USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 810 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 18 MET CE :methyl -140:sc= -1.08 (180deg=-2.03!) USER MOD Set 1.2: A 21 TYR OH : rot 30:sc= 0 USER MOD Set 1.3: A 29 THR OG1 : rot 180:sc= 0.809 USER MOD Set 1.4: A 33 HIS : no HD1:sc= 0.553 K(o=0.43,f=-6.9!) USER MOD Set 1.5: A 81 THR OG1 : rot 120:sc= 0.148 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.128 USER MOD Single : A 11 HIS : no HD1:sc= -0.646 X(o=-0.65,f=-0.74) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 64:sc= 0.43 USER MOD Single : A 22 SER OG : rot -26:sc= 0.235 USER MOD Single : A 32 HIS : no HE2:sc= -0.266 K(o=-0.27,f=-1.4) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 36 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 37 MET CE :methyl -140:sc= -0.185 (180deg=-0.412) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -122:sc= 0.946 (180deg=-0.128) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -50:sc= -0.187 USER MOD Single : A 48 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.23) USER MOD Single : A 50 HIS : no HD1:sc= -0.0899 X(o=-0.09,f=-0.1) USER MOD Single : A 53 THR OG1 : rot -66:sc= 0.21 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -125:sc= -2.04 (180deg=-5.31!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 152:sc= 0.118 USER MOD Single : A 69 CYS SG : rot -48:sc= -0.212 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0939 F(o=-1.7!,f=-0.094) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.8 K(o=-2.8,f=-6.6!) USER MOD Single : A 78 ASN : amide:sc= 1.35 K(o=1.4,f=-0.8) USER MOD Single : A 80 SER OG : rot 86:sc= 1.25 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -164:sc= -0.0516 (180deg=-0.417) USER MOD Single : A 97 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.63) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 15.546 0.130 2.895 1.00 44.21 N ATOM 86 CA PHE A 7 15.440 -0.909 1.897 1.00 43.12 C ATOM 87 C PHE A 7 15.582 -0.307 0.506 1.00 33.02 C ATOM 88 O PHE A 7 15.681 0.914 0.368 1.00 40.33 O ATOM 89 CB PHE A 7 14.099 -1.616 2.047 1.00 41.24 C ATOM 90 CG PHE A 7 14.060 -2.608 3.177 1.00 30.43 C ATOM 91 CD1 PHE A 7 13.688 -2.213 4.451 1.00 64.30 C ATOM 92 CD2 PHE A 7 14.395 -3.935 2.965 1.00 31.12 C ATOM 93 CE1 PHE A 7 13.654 -3.123 5.491 1.00 43.42 C ATOM 94 CE2 PHE A 7 14.362 -4.849 4.000 1.00 63.44 C ATOM 95 CZ PHE A 7 13.990 -4.442 5.265 1.00 75.21 C ATOM 0 HA PHE A 7 16.239 -1.637 2.036 1.00 43.12 H new ATOM 0 HB2 PHE A 7 13.321 -0.869 2.204 1.00 41.24 H new ATOM 0 HB3 PHE A 7 13.864 -2.131 1.115 1.00 41.24 H new ATOM 0 HD1 PHE A 7 13.421 -1.183 4.634 1.00 64.30 H new ATOM 0 HD2 PHE A 7 14.686 -4.260 1.977 1.00 31.12 H new ATOM 0 HE1 PHE A 7 13.364 -2.801 6.481 1.00 43.42 H new ATOM 0 HE2 PHE A 7 14.627 -5.880 3.820 1.00 63.44 H new ATOM 0 HZ PHE A 7 13.962 -5.154 6.076 1.00 75.21 H new ATOM 105 N LYS A 8 15.622 -1.154 -0.518 1.00 31.35 N ATOM 106 CA LYS A 8 15.720 -0.690 -1.891 1.00 64.00 C ATOM 107 C LYS A 8 14.543 0.217 -2.240 1.00 61.50 C ATOM 108 O LYS A 8 14.714 1.269 -2.861 1.00 65.42 O ATOM 109 CB LYS A 8 15.758 -1.885 -2.846 1.00 31.02 C ATOM 110 CG LYS A 8 15.975 -1.492 -4.294 1.00 62.32 C ATOM 111 CD LYS A 8 17.338 -0.856 -4.487 1.00 34.11 C ATOM 112 CE LYS A 8 18.456 -1.885 -4.401 1.00 22.55 C ATOM 113 NZ LYS A 8 19.795 -1.275 -4.628 1.00 61.24 N ATOM 0 H LYS A 8 15.588 -2.169 -0.418 1.00 31.35 H new ATOM 0 HA LYS A 8 16.641 -0.117 -1.996 1.00 64.00 H new ATOM 0 HB2 LYS A 8 16.555 -2.562 -2.538 1.00 31.02 H new ATOM 0 HB3 LYS A 8 14.821 -2.437 -2.763 1.00 31.02 H new ATOM 0 HG2 LYS A 8 15.887 -2.373 -4.930 1.00 62.32 H new ATOM 0 HG3 LYS A 8 15.197 -0.795 -4.606 1.00 62.32 H new ATOM 0 HD2 LYS A 8 17.374 -0.360 -5.457 1.00 34.11 H new ATOM 0 HD3 LYS A 8 17.492 -0.087 -3.730 1.00 34.11 H new ATOM 0 HE2 LYS A 8 18.436 -2.361 -3.421 1.00 22.55 H new ATOM 0 HE3 LYS A 8 18.285 -2.669 -5.139 1.00 22.55 H new ATOM 0 HZ1 LYS A 8 20.527 -2.010 -4.561 1.00 61.24 H new ATOM 0 HZ2 LYS A 8 19.824 -0.843 -5.574 1.00 61.24 H new ATOM 0 HZ3 LYS A 8 19.970 -0.545 -3.908 1.00 61.24 H new ATOM 127 N SER A 9 13.352 -0.204 -1.843 1.00 33.53 N ATOM 128 CA SER A 9 12.140 0.556 -2.110 1.00 15.42 C ATOM 129 C SER A 9 11.054 0.203 -1.099 1.00 22.43 C ATOM 130 O SER A 9 11.271 -0.615 -0.202 1.00 54.33 O ATOM 131 CB SER A 9 11.636 0.274 -3.527 1.00 74.44 C ATOM 132 OG SER A 9 12.611 0.602 -4.500 1.00 52.21 O ATOM 0 H SER A 9 13.198 -1.073 -1.332 1.00 33.53 H new ATOM 0 HA SER A 9 12.376 1.616 -2.020 1.00 15.42 H new ATOM 0 HB2 SER A 9 11.371 -0.779 -3.617 1.00 74.44 H new ATOM 0 HB3 SER A 9 10.728 0.848 -3.712 1.00 74.44 H new ATOM 0 HG SER A 9 12.259 0.409 -5.394 1.00 52.21 H new ATOM 138 N PHE A 10 9.886 0.817 -1.264 1.00 23.24 N ATOM 139 CA PHE A 10 8.747 0.572 -0.388 1.00 45.02 C ATOM 140 C PHE A 10 8.380 -0.908 -0.349 1.00 53.13 C ATOM 141 O PHE A 10 8.094 -1.451 0.715 1.00 52.43 O ATOM 142 CB PHE A 10 7.531 1.404 -0.835 1.00 41.34 C ATOM 143 CG PHE A 10 7.160 1.243 -2.288 1.00 52.12 C ATOM 144 CD1 PHE A 10 7.801 1.987 -3.269 1.00 43.33 C ATOM 145 CD2 PHE A 10 6.170 0.350 -2.673 1.00 71.32 C ATOM 146 CE1 PHE A 10 7.463 1.842 -4.601 1.00 61.35 C ATOM 147 CE2 PHE A 10 5.830 0.202 -4.005 1.00 74.14 C ATOM 148 CZ PHE A 10 6.477 0.949 -4.970 1.00 41.22 C ATOM 0 H PHE A 10 9.704 1.494 -2.005 1.00 23.24 H new ATOM 0 HA PHE A 10 9.036 0.876 0.618 1.00 45.02 H new ATOM 0 HB2 PHE A 10 6.673 1.128 -0.222 1.00 41.34 H new ATOM 0 HB3 PHE A 10 7.736 2.457 -0.640 1.00 41.34 H new ATOM 0 HD1 PHE A 10 8.573 2.688 -2.988 1.00 43.33 H new ATOM 0 HD2 PHE A 10 5.659 -0.236 -1.923 1.00 71.32 H new ATOM 0 HE1 PHE A 10 7.970 2.427 -5.354 1.00 61.35 H new ATOM 0 HE2 PHE A 10 5.059 -0.498 -4.291 1.00 74.14 H new ATOM 0 HZ PHE A 10 6.212 0.835 -6.011 1.00 41.22 H new ATOM 158 N HIS A 11 8.418 -1.560 -1.511 1.00 15.14 N ATOM 159 CA HIS A 11 7.984 -2.953 -1.624 1.00 71.50 C ATOM 160 C HIS A 11 8.852 -3.882 -0.778 1.00 62.41 C ATOM 161 O HIS A 11 8.408 -4.949 -0.366 1.00 72.05 O ATOM 162 CB HIS A 11 7.961 -3.409 -3.099 1.00 40.50 C ATOM 163 CG HIS A 11 9.302 -3.476 -3.782 1.00 11.10 C ATOM 164 ND1 HIS A 11 9.728 -2.544 -4.708 1.00 14.22 N ATOM 165 CD2 HIS A 11 10.297 -4.389 -3.691 1.00 2.00 C ATOM 166 CE1 HIS A 11 10.928 -2.884 -5.148 1.00 35.44 C ATOM 167 NE2 HIS A 11 11.296 -3.997 -4.548 1.00 61.21 N ATOM 0 H HIS A 11 8.744 -1.148 -2.385 1.00 15.14 H new ATOM 0 HA HIS A 11 6.967 -3.011 -1.236 1.00 71.50 H new ATOM 0 HB2 HIS A 11 7.499 -4.395 -3.148 1.00 40.50 H new ATOM 0 HB3 HIS A 11 7.321 -2.729 -3.661 1.00 40.50 H new ATOM 0 HD2 HIS A 11 10.304 -5.265 -3.060 1.00 2.00 H new ATOM 0 HE1 HIS A 11 11.509 -2.340 -5.878 1.00 35.44 H new ATOM 0 HE2 HIS A 11 12.178 -4.487 -4.696 1.00 61.21 H new ATOM 176 N ASP A 12 10.081 -3.461 -0.506 1.00 3.42 N ATOM 177 CA ASP A 12 11.002 -4.258 0.288 1.00 40.13 C ATOM 178 C ASP A 12 10.642 -4.170 1.761 1.00 14.24 C ATOM 179 O ASP A 12 10.591 -5.182 2.462 1.00 72.51 O ATOM 180 CB ASP A 12 12.436 -3.773 0.082 1.00 21.43 C ATOM 181 CG ASP A 12 12.903 -3.885 -1.349 1.00 21.25 C ATOM 182 OD1 ASP A 12 12.646 -2.947 -2.128 1.00 52.24 O ATOM 183 OD2 ASP A 12 13.539 -4.904 -1.697 1.00 35.12 O ATOM 0 H ASP A 12 10.462 -2.570 -0.825 1.00 3.42 H new ATOM 0 HA ASP A 12 10.925 -5.296 -0.037 1.00 40.13 H new ATOM 0 HB2 ASP A 12 12.510 -2.733 0.401 1.00 21.43 H new ATOM 0 HB3 ASP A 12 13.103 -4.351 0.721 1.00 21.43 H new ATOM 188 N PHE A 13 10.384 -2.953 2.224 1.00 64.41 N ATOM 189 CA PHE A 13 10.037 -2.730 3.618 1.00 61.23 C ATOM 190 C PHE A 13 8.671 -3.334 3.923 1.00 21.53 C ATOM 191 O PHE A 13 8.489 -3.991 4.949 1.00 4.41 O ATOM 192 CB PHE A 13 10.043 -1.233 3.942 1.00 44.21 C ATOM 193 CG PHE A 13 9.823 -0.929 5.400 1.00 20.32 C ATOM 194 CD1 PHE A 13 10.884 -0.947 6.290 1.00 51.53 C ATOM 195 CD2 PHE A 13 8.557 -0.627 5.878 1.00 73.40 C ATOM 196 CE1 PHE A 13 10.688 -0.671 7.629 1.00 62.12 C ATOM 197 CE2 PHE A 13 8.356 -0.349 7.217 1.00 32.22 C ATOM 198 CZ PHE A 13 9.423 -0.372 8.094 1.00 74.43 C ATOM 0 H PHE A 13 10.409 -2.108 1.654 1.00 64.41 H new ATOM 0 HA PHE A 13 10.784 -3.219 4.244 1.00 61.23 H new ATOM 0 HB2 PHE A 13 10.997 -0.807 3.631 1.00 44.21 H new ATOM 0 HB3 PHE A 13 9.267 -0.740 3.356 1.00 44.21 H new ATOM 0 HD1 PHE A 13 11.876 -1.180 5.933 1.00 51.53 H new ATOM 0 HD2 PHE A 13 7.719 -0.609 5.197 1.00 73.40 H new ATOM 0 HE1 PHE A 13 11.524 -0.689 8.312 1.00 62.12 H new ATOM 0 HE2 PHE A 13 7.365 -0.114 7.577 1.00 32.22 H new ATOM 0 HZ PHE A 13 9.268 -0.157 9.141 1.00 74.43 H new ATOM 208 N VAL A 14 7.719 -3.123 3.015 1.00 55.14 N ATOM 209 CA VAL A 14 6.374 -3.663 3.180 1.00 1.25 C ATOM 210 C VAL A 14 6.412 -5.184 3.237 1.00 33.24 C ATOM 211 O VAL A 14 5.707 -5.795 4.034 1.00 41.01 O ATOM 212 CB VAL A 14 5.421 -3.218 2.045 1.00 65.33 C ATOM 213 CG1 VAL A 14 4.041 -3.844 2.215 1.00 13.41 C ATOM 214 CG2 VAL A 14 5.313 -1.704 1.999 1.00 61.42 C ATOM 0 H VAL A 14 7.855 -2.583 2.160 1.00 55.14 H new ATOM 0 HA VAL A 14 5.989 -3.267 4.120 1.00 1.25 H new ATOM 0 HB VAL A 14 5.839 -3.565 1.100 1.00 65.33 H new ATOM 0 HG11 VAL A 14 3.390 -3.515 1.405 1.00 13.41 H new ATOM 0 HG12 VAL A 14 4.129 -4.930 2.192 1.00 13.41 H new ATOM 0 HG13 VAL A 14 3.616 -3.534 3.170 1.00 13.41 H new ATOM 0 HG21 VAL A 14 4.638 -1.412 1.194 1.00 61.42 H new ATOM 0 HG22 VAL A 14 4.924 -1.338 2.949 1.00 61.42 H new ATOM 0 HG23 VAL A 14 6.299 -1.274 1.820 1.00 61.42 H new ATOM 224 N ALA A 15 7.256 -5.788 2.406 1.00 43.34 N ATOM 225 CA ALA A 15 7.392 -7.238 2.383 1.00 23.20 C ATOM 226 C ALA A 15 7.865 -7.759 3.733 1.00 33.04 C ATOM 227 O ALA A 15 7.338 -8.745 4.245 1.00 74.01 O ATOM 228 CB ALA A 15 8.349 -7.670 1.284 1.00 22.54 C ATOM 0 H ALA A 15 7.854 -5.296 1.742 1.00 43.34 H new ATOM 0 HA ALA A 15 6.411 -7.665 2.175 1.00 23.20 H new ATOM 0 HB1 ALA A 15 8.436 -8.756 1.284 1.00 22.54 H new ATOM 0 HB2 ALA A 15 7.969 -7.337 0.318 1.00 22.54 H new ATOM 0 HB3 ALA A 15 9.329 -7.227 1.460 1.00 22.54 H new ATOM 234 N SER A 16 8.842 -7.077 4.316 1.00 52.44 N ATOM 235 CA SER A 16 9.399 -7.486 5.597 1.00 54.11 C ATOM 236 C SER A 16 8.397 -7.233 6.728 1.00 2.30 C ATOM 237 O SER A 16 8.268 -8.038 7.655 1.00 4.32 O ATOM 238 CB SER A 16 10.710 -6.737 5.860 1.00 41.23 C ATOM 239 OG SER A 16 11.467 -7.358 6.886 1.00 34.12 O ATOM 0 H SER A 16 9.265 -6.237 3.921 1.00 52.44 H new ATOM 0 HA SER A 16 9.606 -8.556 5.563 1.00 54.11 H new ATOM 0 HB2 SER A 16 11.299 -6.700 4.944 1.00 41.23 H new ATOM 0 HB3 SER A 16 10.492 -5.707 6.141 1.00 41.23 H new ATOM 0 HG SER A 16 12.297 -6.857 7.029 1.00 34.12 H new ATOM 245 N TYR A 17 7.674 -6.122 6.638 1.00 55.32 N ATOM 246 CA TYR A 17 6.681 -5.776 7.646 1.00 44.13 C ATOM 247 C TYR A 17 5.493 -6.732 7.558 1.00 43.10 C ATOM 248 O TYR A 17 4.983 -7.207 8.574 1.00 31.10 O ATOM 249 CB TYR A 17 6.209 -4.330 7.460 1.00 13.42 C ATOM 250 CG TYR A 17 5.651 -3.706 8.723 1.00 3.04 C ATOM 251 CD1 TYR A 17 4.403 -4.063 9.217 1.00 31.24 C ATOM 252 CD2 TYR A 17 6.389 -2.762 9.429 1.00 21.03 C ATOM 253 CE1 TYR A 17 3.908 -3.502 10.378 1.00 25.14 C ATOM 254 CE2 TYR A 17 5.897 -2.193 10.587 1.00 52.22 C ATOM 255 CZ TYR A 17 4.660 -2.567 11.060 1.00 13.35 C ATOM 256 OH TYR A 17 4.174 -2.013 12.223 1.00 72.51 O ATOM 0 H TYR A 17 7.757 -5.447 5.878 1.00 55.32 H new ATOM 0 HA TYR A 17 7.138 -5.867 8.631 1.00 44.13 H new ATOM 0 HB2 TYR A 17 7.045 -3.727 7.106 1.00 13.42 H new ATOM 0 HB3 TYR A 17 5.445 -4.303 6.683 1.00 13.42 H new ATOM 0 HD1 TYR A 17 3.810 -4.791 8.684 1.00 31.24 H new ATOM 0 HD2 TYR A 17 7.363 -2.469 9.066 1.00 21.03 H new ATOM 0 HE1 TYR A 17 2.937 -3.794 10.750 1.00 25.14 H new ATOM 0 HE2 TYR A 17 6.481 -1.457 11.120 1.00 52.22 H new ATOM 0 HH TYR A 17 4.826 -1.374 12.579 1.00 72.51 H new ATOM 266 N MET A 18 5.070 -7.022 6.335 1.00 63.40 N ATOM 267 CA MET A 18 3.958 -7.934 6.102 1.00 30.51 C ATOM 268 C MET A 18 4.347 -9.343 6.509 1.00 60.50 C ATOM 269 O MET A 18 3.526 -10.097 7.024 1.00 54.32 O ATOM 270 CB MET A 18 3.536 -7.893 4.634 1.00 15.33 C ATOM 271 CG MET A 18 2.260 -8.664 4.335 1.00 22.01 C ATOM 272 SD MET A 18 1.606 -8.295 2.697 1.00 4.03 S ATOM 273 CE MET A 18 1.452 -6.512 2.803 1.00 3.42 C ATOM 0 H MET A 18 5.482 -6.637 5.485 1.00 63.40 H new ATOM 0 HA MET A 18 3.110 -7.619 6.710 1.00 30.51 H new ATOM 0 HB2 MET A 18 3.399 -6.854 4.335 1.00 15.33 H new ATOM 0 HB3 MET A 18 4.344 -8.296 4.023 1.00 15.33 H new ATOM 0 HG2 MET A 18 2.458 -9.733 4.413 1.00 22.01 H new ATOM 0 HG3 MET A 18 1.508 -8.423 5.087 1.00 22.01 H new ATOM 0 HE1 MET A 18 0.527 -6.197 2.319 1.00 3.42 H new ATOM 0 HE2 MET A 18 1.435 -6.210 3.850 1.00 3.42 H new ATOM 0 HE3 MET A 18 2.300 -6.043 2.304 1.00 3.42 H new ATOM 283 N LYS A 19 5.613 -9.675 6.289 1.00 34.32 N ATOM 284 CA LYS A 19 6.182 -10.942 6.733 1.00 1.44 C ATOM 285 C LYS A 19 5.991 -11.116 8.238 1.00 24.40 C ATOM 286 O LYS A 19 5.781 -12.224 8.727 1.00 12.11 O ATOM 287 CB LYS A 19 7.672 -10.968 6.393 1.00 34.34 C ATOM 288 CG LYS A 19 8.410 -12.217 6.844 1.00 51.30 C ATOM 289 CD LYS A 19 9.912 -12.007 6.755 1.00 30.15 C ATOM 290 CE LYS A 19 10.688 -13.252 7.142 1.00 62.13 C ATOM 291 NZ LYS A 19 12.147 -12.980 7.230 1.00 40.14 N ATOM 0 H LYS A 19 6.275 -9.074 5.798 1.00 34.32 H new ATOM 0 HA LYS A 19 5.672 -11.760 6.224 1.00 1.44 H new ATOM 0 HB2 LYS A 19 7.785 -10.867 5.314 1.00 34.34 H new ATOM 0 HB3 LYS A 19 8.148 -10.099 6.846 1.00 34.34 H new ATOM 0 HG2 LYS A 19 8.131 -12.462 7.869 1.00 51.30 H new ATOM 0 HG3 LYS A 19 8.118 -13.064 6.223 1.00 51.30 H new ATOM 0 HD2 LYS A 19 10.177 -11.717 5.738 1.00 30.15 H new ATOM 0 HD3 LYS A 19 10.201 -11.183 7.407 1.00 30.15 H new ATOM 0 HE2 LYS A 19 10.328 -13.623 8.101 1.00 62.13 H new ATOM 0 HE3 LYS A 19 10.507 -14.037 6.408 1.00 62.13 H new ATOM 0 HZ1 LYS A 19 12.647 -13.852 7.496 1.00 40.14 H new ATOM 0 HZ2 LYS A 19 12.495 -12.649 6.307 1.00 40.14 H new ATOM 0 HZ3 LYS A 19 12.321 -12.248 7.948 1.00 40.14 H new ATOM 305 N THR A 20 6.043 -10.002 8.956 1.00 55.14 N ATOM 306 CA THR A 20 5.927 -10.012 10.402 1.00 72.31 C ATOM 307 C THR A 20 4.512 -10.390 10.852 1.00 33.22 C ATOM 308 O THR A 20 4.338 -11.313 11.645 1.00 42.42 O ATOM 309 CB THR A 20 6.312 -8.640 10.991 1.00 41.31 C ATOM 310 OG1 THR A 20 7.637 -8.280 10.569 1.00 52.23 O ATOM 311 CG2 THR A 20 6.248 -8.656 12.510 1.00 63.33 C ATOM 0 H THR A 20 6.166 -9.073 8.553 1.00 55.14 H new ATOM 0 HA THR A 20 6.618 -10.768 10.775 1.00 72.31 H new ATOM 0 HB THR A 20 5.597 -7.903 10.624 1.00 41.31 H new ATOM 0 HG1 THR A 20 7.651 -8.169 9.595 1.00 52.23 H new ATOM 0 HG21 THR A 20 6.525 -7.675 12.896 1.00 63.33 H new ATOM 0 HG22 THR A 20 5.234 -8.899 12.829 1.00 63.33 H new ATOM 0 HG23 THR A 20 6.939 -9.406 12.895 1.00 63.33 H new ATOM 319 N TYR A 21 3.499 -9.697 10.336 1.00 44.44 N ATOM 320 CA TYR A 21 2.134 -9.938 10.775 1.00 65.44 C ATOM 321 C TYR A 21 1.452 -11.014 9.926 1.00 12.34 C ATOM 322 O TYR A 21 0.275 -11.322 10.129 1.00 5.23 O ATOM 323 CB TYR A 21 1.326 -8.636 10.756 1.00 4.24 C ATOM 324 CG TYR A 21 0.831 -8.195 9.392 1.00 22.25 C ATOM 325 CD1 TYR A 21 -0.390 -8.642 8.901 1.00 23.53 C ATOM 326 CD2 TYR A 21 1.569 -7.321 8.606 1.00 54.52 C ATOM 327 CE1 TYR A 21 -0.857 -8.236 7.671 1.00 12.31 C ATOM 328 CE2 TYR A 21 1.106 -6.912 7.371 1.00 64.31 C ATOM 329 CZ TYR A 21 -0.108 -7.374 6.908 1.00 13.54 C ATOM 330 OH TYR A 21 -0.579 -6.971 5.681 1.00 33.21 O ATOM 0 H TYR A 21 3.599 -8.974 9.623 1.00 44.44 H new ATOM 0 HA TYR A 21 2.174 -10.307 11.800 1.00 65.44 H new ATOM 0 HB2 TYR A 21 0.466 -8.753 11.415 1.00 4.24 H new ATOM 0 HB3 TYR A 21 1.942 -7.840 11.174 1.00 4.24 H new ATOM 0 HD1 TYR A 21 -0.984 -9.321 9.495 1.00 23.53 H new ATOM 0 HD2 TYR A 21 2.519 -6.955 8.966 1.00 54.52 H new ATOM 0 HE1 TYR A 21 -1.809 -8.594 7.308 1.00 12.31 H new ATOM 0 HE2 TYR A 21 1.692 -6.233 6.770 1.00 64.31 H new ATOM 0 HH TYR A 21 -1.559 -6.961 5.694 1.00 33.21 H new ATOM 340 N SER A 22 2.201 -11.601 8.998 1.00 41.41 N ATOM 341 CA SER A 22 1.679 -12.657 8.126 1.00 22.42 C ATOM 342 C SER A 22 1.253 -13.873 8.943 1.00 64.23 C ATOM 343 O SER A 22 0.611 -14.788 8.431 1.00 2.13 O ATOM 344 CB SER A 22 2.734 -13.067 7.088 1.00 24.01 C ATOM 345 OG SER A 22 2.225 -14.043 6.190 1.00 30.13 O ATOM 0 H SER A 22 3.178 -11.364 8.827 1.00 41.41 H new ATOM 0 HA SER A 22 0.805 -12.264 7.606 1.00 22.42 H new ATOM 0 HB2 SER A 22 3.057 -12.189 6.529 1.00 24.01 H new ATOM 0 HB3 SER A 22 3.613 -13.462 7.597 1.00 24.01 H new ATOM 0 HG SER A 22 1.513 -14.552 6.630 1.00 30.13 H new ATOM 351 N ARG A 23 1.618 -13.866 10.213 1.00 22.32 N ATOM 352 CA ARG A 23 1.257 -14.927 11.136 1.00 60.20 C ATOM 353 C ARG A 23 -0.256 -14.949 11.357 1.00 52.25 C ATOM 354 O ARG A 23 -0.848 -16.003 11.593 1.00 34.25 O ATOM 355 CB ARG A 23 1.982 -14.703 12.461 1.00 10.34 C ATOM 356 CG ARG A 23 3.465 -14.401 12.284 1.00 14.04 C ATOM 357 CD ARG A 23 4.117 -13.973 13.587 1.00 74.03 C ATOM 358 NE ARG A 23 4.341 -15.100 14.486 1.00 65.54 N ATOM 359 CZ ARG A 23 4.728 -14.971 15.751 1.00 45.14 C ATOM 360 NH1 ARG A 23 4.820 -13.766 16.310 1.00 25.02 N ATOM 361 NH2 ARG A 23 5.002 -16.056 16.463 1.00 3.14 N ATOM 0 H ARG A 23 2.175 -13.122 10.634 1.00 22.32 H new ATOM 0 HA ARG A 23 1.553 -15.888 10.717 1.00 60.20 H new ATOM 0 HB2 ARG A 23 1.509 -13.877 12.992 1.00 10.34 H new ATOM 0 HB3 ARG A 23 1.869 -15.590 13.085 1.00 10.34 H new ATOM 0 HG2 ARG A 23 3.972 -15.286 11.898 1.00 14.04 H new ATOM 0 HG3 ARG A 23 3.589 -13.613 11.541 1.00 14.04 H new ATOM 0 HD2 ARG A 23 5.069 -13.486 13.373 1.00 74.03 H new ATOM 0 HD3 ARG A 23 3.486 -13.235 14.082 1.00 74.03 H new ATOM 0 HE ARG A 23 4.192 -16.041 14.123 1.00 65.54 H new ATOM 0 HH11 ARG A 23 4.593 -12.933 15.767 1.00 25.02 H new ATOM 0 HH12 ARG A 23 5.118 -13.676 17.281 1.00 25.02 H new ATOM 0 HH21 ARG A 23 4.915 -16.980 16.039 1.00 3.14 H new ATOM 0 HH22 ARG A 23 5.300 -15.967 17.434 1.00 3.14 H new ATOM 375 N ARG A 24 -0.877 -13.777 11.266 1.00 54.22 N ATOM 376 CA ARG A 24 -2.320 -13.657 11.450 1.00 70.41 C ATOM 377 C ARG A 24 -3.028 -13.514 10.104 1.00 11.13 C ATOM 378 O ARG A 24 -4.257 -13.576 10.031 1.00 33.11 O ATOM 379 CB ARG A 24 -2.665 -12.445 12.327 1.00 64.32 C ATOM 380 CG ARG A 24 -2.541 -11.112 11.598 1.00 73.53 C ATOM 381 CD ARG A 24 -3.111 -9.963 12.413 1.00 11.42 C ATOM 382 NE ARG A 24 -3.220 -8.738 11.621 1.00 65.15 N ATOM 383 CZ ARG A 24 -3.629 -7.561 12.103 1.00 23.13 C ATOM 384 NH1 ARG A 24 -4.015 -7.444 13.368 1.00 43.32 N ATOM 385 NH2 ARG A 24 -3.677 -6.502 11.307 1.00 54.33 N ATOM 0 H ARG A 24 -0.403 -12.896 11.066 1.00 54.22 H new ATOM 0 HA ARG A 24 -2.661 -14.566 11.945 1.00 70.41 H new ATOM 0 HB2 ARG A 24 -3.684 -12.554 12.698 1.00 64.32 H new ATOM 0 HB3 ARG A 24 -2.008 -12.437 13.197 1.00 64.32 H new ATOM 0 HG2 ARG A 24 -1.492 -10.915 11.378 1.00 73.53 H new ATOM 0 HG3 ARG A 24 -3.061 -11.172 10.642 1.00 73.53 H new ATOM 0 HD2 ARG A 24 -4.095 -10.239 12.793 1.00 11.42 H new ATOM 0 HD3 ARG A 24 -2.475 -9.781 13.279 1.00 11.42 H new ATOM 0 HE ARG A 24 -2.967 -8.786 10.634 1.00 65.15 H new ATOM 0 HH11 ARG A 24 -4.001 -8.258 13.983 1.00 43.32 H new ATOM 0 HH12 ARG A 24 -4.325 -6.540 13.725 1.00 43.32 H new ATOM 0 HH21 ARG A 24 -3.402 -6.587 10.328 1.00 54.33 H new ATOM 0 HH22 ARG A 24 -3.989 -5.603 11.673 1.00 54.33 H new ATOM 399 N LEU A 25 -2.252 -13.322 9.044 1.00 55.34 N ATOM 400 CA LEU A 25 -2.814 -13.042 7.733 1.00 23.44 C ATOM 401 C LEU A 25 -3.073 -14.336 6.987 1.00 45.22 C ATOM 402 O LEU A 25 -2.192 -15.191 6.887 1.00 63.34 O ATOM 403 CB LEU A 25 -1.872 -12.160 6.902 1.00 33.51 C ATOM 404 CG LEU A 25 -2.530 -11.422 5.740 1.00 45.41 C ATOM 405 CD1 LEU A 25 -3.553 -10.423 6.263 1.00 74.10 C ATOM 406 CD2 LEU A 25 -1.479 -10.720 4.895 1.00 60.02 C ATOM 0 H LEU A 25 -1.233 -13.356 9.069 1.00 55.34 H new ATOM 0 HA LEU A 25 -3.753 -12.508 7.882 1.00 23.44 H new ATOM 0 HB2 LEU A 25 -1.410 -11.426 7.563 1.00 33.51 H new ATOM 0 HB3 LEU A 25 -1.070 -12.784 6.508 1.00 33.51 H new ATOM 0 HG LEU A 25 -3.046 -12.148 5.111 1.00 45.41 H new ATOM 0 HD11 LEU A 25 -4.015 -9.903 5.424 1.00 74.10 H new ATOM 0 HD12 LEU A 25 -4.320 -10.951 6.830 1.00 74.10 H new ATOM 0 HD13 LEU A 25 -3.057 -9.699 6.910 1.00 74.10 H new ATOM 0 HD21 LEU A 25 -1.964 -10.198 4.070 1.00 60.02 H new ATOM 0 HD22 LEU A 25 -0.938 -10.002 5.511 1.00 60.02 H new ATOM 0 HD23 LEU A 25 -0.780 -11.456 4.498 1.00 60.02 H new ATOM 418 N GLU A 26 -4.288 -14.481 6.491 1.00 30.40 N ATOM 419 CA GLU A 26 -4.636 -15.597 5.640 1.00 71.24 C ATOM 420 C GLU A 26 -3.779 -15.564 4.380 1.00 4.13 C ATOM 421 O GLU A 26 -3.366 -14.495 3.921 1.00 43.52 O ATOM 422 CB GLU A 26 -6.115 -15.513 5.287 1.00 60.52 C ATOM 423 CG GLU A 26 -6.817 -16.853 5.197 1.00 52.13 C ATOM 424 CD GLU A 26 -6.487 -17.620 3.933 1.00 51.14 C ATOM 425 OE1 GLU A 26 -7.102 -17.341 2.882 1.00 53.12 O ATOM 426 OE2 GLU A 26 -5.604 -18.501 3.981 1.00 23.34 O ATOM 0 H GLU A 26 -5.055 -13.832 6.667 1.00 30.40 H new ATOM 0 HA GLU A 26 -4.450 -16.537 6.160 1.00 71.24 H new ATOM 0 HB2 GLU A 26 -6.620 -14.902 6.035 1.00 60.52 H new ATOM 0 HB3 GLU A 26 -6.219 -14.998 4.332 1.00 60.52 H new ATOM 0 HG2 GLU A 26 -6.543 -17.457 6.062 1.00 52.13 H new ATOM 0 HG3 GLU A 26 -7.894 -16.695 5.247 1.00 52.13 H new ATOM 433 N ILE A 27 -3.528 -16.730 3.824 1.00 25.25 N ATOM 434 CA ILE A 27 -2.665 -16.853 2.662 1.00 63.13 C ATOM 435 C ILE A 27 -3.308 -16.199 1.446 1.00 2.41 C ATOM 436 O ILE A 27 -2.616 -15.632 0.607 1.00 22.41 O ATOM 437 CB ILE A 27 -2.343 -18.337 2.365 1.00 5.01 C ATOM 438 CG1 ILE A 27 -1.515 -18.931 3.508 1.00 15.13 C ATOM 439 CG2 ILE A 27 -1.610 -18.492 1.037 1.00 1.43 C ATOM 440 CD1 ILE A 27 -0.174 -18.253 3.699 1.00 2.44 C ATOM 0 H ILE A 27 -3.911 -17.614 4.159 1.00 25.25 H new ATOM 0 HA ILE A 27 -1.730 -16.338 2.882 1.00 63.13 H new ATOM 0 HB ILE A 27 -3.285 -18.881 2.287 1.00 5.01 H new ATOM 0 HG12 ILE A 27 -2.085 -18.859 4.434 1.00 15.13 H new ATOM 0 HG13 ILE A 27 -1.353 -19.992 3.315 1.00 15.13 H new ATOM 0 HG21 ILE A 27 -1.399 -19.546 0.859 1.00 1.43 H new ATOM 0 HG22 ILE A 27 -2.233 -18.105 0.230 1.00 1.43 H new ATOM 0 HG23 ILE A 27 -0.674 -17.935 1.071 1.00 1.43 H new ATOM 0 HD11 ILE A 27 0.358 -18.725 4.525 1.00 2.44 H new ATOM 0 HD12 ILE A 27 0.415 -18.348 2.787 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -0.329 -17.198 3.923 1.00 2.44 H new ATOM 452 N GLY A 28 -4.635 -16.251 1.378 1.00 3.30 N ATOM 453 CA GLY A 28 -5.354 -15.687 0.247 1.00 72.31 C ATOM 454 C GLY A 28 -4.976 -14.246 -0.047 1.00 1.21 C ATOM 455 O GLY A 28 -4.599 -13.917 -1.174 1.00 31.21 O ATOM 0 H GLY A 28 -5.229 -16.676 2.090 1.00 3.30 H new ATOM 0 HA2 GLY A 28 -5.160 -16.294 -0.637 1.00 72.31 H new ATOM 0 HA3 GLY A 28 -6.425 -15.742 0.442 1.00 72.31 H new ATOM 459 N THR A 29 -5.068 -13.382 0.956 1.00 14.14 N ATOM 460 CA THR A 29 -4.727 -11.980 0.777 1.00 75.42 C ATOM 461 C THR A 29 -3.228 -11.807 0.527 1.00 11.02 C ATOM 462 O THR A 29 -2.834 -11.183 -0.465 1.00 3.24 O ATOM 463 CB THR A 29 -5.183 -11.121 1.981 1.00 13.15 C ATOM 464 OG1 THR A 29 -4.627 -9.799 1.897 1.00 51.03 O ATOM 465 CG2 THR A 29 -4.800 -11.761 3.305 1.00 43.04 C ATOM 0 H THR A 29 -5.375 -13.628 1.897 1.00 14.14 H new ATOM 0 HA THR A 29 -5.265 -11.627 -0.103 1.00 75.42 H new ATOM 0 HB THR A 29 -6.270 -11.056 1.940 1.00 13.15 H new ATOM 0 HG1 THR A 29 -4.926 -9.269 2.665 1.00 51.03 H new ATOM 0 HG21 THR A 29 -5.137 -11.128 4.126 1.00 43.04 H new ATOM 0 HG22 THR A 29 -5.271 -12.741 3.385 1.00 43.04 H new ATOM 0 HG23 THR A 29 -3.717 -11.874 3.355 1.00 43.04 H new ATOM 473 N PHE A 30 -2.403 -12.381 1.404 1.00 34.33 N ATOM 474 CA PHE A 30 -0.951 -12.313 1.270 1.00 41.10 C ATOM 475 C PHE A 30 -0.493 -12.715 -0.134 1.00 73.01 C ATOM 476 O PHE A 30 0.258 -11.984 -0.778 1.00 2.22 O ATOM 477 CB PHE A 30 -0.299 -13.231 2.312 1.00 72.14 C ATOM 478 CG PHE A 30 1.204 -13.173 2.330 1.00 71.44 C ATOM 479 CD1 PHE A 30 1.861 -12.114 2.935 1.00 14.13 C ATOM 480 CD2 PHE A 30 1.960 -14.179 1.744 1.00 1.13 C ATOM 481 CE1 PHE A 30 3.241 -12.056 2.955 1.00 14.12 C ATOM 482 CE2 PHE A 30 3.341 -14.126 1.763 1.00 50.33 C ATOM 483 CZ PHE A 30 3.982 -13.063 2.368 1.00 43.21 C ATOM 0 H PHE A 30 -2.722 -12.902 2.221 1.00 34.33 H new ATOM 0 HA PHE A 30 -0.643 -11.281 1.436 1.00 41.10 H new ATOM 0 HB2 PHE A 30 -0.674 -12.964 3.300 1.00 72.14 H new ATOM 0 HB3 PHE A 30 -0.610 -14.258 2.120 1.00 72.14 H new ATOM 0 HD1 PHE A 30 1.287 -11.324 3.397 1.00 14.13 H new ATOM 0 HD2 PHE A 30 1.464 -15.012 1.268 1.00 1.13 H new ATOM 0 HE1 PHE A 30 3.740 -11.224 3.429 1.00 14.12 H new ATOM 0 HE2 PHE A 30 3.918 -14.915 1.305 1.00 50.33 H new ATOM 0 HZ PHE A 30 5.061 -13.019 2.382 1.00 43.21 H new ATOM 493 N ARG A 31 -0.985 -13.855 -0.611 1.00 0.24 N ATOM 494 CA ARG A 31 -0.555 -14.444 -1.873 1.00 31.32 C ATOM 495 C ARG A 31 -0.843 -13.552 -3.085 1.00 13.51 C ATOM 496 O ARG A 31 -0.209 -13.698 -4.129 1.00 31.23 O ATOM 497 CB ARG A 31 -1.265 -15.782 -2.046 1.00 44.30 C ATOM 498 CG ARG A 31 -0.567 -16.748 -2.977 1.00 64.41 C ATOM 499 CD ARG A 31 -1.389 -18.010 -3.144 1.00 65.04 C ATOM 500 NE ARG A 31 -0.856 -19.142 -2.387 1.00 43.34 N ATOM 501 CZ ARG A 31 -1.489 -20.308 -2.257 1.00 24.30 C ATOM 502 NH1 ARG A 31 -2.670 -20.492 -2.836 1.00 3.12 N ATOM 503 NH2 ARG A 31 -0.937 -21.288 -1.550 1.00 71.11 N ATOM 0 H ARG A 31 -1.699 -14.400 -0.128 1.00 0.24 H new ATOM 0 HA ARG A 31 0.527 -14.568 -1.829 1.00 31.32 H new ATOM 0 HB2 ARG A 31 -1.370 -16.252 -1.068 1.00 44.30 H new ATOM 0 HB3 ARG A 31 -2.272 -15.599 -2.422 1.00 44.30 H new ATOM 0 HG2 ARG A 31 -0.410 -16.278 -3.948 1.00 64.41 H new ATOM 0 HG3 ARG A 31 0.417 -16.998 -2.581 1.00 64.41 H new ATOM 0 HD2 ARG A 31 -2.413 -17.815 -2.824 1.00 65.04 H new ATOM 0 HD3 ARG A 31 -1.430 -18.273 -4.201 1.00 65.04 H new ATOM 0 HE ARG A 31 0.051 -19.033 -1.933 1.00 43.34 H new ATOM 0 HH11 ARG A 31 -3.093 -19.741 -3.381 1.00 3.12 H new ATOM 0 HH12 ARG A 31 -3.154 -21.385 -2.736 1.00 3.12 H new ATOM 0 HH21 ARG A 31 -0.029 -21.148 -1.107 1.00 71.11 H new ATOM 0 HH22 ARG A 31 -1.421 -22.180 -1.450 1.00 71.11 H new ATOM 517 N HIS A 32 -1.790 -12.633 -2.953 1.00 44.23 N ATOM 518 CA HIS A 32 -2.191 -11.808 -4.088 1.00 53.42 C ATOM 519 C HIS A 32 -1.305 -10.576 -4.247 1.00 1.14 C ATOM 520 O HIS A 32 -0.596 -10.443 -5.243 1.00 2.31 O ATOM 521 CB HIS A 32 -3.661 -11.389 -3.975 1.00 62.33 C ATOM 522 CG HIS A 32 -4.624 -12.465 -4.382 1.00 32.15 C ATOM 523 ND1 HIS A 32 -5.605 -12.956 -3.552 1.00 15.20 N ATOM 524 CD2 HIS A 32 -4.759 -13.132 -5.552 1.00 11.12 C ATOM 525 CE1 HIS A 32 -6.298 -13.879 -4.191 1.00 63.44 C ATOM 526 NE2 HIS A 32 -5.806 -14.006 -5.407 1.00 44.14 N ATOM 0 H HIS A 32 -2.290 -12.440 -2.085 1.00 44.23 H new ATOM 0 HA HIS A 32 -2.067 -12.423 -4.979 1.00 53.42 H new ATOM 0 HB2 HIS A 32 -3.869 -11.097 -2.946 1.00 62.33 H new ATOM 0 HB3 HIS A 32 -3.828 -10.509 -4.596 1.00 62.33 H new ATOM 0 HD1 HIS A 32 -5.771 -12.654 -2.592 1.00 15.20 H new ATOM 0 HD2 HIS A 32 -4.154 -13.000 -6.437 1.00 11.12 H new ATOM 0 HE1 HIS A 32 -7.129 -14.437 -3.786 1.00 63.44 H new ATOM 535 N HIS A 33 -1.313 -9.689 -3.258 1.00 3.33 N ATOM 536 CA HIS A 33 -0.627 -8.402 -3.405 1.00 70.43 C ATOM 537 C HIS A 33 0.864 -8.495 -3.081 1.00 14.11 C ATOM 538 O HIS A 33 1.543 -7.476 -2.967 1.00 41.13 O ATOM 539 CB HIS A 33 -1.300 -7.286 -2.580 1.00 12.54 C ATOM 540 CG HIS A 33 -1.629 -7.639 -1.158 1.00 74.03 C ATOM 541 ND1 HIS A 33 -0.791 -7.387 -0.093 1.00 53.44 N ATOM 542 CD2 HIS A 33 -2.741 -8.206 -0.631 1.00 3.11 C ATOM 543 CE1 HIS A 33 -1.374 -7.787 1.025 1.00 42.42 C ATOM 544 NE2 HIS A 33 -2.556 -8.287 0.725 1.00 32.14 N ATOM 0 H HIS A 33 -1.776 -9.829 -2.360 1.00 3.33 H new ATOM 0 HA HIS A 33 -0.715 -8.134 -4.458 1.00 70.43 H new ATOM 0 HB2 HIS A 33 -0.644 -6.415 -2.577 1.00 12.54 H new ATOM 0 HB3 HIS A 33 -2.220 -6.990 -3.084 1.00 12.54 H new ATOM 0 HD2 HIS A 33 -3.612 -8.534 -1.178 1.00 3.11 H new ATOM 0 HE1 HIS A 33 -0.952 -7.716 2.017 1.00 42.42 H new ATOM 0 HE2 HIS A 33 -3.224 -8.672 1.393 1.00 32.14 H new ATOM 553 N LYS A 34 1.382 -9.712 -2.958 1.00 53.31 N ATOM 554 CA LYS A 34 2.811 -9.908 -2.808 1.00 33.13 C ATOM 555 C LYS A 34 3.496 -9.840 -4.168 1.00 43.13 C ATOM 556 O LYS A 34 4.629 -9.372 -4.286 1.00 31.22 O ATOM 557 CB LYS A 34 3.098 -11.244 -2.108 1.00 44.03 C ATOM 558 CG LYS A 34 2.500 -12.480 -2.780 1.00 35.22 C ATOM 559 CD LYS A 34 3.390 -13.055 -3.873 1.00 71.24 C ATOM 560 CE LYS A 34 4.697 -13.594 -3.321 1.00 11.40 C ATOM 561 NZ LYS A 34 5.509 -14.254 -4.377 1.00 70.03 N ATOM 0 H LYS A 34 0.833 -10.572 -2.960 1.00 53.31 H new ATOM 0 HA LYS A 34 3.214 -9.110 -2.184 1.00 33.13 H new ATOM 0 HB2 LYS A 34 4.178 -11.375 -2.041 1.00 44.03 H new ATOM 0 HB3 LYS A 34 2.720 -11.188 -1.087 1.00 44.03 H new ATOM 0 HG2 LYS A 34 2.321 -13.246 -2.025 1.00 35.22 H new ATOM 0 HG3 LYS A 34 1.531 -12.221 -3.207 1.00 35.22 H new ATOM 0 HD2 LYS A 34 2.858 -13.854 -4.390 1.00 71.24 H new ATOM 0 HD3 LYS A 34 3.601 -12.282 -4.612 1.00 71.24 H new ATOM 0 HE2 LYS A 34 5.269 -12.779 -2.878 1.00 11.40 H new ATOM 0 HE3 LYS A 34 4.489 -14.307 -2.523 1.00 11.40 H new ATOM 0 HZ1 LYS A 34 6.394 -14.610 -3.963 1.00 70.03 H new ATOM 0 HZ2 LYS A 34 4.973 -15.048 -4.782 1.00 70.03 H new ATOM 0 HZ3 LYS A 34 5.729 -13.567 -5.126 1.00 70.03 H new ATOM 575 N SER A 35 2.785 -10.302 -5.186 1.00 33.25 N ATOM 576 CA SER A 35 3.299 -10.323 -6.550 1.00 22.10 C ATOM 577 C SER A 35 3.281 -8.923 -7.156 1.00 71.11 C ATOM 578 O SER A 35 4.159 -8.562 -7.940 1.00 24.05 O ATOM 579 CB SER A 35 2.462 -11.276 -7.407 1.00 33.31 C ATOM 580 OG SER A 35 2.351 -12.547 -6.788 1.00 41.12 O ATOM 0 H SER A 35 1.839 -10.672 -5.092 1.00 33.25 H new ATOM 0 HA SER A 35 4.331 -10.673 -6.526 1.00 22.10 H new ATOM 0 HB2 SER A 35 1.469 -10.855 -7.562 1.00 33.31 H new ATOM 0 HB3 SER A 35 2.920 -11.385 -8.390 1.00 33.31 H new ATOM 0 HG SER A 35 1.811 -13.139 -7.352 1.00 41.12 H new ATOM 586 N CYS A 36 2.280 -8.140 -6.772 1.00 55.42 N ATOM 587 CA CYS A 36 2.118 -6.777 -7.265 1.00 13.22 C ATOM 588 C CYS A 36 3.367 -5.938 -7.011 1.00 22.34 C ATOM 589 O CYS A 36 3.916 -5.317 -7.924 1.00 61.11 O ATOM 590 CB CYS A 36 0.923 -6.134 -6.573 1.00 31.21 C ATOM 591 SG CYS A 36 -0.633 -7.009 -6.843 1.00 51.22 S ATOM 0 H CYS A 36 1.559 -8.431 -6.112 1.00 55.42 H new ATOM 0 HA CYS A 36 1.955 -6.819 -8.342 1.00 13.22 H new ATOM 0 HB2 CYS A 36 1.119 -6.083 -5.502 1.00 31.21 H new ATOM 0 HB3 CYS A 36 0.819 -5.108 -6.927 1.00 31.21 H new ATOM 0 HG CYS A 36 -1.591 -6.393 -6.217 1.00 51.22 H new ATOM 597 N MET A 37 3.807 -5.943 -5.761 1.00 21.44 N ATOM 598 CA MET A 37 4.971 -5.167 -5.335 1.00 21.11 C ATOM 599 C MET A 37 6.240 -5.583 -6.080 1.00 25.34 C ATOM 600 O MET A 37 7.160 -4.781 -6.248 1.00 11.33 O ATOM 601 CB MET A 37 5.180 -5.309 -3.825 1.00 74.33 C ATOM 602 CG MET A 37 4.035 -4.754 -2.994 1.00 34.21 C ATOM 603 SD MET A 37 4.380 -4.791 -1.224 1.00 60.34 S ATOM 604 CE MET A 37 4.573 -6.550 -0.936 1.00 22.23 C ATOM 0 H MET A 37 3.371 -6.482 -5.013 1.00 21.44 H new ATOM 0 HA MET A 37 4.772 -4.123 -5.577 1.00 21.11 H new ATOM 0 HB2 MET A 37 5.314 -6.363 -3.584 1.00 74.33 H new ATOM 0 HB3 MET A 37 6.101 -4.798 -3.545 1.00 74.33 H new ATOM 0 HG2 MET A 37 3.834 -3.727 -3.300 1.00 34.21 H new ATOM 0 HG3 MET A 37 3.132 -5.330 -3.196 1.00 34.21 H new ATOM 0 HE1 MET A 37 4.102 -6.818 0.010 1.00 22.23 H new ATOM 0 HE2 MET A 37 4.101 -7.105 -1.746 1.00 22.23 H new ATOM 0 HE3 MET A 37 5.634 -6.798 -0.896 1.00 22.23 H new ATOM 614 N ARG A 38 6.286 -6.828 -6.528 1.00 43.43 N ATOM 615 CA ARG A 38 7.431 -7.331 -7.277 1.00 63.25 C ATOM 616 C ARG A 38 7.404 -6.832 -8.719 1.00 50.24 C ATOM 617 O ARG A 38 8.437 -6.491 -9.293 1.00 24.51 O ATOM 618 CB ARG A 38 7.439 -8.862 -7.274 1.00 13.41 C ATOM 619 CG ARG A 38 8.277 -9.493 -6.173 1.00 0.32 C ATOM 620 CD ARG A 38 7.776 -9.128 -4.787 1.00 2.11 C ATOM 621 NE ARG A 38 8.561 -9.777 -3.739 1.00 0.24 N ATOM 622 CZ ARG A 38 8.059 -10.188 -2.580 1.00 45.14 C ATOM 623 NH1 ARG A 38 6.767 -10.030 -2.316 1.00 3.22 N ATOM 624 NH2 ARG A 38 8.849 -10.766 -1.683 1.00 60.55 N ATOM 0 H ARG A 38 5.542 -7.512 -6.386 1.00 43.43 H new ATOM 0 HA ARG A 38 8.334 -6.960 -6.792 1.00 63.25 H new ATOM 0 HB2 ARG A 38 6.413 -9.217 -7.179 1.00 13.41 H new ATOM 0 HB3 ARG A 38 7.809 -9.211 -8.238 1.00 13.41 H new ATOM 0 HG2 ARG A 38 8.266 -10.577 -6.287 1.00 0.32 H new ATOM 0 HG3 ARG A 38 9.313 -9.172 -6.279 1.00 0.32 H new ATOM 0 HD2 ARG A 38 7.820 -8.047 -4.657 1.00 2.11 H new ATOM 0 HD3 ARG A 38 6.730 -9.418 -4.690 1.00 2.11 H new ATOM 0 HE ARG A 38 9.556 -9.923 -3.908 1.00 0.24 H new ATOM 0 HH11 ARG A 38 6.156 -9.591 -3.005 1.00 3.22 H new ATOM 0 HH12 ARG A 38 6.386 -10.347 -1.425 1.00 3.22 H new ATOM 0 HH21 ARG A 38 9.841 -10.894 -1.884 1.00 60.55 H new ATOM 0 HH22 ARG A 38 8.464 -11.082 -0.793 1.00 60.55 H new ATOM 638 N LYS A 39 6.208 -6.776 -9.285 1.00 73.30 N ATOM 639 CA LYS A 39 6.016 -6.477 -10.692 1.00 13.25 C ATOM 640 C LYS A 39 6.265 -5.003 -11.010 1.00 61.14 C ATOM 641 O LYS A 39 7.037 -4.672 -11.911 1.00 31.13 O ATOM 642 CB LYS A 39 4.584 -6.848 -11.056 1.00 42.44 C ATOM 643 CG LYS A 39 4.152 -6.410 -12.434 1.00 71.43 C ATOM 644 CD LYS A 39 2.657 -6.178 -12.460 1.00 34.41 C ATOM 645 CE LYS A 39 1.881 -7.420 -12.052 1.00 75.43 C ATOM 646 NZ LYS A 39 1.894 -8.465 -13.109 1.00 11.34 N ATOM 0 H LYS A 39 5.339 -6.938 -8.776 1.00 73.30 H new ATOM 0 HA LYS A 39 6.736 -7.052 -11.275 1.00 13.25 H new ATOM 0 HB2 LYS A 39 4.473 -7.930 -10.982 1.00 42.44 H new ATOM 0 HB3 LYS A 39 3.910 -6.407 -10.321 1.00 42.44 H new ATOM 0 HG2 LYS A 39 4.675 -5.496 -12.714 1.00 71.43 H new ATOM 0 HG3 LYS A 39 4.423 -7.170 -13.167 1.00 71.43 H new ATOM 0 HD2 LYS A 39 2.406 -5.357 -11.789 1.00 34.41 H new ATOM 0 HD3 LYS A 39 2.355 -5.874 -13.462 1.00 34.41 H new ATOM 0 HE2 LYS A 39 2.308 -7.828 -11.136 1.00 75.43 H new ATOM 0 HE3 LYS A 39 0.850 -7.145 -11.829 1.00 75.43 H new ATOM 0 HZ1 LYS A 39 1.353 -9.292 -12.786 1.00 11.34 H new ATOM 0 HZ2 LYS A 39 1.463 -8.087 -13.977 1.00 11.34 H new ATOM 0 HZ3 LYS A 39 2.875 -8.748 -13.305 1.00 11.34 H new ATOM 660 N PHE A 40 5.616 -4.131 -10.250 1.00 4.41 N ATOM 661 CA PHE A 40 5.567 -2.704 -10.549 1.00 13.31 C ATOM 662 C PHE A 40 6.915 -1.987 -10.383 1.00 10.00 C ATOM 663 O PHE A 40 6.997 -0.774 -10.577 1.00 31.45 O ATOM 664 CB PHE A 40 4.525 -2.054 -9.646 1.00 53.21 C ATOM 665 CG PHE A 40 3.159 -1.963 -10.265 1.00 42.45 C ATOM 666 CD1 PHE A 40 2.820 -0.887 -11.070 1.00 1.22 C ATOM 667 CD2 PHE A 40 2.213 -2.952 -10.041 1.00 21.23 C ATOM 668 CE1 PHE A 40 1.563 -0.798 -11.640 1.00 4.34 C ATOM 669 CE2 PHE A 40 0.955 -2.868 -10.608 1.00 3.44 C ATOM 670 CZ PHE A 40 0.630 -1.789 -11.409 1.00 43.15 C ATOM 0 H PHE A 40 5.107 -4.393 -9.406 1.00 4.41 H new ATOM 0 HA PHE A 40 5.302 -2.605 -11.602 1.00 13.31 H new ATOM 0 HB2 PHE A 40 4.456 -2.622 -8.718 1.00 53.21 H new ATOM 0 HB3 PHE A 40 4.861 -1.052 -9.382 1.00 53.21 H new ATOM 0 HD1 PHE A 40 3.546 -0.109 -11.254 1.00 1.22 H new ATOM 0 HD2 PHE A 40 2.462 -3.797 -9.417 1.00 21.23 H new ATOM 0 HE1 PHE A 40 1.312 0.046 -12.265 1.00 4.34 H new ATOM 0 HE2 PHE A 40 0.227 -3.644 -10.425 1.00 3.44 H new ATOM 0 HZ PHE A 40 -0.352 -1.721 -11.853 1.00 43.15 H new ATOM 680 N LYS A 41 7.974 -2.719 -10.061 1.00 42.53 N ATOM 681 CA LYS A 41 9.270 -2.091 -9.802 1.00 32.41 C ATOM 682 C LYS A 41 10.053 -1.864 -11.093 1.00 70.42 C ATOM 683 O LYS A 41 11.211 -1.447 -11.055 1.00 32.35 O ATOM 684 CB LYS A 41 10.111 -2.943 -8.847 1.00 24.11 C ATOM 685 CG LYS A 41 10.634 -4.222 -9.479 1.00 51.31 C ATOM 686 CD LYS A 41 11.638 -4.918 -8.577 1.00 1.22 C ATOM 687 CE LYS A 41 12.206 -6.165 -9.237 1.00 23.30 C ATOM 688 NZ LYS A 41 11.155 -7.186 -9.494 1.00 52.43 N ATOM 0 H LYS A 41 7.966 -3.735 -9.973 1.00 42.53 H new ATOM 0 HA LYS A 41 9.066 -1.124 -9.341 1.00 32.41 H new ATOM 0 HB2 LYS A 41 10.954 -2.351 -8.491 1.00 24.11 H new ATOM 0 HB3 LYS A 41 9.510 -3.198 -7.974 1.00 24.11 H new ATOM 0 HG2 LYS A 41 9.801 -4.894 -9.685 1.00 51.31 H new ATOM 0 HG3 LYS A 41 11.102 -3.991 -10.436 1.00 51.31 H new ATOM 0 HD2 LYS A 41 12.449 -4.231 -8.335 1.00 1.22 H new ATOM 0 HD3 LYS A 41 11.158 -5.189 -7.637 1.00 1.22 H new ATOM 0 HE2 LYS A 41 12.684 -5.892 -10.178 1.00 23.30 H new ATOM 0 HE3 LYS A 41 12.979 -6.593 -8.599 1.00 23.30 H new ATOM 0 HZ1 LYS A 41 11.407 -8.072 -9.012 1.00 52.43 H new ATOM 0 HZ2 LYS A 41 10.242 -6.843 -9.133 1.00 52.43 H new ATOM 0 HZ3 LYS A 41 11.080 -7.358 -10.517 1.00 52.43 H new ATOM 702 N GLU A 42 9.416 -2.111 -12.226 1.00 22.10 N ATOM 703 CA GLU A 42 10.100 -2.063 -13.514 1.00 73.15 C ATOM 704 C GLU A 42 10.616 -0.661 -13.834 1.00 64.00 C ATOM 705 O GLU A 42 11.674 -0.509 -14.439 1.00 44.21 O ATOM 706 CB GLU A 42 9.182 -2.555 -14.630 1.00 12.42 C ATOM 707 CG GLU A 42 7.909 -1.742 -14.794 1.00 55.15 C ATOM 708 CD GLU A 42 7.046 -2.255 -15.924 1.00 45.30 C ATOM 709 OE1 GLU A 42 7.233 -1.805 -17.076 1.00 10.14 O ATOM 710 OE2 GLU A 42 6.187 -3.120 -15.671 1.00 51.21 O ATOM 0 H GLU A 42 8.425 -2.347 -12.283 1.00 22.10 H new ATOM 0 HA GLU A 42 10.963 -2.726 -13.446 1.00 73.15 H new ATOM 0 HB2 GLU A 42 9.732 -2.541 -15.571 1.00 12.42 H new ATOM 0 HB3 GLU A 42 8.914 -3.593 -14.433 1.00 12.42 H new ATOM 0 HG2 GLU A 42 7.341 -1.768 -13.864 1.00 55.15 H new ATOM 0 HG3 GLU A 42 8.167 -0.700 -14.980 1.00 55.15 H new ATOM 717 N TYR A 43 9.878 0.360 -13.413 1.00 34.20 N ATOM 718 CA TYR A 43 10.266 1.740 -13.693 1.00 22.21 C ATOM 719 C TYR A 43 11.388 2.190 -12.767 1.00 33.33 C ATOM 720 O TYR A 43 12.031 3.212 -13.010 1.00 23.05 O ATOM 721 CB TYR A 43 9.066 2.679 -13.556 1.00 41.21 C ATOM 722 CG TYR A 43 7.958 2.402 -14.549 1.00 14.11 C ATOM 723 CD1 TYR A 43 8.176 2.534 -15.914 1.00 20.03 C ATOM 724 CD2 TYR A 43 6.700 2.001 -14.121 1.00 51.25 C ATOM 725 CE1 TYR A 43 7.171 2.276 -16.825 1.00 22.44 C ATOM 726 CE2 TYR A 43 5.689 1.740 -15.027 1.00 22.44 C ATOM 727 CZ TYR A 43 5.929 1.880 -16.376 1.00 72.23 C ATOM 728 OH TYR A 43 4.922 1.617 -17.281 1.00 74.41 O ATOM 0 H TYR A 43 9.014 0.261 -12.880 1.00 34.20 H new ATOM 0 HA TYR A 43 10.628 1.781 -14.720 1.00 22.21 H new ATOM 0 HB2 TYR A 43 8.665 2.596 -12.546 1.00 41.21 H new ATOM 0 HB3 TYR A 43 9.405 3.707 -13.681 1.00 41.21 H new ATOM 0 HD1 TYR A 43 9.148 2.844 -16.269 1.00 20.03 H new ATOM 0 HD2 TYR A 43 6.508 1.891 -13.064 1.00 51.25 H new ATOM 0 HE1 TYR A 43 7.357 2.384 -17.883 1.00 22.44 H new ATOM 0 HE2 TYR A 43 4.716 1.428 -14.679 1.00 22.44 H new ATOM 0 HH TYR A 43 4.112 1.349 -16.800 1.00 74.41 H new ATOM 738 N CYS A 44 11.614 1.413 -11.708 1.00 11.34 N ATOM 739 CA CYS A 44 12.644 1.717 -10.718 1.00 73.11 C ATOM 740 C CYS A 44 12.396 3.093 -10.092 1.00 62.14 C ATOM 741 O CYS A 44 13.332 3.823 -9.767 1.00 52.43 O ATOM 742 CB CYS A 44 14.033 1.656 -11.367 1.00 22.22 C ATOM 743 SG CYS A 44 15.410 1.609 -10.192 1.00 12.14 S ATOM 0 H CYS A 44 11.091 0.559 -11.514 1.00 11.34 H new ATOM 0 HA CYS A 44 12.600 0.971 -9.924 1.00 73.11 H new ATOM 0 HB2 CYS A 44 14.084 0.772 -12.003 1.00 22.22 H new ATOM 0 HB3 CYS A 44 14.155 2.523 -12.016 1.00 22.22 H new ATOM 0 HG CYS A 44 15.265 2.558 -9.315 1.00 12.14 H new ATOM 749 N GLU A 45 11.127 3.437 -9.922 1.00 62.42 N ATOM 750 CA GLU A 45 10.757 4.699 -9.304 1.00 50.12 C ATOM 751 C GLU A 45 10.136 4.458 -7.938 1.00 71.21 C ATOM 752 O GLU A 45 9.410 3.482 -7.741 1.00 4.32 O ATOM 753 CB GLU A 45 9.761 5.467 -10.178 1.00 62.14 C ATOM 754 CG GLU A 45 10.336 5.964 -11.493 1.00 45.14 C ATOM 755 CD GLU A 45 9.335 6.784 -12.281 1.00 43.10 C ATOM 756 OE1 GLU A 45 9.244 8.011 -12.048 1.00 41.44 O ATOM 757 OE2 GLU A 45 8.627 6.211 -13.131 1.00 60.44 O ATOM 0 H GLU A 45 10.336 2.858 -10.204 1.00 62.42 H new ATOM 0 HA GLU A 45 11.665 5.292 -9.194 1.00 50.12 H new ATOM 0 HB2 GLU A 45 8.908 4.822 -10.389 1.00 62.14 H new ATOM 0 HB3 GLU A 45 9.384 6.320 -9.614 1.00 62.14 H new ATOM 0 HG2 GLU A 45 11.222 6.567 -11.295 1.00 45.14 H new ATOM 0 HG3 GLU A 45 10.657 5.112 -12.092 1.00 45.14 H new ATOM 764 N GLY A 46 10.443 5.333 -6.994 1.00 23.34 N ATOM 765 CA GLY A 46 9.792 5.296 -5.711 1.00 21.32 C ATOM 766 C GLY A 46 8.854 6.468 -5.549 1.00 63.42 C ATOM 767 O GLY A 46 8.162 6.852 -6.493 1.00 12.25 O ATOM 0 H GLY A 46 11.138 6.072 -7.099 1.00 23.34 H new ATOM 0 HA2 GLY A 46 9.237 4.364 -5.607 1.00 21.32 H new ATOM 0 HA3 GLY A 46 10.540 5.312 -4.918 1.00 21.32 H new ATOM 771 N LEU A 47 8.850 7.058 -4.372 1.00 51.12 N ATOM 772 CA LEU A 47 7.982 8.188 -4.092 1.00 50.43 C ATOM 773 C LEU A 47 8.424 8.857 -2.804 1.00 12.31 C ATOM 774 O LEU A 47 8.734 8.177 -1.827 1.00 11.01 O ATOM 775 CB LEU A 47 6.525 7.728 -3.970 1.00 10.05 C ATOM 776 CG LEU A 47 5.477 8.816 -4.204 1.00 63.43 C ATOM 777 CD1 LEU A 47 5.480 9.252 -5.662 1.00 45.02 C ATOM 778 CD2 LEU A 47 4.099 8.324 -3.797 1.00 65.40 C ATOM 0 H LEU A 47 9.440 6.774 -3.590 1.00 51.12 H new ATOM 0 HA LEU A 47 8.051 8.900 -4.914 1.00 50.43 H new ATOM 0 HB2 LEU A 47 6.354 6.922 -4.684 1.00 10.05 H new ATOM 0 HB3 LEU A 47 6.375 7.310 -2.975 1.00 10.05 H new ATOM 0 HG LEU A 47 5.730 9.678 -3.586 1.00 63.43 H new ATOM 0 HD11 LEU A 47 4.728 10.027 -5.812 1.00 45.02 H new ATOM 0 HD12 LEU A 47 6.463 9.645 -5.922 1.00 45.02 H new ATOM 0 HD13 LEU A 47 5.251 8.397 -6.298 1.00 45.02 H new ATOM 0 HD21 LEU A 47 3.366 9.111 -3.970 1.00 65.40 H new ATOM 0 HD22 LEU A 47 3.836 7.447 -4.389 1.00 65.40 H new ATOM 0 HD23 LEU A 47 4.105 8.060 -2.739 1.00 65.40 H new ATOM 790 N GLN A 48 8.485 10.179 -2.809 1.00 1.22 N ATOM 791 CA GLN A 48 8.877 10.916 -1.625 1.00 65.13 C ATOM 792 C GLN A 48 7.699 11.078 -0.682 1.00 63.33 C ATOM 793 O GLN A 48 6.548 10.843 -1.052 1.00 52.04 O ATOM 794 CB GLN A 48 9.443 12.296 -1.978 1.00 63.20 C ATOM 795 CG GLN A 48 10.868 12.279 -2.525 1.00 4.51 C ATOM 796 CD GLN A 48 10.993 11.620 -3.886 1.00 5.11 C ATOM 797 OE1 GLN A 48 10.863 12.278 -4.916 1.00 24.40 O ATOM 798 NE2 GLN A 48 11.267 10.324 -3.901 1.00 41.53 N ATOM 0 H GLN A 48 8.268 10.760 -3.619 1.00 1.22 H new ATOM 0 HA GLN A 48 9.660 10.340 -1.132 1.00 65.13 H new ATOM 0 HB2 GLN A 48 8.791 12.764 -2.715 1.00 63.20 H new ATOM 0 HB3 GLN A 48 9.418 12.923 -1.087 1.00 63.20 H new ATOM 0 HG2 GLN A 48 11.234 13.304 -2.593 1.00 4.51 H new ATOM 0 HG3 GLN A 48 11.513 11.757 -1.818 1.00 4.51 H new ATOM 0 HE21 GLN A 48 11.367 9.814 -3.024 1.00 41.53 H new ATOM 0 HE22 GLN A 48 11.378 9.836 -4.790 1.00 41.53 H new ATOM 807 N PHE A 49 8.001 11.516 0.524 1.00 52.53 N ATOM 808 CA PHE A 49 7.002 11.648 1.577 1.00 14.13 C ATOM 809 C PHE A 49 5.926 12.660 1.202 1.00 61.54 C ATOM 810 O PHE A 49 4.736 12.428 1.398 1.00 41.34 O ATOM 811 CB PHE A 49 7.680 12.042 2.899 1.00 61.41 C ATOM 812 CG PHE A 49 8.585 13.246 2.808 1.00 1.12 C ATOM 813 CD1 PHE A 49 9.922 13.098 2.473 1.00 52.13 C ATOM 814 CD2 PHE A 49 8.101 14.521 3.059 1.00 35.14 C ATOM 815 CE1 PHE A 49 10.757 14.196 2.389 1.00 10.31 C ATOM 816 CE2 PHE A 49 8.932 15.621 2.977 1.00 3.50 C ATOM 817 CZ PHE A 49 10.261 15.459 2.640 1.00 71.53 C ATOM 0 H PHE A 49 8.942 11.791 0.806 1.00 52.53 H new ATOM 0 HA PHE A 49 6.513 10.682 1.703 1.00 14.13 H new ATOM 0 HB2 PHE A 49 6.908 12.240 3.643 1.00 61.41 H new ATOM 0 HB3 PHE A 49 8.261 11.194 3.261 1.00 61.41 H new ATOM 0 HD1 PHE A 49 10.316 12.112 2.275 1.00 52.13 H new ATOM 0 HD2 PHE A 49 7.062 14.655 3.322 1.00 35.14 H new ATOM 0 HE1 PHE A 49 11.797 14.066 2.127 1.00 10.31 H new ATOM 0 HE2 PHE A 49 8.542 16.608 3.177 1.00 3.50 H new ATOM 0 HZ PHE A 49 10.911 16.319 2.573 1.00 71.53 H new ATOM 827 N HIS A 50 6.354 13.771 0.634 1.00 42.02 N ATOM 828 CA HIS A 50 5.441 14.852 0.282 1.00 31.31 C ATOM 829 C HIS A 50 4.663 14.530 -0.999 1.00 32.21 C ATOM 830 O HIS A 50 3.705 15.222 -1.347 1.00 25.01 O ATOM 831 CB HIS A 50 6.214 16.167 0.134 1.00 34.32 C ATOM 832 CG HIS A 50 5.343 17.356 -0.132 1.00 32.33 C ATOM 833 ND1 HIS A 50 5.513 18.177 -1.220 1.00 14.15 N ATOM 834 CD2 HIS A 50 4.287 17.854 0.552 1.00 52.44 C ATOM 835 CE1 HIS A 50 4.602 19.129 -1.198 1.00 3.12 C ATOM 836 NE2 HIS A 50 3.842 18.955 -0.132 1.00 1.41 N ATOM 0 H HIS A 50 7.331 13.953 0.404 1.00 42.02 H new ATOM 0 HA HIS A 50 4.715 14.961 1.087 1.00 31.31 H new ATOM 0 HB2 HIS A 50 6.787 16.345 1.044 1.00 34.32 H new ATOM 0 HB3 HIS A 50 6.932 16.065 -0.680 1.00 34.32 H new ATOM 0 HD2 HIS A 50 3.872 17.458 1.467 1.00 52.44 H new ATOM 0 HE1 HIS A 50 4.495 19.918 -1.928 1.00 3.12 H new ATOM 0 HE2 HIS A 50 3.054 19.543 0.138 1.00 1.41 H new ATOM 845 N GLU A 51 5.069 13.478 -1.696 1.00 74.30 N ATOM 846 CA GLU A 51 4.362 13.063 -2.900 1.00 5.54 C ATOM 847 C GLU A 51 3.180 12.176 -2.535 1.00 61.10 C ATOM 848 O GLU A 51 2.158 12.165 -3.227 1.00 41.41 O ATOM 849 CB GLU A 51 5.291 12.323 -3.862 1.00 71.01 C ATOM 850 CG GLU A 51 6.468 13.153 -4.348 1.00 12.22 C ATOM 851 CD GLU A 51 7.269 12.445 -5.423 1.00 43.22 C ATOM 852 OE1 GLU A 51 7.950 11.451 -5.103 1.00 42.52 O ATOM 853 OE2 GLU A 51 7.219 12.880 -6.592 1.00 72.33 O ATOM 0 H GLU A 51 5.875 12.902 -1.453 1.00 74.30 H new ATOM 0 HA GLU A 51 3.999 13.960 -3.401 1.00 5.54 H new ATOM 0 HB2 GLU A 51 5.670 11.428 -3.368 1.00 71.01 H new ATOM 0 HB3 GLU A 51 4.714 11.991 -4.725 1.00 71.01 H new ATOM 0 HG2 GLU A 51 6.103 14.103 -4.737 1.00 12.22 H new ATOM 0 HG3 GLU A 51 7.120 13.383 -3.505 1.00 12.22 H new ATOM 860 N LEU A 52 3.318 11.444 -1.436 1.00 52.21 N ATOM 861 CA LEU A 52 2.253 10.575 -0.961 1.00 23.34 C ATOM 862 C LEU A 52 1.130 11.428 -0.381 1.00 3.24 C ATOM 863 O LEU A 52 1.205 11.894 0.756 1.00 55.43 O ATOM 864 CB LEU A 52 2.792 9.591 0.089 1.00 41.13 C ATOM 865 CG LEU A 52 2.009 8.277 0.245 1.00 4.21 C ATOM 866 CD1 LEU A 52 0.585 8.527 0.720 1.00 71.14 C ATOM 867 CD2 LEU A 52 2.000 7.503 -1.064 1.00 45.13 C ATOM 0 H LEU A 52 4.158 11.436 -0.858 1.00 52.21 H new ATOM 0 HA LEU A 52 1.861 9.991 -1.794 1.00 23.34 H new ATOM 0 HB2 LEU A 52 3.824 9.348 -0.165 1.00 41.13 H new ATOM 0 HB3 LEU A 52 2.812 10.096 1.055 1.00 41.13 H new ATOM 0 HG LEU A 52 2.514 7.681 1.005 1.00 4.21 H new ATOM 0 HD11 LEU A 52 0.062 7.576 0.819 1.00 71.14 H new ATOM 0 HD12 LEU A 52 0.607 9.031 1.686 1.00 71.14 H new ATOM 0 HD13 LEU A 52 0.065 9.154 -0.004 1.00 71.14 H new ATOM 0 HD21 LEU A 52 1.441 6.576 -0.935 1.00 45.13 H new ATOM 0 HD22 LEU A 52 1.528 8.106 -1.840 1.00 45.13 H new ATOM 0 HD23 LEU A 52 3.024 7.272 -1.357 1.00 45.13 H new ATOM 879 N THR A 53 0.102 11.644 -1.181 1.00 44.34 N ATOM 880 CA THR A 53 -0.998 12.508 -0.802 1.00 42.13 C ATOM 881 C THR A 53 -2.331 11.886 -1.197 1.00 33.02 C ATOM 882 O THR A 53 -2.361 10.864 -1.883 1.00 22.02 O ATOM 883 CB THR A 53 -0.857 13.880 -1.486 1.00 22.02 C ATOM 884 OG1 THR A 53 -0.436 13.697 -2.848 1.00 52.42 O ATOM 885 CG2 THR A 53 0.139 14.765 -0.753 1.00 43.42 C ATOM 0 H THR A 53 0.007 11.227 -2.107 1.00 44.34 H new ATOM 0 HA THR A 53 -0.970 12.635 0.280 1.00 42.13 H new ATOM 0 HB THR A 53 -1.828 14.375 -1.462 1.00 22.02 H new ATOM 0 HG1 THR A 53 0.471 13.326 -2.863 1.00 52.42 H new ATOM 0 HG21 THR A 53 0.215 15.726 -1.262 1.00 43.42 H new ATOM 0 HG22 THR A 53 -0.199 14.922 0.271 1.00 43.42 H new ATOM 0 HG23 THR A 53 1.116 14.282 -0.742 1.00 43.42 H new ATOM 893 N GLU A 54 -3.424 12.507 -0.763 1.00 20.42 N ATOM 894 CA GLU A 54 -4.763 12.087 -1.162 1.00 61.51 C ATOM 895 C GLU A 54 -4.868 12.057 -2.684 1.00 14.15 C ATOM 896 O GLU A 54 -5.426 11.125 -3.266 1.00 30.32 O ATOM 897 CB GLU A 54 -5.797 13.051 -0.570 1.00 23.41 C ATOM 898 CG GLU A 54 -7.182 12.930 -1.178 1.00 22.55 C ATOM 899 CD GLU A 54 -7.703 14.269 -1.662 1.00 20.22 C ATOM 900 OE1 GLU A 54 -7.182 14.781 -2.675 1.00 25.20 O ATOM 901 OE2 GLU A 54 -8.627 14.815 -1.030 1.00 3.25 O ATOM 0 H GLU A 54 -3.408 13.308 -0.131 1.00 20.42 H new ATOM 0 HA GLU A 54 -4.958 11.083 -0.784 1.00 61.51 H new ATOM 0 HB2 GLU A 54 -5.867 12.876 0.503 1.00 23.41 H new ATOM 0 HB3 GLU A 54 -5.442 14.073 -0.703 1.00 23.41 H new ATOM 0 HG2 GLU A 54 -7.153 12.228 -2.012 1.00 22.55 H new ATOM 0 HG3 GLU A 54 -7.869 12.518 -0.439 1.00 22.55 H new ATOM 908 N ASP A 55 -4.304 13.085 -3.305 1.00 54.33 N ATOM 909 CA ASP A 55 -4.231 13.198 -4.758 1.00 53.31 C ATOM 910 C ASP A 55 -3.657 11.931 -5.383 1.00 4.33 C ATOM 911 O ASP A 55 -4.211 11.398 -6.345 1.00 43.11 O ATOM 912 CB ASP A 55 -3.369 14.408 -5.126 1.00 63.30 C ATOM 913 CG ASP A 55 -3.037 14.472 -6.601 1.00 34.50 C ATOM 914 OD1 ASP A 55 -3.901 14.904 -7.393 1.00 21.11 O ATOM 915 OD2 ASP A 55 -1.901 14.113 -6.970 1.00 1.01 O ATOM 0 H ASP A 55 -3.881 13.871 -2.811 1.00 54.33 H new ATOM 0 HA ASP A 55 -5.239 13.331 -5.150 1.00 53.31 H new ATOM 0 HB2 ASP A 55 -3.891 15.320 -4.837 1.00 63.30 H new ATOM 0 HB3 ASP A 55 -2.443 14.375 -4.552 1.00 63.30 H new ATOM 920 N PHE A 56 -2.561 11.446 -4.814 1.00 14.43 N ATOM 921 CA PHE A 56 -1.918 10.231 -5.304 1.00 32.45 C ATOM 922 C PHE A 56 -2.860 9.038 -5.190 1.00 45.35 C ATOM 923 O PHE A 56 -3.020 8.276 -6.143 1.00 3.13 O ATOM 924 CB PHE A 56 -0.625 9.952 -4.526 1.00 31.13 C ATOM 925 CG PHE A 56 0.101 8.722 -5.001 1.00 63.22 C ATOM 926 CD1 PHE A 56 0.946 8.784 -6.098 1.00 45.11 C ATOM 927 CD2 PHE A 56 -0.059 7.505 -4.351 1.00 70.12 C ATOM 928 CE1 PHE A 56 1.615 7.659 -6.538 1.00 3.52 C ATOM 929 CE2 PHE A 56 0.608 6.376 -4.789 1.00 32.30 C ATOM 930 CZ PHE A 56 1.446 6.454 -5.884 1.00 31.14 C ATOM 0 H PHE A 56 -2.098 11.874 -4.013 1.00 14.43 H new ATOM 0 HA PHE A 56 -1.671 10.382 -6.355 1.00 32.45 H new ATOM 0 HB2 PHE A 56 0.037 10.813 -4.614 1.00 31.13 H new ATOM 0 HB3 PHE A 56 -0.863 9.840 -3.468 1.00 31.13 H new ATOM 0 HD1 PHE A 56 1.083 9.723 -6.614 1.00 45.11 H new ATOM 0 HD2 PHE A 56 -0.712 7.440 -3.493 1.00 70.12 H new ATOM 0 HE1 PHE A 56 2.271 7.721 -7.394 1.00 3.52 H new ATOM 0 HE2 PHE A 56 0.474 5.435 -4.276 1.00 32.30 H new ATOM 0 HZ PHE A 56 1.969 5.574 -6.229 1.00 31.14 H new ATOM 940 N LEU A 57 -3.479 8.880 -4.022 1.00 15.34 N ATOM 941 CA LEU A 57 -4.415 7.786 -3.788 1.00 52.41 C ATOM 942 C LEU A 57 -5.561 7.817 -4.795 1.00 54.12 C ATOM 943 O LEU A 57 -5.954 6.781 -5.328 1.00 35.32 O ATOM 944 CB LEU A 57 -4.969 7.856 -2.360 1.00 62.31 C ATOM 945 CG LEU A 57 -4.096 7.220 -1.269 1.00 65.52 C ATOM 946 CD1 LEU A 57 -3.997 5.717 -1.473 1.00 1.35 C ATOM 947 CD2 LEU A 57 -2.706 7.840 -1.234 1.00 12.52 C ATOM 0 H LEU A 57 -3.348 9.498 -3.222 1.00 15.34 H new ATOM 0 HA LEU A 57 -3.874 6.848 -3.916 1.00 52.41 H new ATOM 0 HB2 LEU A 57 -5.130 8.903 -2.105 1.00 62.31 H new ATOM 0 HB3 LEU A 57 -5.945 7.371 -2.346 1.00 62.31 H new ATOM 0 HG LEU A 57 -4.574 7.415 -0.309 1.00 65.52 H new ATOM 0 HD11 LEU A 57 -3.374 5.284 -0.690 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -4.993 5.277 -1.429 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -3.552 5.510 -2.446 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -2.116 7.366 -0.450 1.00 12.52 H new ATOM 0 HD22 LEU A 57 -2.217 7.691 -2.197 1.00 12.52 H new ATOM 0 HD23 LEU A 57 -2.789 8.908 -1.030 1.00 12.52 H new ATOM 959 N ARG A 58 -6.085 9.010 -5.056 1.00 4.53 N ATOM 960 CA ARG A 58 -7.173 9.184 -6.017 1.00 43.44 C ATOM 961 C ARG A 58 -6.724 8.788 -7.412 1.00 3.44 C ATOM 962 O ARG A 58 -7.339 7.941 -8.060 1.00 33.54 O ATOM 963 CB ARG A 58 -7.631 10.636 -6.039 1.00 32.14 C ATOM 964 CG ARG A 58 -8.154 11.126 -4.708 1.00 64.54 C ATOM 965 CD ARG A 58 -8.148 12.638 -4.644 1.00 34.54 C ATOM 966 NE ARG A 58 -9.067 13.246 -5.602 1.00 12.54 N ATOM 967 CZ ARG A 58 -9.320 14.551 -5.662 1.00 44.01 C ATOM 968 NH1 ARG A 58 -8.761 15.389 -4.794 1.00 34.42 N ATOM 969 NH2 ARG A 58 -10.145 15.020 -6.588 1.00 1.55 N ATOM 0 H ARG A 58 -5.774 9.875 -4.614 1.00 4.53 H new ATOM 0 HA ARG A 58 -7.999 8.543 -5.709 1.00 43.44 H new ATOM 0 HB2 ARG A 58 -6.797 11.267 -6.347 1.00 32.14 H new ATOM 0 HB3 ARG A 58 -8.412 10.751 -6.791 1.00 32.14 H new ATOM 0 HG2 ARG A 58 -9.168 10.756 -4.554 1.00 64.54 H new ATOM 0 HG3 ARG A 58 -7.541 10.722 -3.902 1.00 64.54 H new ATOM 0 HD2 ARG A 58 -8.417 12.956 -3.637 1.00 34.54 H new ATOM 0 HD3 ARG A 58 -7.138 13.002 -4.834 1.00 34.54 H new ATOM 0 HE ARG A 58 -9.543 12.634 -6.265 1.00 12.54 H new ATOM 0 HH11 ARG A 58 -8.132 15.033 -4.074 1.00 34.42 H new ATOM 0 HH12 ARG A 58 -8.961 16.388 -4.848 1.00 34.42 H new ATOM 0 HH21 ARG A 58 -10.583 14.381 -7.251 1.00 1.55 H new ATOM 0 HH22 ARG A 58 -10.341 16.020 -6.637 1.00 1.55 H new ATOM 983 N ASP A 59 -5.645 9.417 -7.859 1.00 11.31 N ATOM 984 CA ASP A 59 -5.108 9.188 -9.200 1.00 14.21 C ATOM 985 C ASP A 59 -4.757 7.718 -9.425 1.00 51.54 C ATOM 986 O ASP A 59 -5.089 7.142 -10.464 1.00 15.14 O ATOM 987 CB ASP A 59 -3.868 10.058 -9.429 1.00 71.13 C ATOM 988 CG ASP A 59 -3.347 9.965 -10.850 1.00 75.24 C ATOM 989 OD1 ASP A 59 -3.876 10.681 -11.727 1.00 32.44 O ATOM 990 OD2 ASP A 59 -2.401 9.191 -11.094 1.00 15.13 O ATOM 0 H ASP A 59 -5.118 10.096 -7.309 1.00 11.31 H new ATOM 0 HA ASP A 59 -5.883 9.462 -9.915 1.00 14.21 H new ATOM 0 HB2 ASP A 59 -4.110 11.096 -9.201 1.00 71.13 H new ATOM 0 HB3 ASP A 59 -3.082 9.754 -8.737 1.00 71.13 H new ATOM 995 N TYR A 60 -4.104 7.111 -8.441 1.00 14.20 N ATOM 996 CA TYR A 60 -3.680 5.722 -8.549 1.00 10.04 C ATOM 997 C TYR A 60 -4.892 4.794 -8.536 1.00 62.32 C ATOM 998 O TYR A 60 -4.916 3.779 -9.232 1.00 62.13 O ATOM 999 CB TYR A 60 -2.725 5.359 -7.408 1.00 51.32 C ATOM 1000 CG TYR A 60 -1.924 4.101 -7.663 1.00 55.42 C ATOM 1001 CD1 TYR A 60 -0.738 4.149 -8.382 1.00 32.23 C ATOM 1002 CD2 TYR A 60 -2.353 2.869 -7.188 1.00 61.23 C ATOM 1003 CE1 TYR A 60 -0.001 3.004 -8.622 1.00 23.53 C ATOM 1004 CE2 TYR A 60 -1.621 1.719 -7.423 1.00 13.53 C ATOM 1005 CZ TYR A 60 -0.447 1.792 -8.141 1.00 34.15 C ATOM 1006 OH TYR A 60 0.284 0.650 -8.378 1.00 0.30 O ATOM 0 H TYR A 60 -3.857 7.560 -7.559 1.00 14.20 H new ATOM 0 HA TYR A 60 -3.153 5.598 -9.495 1.00 10.04 H new ATOM 0 HB2 TYR A 60 -2.038 6.189 -7.243 1.00 51.32 H new ATOM 0 HB3 TYR A 60 -3.300 5.233 -6.491 1.00 51.32 H new ATOM 0 HD1 TYR A 60 -0.385 5.097 -8.761 1.00 32.23 H new ATOM 0 HD2 TYR A 60 -3.273 2.807 -6.626 1.00 61.23 H new ATOM 0 HE1 TYR A 60 0.920 3.059 -9.184 1.00 23.53 H new ATOM 0 HE2 TYR A 60 -1.968 0.768 -7.046 1.00 13.53 H new ATOM 0 HH TYR A 60 -0.168 -0.118 -7.970 1.00 0.30 H new ATOM 1016 N LEU A 61 -5.894 5.152 -7.741 1.00 32.02 N ATOM 1017 CA LEU A 61 -7.144 4.402 -7.697 1.00 63.43 C ATOM 1018 C LEU A 61 -7.785 4.363 -9.073 1.00 12.31 C ATOM 1019 O LEU A 61 -8.161 3.299 -9.569 1.00 71.53 O ATOM 1020 CB LEU A 61 -8.108 5.042 -6.697 1.00 41.12 C ATOM 1021 CG LEU A 61 -9.506 4.423 -6.650 1.00 15.35 C ATOM 1022 CD1 LEU A 61 -9.436 2.962 -6.245 1.00 34.42 C ATOM 1023 CD2 LEU A 61 -10.402 5.201 -5.697 1.00 24.04 C ATOM 0 H LEU A 61 -5.865 5.958 -7.117 1.00 32.02 H new ATOM 0 HA LEU A 61 -6.924 3.383 -7.380 1.00 63.43 H new ATOM 0 HB2 LEU A 61 -7.667 4.980 -5.702 1.00 41.12 H new ATOM 0 HB3 LEU A 61 -8.205 6.101 -6.937 1.00 41.12 H new ATOM 0 HG LEU A 61 -9.937 4.477 -7.650 1.00 15.35 H new ATOM 0 HD11 LEU A 61 -10.442 2.543 -6.218 1.00 34.42 H new ATOM 0 HD12 LEU A 61 -8.833 2.412 -6.968 1.00 34.42 H new ATOM 0 HD13 LEU A 61 -8.982 2.880 -5.257 1.00 34.42 H new ATOM 0 HD21 LEU A 61 -11.393 4.747 -5.676 1.00 24.04 H new ATOM 0 HD22 LEU A 61 -9.972 5.181 -4.695 1.00 24.04 H new ATOM 0 HD23 LEU A 61 -10.484 6.234 -6.036 1.00 24.04 H new ATOM 1035 N ILE A 62 -7.898 5.533 -9.685 1.00 22.32 N ATOM 1036 CA ILE A 62 -8.464 5.646 -11.021 1.00 4.34 C ATOM 1037 C ILE A 62 -7.682 4.783 -12.008 1.00 62.02 C ATOM 1038 O ILE A 62 -8.266 4.017 -12.764 1.00 51.11 O ATOM 1039 CB ILE A 62 -8.480 7.109 -11.514 1.00 11.50 C ATOM 1040 CG1 ILE A 62 -9.276 7.996 -10.549 1.00 42.44 C ATOM 1041 CG2 ILE A 62 -9.062 7.195 -12.921 1.00 22.10 C ATOM 1042 CD1 ILE A 62 -10.707 7.544 -10.339 1.00 54.30 C ATOM 0 H ILE A 62 -7.604 6.420 -9.276 1.00 22.32 H new ATOM 0 HA ILE A 62 -9.494 5.294 -10.966 1.00 4.34 H new ATOM 0 HB ILE A 62 -7.452 7.470 -11.544 1.00 11.50 H new ATOM 0 HG12 ILE A 62 -8.767 8.016 -9.586 1.00 42.44 H new ATOM 0 HG13 ILE A 62 -9.280 9.018 -10.929 1.00 42.44 H new ATOM 0 HG21 ILE A 62 -9.065 8.234 -13.251 1.00 22.10 H new ATOM 0 HG22 ILE A 62 -8.455 6.600 -13.603 1.00 22.10 H new ATOM 0 HG23 ILE A 62 -10.083 6.813 -12.916 1.00 22.10 H new ATOM 0 HD11 ILE A 62 -11.204 8.221 -9.644 1.00 54.30 H new ATOM 0 HD12 ILE A 62 -11.234 7.551 -11.293 1.00 54.30 H new ATOM 0 HD13 ILE A 62 -10.713 6.534 -9.928 1.00 54.30 H new ATOM 1054 N TYR A 63 -6.357 4.894 -11.972 1.00 14.04 N ATOM 1055 CA TYR A 63 -5.490 4.107 -12.849 1.00 74.33 C ATOM 1056 C TYR A 63 -5.754 2.610 -12.674 1.00 25.45 C ATOM 1057 O TYR A 63 -5.831 1.858 -13.646 1.00 12.13 O ATOM 1058 CB TYR A 63 -4.023 4.427 -12.539 1.00 31.43 C ATOM 1059 CG TYR A 63 -3.021 3.725 -13.434 1.00 30.35 C ATOM 1060 CD1 TYR A 63 -2.626 4.290 -14.640 1.00 33.31 C ATOM 1061 CD2 TYR A 63 -2.460 2.507 -13.068 1.00 23.21 C ATOM 1062 CE1 TYR A 63 -1.701 3.663 -15.454 1.00 64.52 C ATOM 1063 CE2 TYR A 63 -1.537 1.873 -13.878 1.00 23.35 C ATOM 1064 CZ TYR A 63 -1.160 2.456 -15.068 1.00 61.11 C ATOM 1065 OH TYR A 63 -0.236 1.830 -15.875 1.00 71.10 O ATOM 0 H TYR A 63 -5.857 5.523 -11.343 1.00 14.04 H new ATOM 0 HA TYR A 63 -5.707 4.369 -13.885 1.00 74.33 H new ATOM 0 HB2 TYR A 63 -3.874 5.503 -12.623 1.00 31.43 H new ATOM 0 HB3 TYR A 63 -3.817 4.157 -11.503 1.00 31.43 H new ATOM 0 HD1 TYR A 63 -3.049 5.235 -14.947 1.00 33.31 H new ATOM 0 HD2 TYR A 63 -2.750 2.048 -12.134 1.00 23.21 H new ATOM 0 HE1 TYR A 63 -1.404 4.117 -16.388 1.00 64.52 H new ATOM 0 HE2 TYR A 63 -1.113 0.925 -13.580 1.00 23.35 H new ATOM 0 HH TYR A 63 0.047 0.990 -15.457 1.00 71.10 H new ATOM 1075 N MET A 64 -5.919 2.197 -11.428 1.00 3.33 N ATOM 1076 CA MET A 64 -6.121 0.794 -11.095 1.00 32.52 C ATOM 1077 C MET A 64 -7.473 0.287 -11.589 1.00 12.41 C ATOM 1078 O MET A 64 -7.589 -0.844 -12.057 1.00 21.44 O ATOM 1079 CB MET A 64 -6.008 0.613 -9.583 1.00 60.33 C ATOM 1080 CG MET A 64 -6.058 -0.834 -9.119 1.00 33.10 C ATOM 1081 SD MET A 64 -4.870 -1.184 -7.805 1.00 43.14 S ATOM 1082 CE MET A 64 -5.170 0.180 -6.682 1.00 25.15 C ATOM 0 H MET A 64 -5.917 2.821 -10.621 1.00 3.33 H new ATOM 0 HA MET A 64 -5.351 0.207 -11.596 1.00 32.52 H new ATOM 0 HB2 MET A 64 -5.072 1.058 -9.245 1.00 60.33 H new ATOM 0 HB3 MET A 64 -6.816 1.164 -9.102 1.00 60.33 H new ATOM 0 HG2 MET A 64 -7.063 -1.064 -8.765 1.00 33.10 H new ATOM 0 HG3 MET A 64 -5.860 -1.490 -9.967 1.00 33.10 H new ATOM 0 HE1 MET A 64 -4.235 0.708 -6.493 1.00 25.15 H new ATOM 0 HE2 MET A 64 -5.891 0.866 -7.127 1.00 25.15 H new ATOM 0 HE3 MET A 64 -5.566 -0.203 -5.742 1.00 25.15 H new ATOM 1092 N LYS A 65 -8.492 1.118 -11.490 1.00 53.32 N ATOM 1093 CA LYS A 65 -9.824 0.713 -11.929 1.00 71.32 C ATOM 1094 C LYS A 65 -10.022 0.934 -13.430 1.00 72.12 C ATOM 1095 O LYS A 65 -10.864 0.289 -14.053 1.00 43.24 O ATOM 1096 CB LYS A 65 -10.915 1.441 -11.141 1.00 34.02 C ATOM 1097 CG LYS A 65 -10.986 2.938 -11.391 1.00 21.00 C ATOM 1098 CD LYS A 65 -12.180 3.552 -10.679 1.00 31.02 C ATOM 1099 CE LYS A 65 -13.490 2.973 -11.192 1.00 4.35 C ATOM 1100 NZ LYS A 65 -14.650 3.391 -10.364 1.00 25.53 N ATOM 0 H LYS A 65 -8.432 2.065 -11.116 1.00 53.32 H new ATOM 0 HA LYS A 65 -9.907 -0.356 -11.732 1.00 71.32 H new ATOM 0 HB2 LYS A 65 -11.880 0.999 -11.389 1.00 34.02 H new ATOM 0 HB3 LYS A 65 -10.750 1.271 -10.077 1.00 34.02 H new ATOM 0 HG2 LYS A 65 -10.068 3.412 -11.044 1.00 21.00 H new ATOM 0 HG3 LYS A 65 -11.059 3.129 -12.462 1.00 21.00 H new ATOM 0 HD2 LYS A 65 -12.097 3.374 -9.607 1.00 31.02 H new ATOM 0 HD3 LYS A 65 -12.176 4.632 -10.824 1.00 31.02 H new ATOM 0 HE2 LYS A 65 -13.647 3.292 -12.222 1.00 4.35 H new ATOM 0 HE3 LYS A 65 -13.426 1.885 -11.201 1.00 4.35 H new ATOM 0 HZ1 LYS A 65 -15.521 2.973 -10.750 1.00 25.53 H new ATOM 0 HZ2 LYS A 65 -14.514 3.065 -9.386 1.00 25.53 H new ATOM 0 HZ3 LYS A 65 -14.729 4.428 -10.375 1.00 25.53 H new ATOM 1114 N LYS A 66 -9.244 1.836 -14.005 1.00 43.52 N ATOM 1115 CA LYS A 66 -9.372 2.173 -15.419 1.00 23.32 C ATOM 1116 C LYS A 66 -8.469 1.286 -16.275 1.00 72.52 C ATOM 1117 O LYS A 66 -8.954 0.514 -17.106 1.00 12.21 O ATOM 1118 CB LYS A 66 -9.048 3.663 -15.625 1.00 15.41 C ATOM 1119 CG LYS A 66 -9.219 4.178 -17.048 1.00 11.33 C ATOM 1120 CD LYS A 66 -7.907 4.156 -17.817 1.00 3.43 C ATOM 1121 CE LYS A 66 -8.008 4.946 -19.112 1.00 13.55 C ATOM 1122 NZ LYS A 66 -6.699 5.028 -19.812 1.00 54.51 N ATOM 0 H LYS A 66 -8.513 2.352 -13.515 1.00 43.52 H new ATOM 0 HA LYS A 66 -10.399 1.992 -15.736 1.00 23.32 H new ATOM 0 HB2 LYS A 66 -9.686 4.251 -14.965 1.00 15.41 H new ATOM 0 HB3 LYS A 66 -8.018 3.840 -15.314 1.00 15.41 H new ATOM 0 HG2 LYS A 66 -9.956 3.568 -17.569 1.00 11.33 H new ATOM 0 HG3 LYS A 66 -9.608 5.196 -17.022 1.00 11.33 H new ATOM 0 HD2 LYS A 66 -7.113 4.572 -17.197 1.00 3.43 H new ATOM 0 HD3 LYS A 66 -7.631 3.125 -18.039 1.00 3.43 H new ATOM 0 HE2 LYS A 66 -8.742 4.477 -19.767 1.00 13.55 H new ATOM 0 HE3 LYS A 66 -8.369 5.952 -18.897 1.00 13.55 H new ATOM 0 HZ1 LYS A 66 -6.809 5.574 -20.690 1.00 54.51 H new ATOM 0 HZ2 LYS A 66 -6.005 5.498 -19.196 1.00 54.51 H new ATOM 0 HZ3 LYS A 66 -6.366 4.069 -20.040 1.00 54.51 H new ATOM 1136 N THR A 67 -7.164 1.378 -16.054 1.00 20.34 N ATOM 1137 CA THR A 67 -6.200 0.624 -16.838 1.00 54.52 C ATOM 1138 C THR A 67 -6.202 -0.850 -16.438 1.00 10.34 C ATOM 1139 O THR A 67 -6.270 -1.735 -17.290 1.00 22.34 O ATOM 1140 CB THR A 67 -4.783 1.203 -16.664 1.00 20.41 C ATOM 1141 OG1 THR A 67 -4.813 2.617 -16.902 1.00 25.42 O ATOM 1142 CG2 THR A 67 -3.797 0.539 -17.619 1.00 3.23 C ATOM 0 H THR A 67 -6.750 1.971 -15.335 1.00 20.34 H new ATOM 0 HA THR A 67 -6.492 0.705 -17.885 1.00 54.52 H new ATOM 0 HB THR A 67 -4.452 1.006 -15.644 1.00 20.41 H new ATOM 0 HG1 THR A 67 -4.099 3.050 -16.389 1.00 25.42 H new ATOM 0 HG21 THR A 67 -2.805 0.967 -17.474 1.00 3.23 H new ATOM 0 HG22 THR A 67 -3.762 -0.532 -17.420 1.00 3.23 H new ATOM 0 HG23 THR A 67 -4.118 0.706 -18.647 1.00 3.23 H new ATOM 1150 N LEU A 68 -6.152 -1.106 -15.136 1.00 21.50 N ATOM 1151 CA LEU A 68 -6.110 -2.473 -14.628 1.00 41.40 C ATOM 1152 C LEU A 68 -7.517 -3.061 -14.528 1.00 5.41 C ATOM 1153 O LEU A 68 -7.685 -4.278 -14.436 1.00 11.53 O ATOM 1154 CB LEU A 68 -5.414 -2.505 -13.264 1.00 2.44 C ATOM 1155 CG LEU A 68 -3.958 -2.035 -13.268 1.00 23.50 C ATOM 1156 CD1 LEU A 68 -3.390 -2.051 -11.858 1.00 74.14 C ATOM 1157 CD2 LEU A 68 -3.118 -2.904 -14.190 1.00 41.04 C ATOM 0 H LEU A 68 -6.140 -0.386 -14.413 1.00 21.50 H new ATOM 0 HA LEU A 68 -5.540 -3.085 -15.328 1.00 41.40 H new ATOM 0 HB2 LEU A 68 -5.979 -1.882 -12.570 1.00 2.44 H new ATOM 0 HB3 LEU A 68 -5.450 -3.524 -12.879 1.00 2.44 H new ATOM 0 HG LEU A 68 -3.929 -1.011 -13.641 1.00 23.50 H new ATOM 0 HD11 LEU A 68 -2.354 -1.714 -11.879 1.00 74.14 H new ATOM 0 HD12 LEU A 68 -3.975 -1.386 -11.223 1.00 74.14 H new ATOM 0 HD13 LEU A 68 -3.434 -3.065 -11.460 1.00 74.14 H new ATOM 0 HD21 LEU A 68 -2.086 -2.554 -14.179 1.00 41.04 H new ATOM 0 HD22 LEU A 68 -3.154 -3.938 -13.848 1.00 41.04 H new ATOM 0 HD23 LEU A 68 -3.511 -2.844 -15.205 1.00 41.04 H new ATOM 1169 N CYS A 69 -8.518 -2.181 -14.538 1.00 54.12 N ATOM 1170 CA CYS A 69 -9.930 -2.576 -14.533 1.00 32.32 C ATOM 1171 C CYS A 69 -10.309 -3.300 -13.237 1.00 74.21 C ATOM 1172 O CYS A 69 -11.210 -4.139 -13.218 1.00 63.11 O ATOM 1173 CB CYS A 69 -10.247 -3.453 -15.753 1.00 64.11 C ATOM 1174 SG CYS A 69 -12.010 -3.774 -16.000 1.00 33.03 S ATOM 0 H CYS A 69 -8.374 -1.171 -14.550 1.00 54.12 H new ATOM 0 HA CYS A 69 -10.528 -1.667 -14.589 1.00 32.32 H new ATOM 0 HB2 CYS A 69 -9.849 -2.971 -16.646 1.00 64.11 H new ATOM 0 HB3 CYS A 69 -9.728 -4.405 -15.646 1.00 64.11 H new ATOM 0 HG CYS A 69 -12.545 -4.147 -14.875 1.00 33.03 H new ATOM 1180 N ASN A 70 -9.638 -2.963 -12.145 1.00 75.54 N ATOM 1181 CA ASN A 70 -9.956 -3.567 -10.854 1.00 73.34 C ATOM 1182 C ASN A 70 -11.016 -2.748 -10.134 1.00 32.21 C ATOM 1183 O ASN A 70 -11.085 -1.532 -10.295 1.00 42.20 O ATOM 1184 CB ASN A 70 -8.705 -3.700 -9.978 1.00 34.10 C ATOM 1185 CG ASN A 70 -7.787 -4.833 -10.413 1.00 3.24 C ATOM 1186 OD1 ASN A 70 -7.715 -5.087 -11.710 1.00 14.31 O flip ATOM 1187 ND2 ASN A 70 -7.146 -5.478 -9.587 1.00 4.24 N flip ATOM 0 H ASN A 70 -8.878 -2.283 -12.123 1.00 75.54 H new ATOM 0 HA ASN A 70 -10.346 -4.568 -11.040 1.00 73.34 H new ATOM 0 HB2 ASN A 70 -8.151 -2.762 -10.003 1.00 34.10 H new ATOM 0 HB3 ASN A 70 -9.009 -3.864 -8.944 1.00 34.10 H new ATOM 0 HD21 ASN A 70 -7.224 -5.256 -8.594 1.00 4.24 H new ATOM 0 HD22 ASN A 70 -6.535 -6.235 -9.894 1.00 4.24 H new ATOM 1194 N ALA A 71 -11.845 -3.416 -9.349 1.00 21.55 N ATOM 1195 CA ALA A 71 -12.923 -2.746 -8.631 1.00 3.14 C ATOM 1196 C ALA A 71 -12.400 -2.137 -7.336 1.00 3.04 C ATOM 1197 O ALA A 71 -11.269 -2.410 -6.941 1.00 10.33 O ATOM 1198 CB ALA A 71 -14.055 -3.721 -8.344 1.00 32.14 C ATOM 0 H ALA A 71 -11.794 -4.422 -9.191 1.00 21.55 H new ATOM 0 HA ALA A 71 -13.311 -1.943 -9.257 1.00 3.14 H new ATOM 0 HB1 ALA A 71 -14.852 -3.206 -7.808 1.00 32.14 H new ATOM 0 HB2 ALA A 71 -14.445 -4.113 -9.284 1.00 32.14 H new ATOM 0 HB3 ALA A 71 -13.681 -4.544 -7.735 1.00 32.14 H new ATOM 1204 N ASP A 72 -13.220 -1.327 -6.672 1.00 3.33 N ATOM 1205 CA ASP A 72 -12.824 -0.710 -5.405 1.00 70.43 C ATOM 1206 C ASP A 72 -12.503 -1.768 -4.365 1.00 3.31 C ATOM 1207 O ASP A 72 -11.504 -1.676 -3.655 1.00 41.12 O ATOM 1208 CB ASP A 72 -13.902 0.245 -4.857 1.00 54.35 C ATOM 1209 CG ASP A 72 -15.306 -0.350 -4.807 1.00 5.24 C ATOM 1210 OD1 ASP A 72 -15.511 -1.486 -5.291 1.00 23.44 O ATOM 1211 OD2 ASP A 72 -16.220 0.333 -4.291 1.00 21.52 O ATOM 0 H ASP A 72 -14.159 -1.082 -6.986 1.00 3.33 H new ATOM 0 HA ASP A 72 -11.930 -0.122 -5.612 1.00 70.43 H new ATOM 0 HB2 ASP A 72 -13.617 0.557 -3.852 1.00 54.35 H new ATOM 0 HB3 ASP A 72 -13.923 1.143 -5.475 1.00 54.35 H new ATOM 1216 N SER A 73 -13.339 -2.787 -4.295 1.00 64.34 N ATOM 1217 CA SER A 73 -13.136 -3.870 -3.349 1.00 51.12 C ATOM 1218 C SER A 73 -11.792 -4.565 -3.599 1.00 61.31 C ATOM 1219 O SER A 73 -11.211 -5.157 -2.696 1.00 34.35 O ATOM 1220 CB SER A 73 -14.286 -4.867 -3.452 1.00 33.45 C ATOM 1221 OG SER A 73 -15.543 -4.208 -3.371 1.00 3.15 O ATOM 0 H SER A 73 -14.167 -2.888 -4.883 1.00 64.34 H new ATOM 0 HA SER A 73 -13.116 -3.457 -2.340 1.00 51.12 H new ATOM 0 HB2 SER A 73 -14.217 -5.411 -4.394 1.00 33.45 H new ATOM 0 HB3 SER A 73 -14.206 -5.603 -2.652 1.00 33.45 H new ATOM 0 HG SER A 73 -16.264 -4.868 -3.441 1.00 3.15 H new ATOM 1227 N THR A 74 -11.306 -4.489 -4.830 1.00 60.54 N ATOM 1228 CA THR A 74 -10.000 -5.030 -5.167 1.00 55.21 C ATOM 1229 C THR A 74 -8.897 -3.996 -4.901 1.00 62.44 C ATOM 1230 O THR A 74 -7.937 -4.256 -4.171 1.00 3.32 O ATOM 1231 CB THR A 74 -9.953 -5.450 -6.648 1.00 34.25 C ATOM 1232 OG1 THR A 74 -11.208 -6.027 -7.031 1.00 22.34 O ATOM 1233 CG2 THR A 74 -8.835 -6.453 -6.888 1.00 43.03 C ATOM 0 H THR A 74 -11.798 -4.057 -5.612 1.00 60.54 H new ATOM 0 HA THR A 74 -9.831 -5.904 -4.538 1.00 55.21 H new ATOM 0 HB THR A 74 -9.761 -4.563 -7.251 1.00 34.25 H new ATOM 0 HG1 THR A 74 -11.173 -6.291 -7.974 1.00 22.34 H new ATOM 0 HG21 THR A 74 -8.820 -6.736 -7.940 1.00 43.03 H new ATOM 0 HG22 THR A 74 -7.879 -6.003 -6.619 1.00 43.03 H new ATOM 0 HG23 THR A 74 -9.004 -7.339 -6.276 1.00 43.03 H new ATOM 1241 N ALA A 75 -9.075 -2.812 -5.478 1.00 54.54 N ATOM 1242 CA ALA A 75 -8.067 -1.756 -5.449 1.00 22.14 C ATOM 1243 C ALA A 75 -7.767 -1.276 -4.032 1.00 10.15 C ATOM 1244 O ALA A 75 -6.612 -1.049 -3.679 1.00 4.42 O ATOM 1245 CB ALA A 75 -8.528 -0.589 -6.309 1.00 44.23 C ATOM 0 H ALA A 75 -9.925 -2.556 -5.981 1.00 54.54 H new ATOM 0 HA ALA A 75 -7.142 -2.172 -5.848 1.00 22.14 H new ATOM 0 HB1 ALA A 75 -7.775 0.199 -6.287 1.00 44.23 H new ATOM 0 HB2 ALA A 75 -8.669 -0.927 -7.336 1.00 44.23 H new ATOM 0 HB3 ALA A 75 -9.470 -0.201 -5.922 1.00 44.23 H new ATOM 1251 N GLN A 76 -8.812 -1.124 -3.230 1.00 50.24 N ATOM 1252 CA GLN A 76 -8.693 -0.655 -1.857 1.00 4.32 C ATOM 1253 C GLN A 76 -7.791 -1.572 -1.035 1.00 70.50 C ATOM 1254 O GLN A 76 -7.056 -1.113 -0.162 1.00 22.01 O ATOM 1255 CB GLN A 76 -10.092 -0.585 -1.239 1.00 4.31 C ATOM 1256 CG GLN A 76 -10.885 0.687 -1.562 1.00 44.21 C ATOM 1257 CD GLN A 76 -10.427 1.397 -2.823 1.00 15.22 C ATOM 1258 OE1 GLN A 76 -10.897 1.112 -3.917 1.00 22.31 O ATOM 1259 NE2 GLN A 76 -9.515 2.346 -2.671 1.00 63.01 N ATOM 0 H GLN A 76 -9.771 -1.324 -3.515 1.00 50.24 H new ATOM 0 HA GLN A 76 -8.236 0.335 -1.856 1.00 4.32 H new ATOM 0 HB2 GLN A 76 -10.665 -1.448 -1.579 1.00 4.31 H new ATOM 0 HB3 GLN A 76 -9.998 -0.671 -0.156 1.00 4.31 H new ATOM 0 HG2 GLN A 76 -11.939 0.429 -1.665 1.00 44.21 H new ATOM 0 HG3 GLN A 76 -10.806 1.375 -0.721 1.00 44.21 H new ATOM 0 HE21 GLN A 76 -9.147 2.555 -1.743 1.00 63.01 H new ATOM 0 HE22 GLN A 76 -9.181 2.867 -3.482 1.00 63.01 H new ATOM 1268 N ARG A 77 -7.832 -2.865 -1.333 1.00 62.13 N ATOM 1269 CA ARG A 77 -7.033 -3.840 -0.600 1.00 3.55 C ATOM 1270 C ARG A 77 -5.584 -3.797 -1.066 1.00 71.04 C ATOM 1271 O ARG A 77 -4.664 -4.055 -0.291 1.00 74.10 O ATOM 1272 CB ARG A 77 -7.609 -5.255 -0.746 1.00 54.03 C ATOM 1273 CG ARG A 77 -8.826 -5.523 0.137 1.00 60.43 C ATOM 1274 CD ARG A 77 -9.941 -4.524 -0.120 1.00 2.23 C ATOM 1275 NE ARG A 77 -11.138 -4.784 0.672 1.00 70.13 N ATOM 1276 CZ ARG A 77 -12.247 -4.055 0.587 1.00 61.14 C ATOM 1277 NH1 ARG A 77 -12.295 -3.013 -0.233 1.00 4.53 N ATOM 1278 NH2 ARG A 77 -13.310 -4.365 1.313 1.00 20.04 N ATOM 0 H ARG A 77 -8.408 -3.262 -2.075 1.00 62.13 H new ATOM 0 HA ARG A 77 -7.066 -3.577 0.457 1.00 3.55 H new ATOM 0 HB2 ARG A 77 -7.885 -5.418 -1.788 1.00 54.03 H new ATOM 0 HB3 ARG A 77 -6.831 -5.980 -0.505 1.00 54.03 H new ATOM 0 HG2 ARG A 77 -9.193 -6.533 -0.047 1.00 60.43 H new ATOM 0 HG3 ARG A 77 -8.531 -5.477 1.185 1.00 60.43 H new ATOM 0 HD2 ARG A 77 -9.578 -3.520 0.100 1.00 2.23 H new ATOM 0 HD3 ARG A 77 -10.202 -4.544 -1.178 1.00 2.23 H new ATOM 0 HE ARG A 77 -11.124 -5.567 1.326 1.00 70.13 H new ATOM 0 HH11 ARG A 77 -11.481 -2.771 -0.798 1.00 4.53 H new ATOM 0 HH12 ARG A 77 -13.146 -2.454 -0.298 1.00 4.53 H new ATOM 0 HH21 ARG A 77 -13.281 -5.167 1.942 1.00 20.04 H new ATOM 0 HH22 ARG A 77 -14.157 -3.802 1.243 1.00 20.04 H new ATOM 1292 N ASN A 78 -5.382 -3.449 -2.333 1.00 31.13 N ATOM 1293 CA ASN A 78 -4.048 -3.291 -2.868 1.00 53.43 C ATOM 1294 C ASN A 78 -3.425 -2.003 -2.343 1.00 21.35 C ATOM 1295 O ASN A 78 -2.278 -1.988 -1.918 1.00 32.25 O ATOM 1296 CB ASN A 78 -4.100 -3.281 -4.390 1.00 12.32 C ATOM 1297 CG ASN A 78 -2.728 -3.240 -5.012 1.00 4.44 C ATOM 1298 OD1 ASN A 78 -1.757 -3.757 -4.458 1.00 13.53 O ATOM 1299 ND2 ASN A 78 -2.638 -2.620 -6.168 1.00 23.45 N ATOM 0 H ASN A 78 -6.130 -3.272 -3.003 1.00 31.13 H new ATOM 0 HA ASN A 78 -3.430 -4.129 -2.546 1.00 53.43 H new ATOM 0 HB2 ASN A 78 -4.627 -4.169 -4.739 1.00 12.32 H new ATOM 0 HB3 ASN A 78 -4.674 -2.417 -4.725 1.00 12.32 H new ATOM 0 HD21 ASN A 78 -1.737 -2.553 -6.642 1.00 23.45 H new ATOM 0 HD22 ASN A 78 -3.469 -2.206 -6.591 1.00 23.45 H new ATOM 1306 N LEU A 79 -4.207 -0.930 -2.343 1.00 35.55 N ATOM 1307 CA LEU A 79 -3.753 0.347 -1.796 1.00 73.31 C ATOM 1308 C LEU A 79 -3.383 0.196 -0.327 1.00 63.42 C ATOM 1309 O LEU A 79 -2.480 0.870 0.170 1.00 12.41 O ATOM 1310 CB LEU A 79 -4.831 1.425 -1.951 1.00 34.32 C ATOM 1311 CG LEU A 79 -5.036 1.954 -3.371 1.00 45.13 C ATOM 1312 CD1 LEU A 79 -6.162 2.976 -3.405 1.00 42.54 C ATOM 1313 CD2 LEU A 79 -3.745 2.563 -3.898 1.00 45.12 C ATOM 0 H LEU A 79 -5.157 -0.917 -2.714 1.00 35.55 H new ATOM 0 HA LEU A 79 -2.870 0.655 -2.356 1.00 73.31 H new ATOM 0 HB2 LEU A 79 -5.778 1.021 -1.593 1.00 34.32 H new ATOM 0 HB3 LEU A 79 -4.577 2.264 -1.303 1.00 34.32 H new ATOM 0 HG LEU A 79 -5.314 1.119 -4.014 1.00 45.13 H new ATOM 0 HD11 LEU A 79 -6.292 3.340 -4.424 1.00 42.54 H new ATOM 0 HD12 LEU A 79 -7.087 2.510 -3.065 1.00 42.54 H new ATOM 0 HD13 LEU A 79 -5.915 3.811 -2.750 1.00 42.54 H new ATOM 0 HD21 LEU A 79 -3.905 2.936 -4.910 1.00 45.12 H new ATOM 0 HD22 LEU A 79 -3.441 3.386 -3.252 1.00 45.12 H new ATOM 0 HD23 LEU A 79 -2.963 1.804 -3.910 1.00 45.12 H new ATOM 1325 N SER A 80 -4.085 -0.696 0.361 1.00 11.24 N ATOM 1326 CA SER A 80 -3.795 -0.985 1.762 1.00 61.13 C ATOM 1327 C SER A 80 -2.365 -1.504 1.964 1.00 34.34 C ATOM 1328 O SER A 80 -1.789 -1.321 3.036 1.00 0.10 O ATOM 1329 CB SER A 80 -4.805 -1.992 2.320 1.00 71.34 C ATOM 1330 OG SER A 80 -6.118 -1.451 2.337 1.00 75.21 O ATOM 0 H SER A 80 -4.860 -1.233 -0.028 1.00 11.24 H new ATOM 0 HA SER A 80 -3.882 -0.046 2.308 1.00 61.13 H new ATOM 0 HB2 SER A 80 -4.791 -2.898 1.714 1.00 71.34 H new ATOM 0 HB3 SER A 80 -4.515 -2.279 3.331 1.00 71.34 H new ATOM 0 HG SER A 80 -6.544 -1.599 1.467 1.00 75.21 H new ATOM 1336 N THR A 81 -1.779 -2.131 0.941 1.00 64.02 N ATOM 1337 CA THR A 81 -0.432 -2.677 1.073 1.00 73.05 C ATOM 1338 C THR A 81 0.590 -1.534 1.130 1.00 71.23 C ATOM 1339 O THR A 81 1.573 -1.601 1.867 1.00 75.51 O ATOM 1340 CB THR A 81 -0.091 -3.679 -0.071 1.00 52.12 C ATOM 1341 OG1 THR A 81 0.902 -4.612 0.370 1.00 3.40 O ATOM 1342 CG2 THR A 81 0.431 -2.979 -1.322 1.00 34.34 C ATOM 0 H THR A 81 -2.210 -2.270 0.027 1.00 64.02 H new ATOM 0 HA THR A 81 -0.387 -3.241 2.005 1.00 73.05 H new ATOM 0 HB THR A 81 -1.020 -4.191 -0.323 1.00 52.12 H new ATOM 0 HG1 THR A 81 0.544 -5.522 0.313 1.00 3.40 H new ATOM 0 HG21 THR A 81 0.654 -3.722 -2.088 1.00 34.34 H new ATOM 0 HG22 THR A 81 -0.325 -2.288 -1.695 1.00 34.34 H new ATOM 0 HG23 THR A 81 1.338 -2.426 -1.078 1.00 34.34 H new ATOM 1350 N ILE A 82 0.333 -0.476 0.364 1.00 33.01 N ATOM 1351 CA ILE A 82 1.163 0.721 0.404 1.00 40.14 C ATOM 1352 C ILE A 82 0.850 1.527 1.661 1.00 63.52 C ATOM 1353 O ILE A 82 1.730 2.166 2.242 1.00 13.13 O ATOM 1354 CB ILE A 82 0.958 1.595 -0.862 1.00 41.54 C ATOM 1355 CG1 ILE A 82 1.455 0.847 -2.106 1.00 60.53 C ATOM 1356 CG2 ILE A 82 1.675 2.937 -0.729 1.00 73.52 C ATOM 1357 CD1 ILE A 82 1.088 1.528 -3.409 1.00 10.00 C ATOM 0 H ILE A 82 -0.446 -0.426 -0.293 1.00 33.01 H new ATOM 0 HA ILE A 82 2.207 0.410 0.426 1.00 40.14 H new ATOM 0 HB ILE A 82 -0.109 1.793 -0.968 1.00 41.54 H new ATOM 0 HG12 ILE A 82 2.539 0.747 -2.051 1.00 60.53 H new ATOM 0 HG13 ILE A 82 1.041 -0.161 -2.103 1.00 60.53 H new ATOM 0 HG21 ILE A 82 1.513 3.527 -1.631 1.00 73.52 H new ATOM 0 HG22 ILE A 82 1.281 3.476 0.133 1.00 73.52 H new ATOM 0 HG23 ILE A 82 2.743 2.767 -0.594 1.00 73.52 H new ATOM 0 HD11 ILE A 82 1.471 0.944 -4.245 1.00 10.00 H new ATOM 0 HD12 ILE A 82 0.003 1.604 -3.487 1.00 10.00 H new ATOM 0 HD13 ILE A 82 1.525 2.526 -3.433 1.00 10.00 H new ATOM 1369 N LYS A 83 -0.409 1.467 2.086 1.00 1.23 N ATOM 1370 CA LYS A 83 -0.856 2.163 3.286 1.00 60.20 C ATOM 1371 C LYS A 83 -0.042 1.731 4.492 1.00 1.31 C ATOM 1372 O LYS A 83 0.263 2.547 5.349 1.00 3.15 O ATOM 1373 CB LYS A 83 -2.337 1.893 3.550 1.00 13.11 C ATOM 1374 CG LYS A 83 -2.977 2.903 4.490 1.00 2.43 C ATOM 1375 CD LYS A 83 -3.954 2.239 5.446 1.00 44.50 C ATOM 1376 CE LYS A 83 -4.825 3.266 6.152 1.00 1.53 C ATOM 1377 NZ LYS A 83 -5.513 2.698 7.342 1.00 72.04 N ATOM 0 H LYS A 83 -1.142 0.939 1.612 1.00 1.23 H new ATOM 0 HA LYS A 83 -0.713 3.231 3.122 1.00 60.20 H new ATOM 0 HB2 LYS A 83 -2.874 1.899 2.602 1.00 13.11 H new ATOM 0 HB3 LYS A 83 -2.447 0.894 3.972 1.00 13.11 H new ATOM 0 HG2 LYS A 83 -2.200 3.413 5.059 1.00 2.43 H new ATOM 0 HG3 LYS A 83 -3.497 3.664 3.908 1.00 2.43 H new ATOM 0 HD2 LYS A 83 -4.585 1.541 4.896 1.00 44.50 H new ATOM 0 HD3 LYS A 83 -3.403 1.657 6.185 1.00 44.50 H new ATOM 0 HE2 LYS A 83 -4.210 4.111 6.460 1.00 1.53 H new ATOM 0 HE3 LYS A 83 -5.569 3.650 5.454 1.00 1.53 H new ATOM 0 HZ1 LYS A 83 -6.095 3.434 7.791 1.00 72.04 H new ATOM 0 HZ2 LYS A 83 -6.121 1.908 7.047 1.00 72.04 H new ATOM 0 HZ3 LYS A 83 -4.805 2.355 8.022 1.00 72.04 H new ATOM 1391 N ILE A 84 0.314 0.454 4.550 1.00 30.02 N ATOM 1392 CA ILE A 84 1.133 -0.057 5.644 1.00 22.11 C ATOM 1393 C ILE A 84 2.468 0.683 5.708 1.00 32.44 C ATOM 1394 O ILE A 84 2.938 1.042 6.787 1.00 32.42 O ATOM 1395 CB ILE A 84 1.395 -1.572 5.494 1.00 13.41 C ATOM 1396 CG1 ILE A 84 0.070 -2.334 5.415 1.00 34.21 C ATOM 1397 CG2 ILE A 84 2.234 -2.088 6.656 1.00 11.33 C ATOM 1398 CD1 ILE A 84 0.227 -3.822 5.175 1.00 62.50 C ATOM 0 H ILE A 84 0.050 -0.245 3.856 1.00 30.02 H new ATOM 0 HA ILE A 84 0.580 0.111 6.568 1.00 22.11 H new ATOM 0 HB ILE A 84 1.949 -1.737 4.570 1.00 13.41 H new ATOM 0 HG12 ILE A 84 -0.480 -2.182 6.344 1.00 34.21 H new ATOM 0 HG13 ILE A 84 -0.534 -1.909 4.614 1.00 34.21 H new ATOM 0 HG21 ILE A 84 2.408 -3.157 6.533 1.00 11.33 H new ATOM 0 HG22 ILE A 84 3.190 -1.565 6.675 1.00 11.33 H new ATOM 0 HG23 ILE A 84 1.705 -1.912 7.593 1.00 11.33 H new ATOM 0 HD11 ILE A 84 -0.757 -4.289 5.132 1.00 62.50 H new ATOM 0 HD12 ILE A 84 0.748 -3.985 4.232 1.00 62.50 H new ATOM 0 HD13 ILE A 84 0.803 -4.263 5.989 1.00 62.50 H new ATOM 1410 N TYR A 85 3.055 0.938 4.544 1.00 30.03 N ATOM 1411 CA TYR A 85 4.332 1.640 4.465 1.00 24.42 C ATOM 1412 C TYR A 85 4.144 3.097 4.862 1.00 61.12 C ATOM 1413 O TYR A 85 4.890 3.633 5.681 1.00 4.50 O ATOM 1414 CB TYR A 85 4.899 1.553 3.044 1.00 65.30 C ATOM 1415 CG TYR A 85 6.301 2.102 2.902 1.00 1.22 C ATOM 1416 CD1 TYR A 85 7.402 1.331 3.249 1.00 45.35 C ATOM 1417 CD2 TYR A 85 6.526 3.385 2.415 1.00 25.11 C ATOM 1418 CE1 TYR A 85 8.685 1.819 3.117 1.00 72.43 C ATOM 1419 CE2 TYR A 85 7.811 3.881 2.282 1.00 52.55 C ATOM 1420 CZ TYR A 85 8.886 3.092 2.635 1.00 1.13 C ATOM 1421 OH TYR A 85 10.167 3.573 2.502 1.00 62.11 O ATOM 0 H TYR A 85 2.666 0.669 3.640 1.00 30.03 H new ATOM 0 HA TYR A 85 5.036 1.170 5.151 1.00 24.42 H new ATOM 0 HB2 TYR A 85 4.895 0.510 2.726 1.00 65.30 H new ATOM 0 HB3 TYR A 85 4.238 2.095 2.367 1.00 65.30 H new ATOM 0 HD1 TYR A 85 7.251 0.331 3.629 1.00 45.35 H new ATOM 0 HD2 TYR A 85 5.686 4.003 2.136 1.00 25.11 H new ATOM 0 HE1 TYR A 85 9.529 1.204 3.391 1.00 72.43 H new ATOM 0 HE2 TYR A 85 7.971 4.880 1.904 1.00 52.55 H new ATOM 0 HH TYR A 85 10.138 4.486 2.148 1.00 62.11 H new ATOM 1431 N VAL A 86 3.130 3.721 4.280 1.00 13.13 N ATOM 1432 CA VAL A 86 2.808 5.112 4.566 1.00 64.31 C ATOM 1433 C VAL A 86 2.487 5.297 6.044 1.00 44.22 C ATOM 1434 O VAL A 86 3.037 6.170 6.705 1.00 33.42 O ATOM 1435 CB VAL A 86 1.606 5.579 3.722 1.00 41.45 C ATOM 1436 CG1 VAL A 86 1.248 7.027 4.030 1.00 22.34 C ATOM 1437 CG2 VAL A 86 1.896 5.404 2.243 1.00 31.21 C ATOM 0 H VAL A 86 2.510 3.281 3.600 1.00 13.13 H new ATOM 0 HA VAL A 86 3.680 5.714 4.310 1.00 64.31 H new ATOM 0 HB VAL A 86 0.749 4.959 3.984 1.00 41.45 H new ATOM 0 HG11 VAL A 86 0.397 7.329 3.420 1.00 22.34 H new ATOM 0 HG12 VAL A 86 0.990 7.122 5.085 1.00 22.34 H new ATOM 0 HG13 VAL A 86 2.101 7.668 3.806 1.00 22.34 H new ATOM 0 HG21 VAL A 86 1.037 5.739 1.662 1.00 31.21 H new ATOM 0 HG22 VAL A 86 2.770 5.995 1.971 1.00 31.21 H new ATOM 0 HG23 VAL A 86 2.089 4.352 2.032 1.00 31.21 H new ATOM 1447 N SER A 87 1.610 4.446 6.548 1.00 43.23 N ATOM 1448 CA SER A 87 1.188 4.491 7.937 1.00 54.20 C ATOM 1449 C SER A 87 2.359 4.241 8.891 1.00 1.41 C ATOM 1450 O SER A 87 2.461 4.882 9.938 1.00 22.32 O ATOM 1451 CB SER A 87 0.054 3.481 8.154 1.00 22.23 C ATOM 1452 OG SER A 87 -1.207 4.067 7.870 1.00 12.51 O ATOM 0 H SER A 87 1.170 3.703 6.005 1.00 43.23 H new ATOM 0 HA SER A 87 0.817 5.491 8.162 1.00 54.20 H new ATOM 0 HB2 SER A 87 0.208 2.612 7.514 1.00 22.23 H new ATOM 0 HB3 SER A 87 0.071 3.125 9.184 1.00 22.23 H new ATOM 0 HG SER A 87 -1.915 3.405 8.013 1.00 12.51 H new ATOM 1458 N ALA A 88 3.258 3.332 8.520 1.00 23.13 N ATOM 1459 CA ALA A 88 4.463 3.093 9.308 1.00 14.42 C ATOM 1460 C ALA A 88 5.353 4.331 9.290 1.00 64.00 C ATOM 1461 O ALA A 88 5.973 4.687 10.294 1.00 71.44 O ATOM 1462 CB ALA A 88 5.218 1.882 8.781 1.00 64.20 C ATOM 0 H ALA A 88 3.175 2.753 7.684 1.00 23.13 H new ATOM 0 HA ALA A 88 4.171 2.887 10.338 1.00 14.42 H new ATOM 0 HB1 ALA A 88 6.113 1.721 9.382 1.00 64.20 H new ATOM 0 HB2 ALA A 88 4.579 1.001 8.839 1.00 64.20 H new ATOM 0 HB3 ALA A 88 5.504 2.055 7.744 1.00 64.20 H new ATOM 1468 N ALA A 89 5.387 4.997 8.143 1.00 3.34 N ATOM 1469 CA ALA A 89 6.148 6.230 7.985 1.00 62.11 C ATOM 1470 C ALA A 89 5.533 7.365 8.790 1.00 0.05 C ATOM 1471 O ALA A 89 6.208 8.333 9.122 1.00 75.21 O ATOM 1472 CB ALA A 89 6.252 6.611 6.516 1.00 14.14 C ATOM 0 H ALA A 89 4.892 4.701 7.302 1.00 3.34 H new ATOM 0 HA ALA A 89 7.153 6.054 8.369 1.00 62.11 H new ATOM 0 HB1 ALA A 89 6.824 7.534 6.419 1.00 14.14 H new ATOM 0 HB2 ALA A 89 6.754 5.814 5.968 1.00 14.14 H new ATOM 0 HB3 ALA A 89 5.253 6.759 6.107 1.00 14.14 H new ATOM 1478 N ILE A 90 4.251 7.257 9.080 1.00 34.11 N ATOM 1479 CA ILE A 90 3.582 8.240 9.915 1.00 55.14 C ATOM 1480 C ILE A 90 3.883 7.972 11.385 1.00 1.33 C ATOM 1481 O ILE A 90 4.087 8.897 12.171 1.00 62.23 O ATOM 1482 CB ILE A 90 2.051 8.215 9.704 1.00 31.34 C ATOM 1483 CG1 ILE A 90 1.713 8.398 8.225 1.00 31.41 C ATOM 1484 CG2 ILE A 90 1.377 9.299 10.536 1.00 11.00 C ATOM 1485 CD1 ILE A 90 0.258 8.145 7.902 1.00 0.24 C ATOM 0 H ILE A 90 3.651 6.500 8.751 1.00 34.11 H new ATOM 0 HA ILE A 90 3.958 9.222 9.629 1.00 55.14 H new ATOM 0 HB ILE A 90 1.677 7.245 10.031 1.00 31.34 H new ATOM 0 HG12 ILE A 90 1.972 9.413 7.924 1.00 31.41 H new ATOM 0 HG13 ILE A 90 2.331 7.723 7.633 1.00 31.41 H new ATOM 0 HG21 ILE A 90 0.300 9.265 10.374 1.00 11.00 H new ATOM 0 HG22 ILE A 90 1.590 9.133 11.592 1.00 11.00 H new ATOM 0 HG23 ILE A 90 1.758 10.276 10.238 1.00 11.00 H new ATOM 0 HD11 ILE A 90 0.091 8.293 6.835 1.00 0.24 H new ATOM 0 HD12 ILE A 90 -0.002 7.121 8.171 1.00 0.24 H new ATOM 0 HD13 ILE A 90 -0.366 8.838 8.467 1.00 0.24 H new ATOM 1497 N LYS A 91 3.918 6.697 11.745 1.00 73.34 N ATOM 1498 CA LYS A 91 4.095 6.302 13.134 1.00 53.53 C ATOM 1499 C LYS A 91 5.557 6.438 13.569 1.00 55.31 C ATOM 1500 O LYS A 91 5.841 6.970 14.641 1.00 11.13 O ATOM 1501 CB LYS A 91 3.613 4.857 13.320 1.00 11.42 C ATOM 1502 CG LYS A 91 3.123 4.530 14.727 1.00 70.01 C ATOM 1503 CD LYS A 91 4.258 4.486 15.738 1.00 11.12 C ATOM 1504 CE LYS A 91 3.739 4.189 17.133 1.00 52.40 C ATOM 1505 NZ LYS A 91 4.831 4.131 18.139 1.00 3.31 N ATOM 0 H LYS A 91 3.826 5.918 11.093 1.00 73.34 H new ATOM 0 HA LYS A 91 3.502 6.967 13.762 1.00 53.53 H new ATOM 0 HB2 LYS A 91 2.806 4.663 12.614 1.00 11.42 H new ATOM 0 HB3 LYS A 91 4.429 4.180 13.066 1.00 11.42 H new ATOM 0 HG2 LYS A 91 2.392 5.276 15.037 1.00 70.01 H new ATOM 0 HG3 LYS A 91 2.611 3.568 14.717 1.00 70.01 H new ATOM 0 HD2 LYS A 91 4.980 3.723 15.446 1.00 11.12 H new ATOM 0 HD3 LYS A 91 4.785 5.440 15.739 1.00 11.12 H new ATOM 0 HE2 LYS A 91 3.021 4.957 17.423 1.00 52.40 H new ATOM 0 HE3 LYS A 91 3.204 3.239 17.125 1.00 52.40 H new ATOM 0 HZ1 LYS A 91 4.429 3.926 19.076 1.00 3.31 H new ATOM 0 HZ2 LYS A 91 5.503 3.381 17.879 1.00 3.31 H new ATOM 0 HZ3 LYS A 91 5.326 5.045 18.167 1.00 3.31 H new ATOM 1519 N LYS A 92 6.482 5.975 12.735 1.00 32.32 N ATOM 1520 CA LYS A 92 7.893 5.960 13.105 1.00 12.30 C ATOM 1521 C LYS A 92 8.794 6.330 11.926 1.00 21.23 C ATOM 1522 O LYS A 92 9.940 5.882 11.838 1.00 52.11 O ATOM 1523 CB LYS A 92 8.263 4.577 13.641 1.00 13.11 C ATOM 1524 CG LYS A 92 7.865 3.428 12.728 1.00 13.44 C ATOM 1525 CD LYS A 92 8.199 2.076 13.343 1.00 32.54 C ATOM 1526 CE LYS A 92 9.697 1.904 13.549 1.00 33.32 C ATOM 1527 NZ LYS A 92 10.030 0.581 14.136 1.00 4.22 N ATOM 0 H LYS A 92 6.283 5.608 11.805 1.00 32.32 H new ATOM 0 HA LYS A 92 8.049 6.710 13.880 1.00 12.30 H new ATOM 0 HB2 LYS A 92 9.340 4.539 13.805 1.00 13.11 H new ATOM 0 HB3 LYS A 92 7.787 4.437 14.612 1.00 13.11 H new ATOM 0 HG2 LYS A 92 6.796 3.480 12.523 1.00 13.44 H new ATOM 0 HG3 LYS A 92 8.378 3.529 11.772 1.00 13.44 H new ATOM 0 HD2 LYS A 92 7.687 1.975 14.300 1.00 32.54 H new ATOM 0 HD3 LYS A 92 7.827 1.281 12.697 1.00 32.54 H new ATOM 0 HE2 LYS A 92 10.209 2.016 12.594 1.00 33.32 H new ATOM 0 HE3 LYS A 92 10.066 2.694 14.203 1.00 33.32 H new ATOM 0 HZ1 LYS A 92 11.060 0.505 14.260 1.00 4.22 H new ATOM 0 HZ2 LYS A 92 9.562 0.483 15.060 1.00 4.22 H new ATOM 0 HZ3 LYS A 92 9.701 -0.174 13.500 1.00 4.22 H new ATOM 1541 N GLY A 93 8.291 7.179 11.042 1.00 20.33 N ATOM 1542 CA GLY A 93 9.066 7.575 9.882 1.00 41.15 C ATOM 1543 C GLY A 93 9.302 9.072 9.818 1.00 62.33 C ATOM 1544 O GLY A 93 10.210 9.595 10.463 1.00 74.11 O ATOM 0 H GLY A 93 7.364 7.600 11.106 1.00 20.33 H new ATOM 0 HA2 GLY A 93 10.027 7.060 9.899 1.00 41.15 H new ATOM 0 HA3 GLY A 93 8.549 7.254 8.978 1.00 41.15 H new ATOM 1548 N TYR A 94 8.476 9.759 9.042 1.00 43.41 N ATOM 1549 CA TYR A 94 8.628 11.189 8.825 1.00 15.13 C ATOM 1550 C TYR A 94 7.273 11.854 8.608 1.00 3.41 C ATOM 1551 O TYR A 94 7.078 13.012 8.974 1.00 22.24 O ATOM 1552 CB TYR A 94 9.519 11.437 7.608 1.00 45.24 C ATOM 1553 CG TYR A 94 9.890 12.892 7.407 1.00 64.33 C ATOM 1554 CD1 TYR A 94 11.002 13.439 8.035 1.00 14.24 C ATOM 1555 CD2 TYR A 94 9.116 13.721 6.603 1.00 41.41 C ATOM 1556 CE1 TYR A 94 11.333 14.774 7.866 1.00 3.22 C ATOM 1557 CE2 TYR A 94 9.441 15.051 6.427 1.00 11.34 C ATOM 1558 CZ TYR A 94 10.547 15.575 7.059 1.00 21.53 C ATOM 1559 OH TYR A 94 10.862 16.907 6.891 1.00 52.13 O ATOM 0 H TYR A 94 7.686 9.343 8.548 1.00 43.41 H new ATOM 0 HA TYR A 94 9.089 11.622 9.713 1.00 15.13 H new ATOM 0 HB2 TYR A 94 10.432 10.850 7.712 1.00 45.24 H new ATOM 0 HB3 TYR A 94 9.008 11.076 6.716 1.00 45.24 H new ATOM 0 HD1 TYR A 94 11.618 12.814 8.665 1.00 14.24 H new ATOM 0 HD2 TYR A 94 8.245 13.317 6.108 1.00 41.41 H new ATOM 0 HE1 TYR A 94 12.200 15.186 8.362 1.00 3.22 H new ATOM 0 HE2 TYR A 94 8.830 15.679 5.796 1.00 11.34 H new ATOM 0 HH TYR A 94 10.208 17.325 6.292 1.00 52.13 H new ATOM 1569 N MET A 95 6.352 11.113 7.999 1.00 33.11 N ATOM 1570 CA MET A 95 5.028 11.626 7.670 1.00 55.23 C ATOM 1571 C MET A 95 4.347 12.227 8.892 1.00 4.54 C ATOM 1572 O MET A 95 4.310 11.615 9.962 1.00 35.14 O ATOM 1573 CB MET A 95 4.166 10.511 7.084 1.00 41.44 C ATOM 1574 CG MET A 95 4.667 9.996 5.747 1.00 12.53 C ATOM 1575 SD MET A 95 4.715 11.281 4.487 1.00 51.20 S ATOM 1576 CE MET A 95 2.969 11.643 4.298 1.00 33.03 C ATOM 0 H MET A 95 6.503 10.143 7.721 1.00 33.11 H new ATOM 0 HA MET A 95 5.147 12.417 6.929 1.00 55.23 H new ATOM 0 HB2 MET A 95 4.127 9.683 7.792 1.00 41.44 H new ATOM 0 HB3 MET A 95 3.146 10.876 6.964 1.00 41.44 H new ATOM 0 HG2 MET A 95 5.666 9.578 5.873 1.00 12.53 H new ATOM 0 HG3 MET A 95 4.022 9.184 5.409 1.00 12.53 H new ATOM 0 HE1 MET A 95 2.811 12.198 3.373 1.00 33.03 H new ATOM 0 HE2 MET A 95 2.406 10.710 4.262 1.00 33.03 H new ATOM 0 HE3 MET A 95 2.628 12.241 5.143 1.00 33.03 H new ATOM 1586 N GLU A 96 3.816 13.427 8.722 1.00 75.15 N ATOM 1587 CA GLU A 96 3.199 14.153 9.816 1.00 53.51 C ATOM 1588 C GLU A 96 1.803 13.605 10.091 1.00 63.13 C ATOM 1589 O GLU A 96 1.440 13.344 11.239 1.00 33.10 O ATOM 1590 CB GLU A 96 3.141 15.642 9.475 1.00 11.34 C ATOM 1591 CG GLU A 96 2.770 16.531 10.647 1.00 30.34 C ATOM 1592 CD GLU A 96 2.893 18.002 10.312 1.00 0.34 C ATOM 1593 OE1 GLU A 96 4.013 18.453 10.011 1.00 73.14 O ATOM 1594 OE2 GLU A 96 1.871 18.716 10.340 1.00 73.35 O ATOM 0 H GLU A 96 3.801 13.920 7.829 1.00 75.15 H new ATOM 0 HA GLU A 96 3.797 14.024 10.718 1.00 53.51 H new ATOM 0 HB2 GLU A 96 4.112 15.954 9.089 1.00 11.34 H new ATOM 0 HB3 GLU A 96 2.417 15.793 8.675 1.00 11.34 H new ATOM 0 HG2 GLU A 96 1.747 16.315 10.955 1.00 30.34 H new ATOM 0 HG3 GLU A 96 3.414 16.298 11.495 1.00 30.34 H new ATOM 1601 N ASN A 97 1.033 13.413 9.028 1.00 40.21 N ATOM 1602 CA ASN A 97 -0.322 12.895 9.144 1.00 23.55 C ATOM 1603 C ASN A 97 -0.612 11.934 8.005 1.00 74.41 C ATOM 1604 O ASN A 97 0.189 11.794 7.079 1.00 75.13 O ATOM 1605 CB ASN A 97 -1.362 14.025 9.125 1.00 51.51 C ATOM 1606 CG ASN A 97 -1.244 14.971 10.303 1.00 13.04 C ATOM 1607 OD1 ASN A 97 -0.585 16.007 10.222 1.00 12.02 O ATOM 1608 ND2 ASN A 97 -1.877 14.621 11.413 1.00 22.10 N ATOM 0 H ASN A 97 1.327 13.610 8.071 1.00 40.21 H new ATOM 0 HA ASN A 97 -0.393 12.375 10.099 1.00 23.55 H new ATOM 0 HB2 ASN A 97 -1.254 14.592 8.201 1.00 51.51 H new ATOM 0 HB3 ASN A 97 -2.361 13.589 9.117 1.00 51.51 H new ATOM 0 HD21 ASN A 97 -1.828 15.218 12.238 1.00 22.10 H new ATOM 0 HD22 ASN A 97 -2.414 13.754 11.442 1.00 22.10 H new ATOM 1615 N ASP A 98 -1.755 11.278 8.082 1.00 73.21 N ATOM 1616 CA ASP A 98 -2.190 10.355 7.057 1.00 32.41 C ATOM 1617 C ASP A 98 -2.919 11.095 5.941 1.00 25.14 C ATOM 1618 O ASP A 98 -3.645 12.057 6.192 1.00 0.15 O ATOM 1619 CB ASP A 98 -3.095 9.287 7.671 1.00 5.54 C ATOM 1620 CG ASP A 98 -4.157 9.858 8.590 1.00 5.21 C ATOM 1621 OD1 ASP A 98 -3.796 10.444 9.635 1.00 54.25 O ATOM 1622 OD2 ASP A 98 -5.357 9.719 8.276 1.00 22.42 O ATOM 0 H ASP A 98 -2.408 11.372 8.860 1.00 73.21 H new ATOM 0 HA ASP A 98 -1.314 9.871 6.626 1.00 32.41 H new ATOM 0 HB2 ASP A 98 -3.579 8.727 6.871 1.00 5.54 H new ATOM 0 HB3 ASP A 98 -2.483 8.579 8.230 1.00 5.54 H new ATOM 1627 N PRO A 99 -2.743 10.644 4.691 1.00 11.43 N ATOM 1628 CA PRO A 99 -3.278 11.336 3.514 1.00 23.12 C ATOM 1629 C PRO A 99 -4.777 11.126 3.304 1.00 65.51 C ATOM 1630 O PRO A 99 -5.369 11.722 2.408 1.00 33.04 O ATOM 1631 CB PRO A 99 -2.488 10.712 2.366 1.00 52.31 C ATOM 1632 CG PRO A 99 -2.173 9.334 2.832 1.00 53.11 C ATOM 1633 CD PRO A 99 -1.989 9.430 4.322 1.00 5.13 C ATOM 0 HA PRO A 99 -3.173 12.417 3.606 1.00 23.12 H new ATOM 0 HB2 PRO A 99 -3.072 10.695 1.446 1.00 52.31 H new ATOM 0 HB3 PRO A 99 -1.580 11.277 2.157 1.00 52.31 H new ATOM 0 HG2 PRO A 99 -2.979 8.644 2.582 1.00 53.11 H new ATOM 0 HG3 PRO A 99 -1.270 8.957 2.351 1.00 53.11 H new ATOM 0 HD2 PRO A 99 -2.377 8.548 4.831 1.00 5.13 H new ATOM 0 HD3 PRO A 99 -0.936 9.516 4.591 1.00 5.13 H new ATOM 1641 N PHE A 100 -5.393 10.288 4.125 1.00 14.23 N ATOM 1642 CA PHE A 100 -6.815 10.000 3.967 1.00 44.54 C ATOM 1643 C PHE A 100 -7.647 10.749 4.990 1.00 54.53 C ATOM 1644 O PHE A 100 -8.876 10.651 5.021 1.00 15.02 O ATOM 1645 CB PHE A 100 -7.079 8.505 4.056 1.00 20.13 C ATOM 1646 CG PHE A 100 -6.675 7.845 5.344 1.00 72.35 C ATOM 1647 CD1 PHE A 100 -5.402 7.321 5.499 1.00 34.13 C ATOM 1648 CD2 PHE A 100 -7.578 7.720 6.388 1.00 63.45 C ATOM 1649 CE1 PHE A 100 -5.036 6.693 6.673 1.00 63.31 C ATOM 1650 CE2 PHE A 100 -7.217 7.089 7.562 1.00 11.53 C ATOM 1651 CZ PHE A 100 -5.944 6.575 7.704 1.00 61.52 C ATOM 0 H PHE A 100 -4.940 9.800 4.898 1.00 14.23 H new ATOM 0 HA PHE A 100 -7.112 10.344 2.976 1.00 44.54 H new ATOM 0 HB2 PHE A 100 -8.144 8.333 3.900 1.00 20.13 H new ATOM 0 HB3 PHE A 100 -6.554 8.013 3.237 1.00 20.13 H new ATOM 0 HD1 PHE A 100 -4.688 7.405 4.693 1.00 34.13 H new ATOM 0 HD2 PHE A 100 -8.575 8.121 6.282 1.00 63.45 H new ATOM 0 HE1 PHE A 100 -4.038 6.294 6.784 1.00 63.31 H new ATOM 0 HE2 PHE A 100 -7.930 6.998 8.368 1.00 11.53 H new ATOM 0 HZ PHE A 100 -5.659 6.081 8.621 1.00 61.52 H new ATOM 1661 N LYS A 101 -6.958 11.499 5.817 1.00 73.43 N ATOM 1662 CA LYS A 101 -7.587 12.364 6.797 1.00 30.35 C ATOM 1663 C LYS A 101 -8.556 13.332 6.121 1.00 41.41 C ATOM 1664 O LYS A 101 -9.680 13.521 6.576 1.00 71.21 O ATOM 1665 CB LYS A 101 -6.520 13.155 7.549 1.00 54.42 C ATOM 1666 CG LYS A 101 -6.212 12.653 8.958 1.00 22.51 C ATOM 1667 CD LYS A 101 -7.465 12.430 9.800 1.00 50.43 C ATOM 1668 CE LYS A 101 -8.021 11.022 9.619 1.00 73.12 C ATOM 1669 NZ LYS A 101 -9.157 10.743 10.535 1.00 55.12 N ATOM 0 H LYS A 101 -5.939 11.529 5.832 1.00 73.43 H new ATOM 0 HA LYS A 101 -8.145 11.742 7.497 1.00 30.35 H new ATOM 0 HB2 LYS A 101 -5.600 13.139 6.965 1.00 54.42 H new ATOM 0 HB3 LYS A 101 -6.839 14.195 7.613 1.00 54.42 H new ATOM 0 HG2 LYS A 101 -5.655 11.718 8.891 1.00 22.51 H new ATOM 0 HG3 LYS A 101 -5.567 13.373 9.461 1.00 22.51 H new ATOM 0 HD2 LYS A 101 -7.232 12.597 10.852 1.00 50.43 H new ATOM 0 HD3 LYS A 101 -8.225 13.160 9.522 1.00 50.43 H new ATOM 0 HE2 LYS A 101 -8.349 10.893 8.587 1.00 73.12 H new ATOM 0 HE3 LYS A 101 -7.228 10.295 9.795 1.00 73.12 H new ATOM 0 HZ1 LYS A 101 -9.502 9.775 10.376 1.00 55.12 H new ATOM 0 HZ2 LYS A 101 -8.840 10.840 11.521 1.00 55.12 H new ATOM 0 HZ3 LYS A 101 -9.926 11.419 10.351 1.00 55.12 H new ATOM 1683 N ASP A 102 -8.107 13.917 5.017 1.00 65.03 N ATOM 1684 CA ASP A 102 -8.885 14.916 4.284 1.00 63.20 C ATOM 1685 C ASP A 102 -9.423 14.309 2.990 1.00 25.11 C ATOM 1686 O ASP A 102 -9.846 15.012 2.073 1.00 24.41 O ATOM 1687 CB ASP A 102 -7.989 16.124 3.986 1.00 52.25 C ATOM 1688 CG ASP A 102 -8.740 17.341 3.465 1.00 13.25 C ATOM 1689 OD1 ASP A 102 -9.298 18.101 4.283 1.00 3.34 O ATOM 1690 OD2 ASP A 102 -8.748 17.564 2.232 1.00 30.01 O ATOM 0 H ASP A 102 -7.197 13.715 4.603 1.00 65.03 H new ATOM 0 HA ASP A 102 -9.734 15.241 4.885 1.00 63.20 H new ATOM 0 HB2 ASP A 102 -7.456 16.401 4.896 1.00 52.25 H new ATOM 0 HB3 ASP A 102 -7.237 15.833 3.253 1.00 52.25 H new ATOM 1695 N PHE A 103 -9.422 12.984 2.946 1.00 73.24 N ATOM 1696 CA PHE A 103 -9.811 12.236 1.750 1.00 40.10 C ATOM 1697 C PHE A 103 -11.240 12.569 1.312 1.00 11.52 C ATOM 1698 O PHE A 103 -11.516 12.692 0.118 1.00 15.31 O ATOM 1699 CB PHE A 103 -9.680 10.729 2.007 1.00 12.03 C ATOM 1700 CG PHE A 103 -9.651 9.881 0.761 1.00 65.15 C ATOM 1701 CD1 PHE A 103 -10.825 9.518 0.122 1.00 31.20 C ATOM 1702 CD2 PHE A 103 -8.445 9.437 0.240 1.00 15.15 C ATOM 1703 CE1 PHE A 103 -10.798 8.733 -1.015 1.00 55.30 C ATOM 1704 CE2 PHE A 103 -8.412 8.649 -0.896 1.00 41.13 C ATOM 1705 CZ PHE A 103 -9.591 8.297 -1.523 1.00 21.21 C ATOM 0 H PHE A 103 -9.153 12.395 3.734 1.00 73.24 H new ATOM 0 HA PHE A 103 -9.139 12.529 0.943 1.00 40.10 H new ATOM 0 HB2 PHE A 103 -8.767 10.548 2.575 1.00 12.03 H new ATOM 0 HB3 PHE A 103 -10.513 10.406 2.631 1.00 12.03 H new ATOM 0 HD1 PHE A 103 -11.773 9.852 0.517 1.00 31.20 H new ATOM 0 HD2 PHE A 103 -7.521 9.710 0.727 1.00 15.15 H new ATOM 0 HE1 PHE A 103 -11.721 8.461 -1.506 1.00 55.30 H new ATOM 0 HE2 PHE A 103 -7.466 8.310 -1.292 1.00 41.13 H new ATOM 0 HZ PHE A 103 -9.569 7.681 -2.410 1.00 21.21 H new