM 594 CA ASP A 40 19.562 -3.931 2.907 1.00 12.34 C ATOM 595 C ASP A 40 20.116 -4.549 4.187 1.00 41.35 C ATOM 596 O ASP A 40 20.980 -3.970 4.846 1.00 11.14 O ATOM 597 CB ASP A 40 18.051 -3.732 3.033 1.00 60.32 C ATOM 598 CG ASP A 40 17.695 -2.538 3.896 1.00 10.42 C ATOM 599 OD1 ASP A 40 17.684 -1.406 3.368 1.00 22.23 O ATOM 600 OD2 ASP A 40 17.424 -2.735 5.100 1.00 43.03 O ATOM 0 H ASP A 40 19.069 -4.967 1.152 1.00 63.34 H new ATOM 0 HA ASP A 40 20.036 -2.961 2.759 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.621 -3.600 2.040 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.603 -4.630 3.458 1.00 60.32 H new ATOM 605 N PHE A 41 19.612 -5.728 4.534 1.00 51.23 N ATOM 606 CA PHE A 41 20.054 -6.425 5.737 1.00 55.34 C ATOM 607 C PHE A 41 21.398 -7.110 5.506 1.00 13.42 C ATOM 608 O PHE A 41 21.974 -7.693 6.422 1.00 4.32 O ATOM 609 CB PHE A 41 19.009 -7.457 6.166 1.00 32.53 C ATOM 610 CG PHE A 41 17.707 -6.847 6.602 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.687 -5.803 7.514 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.505 -7.317 6.101 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.490 -5.241 7.916 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.305 -6.759 6.500 1.00 63.51 C ATOM 615 CZ PHE A 41 15.298 -5.718 7.408 1.00 32.44 C ATOM 0 H PHE A 41 18.897 -6.221 4.000 1.00 51.23 H new ATOM 0 HA PHE A 41 20.174 -5.688 6.531 1.00 55.34 H new ATOM 0 HB2 PHE A 41 18.822 -8.139 5.337 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.413 -8.053 6.984 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.616 -5.425 7.914 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.505 -8.130 5.390 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.487 -4.429 8.628 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.374 -7.136 6.103 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.362 -5.278 7.720 1.00 32.44 H new ATOM 625 N ASN A 42 21.888 -7.035 4.273 1.00 62.01 N ATOM 626 CA ASN A 42 23.163 -7.650 3.919 1.00 43.41 C ATOM 627 C ASN A 42 23.202 -9.111 4.354 1.00 32.20 C ATOM 628 O ASN A 42 24.196 -9.578 4.912 1.00 14.03 O ATOM 629 CB ASN A 42 24.318 -6.883 4.565 1.00 74.50 C ATOM 630 CG ASN A 42 25.589 -6.948 3.740 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.548 -7.199 2.535 1.00 64.32 O ATOM 632 ND2 ASN A 42 26.727 -6.723 4.388 1.00 71.31 N ATOM 0 H ASN A 42 21.422 -6.555 3.503 1.00 62.01 H new ATOM 0 HA ASN A 42 23.269 -7.610 2.835 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.028 -5.841 4.699 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.511 -7.291 5.557 1.00 74.50 H new ATOM 0 HD21 ASN A 42 27.614 -6.755 3.886 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.713 -6.519 5.387 1.00 71.31 H new ATOM 639 N LEU A 43 22.114 -9.829 4.094 1.00 0.14 N ATOM 640 CA LEU A 43 22.024 -11.239 4.459 1.00 4.12 C ATOM 641 C LEU A 43 23.168 -12.035 3.839 1.00 55.50 C ATOM 642 O LEU A 43 23.687 -11.677 2.782 1.00 12.51 O ATOM 643 CB LEU A 43 20.682 -11.817 4.006 1.00 2.23 C ATOM 644 CG LEU A 43 19.477 -11.480 4.884 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.196 -12.015 4.261 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.664 -12.042 6.286 1.00 61.35 C ATOM 0 H LEU A 43 21.283 -9.459 3.633 1.00 0.14 H new ATOM 0 HA LEU A 43 22.099 -11.315 5.544 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.480 -11.464 2.995 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.776 -12.902 3.952 1.00 2.23 H new ATOM 0 HG LEU A 43 19.397 -10.395 4.956 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.349 -11.766 4.900 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.054 -11.565 3.278 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.266 -13.098 4.158 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.796 -11.792 6.897 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.770 -13.125 6.232 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.559 -11.611 6.734 1.00 61.35 H new ATOM 658 N ASP A 44 23.556 -13.118 4.505 1.00 13.11 N ATOM 659 CA ASP A 44 24.636 -13.969 4.018 1.00 72.53 C ATOM 660 C ASP A 44 24.104 -15.032 3.063 1.00 75.24 C ATOM 661 O ASP A 44 22.930 -15.399 3.119 1.00 40.44 O ATOM 662 CB ASP A 44 25.357 -14.635 5.191 1.00 51.15 C ATOM 663 CG ASP A 44 26.814 -14.923 4.887 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.581 -13.958 4.689 1.00 63.34 O ATOM 665 OD2 ASP A 44 27.186 -16.114 4.845 1.00 30.42 O ATOM 0 H ASP A 44 23.139 -13.427 5.383 1.00 13.11 H new ATOM 0 HA ASP A 44 25.343 -13.341 3.475 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.292 -13.990 6.067 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.851 -15.567 5.443 1.00 51.15 H new ATOM 670 N SER A 45 24.974 -15.521 2.185 1.00 65.32 N ATOM 671 CA SER A 45 24.589 -16.539 1.214 1.00 60.12 C ATOM 672 C SER A 45 23.969 -17.746 1.909 1.00 31.24 C ATOM 673 O SER A 45 23.163 -18.470 1.321 1.00 40.22 O ATOM 674 CB SER A 45 25.805 -16.977 0.395 1.00 63.42 C ATOM 675 OG SER A 45 25.436 -17.908 -0.607 1.00 12.42 O ATOM 0 H SER A 45 25.950 -15.229 2.126 1.00 65.32 H new ATOM 0 HA SER A 45 23.845 -16.106 0.545 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.269 -16.106 -0.067 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.550 -17.423 1.054 1.00 63.42 H new ATOM 0 HG SER A 45 26.230 -18.171 -1.117 1.00 12.42 H new ATOM 681 N LEU A 46 24.348 -17.958 3.164 1.00 71.33 N ATOM 682 CA LEU A 46 23.830 -19.078 3.943 1.00 25.25 C ATOM 683 C LEU A 46 22.378 -18.835 4.346 1.00 62.14 C ATOM 684 O LEU A 46 21.521 -19.701 4.168 1.00 62.33 O ATOM 685 CB LEU A 46 24.687 -19.299 5.189 1.00 13.24 C ATOM 686 CG LEU A 46 26.186 -19.489 4.948 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.969 -19.235 6.227 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.467 -20.887 4.417 1.00 75.23 C ATOM 0 H LEU A 46 25.013 -17.369 3.665 1.00 71.33 H new ATOM 0 HA LEU A 46 23.871 -19.971 3.320 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.552 -18.446 5.855 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.310 -20.176 5.714 1.00 13.24 H new ATOM 0 HG LEU A 46 26.509 -18.766 4.199 1.00 31.11 H new ATOM 0 HD11 LEU A 46 28.033 -19.375 6.036 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.792 -18.214 6.565 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.644 -19.934 6.998 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.538 -21.005 4.251 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.129 -21.627 5.143 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.936 -21.032 3.476 1.00 75.23 H new ATOM 700 N ASP A 47 22.110 -17.652 4.887 1.00 2.12 N ATOM 701 CA ASP A 47 20.763 -17.294 5.313 1.00 55.22 C ATOM 702 C ASP A 47 19.780 -17.396 4.151 1.00 62.23 C ATOM 703 O ASP A 47 18.717 -18.005 4.274 1.00 64.30 O ATOM 704 CB ASP A 47 20.747 -15.876 5.887 1.00 35.55 C ATOM 705 CG ASP A 47 20.248 -15.837 7.318 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.225 -16.492 7.609 1.00 73.34 O ATOM 707 OD2 ASP A 47 20.880 -15.150 8.148 1.00 22.24 O ATOM 0 H ASP A 47 22.808 -16.925 5.041 1.00 2.12 H new ATOM 0 HA ASP A 47 20.455 -17.996 6.088 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.753 -15.458 5.844 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.113 -15.243 5.267 1.00 35.55 H new ATOM 712 N PHE A 48 20.143 -16.797 3.022 1.00 64.30 N ATOM 713 CA PHE A 48 19.293 -16.819 1.837 1.00 64.44 C ATOM 714 C PHE A 48 18.873 -18.246 1.495 1.00 11.41 C ATOM 715 O PHE A 48 17.702 -18.514 1.229 1.00 74.22 O ATOM 716 CB PHE A 48 20.022 -16.190 0.647 1.00 22.22 C ATOM 717 CG PHE A 48 19.100 -15.722 -0.441 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.385 -14.543 -0.302 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.948 -16.460 -1.605 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.536 -14.108 -1.303 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.101 -16.030 -2.608 1.00 10.41 C ATOM 722 CZ PHE A 48 17.393 -14.854 -2.457 1.00 43.02 C ATOM 0 H PHE A 48 21.020 -16.290 2.902 1.00 64.30 H new ATOM 0 HA PHE A 48 18.397 -16.237 2.053 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.614 -15.345 0.999 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.720 -16.918 0.233 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.492 -13.957 0.599 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.498 -17.381 -1.729 1.00 12.05 H new ATOM 0 HE1 PHE A 48 16.986 -13.187 -1.183 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.993 -16.614 -3.510 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.729 -14.518 -3.240 1.00 43.02 H new ATOM 732 N VAL A 49 19.840 -19.158 1.502 1.00 31.14 N ATOM 733 CA VAL A 49 19.573 -20.558 1.193 1.00 4.02 C ATOM 734 C VAL A 49 18.463 -21.114 2.078 1.00 75.11 C ATOM 735 O VAL A 49 17.480 -21.668 1.585 1.00 13.45 O ATOM 736 CB VAL A 49 20.836 -21.422 1.368 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.519 -22.888 1.110 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.945 -20.938 0.447 1.00 40.22 C ATOM 0 H VAL A 49 20.815 -18.953 1.718 1.00 31.14 H new ATOM 0 HA VAL A 49 19.257 -20.598 0.151 1.00 4.02 H new ATOM 0 HB VAL A 49 21.182 -21.325 2.397 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.423 -23.484 1.238 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.759 -23.225 1.815 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.148 -23.006 0.092 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.829 -21.560 0.584 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.612 -21.004 -0.589 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.189 -19.903 0.685 1.00 40.22 H new ATOM 748 N ASP A 50 18.626 -20.961 3.388 1.00 22.50 N ATOM 749 CA ASP A 50 17.637 -21.446 4.343 1.00 13.12 C ATOM 750 C ASP A 50 16.295 -20.749 4.138 1.00 71.13 C ATOM 751 O ASP A 50 15.239 -21.322 4.408 1.00 54.43 O ATOM 752 CB ASP A 50 18.128 -21.224 5.775 1.00 0.42 C ATOM 753 CG ASP A 50 17.380 -22.077 6.781 1.00 65.22 C ATOM 754 OD1 ASP A 50 17.438 -23.318 6.665 1.00 24.13 O ATOM 755 OD2 ASP A 50 16.739 -21.503 7.686 1.00 60.22 O ATOM 0 H ASP A 50 19.434 -20.505 3.812 1.00 22.50 H new ATOM 0 HA ASP A 50 17.500 -22.514 4.175 1.00 13.12 H new ATOM 0 HB2 ASP A 50 19.193 -21.451 5.831 1.00 0.42 H new ATOM 0 HB3 ASP A 50 18.012 -20.172 6.037 1.00 0.42 H new ATOM 760 N LEU A 51 16.345 -19.511 3.660 1.00 21.14 N ATOM 761 CA LEU A 51 15.134 -18.734 3.419 1.00 73.32 C ATOM 762 C LEU A 51 14.330 -19.325 2.264 1.00 12.04 C ATOM 763 O LEU A 51 13.167 -19.694 2.430 1.00 41.05 O ATOM 764 CB LEU A 51 15.490 -17.278 3.116 1.00 42.44 C ATOM 765 CG LEU A 51 15.437 -16.313 4.300 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.349 -15.120 4.058 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.008 -15.853 4.549 1.00 62.45 C ATOM 0 H LEU A 51 17.211 -19.023 3.431 1.00 21.14 H new ATOM 0 HA LEU A 51 14.522 -18.771 4.320 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.495 -17.251 2.696 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.812 -16.912 2.345 1.00 42.44 H new ATOM 0 HG LEU A 51 15.789 -16.838 5.188 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.298 -14.444 4.912 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.375 -15.466 3.930 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.029 -14.594 3.159 1.00 12.25 H new ATOM 0 HD21 LEU A 51 13.989 -15.167 5.395 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.629 -15.346 3.662 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.381 -16.717 4.768 1.00 62.45 H new ATOM 779 N ILE A 52 14.957 -19.412 1.097 1.00 42.41 N ATOM 780 CA ILE A 52 14.301 -19.960 -0.083 1.00 64.52 C ATOM 781 C ILE A 52 13.839 -21.393 0.160 1.00 62.04 C ATOM 782 O ILE A 52 12.768 -21.796 -0.291 1.00 73.21 O ATOM 783 CB ILE A 52 15.233 -19.933 -1.309 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.544 -20.656 -0.995 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.501 -18.499 -1.741 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.560 -20.575 -2.113 1.00 45.42 C ATOM 0 H ILE A 52 15.919 -19.110 0.943 1.00 42.41 H new ATOM 0 HA ILE A 52 13.434 -19.331 -0.283 1.00 64.52 H new ATOM 0 HB ILE A 52 14.742 -20.452 -2.132 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.977 -20.230 -0.090 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.330 -21.704 -0.784 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.161 -18.498 -2.608 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.559 -18.015 -2.001 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.975 -17.955 -0.924 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.465 -21.109 -1.822 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.146 -21.027 -3.014 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.802 -19.531 -2.309 1.00 45.42 H new ATOM 798 N MET A 53 14.656 -22.157 0.877 1.00 51.11 N ATOM 799 CA MET A 53 14.330 -23.546 1.183 1.00 32.40 C ATOM 800 C MET A 53 13.149 -23.627 2.144 1.00 13.42 C ATOM 801 O MET A 53 12.270 -24.477 1.992 1.00 74.24 O ATOM 802 CB MET A 53 15.543 -24.256 1.787 1.00 44.13 C ATOM 803 CG MET A 53 16.632 -24.568 0.773 1.00 25.10 C ATOM 804 SD MET A 53 17.293 -26.236 0.954 1.00 72.30 S ATOM 805 CE MET A 53 15.818 -27.216 0.681 1.00 3.12 C ATOM 0 H MET A 53 15.548 -21.839 1.257 1.00 51.11 H new ATOM 0 HA MET A 53 14.054 -24.042 0.252 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.962 -23.633 2.578 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.215 -25.185 2.253 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.231 -24.448 -0.233 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.442 -23.847 0.882 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.092 -28.166 0.223 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.323 -27.402 1.634 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.140 -26.677 0.019 1.00 3.12 H new ATOM 815 N SER A 54 13.133 -22.740 3.133 1.00 2.33 N ATOM 816 CA SER A 54 12.061 -22.715 4.122 1.00 62.54 C ATOM 817 C SER A 54 10.715 -22.444 3.456 1.00 44.30 C ATOM 818 O SER A 54 9.757 -23.196 3.639 1.00 20.01 O ATOM 819 CB SER A 54 12.342 -21.649 5.183 1.00 71.54 C ATOM 820 OG SER A 54 13.246 -22.130 6.163 1.00 73.12 O ATOM 0 H SER A 54 13.851 -22.028 3.271 1.00 2.33 H new ATOM 0 HA SER A 54 12.019 -23.693 4.602 1.00 62.54 H new ATOM 0 HB2 SER A 54 12.755 -20.759 4.708 1.00 71.54 H new ATOM 0 HB3 SER A 54 11.408 -21.351 5.660 1.00 71.54 H new ATOM 0 HG SER A 54 14.166 -21.997 5.853 1.00 73.12 H new ATOM 826 N LEU A 55 10.651 -21.365 2.683 1.00 14.25 N ATOM 827 CA LEU A 55 9.423 -20.994 1.990 1.00 10.24 C ATOM 828 C LEU A 55 9.059 -22.032 0.934 1.00 75.25 C ATOM 829 O LEU A 55 7.884 -22.334 0.726 1.00 71.11 O ATOM 830 CB LEU A 55 9.579 -19.619 1.337 1.00 41.14 C ATOM 831 CG LEU A 55 9.189 -18.419 2.201 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.622 -17.121 1.536 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.691 -18.412 2.460 1.00 42.13 C ATOM 0 H LEU A 55 11.435 -20.733 2.521 1.00 14.25 H new ATOM 0 HA LEU A 55 8.619 -20.952 2.724 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.619 -19.499 1.032 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.976 -19.599 0.429 1.00 41.14 H new ATOM 0 HG LEU A 55 9.702 -18.503 3.159 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.337 -16.277 2.164 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.704 -17.124 1.402 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.136 -17.030 0.564 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.432 -17.551 3.076 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.158 -18.352 1.511 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.407 -19.328 2.979 1.00 42.13 H new ATOM 845 N GLU A 56 10.074 -22.575 0.270 1.00 54.04 N ATOM 846 CA GLU A 56 9.861 -23.582 -0.764 1.00 2.32 C ATOM 847 C GLU A 56 9.105 -24.784 -0.205 1.00 62.44 C ATOM 848 O GLU A 56 8.089 -25.204 -0.759 1.00 54.25 O ATOM 849 CB GLU A 56 11.198 -24.035 -1.351 1.00 1.43 C ATOM 850 CG GLU A 56 11.061 -25.088 -2.437 1.00 42.31 C ATOM 851 CD GLU A 56 12.354 -25.838 -2.689 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.422 -25.190 -2.701 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.300 -27.072 -2.876 1.00 62.11 O ATOM 0 H GLU A 56 11.052 -22.335 0.429 1.00 54.04 H new ATOM 0 HA GLU A 56 9.260 -23.132 -1.554 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.717 -23.169 -1.760 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.821 -24.431 -0.549 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.283 -25.797 -2.154 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.736 -24.611 -3.362 1.00 42.31 H new ATOM 860 N GLU A 57 9.608 -25.332 0.896 1.00 54.50 N ATOM 861 CA GLU A 57 8.982 -26.487 1.529 1.00 24.33 C ATOM 862 C GLU A 57 7.675 -26.091 2.210 1.00 63.24 C ATOM 863 O GLU A 57 6.739 -26.887 2.293 1.00 51.32 O ATOM 864 CB GLU A 57 9.932 -27.115 2.551 1.00 70.42 C ATOM 865 CG GLU A 57 10.102 -26.288 3.814 1.00 45.51 C ATOM 866 CD GLU A 57 10.968 -26.976 4.851 1.00 41.40 C ATOM 867 OE1 GLU A 57 10.552 -28.039 5.359 1.00 54.44 O ATOM 868 OE2 GLU A 57 12.061 -26.454 5.153 1.00 54.52 O ATOM 0 H GLU A 57 10.447 -24.995 1.368 1.00 54.50 H new ATOM 0 HA GLU A 57 8.761 -27.219 0.752 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.559 -28.103 2.821 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.908 -27.258 2.087 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.545 -25.326 3.557 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.122 -26.082 4.244 1.00 45.51 H new ATOM 875 N ARG A 58 7.620 -24.856 2.698 1.00 53.32 N ATOM 876 CA ARG A 58 6.429 -24.355 3.374 1.00 13.33 C ATOM 877 C ARG A 58 5.211 -24.426 2.456 1.00 74.53 C ATOM 878 O ARG A 58 4.208 -25.058 2.787 1.00 31.54 O ATOM 879 CB ARG A 58 6.648 -22.913 3.837 1.00 54.15 C ATOM 880 CG ARG A 58 5.460 -22.325 4.580 1.00 74.42 C ATOM 881 CD ARG A 58 5.584 -22.535 6.081 1.00 52.45 C ATOM 882 NE ARG A 58 5.091 -23.846 6.494 1.00 53.44 N ATOM 883 CZ ARG A 58 4.905 -24.198 7.761 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.171 -23.338 8.736 1.00 42.21 N ATOM 885 NH2 ARG A 58 4.454 -25.410 8.056 1.00 23.43 N ATOM 0 H ARG A 58 8.385 -24.184 2.638 1.00 53.32 H new ATOM 0 HA ARG A 58 6.244 -24.985 4.244 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.524 -22.877 4.484 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.867 -22.291 2.969 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.386 -21.259 4.365 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.540 -22.787 4.221 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.628 -22.431 6.376 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.026 -21.757 6.603 1.00 52.45 H new ATOM 0 HE ARG A 58 4.877 -24.530 5.768 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.519 -22.405 8.513 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.028 -23.610 9.709 1.00 42.21 H new ATOM 0 HH21 ARG A 58 4.249 -26.074 7.309 1.00 23.43 H new ATOM 0 HH22 ARG A 58 4.312 -25.678 9.030 1.00 23.43 H new ATOM 899 N PHE A 59 5.308 -23.774 1.303 1.00 13.35 N ATOM 900 CA PHE A 59 4.215 -23.761 0.338 1.00 45.43 C ATOM 901 C PHE A 59 4.414 -24.840 -0.723 1.00 63.14 C ATOM 902 O PHE A 59 3.716 -24.865 -1.737 1.00 53.21 O ATOM 903 CB PHE A 59 4.109 -22.388 -0.328 1.00 45.14 C ATOM 904 CG PHE A 59 3.605 -21.313 0.592 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.488 -20.567 1.356 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.249 -21.049 0.692 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.027 -19.577 2.204 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.783 -20.059 1.537 1.00 62.10 C ATOM 909 CZ PHE A 59 2.673 -19.323 2.294 1.00 34.21 C ATOM 0 H PHE A 59 6.132 -23.247 1.014 1.00 13.35 H new ATOM 0 HA PHE A 59 3.289 -23.969 0.874 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.090 -22.100 -0.707 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.443 -22.461 -1.188 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.548 -20.761 1.288 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.548 -21.623 0.104 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.725 -19.003 2.795 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.723 -19.861 1.605 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.310 -18.550 2.955 1.00 34.21 H new ATOM 919 N SER A 60 5.372 -25.729 -0.483 1.00 31.03 N ATOM 920 CA SER A 60 5.668 -26.807 -1.418 1.00 23.01 C ATOM 921 C SER A 60 5.878 -26.260 -2.827 1.00 74.45 C ATOM 922 O SER A 60 5.603 -26.941 -3.817 1.00 64.52 O ATOM 923 CB SER A 60 4.533 -27.834 -1.421 1.00 35.11 C ATOM 924 OG SER A 60 3.904 -27.901 -0.153 1.00 74.33 O ATOM 0 H SER A 60 5.957 -25.724 0.352 1.00 31.03 H new ATOM 0 HA SER A 60 6.588 -27.294 -1.095 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.799 -27.567 -2.181 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.926 -28.815 -1.688 1.00 35.11 H new ATOM 0 HG SER A 60 3.181 -28.563 -0.181 1.00 74.33 H new ATOM 930 N LEU A 61 6.366 -25.028 -2.911 1.00 21.40 N ATOM 931 CA LEU A 61 6.614 -24.389 -4.199 1.00 71.22 C ATOM 932 C LEU A 61 7.884 -24.935 -4.843 1.00 54.53 C ATOM 933 O LEU A 61 8.772 -25.437 -4.156 1.00 0.43 O ATOM 934 CB LEU A 61 6.729 -22.874 -4.024 1.00 74.25 C ATOM 935 CG LEU A 61 7.018 -22.071 -5.293 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.908 -22.267 -6.313 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.189 -20.596 -4.964 1.00 62.50 C ATOM 0 H LEU A 61 6.598 -24.451 -2.103 1.00 21.40 H new ATOM 0 HA LEU A 61 5.772 -24.611 -4.855 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.799 -22.507 -3.590 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.520 -22.671 -3.302 1.00 74.25 H new ATOM 0 HG LEU A 61 7.949 -22.436 -5.726 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.131 -21.688 -7.209 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.834 -23.323 -6.572 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.961 -21.931 -5.890 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.394 -20.040 -5.879 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.275 -20.217 -4.506 1.00 62.50 H new ATOM 0 HD23 LEU A 61 8.021 -20.472 -4.270 1.00 62.50 H new ATOM 949 N GLU A 62 7.962 -24.830 -6.166 1.00 64.11 N ATOM 950 CA GLU A 62 9.125 -25.313 -6.902 1.00 40.54 C ATOM 951 C GLU A 62 9.997 -24.150 -7.365 1.00 32.21 C ATOM 952 O GLU A 62 9.756 -23.561 -8.420 1.00 65.30 O ATOM 953 CB GLU A 62 8.683 -26.146 -8.107 1.00 3.23 C ATOM 954 CG GLU A 62 9.824 -26.883 -8.789 1.00 44.02 C ATOM 955 CD GLU A 62 9.338 -27.906 -9.796 1.00 2.22 C ATOM 956 OE1 GLU A 62 8.501 -27.547 -10.651 1.00 32.41 O ATOM 957 OE2 GLU A 62 9.795 -29.066 -9.730 1.00 33.24 O ATOM 0 H GLU A 62 7.235 -24.416 -6.749 1.00 64.11 H new ATOM 0 HA GLU A 62 9.713 -25.940 -6.232 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.936 -26.871 -7.783 1.00 3.23 H new ATOM 0 HB3 GLU A 62 8.199 -25.492 -8.832 1.00 3.23 H new ATOM 0 HG2 GLU A 62 10.468 -26.162 -9.292 1.00 44.02 H new ATOM 0 HG3 GLU A 62 10.432 -27.382 -8.034 1.00 44.02 H new ATOM 964 N ILE A 63 11.010 -23.825 -6.570 1.00 12.34 N ATOM 965 CA ILE A 63 11.918 -22.733 -6.898 1.00 13.42 C ATOM 966 C ILE A 63 13.240 -23.262 -7.445 1.00 50.35 C ATOM 967 O ILE A 63 13.818 -24.201 -6.898 1.00 1.03 O ATOM 968 CB ILE A 63 12.202 -21.848 -5.670 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.891 -21.371 -5.043 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.071 -20.662 -6.061 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.075 -20.671 -3.715 1.00 31.30 C ATOM 0 H ILE A 63 11.223 -24.302 -5.694 1.00 12.34 H new ATOM 0 HA ILE A 63 11.425 -22.133 -7.662 1.00 13.42 H new ATOM 0 HB ILE A 63 12.741 -22.441 -4.931 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.392 -20.693 -5.736 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.231 -22.228 -4.905 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.263 -20.046 -5.182 1.00 44.33 H new ATOM 0 HG22 ILE A 63 14.017 -21.022 -6.466 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.557 -20.067 -6.816 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.104 -20.361 -3.330 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.545 -21.353 -3.006 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.709 -19.795 -3.850 1.00 31.30 H new ATOM 983 N SER A 64 13.712 -22.654 -8.529 1.00 62.12 N ATOM 984 CA SER A 64 14.964 -23.066 -9.152 1.00 24.42 C ATOM 985 C SER A 64 16.028 -21.982 -9.000 1.00 43.13 C ATOM 986 O SER A 64 15.714 -20.821 -8.741 1.00 51.43 O ATOM 987 CB SER A 64 14.743 -23.375 -10.634 1.00 11.30 C ATOM 988 OG SER A 64 13.544 -24.104 -10.829 1.00 62.42 O ATOM 0 H SER A 64 13.246 -21.875 -8.994 1.00 62.12 H new ATOM 0 HA SER A 64 15.313 -23.967 -8.648 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.703 -22.445 -11.201 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.587 -23.947 -11.019 1.00 11.30 H new ATOM 0 HG SER A 64 12.778 -23.495 -10.773 1.00 62.42 H new ATOM 994 N ASP A 65 17.287 -22.372 -9.164 1.00 62.34 N ATOM 995 CA ASP A 65 18.399 -21.435 -9.045 1.00 23.42 C ATOM 996 C ASP A 65 18.181 -20.218 -9.938 1.00 74.13 C ATOM 997 O ASP A 65 18.521 -19.096 -9.567 1.00 54.05 O ATOM 998 CB ASP A 65 19.715 -22.124 -9.413 1.00 52.11 C ATOM 999 CG ASP A 65 20.915 -21.459 -8.769 1.00 70.32 C ATOM 1000 OD1 ASP A 65 21.383 -20.432 -9.303 1.00 61.43 O ATOM 1001 OD2 ASP A 65 21.386 -21.966 -7.729 1.00 71.50 O ATOM 0 H ASP A 65 17.564 -23.330 -9.380 1.00 62.34 H new ATOM 0 HA ASP A 65 18.451 -21.099 -8.009 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.673 -23.169 -9.105 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.836 -22.115 -10.496 1.00 52.11 H new ATOM 1006 N GLU A 66 17.612 -20.449 -11.117 1.00 21.54 N ATOM 1007 CA GLU A 66 17.350 -19.371 -12.064 1.00 3.53 C ATOM 1008 C GLU A 66 16.155 -18.534 -11.618 1.00 44.45 C ATOM 1009 O GLU A 66 16.075 -17.341 -11.911 1.00 51.24 O ATOM 1010 CB GLU A 66 17.096 -19.939 -13.461 1.00 13.04 C ATOM 1011 CG GLU A 66 18.343 -20.007 -14.326 1.00 65.22 C ATOM 1012 CD GLU A 66 18.024 -20.043 -15.809 1.00 70.22 C ATOM 1013 OE1 GLU A 66 17.686 -21.133 -16.318 1.00 75.31 O ATOM 1014 OE2 GLU A 66 18.112 -18.981 -16.459 1.00 23.41 O ATOM 0 H GLU A 66 17.324 -21.373 -11.439 1.00 21.54 H new ATOM 0 HA GLU A 66 18.230 -18.729 -12.096 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.675 -20.940 -13.366 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.349 -19.325 -13.963 1.00 13.04 H new ATOM 0 HG2 GLU A 66 18.974 -19.144 -14.115 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.917 -20.895 -14.060 1.00 65.22 H new ATOM 1021 N ASP A 67 15.228 -19.168 -10.908 1.00 50.34 N ATOM 1022 CA ASP A 67 14.037 -18.482 -10.421 1.00 4.40 C ATOM 1023 C ASP A 67 14.398 -17.466 -9.343 1.00 63.04 C ATOM 1024 O ASP A 67 13.854 -16.362 -9.310 1.00 63.01 O ATOM 1025 CB ASP A 67 13.032 -19.494 -9.869 1.00 31.35 C ATOM 1026 CG ASP A 67 12.661 -20.557 -10.885 1.00 43.02 C ATOM 1027 OD1 ASP A 67 13.030 -20.401 -12.068 1.00 3.12 O ATOM 1028 OD2 ASP A 67 12.002 -21.544 -10.497 1.00 23.01 O ATOM 0 H ASP A 67 15.278 -20.155 -10.657 1.00 50.34 H new ATOM 0 HA ASP A 67 13.585 -17.951 -11.258 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.452 -19.972 -8.984 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.131 -18.970 -9.551 1.00 31.35 H new ATOM 1033 N ALA A 68 15.318 -17.846 -8.462 1.00 50.52 N ATOM 1034 CA ALA A 68 15.752 -16.966 -7.384 1.00 14.12 C ATOM 1035 C ALA A 68 16.531 -15.773 -7.927 1.00 75.14 C ATOM 1036 O ALA A 68 16.620 -14.731 -7.278 1.00 20.01 O ATOM 1037 CB ALA A 68 16.597 -17.737 -6.381 1.00 45.43 C ATOM 0 H ALA A 68 15.777 -18.757 -8.474 1.00 50.52 H new ATOM 0 HA ALA A 68 14.863 -16.587 -6.879 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.914 -17.067 -5.582 1.00 45.43 H new ATOM 0 HB2 ALA A 68 16.008 -18.552 -5.960 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.475 -18.145 -6.882 1.00 45.43 H new ATOM 1043 N GLN A 69 17.093 -15.933 -9.121 1.00 33.43 N ATOM 1044 CA GLN A 69 17.865 -14.869 -9.751 1.00 50.50 C ATOM 1045 C GLN A 69 17.021 -13.610 -9.918 1.00 42.43 C ATOM 1046 O GLN A 69 17.552 -12.505 -10.034 1.00 20.02 O ATOM 1047 CB GLN A 69 18.392 -15.329 -11.112 1.00 42.55 C ATOM 1048 CG GLN A 69 19.908 -15.311 -11.214 1.00 42.41 C ATOM 1049 CD GLN A 69 20.405 -15.706 -12.591 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.390 -14.902 -13.523 1.00 60.33 O ATOM 1051 NE2 GLN A 69 20.849 -16.950 -12.727 1.00 70.11 N ATOM 0 H GLN A 69 17.028 -16.789 -9.671 1.00 33.43 H new ATOM 0 HA GLN A 69 18.710 -14.635 -9.103 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.035 -16.340 -11.308 1.00 42.55 H new ATOM 0 HB3 GLN A 69 17.976 -14.688 -11.889 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.273 -14.313 -10.973 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.326 -15.991 -10.472 1.00 42.41 H new ATOM 0 HE21 GLN A 69 20.844 -17.584 -11.928 1.00 70.11 H new ATOM 0 HE22 GLN A 69 21.196 -17.272 -13.631 1.00 70.11 H new ATOM 1060 N LYS A 70 15.704 -13.784 -9.930 1.00 74.45 N ATOM 1061 CA LYS A 70 14.785 -12.662 -10.082 1.00 1.53 C ATOM 1062 C LYS A 70 14.005 -12.420 -8.795 1.00 1.43 C ATOM 1063 O LYS A 70 13.013 -11.689 -8.785 1.00 51.12 O ATOM 1064 CB LYS A 70 13.815 -12.923 -11.237 1.00 34.22 C ATOM 1065 CG LYS A 70 12.820 -14.035 -10.955 1.00 63.44 C ATOM 1066 CD LYS A 70 13.042 -15.228 -11.870 1.00 33.11 C ATOM 1067 CE LYS A 70 12.736 -14.883 -13.319 1.00 71.42 C ATOM 1068 NZ LYS A 70 12.830 -16.076 -14.205 1.00 44.31 N ATOM 0 H LYS A 70 15.249 -14.692 -9.836 1.00 74.45 H new ATOM 0 HA LYS A 70 15.373 -11.771 -10.303 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.269 -12.005 -11.457 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.386 -13.176 -12.130 1.00 34.22 H new ATOM 0 HG2 LYS A 70 12.911 -14.351 -9.916 1.00 63.44 H new ATOM 0 HG3 LYS A 70 11.806 -13.659 -11.086 1.00 63.44 H new ATOM 0 HD2 LYS A 70 14.075 -15.565 -11.786 1.00 33.11 H new ATOM 0 HD3 LYS A 70 12.409 -16.056 -11.550 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.735 -14.458 -13.387 1.00 71.42 H new ATOM 0 HE3 LYS A 70 13.431 -14.118 -13.665 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 12.614 -15.799 -15.184 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 13.793 -16.467 -14.160 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 12.149 -16.796 -13.891 1.00 44.31 H new ATOM 1082 N LEU A 71 14.459 -13.035 -7.708 1.00 13.15 N ATOM 1083 CA LEU A 71 13.804 -12.885 -6.413 1.00 10.42 C ATOM 1084 C LEU A 71 14.790 -12.396 -5.358 1.00 61.30 C ATOM 1085 O LEU A 71 15.520 -13.190 -4.763 1.00 61.23 O ATOM 1086 CB LEU A 71 13.186 -14.213 -5.975 1.00 23.55 C ATOM 1087 CG LEU A 71 12.203 -14.853 -6.957 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.803 -16.241 -6.483 1.00 21.03 C ATOM 1089 CD2 LEU A 71 10.974 -13.972 -7.131 1.00 12.53 C ATOM 0 H LEU A 71 15.278 -13.642 -7.698 1.00 13.15 H new ATOM 0 HA LEU A 71 13.014 -12.141 -6.517 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.993 -14.921 -5.786 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.671 -14.056 -5.027 1.00 23.55 H new ATOM 0 HG LEU A 71 12.696 -14.950 -7.924 1.00 21.50 H new ATOM 0 HD11 LEU A 71 11.103 -16.681 -7.194 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.690 -16.870 -6.410 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.328 -16.169 -5.504 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.285 -14.443 -7.833 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.479 -13.843 -6.168 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.276 -12.998 -7.517 1.00 12.53 H new ATOM 1101 N GLU A 72 14.806 -11.087 -5.128 1.00 14.33 N ATOM 1102 CA GLU A 72 15.702 -10.495 -4.143 1.00 73.52 C ATOM 1103 C GLU A 72 14.922 -9.658 -3.132 1.00 43.43 C ATOM 1104 O GLU A 72 15.244 -9.641 -1.943 1.00 73.12 O ATOM 1105 CB GLU A 72 16.756 -9.628 -4.834 1.00 41.34 C ATOM 1106 CG GLU A 72 16.185 -8.720 -5.911 1.00 21.33 C ATOM 1107 CD GLU A 72 16.018 -9.426 -7.243 1.00 53.11 C ATOM 1108 OE1 GLU A 72 16.894 -10.243 -7.595 1.00 52.00 O ATOM 1109 OE2 GLU A 72 15.010 -9.162 -7.932 1.00 42.31 O ATOM 0 H GLU A 72 14.208 -10.416 -5.611 1.00 14.33 H new ATOM 0 HA GLU A 72 16.201 -11.305 -3.611 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.260 -9.017 -4.085 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.512 -10.275 -5.279 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.218 -8.338 -5.583 1.00 21.33 H new ATOM 0 HG3 GLU A 72 16.841 -7.859 -6.040 1.00 21.33 H new ATOM 1116 N THR A 73 13.896 -8.963 -3.614 1.00 72.44 N ATOM 1117 CA THR A 73 13.072 -8.123 -2.754 1.00 4.34 C ATOM 1118 C THR A 73 11.847 -8.882 -2.255 1.00 12.00 C ATOM 1119 O THR A 73 11.419 -9.861 -2.868 1.00 42.34 O ATOM 1120 CB THR A 73 12.609 -6.851 -3.489 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.179 -7.180 -4.814 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.732 -5.827 -3.555 1.00 4.33 C ATOM 0 H THR A 73 13.616 -8.965 -4.595 1.00 72.44 H new ATOM 0 HA THR A 73 13.691 -7.838 -1.903 1.00 4.34 H new ATOM 0 HB THR A 73 11.776 -6.419 -2.934 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.885 -6.366 -5.274 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.383 -4.937 -4.078 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.038 -5.557 -2.544 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.581 -6.252 -4.090 1.00 4.33 H new ATOM 1130 N VAL A 74 11.286 -8.424 -1.140 1.00 44.25 N ATOM 1131 CA VAL A 74 10.109 -9.059 -0.560 1.00 71.10 C ATOM 1132 C VAL A 74 8.959 -9.102 -1.561 1.00 60.12 C ATOM 1133 O VAL A 74 8.372 -10.158 -1.801 1.00 22.51 O ATOM 1134 CB VAL A 74 9.642 -8.321 0.709 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.525 -9.092 1.395 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.810 -8.102 1.657 1.00 34.04 C ATOM 0 H VAL A 74 11.628 -7.615 -0.621 1.00 44.25 H new ATOM 0 HA VAL A 74 10.396 -10.077 -0.295 1.00 71.10 H new ATOM 0 HB VAL A 74 9.252 -7.346 0.418 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.208 -8.555 2.289 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.680 -9.192 0.714 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.885 -10.082 1.675 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.462 -7.579 2.548 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.232 -9.065 1.943 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.574 -7.504 1.161 1.00 34.04 H new ATOM 1146 N ASP A 75 8.643 -7.950 -2.141 1.00 22.54 N ATOM 1147 CA ASP A 75 7.563 -7.858 -3.118 1.00 40.14 C ATOM 1148 C ASP A 75 7.752 -8.879 -4.235 1.00 70.00 C ATOM 1149 O ASP A 75 6.843 -9.650 -4.544 1.00 42.53 O ATOM 1150 CB ASP A 75 7.500 -6.447 -3.706 1.00 63.23 C ATOM 1151 CG ASP A 75 6.309 -6.257 -4.626 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.164 -6.377 -4.144 1.00 23.41 O ATOM 1153 OD2 ASP A 75 6.524 -5.988 -5.826 1.00 1.32 O ATOM 0 H ASP A 75 9.118 -7.067 -1.952 1.00 22.54 H new ATOM 0 HA ASP A 75 6.624 -8.074 -2.608 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.449 -5.720 -2.895 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.418 -6.245 -4.258 1.00 63.23 H new ATOM 1158 N ASP A 76 8.936 -8.879 -4.836 1.00 53.01 N ATOM 1159 CA ASP A 76 9.244 -9.807 -5.919 1.00 32.13 C ATOM 1160 C ASP A 76 9.035 -11.251 -5.473 1.00 4.15 C ATOM 1161 O ASP A 76 8.364 -12.029 -6.151 1.00 73.03 O ATOM 1162 CB ASP A 76 10.684 -9.609 -6.394 1.00 73.52 C ATOM 1163 CG ASP A 76 10.855 -8.348 -7.218 1.00 1.45 C ATOM 1164 OD1 ASP A 76 9.852 -7.633 -7.422 1.00 14.20 O ATOM 1165 OD2 ASP A 76 11.992 -8.077 -7.659 1.00 43.24 O ATOM 0 H ASP A 76 9.699 -8.247 -4.592 1.00 53.01 H new ATOM 0 HA ASP A 76 8.565 -9.600 -6.747 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.346 -9.567 -5.529 1.00 73.52 H new ATOM 0 HB3 ASP A 76 10.989 -10.471 -6.987 1.00 73.52 H new ATOM 1170 N ILE A 77 9.616 -11.601 -4.331 1.00 33.41 N ATOM 1171 CA ILE A 77 9.493 -12.952 -3.796 1.00 42.01 C ATOM 1172 C ILE A 77 8.031 -13.334 -3.598 1.00 14.23 C ATOM 1173 O ILE A 77 7.567 -14.348 -4.121 1.00 4.43 O ATOM 1174 CB ILE A 77 10.236 -13.095 -2.455 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.721 -12.774 -2.631 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.055 -14.499 -1.896 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.370 -12.207 -1.388 1.00 0.20 C ATOM 0 H ILE A 77 10.176 -10.969 -3.759 1.00 33.41 H new ATOM 0 HA ILE A 77 9.945 -13.623 -4.526 1.00 42.01 H new ATOM 0 HB ILE A 77 9.812 -12.384 -1.745 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.248 -13.682 -2.924 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.836 -12.061 -3.448 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.586 -14.584 -0.948 1.00 54.54 H new ATOM 0 HG22 ILE A 77 8.994 -14.693 -1.737 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.455 -15.226 -2.603 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.422 -12.004 -1.587 1.00 0.20 H new ATOM 0 HD12 ILE A 77 11.869 -11.281 -1.106 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.288 -12.927 -0.574 1.00 0.20 H new ATOM 1189 N CYS A 78 7.309 -12.516 -2.842 1.00 61.25 N ATOM 1190 CA CYS A 78 5.896 -12.767 -2.575 1.00 2.14 C ATOM 1191 C CYS A 78 5.104 -12.851 -3.876 1.00 72.24 C ATOM 1192 O CYS A 78 4.149 -13.620 -3.984 1.00 42.05 O ATOM 1193 CB CYS A 78 5.321 -11.665 -1.684 1.00 33.40 C ATOM 1194 SG CYS A 78 3.861 -12.167 -0.741 1.00 42.35 S ATOM 0 H CYS A 78 7.678 -11.673 -2.402 1.00 61.25 H new ATOM 0 HA CYS A 78 5.813 -13.723 -2.058 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.093 -11.334 -0.989 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.062 -10.808 -2.305 1.00 33.40 H new ATOM 0 HG CYS A 78 3.153 -12.998 -1.447 1.00 42.35 H new ATOM 1200 N ARG A 79 5.508 -12.056 -4.861 1.00 42.12 N ATOM 1201 CA ARG A 79 4.834 -12.039 -6.154 1.00 32.51 C ATOM 1202 C ARG A 79 5.029 -13.364 -6.886 1.00 62.11 C ATOM 1203 O ARG A 79 4.098 -13.889 -7.498 1.00 54.33 O ATOM 1204 CB ARG A 79 5.360 -10.888 -7.012 1.00 34.14 C ATOM 1205 CG ARG A 79 4.423 -10.491 -8.142 1.00 33.33 C ATOM 1206 CD ARG A 79 5.190 -9.967 -9.345 1.00 43.34 C ATOM 1207 NE ARG A 79 4.302 -9.613 -10.448 1.00 64.15 N ATOM 1208 CZ ARG A 79 3.488 -8.563 -10.429 1.00 42.12 C ATOM 1209 NH1 ARG A 79 3.451 -7.769 -9.367 1.00 41.13 N ATOM 1210 NH2 ARG A 79 2.709 -8.306 -11.472 1.00 72.00 N ATOM 0 H ARG A 79 6.298 -11.415 -4.789 1.00 42.12 H new ATOM 0 HA ARG A 79 3.768 -11.894 -5.978 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.534 -10.021 -6.374 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.324 -11.172 -7.434 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.824 -11.352 -8.438 1.00 33.33 H new ATOM 0 HG3 ARG A 79 3.730 -9.727 -7.790 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.770 -9.092 -9.052 1.00 43.34 H new ATOM 0 HD3 ARG A 79 5.900 -10.723 -9.680 1.00 43.34 H new ATOM 0 HE ARG A 79 4.307 -10.204 -11.279 1.00 64.15 H new ATOM 0 HH11 ARG A 79 4.048 -7.964 -8.563 1.00 41.13 H new ATOM 0 HH12 ARG A 79 2.826 -6.963 -9.354 1.00 41.13 H new ATOM 0 HH21 ARG A 79 2.734 -8.915 -12.290 1.00 72.00 H new ATOM 0 HH22 ARG A 79 2.085 -7.500 -11.456 1.00 72.00 H new ATOM 1224 N TYR A 80 6.243 -13.898 -6.820 1.00 65.34 N ATOM 1225 CA TYR A 80 6.562 -15.158 -7.478 1.00 50.23 C ATOM 1226 C TYR A 80 5.843 -16.322 -6.803 1.00 33.42 C ATOM 1227 O TYR A 80 5.356 -17.237 -7.469 1.00 3.40 O ATOM 1228 CB TYR A 80 8.072 -15.400 -7.462 1.00 55.12 C ATOM 1229 CG TYR A 80 8.471 -16.771 -7.957 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.503 -17.860 -7.093 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.818 -16.980 -9.286 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.868 -19.115 -7.540 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.182 -18.232 -9.742 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.206 -19.297 -8.865 1.00 53.44 C ATOM 1235 OH TYR A 80 9.570 -20.544 -9.315 1.00 12.11 O ATOM 0 H TYR A 80 7.023 -13.477 -6.316 1.00 65.34 H new ATOM 0 HA TYR A 80 6.222 -15.094 -8.512 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.559 -14.645 -8.079 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.442 -15.268 -6.445 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.238 -17.722 -6.055 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.803 -16.148 -9.975 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.889 -19.950 -6.855 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.446 -18.377 -10.779 1.00 4.04 H new ATOM 0 HH TYR A 80 10.530 -20.554 -9.510 1.00 12.11 H new ATOM 1245 N ILE A 81 5.780 -16.280 -5.475 1.00 75.45 N ATOM 1246 CA ILE A 81 5.119 -17.330 -4.710 1.00 44.21 C ATOM 1247 C ILE A 81 3.602 -17.221 -4.823 1.00 45.44 C ATOM 1248 O ILE A 81 2.900 -18.231 -4.860 1.00 63.42 O ATOM 1249 CB ILE A 81 5.517 -17.275 -3.223 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.033 -17.416 -3.072 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.798 -18.365 -2.441 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.507 -17.348 -1.636 1.00 20.45 C ATOM 0 H ILE A 81 6.178 -15.531 -4.908 1.00 75.45 H new ATOM 0 HA ILE A 81 5.444 -18.281 -5.131 1.00 44.21 H new ATOM 0 HB ILE A 81 5.219 -16.308 -2.819 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.346 -18.366 -3.505 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.522 -16.628 -3.645 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.090 -18.313 -1.392 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.721 -18.223 -2.525 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.068 -19.341 -2.845 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.591 -17.455 -1.605 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.225 -16.387 -1.205 1.00 20.45 H new ATOM 0 HD13 ILE A 81 7.047 -18.152 -1.062 1.00 20.45 H new ATOM 1264 N ALA A 82 3.106 -15.990 -4.879 1.00 24.44 N ATOM 1265 CA ALA A 82 1.672 -15.750 -4.993 1.00 74.32 C ATOM 1266 C ALA A 82 1.142 -16.218 -6.344 1.00 1.20 C ATOM 1267 O ALA A 82 0.132 -16.918 -6.417 1.00 72.43 O ATOM 1268 CB ALA A 82 1.367 -14.274 -4.788 1.00 50.42 C ATOM 0 H ALA A 82 3.675 -15.144 -4.847 1.00 24.44 H new ATOM 0 HA ALA A 82 1.170 -16.326 -4.216 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.293 -14.109 -4.876 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.702 -13.968 -3.797 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.887 -13.686 -5.544 1.00 50.42 H new ATOM 1274 N SER A 83 1.830 -15.827 -7.413 1.00 34.12 N ATOM 1275 CA SER A 83 1.426 -16.203 -8.762 1.00 43.14 C ATOM 1276 C SER A 83 1.283 -17.718 -8.884 1.00 54.13 C ATOM 1277 O SER A 83 0.523 -18.217 -9.714 1.00 22.31 O ATOM 1278 CB SER A 83 2.444 -15.692 -9.783 1.00 1.43 C ATOM 1279 OG SER A 83 2.021 -14.465 -10.353 1.00 10.43 O ATOM 0 H SER A 83 2.670 -15.250 -7.370 1.00 34.12 H new ATOM 0 HA SER A 83 0.457 -15.746 -8.965 1.00 43.14 H new ATOM 0 HB2 SER A 83 3.412 -15.558 -9.301 1.00 1.43 H new ATOM 0 HB3 SER A 83 2.580 -16.435 -10.569 1.00 1.43 H new ATOM 0 HG SER A 83 2.689 -14.158 -11.001 1.00 10.43 H new ATOM 1285 N LYS A 84 2.019 -18.444 -8.049 1.00 42.25 N ATOM 1286 CA LYS A 84 1.975 -19.902 -8.060 1.00 0.24 C ATOM 1287 C LYS A 84 0.769 -20.416 -7.282 1.00 65.15 C ATOM 1288 O LYS A 84 0.122 -21.382 -7.687 1.00 0.04 O ATOM 1289 CB LYS A 84 3.262 -20.476 -7.464 1.00 70.24 C ATOM 1290 CG LYS A 84 4.520 -20.030 -8.190 1.00 52.41 C ATOM 1291 CD LYS A 84 4.861 -20.965 -9.339 1.00 32.14 C ATOM 1292 CE LYS A 84 6.237 -20.663 -9.913 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.439 -21.313 -11.238 1.00 51.04 N ATOM 0 H LYS A 84 2.653 -18.047 -7.356 1.00 42.25 H new ATOM 0 HA LYS A 84 1.883 -20.230 -9.096 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.332 -20.179 -6.418 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.208 -21.564 -7.484 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.382 -19.018 -8.571 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.353 -19.995 -7.488 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.829 -21.998 -8.991 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.110 -20.869 -10.123 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.360 -19.585 -10.015 1.00 24.30 H new ATOM 0 HE3 LYS A 84 7.004 -21.007 -9.219 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.388 -21.084 -11.596 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.347 -22.344 -11.137 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 5.723 -20.966 -11.908 1.00 51.04 H new