USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1066 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 95 LYS NZ :NH3+ 179:sc= 0.791 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot 17:sc= 0.967 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -164:sc= 1.04 (180deg=0) USER MOD Set 2.2: A 18 THR OG1 : rot -164:sc= 0.964 USER MOD Set 2.3: A 24 TYR OH : rot 87:sc= -0.793 USER MOD Set 2.4: A 36 SER OG : rot 70:sc= 1.15 USER MOD Single : A 10 THR OG1 : rot 16:sc= 0.463 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= -0.355 USER MOD Single : A 14 SER OG : rot -9:sc= 0.799 USER MOD Single : A 16 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.054) USER MOD Single : A 20 MET CE :methyl 146:sc= -0.724 (180deg=-2.13) USER MOD Single : A 26 ASN : amide:sc= 0.586 K(o=0.59,f=-9.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00144 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.469 K(o=-0.47,f=-6.9!) USER MOD Single : A 37 ASN : amide:sc= -0.276 K(o=-0.28,f=-3.2!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -26:sc= 0.0768 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 44 ASN : amide:sc= 0.615 K(o=0.62,f=-0.033) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0201) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000629) USER MOD Single : A 55 TYR OH : rot -131:sc= 0.284 USER MOD Single : A 58 MET CE :methyl 173:sc= -0.705 (180deg=-0.854) USER MOD Single : A 62 THR OG1 : rot -174:sc= 0.36 USER MOD Single : A 64 LYS NZ :NH3+ 139:sc= 0.434 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0761 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 0.864 (180deg=0.666) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 100 SER OG : rot 180:sc= -0.172 USER MOD Single : A 104 GLN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.059) USER MOD Single : A 115 THR OG1 : rot 79:sc= 0.59 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc=-0.000354 K(o=-0.00035,f=-0.54) USER MOD Single : A 119 TYR OH : rot -134:sc= 0.496 USER MOD Single : A 120 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.19) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0.107 X(o=0.11,f=-0.14) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.318 X(o=-0.32,f=0.061) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0.415 K(o=0.47,f=-2.3!) USER MOD Single : A 140 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.58) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -9.101 3.680 -11.072 1.00 71.10 N ATOM 140 CA THR A 10 -8.671 2.559 -11.943 1.00 40.24 C ATOM 141 C THR A 10 -7.178 2.236 -11.630 1.00 25.12 C ATOM 142 O THR A 10 -6.605 2.835 -10.704 1.00 0.11 O ATOM 143 CB THR A 10 -8.905 2.949 -13.455 1.00 24.24 C ATOM 144 OG1 THR A 10 -10.121 3.716 -13.569 1.00 60.52 O ATOM 145 CG2 THR A 10 -9.013 1.724 -14.387 1.00 63.44 C ATOM 0 HA THR A 10 -9.258 1.660 -11.751 1.00 40.24 H new ATOM 0 HB THR A 10 -8.036 3.528 -13.767 1.00 24.24 H new ATOM 0 HG1 THR A 10 -10.390 4.036 -12.683 1.00 60.52 H new ATOM 0 HG21 THR A 10 -9.173 2.059 -15.412 1.00 63.44 H new ATOM 0 HG22 THR A 10 -8.091 1.145 -14.335 1.00 63.44 H new ATOM 0 HG23 THR A 10 -9.851 1.101 -14.074 1.00 63.44 H new ATOM 153 N THR A 11 -6.553 1.309 -12.395 1.00 11.54 N ATOM 154 CA THR A 11 -5.200 0.778 -12.117 1.00 1.33 C ATOM 155 C THR A 11 -4.112 1.878 -12.011 1.00 65.11 C ATOM 156 O THR A 11 -3.230 1.771 -11.162 1.00 64.04 O ATOM 157 CB THR A 11 -4.782 -0.246 -13.218 1.00 70.22 C ATOM 158 OG1 THR A 11 -4.779 0.409 -14.492 1.00 70.23 O ATOM 159 CG2 THR A 11 -5.727 -1.467 -13.274 1.00 4.45 C ATOM 0 H THR A 11 -6.979 0.906 -13.230 1.00 11.54 H new ATOM 0 HA THR A 11 -5.265 0.292 -11.144 1.00 1.33 H new ATOM 0 HB THR A 11 -3.786 -0.613 -12.968 1.00 70.22 H new ATOM 0 HG1 THR A 11 -4.515 -0.229 -15.187 1.00 70.23 H new ATOM 0 HG21 THR A 11 -5.394 -2.150 -14.056 1.00 4.45 H new ATOM 0 HG22 THR A 11 -5.714 -1.981 -12.313 1.00 4.45 H new ATOM 0 HG23 THR A 11 -6.741 -1.133 -13.493 1.00 4.45 H new ATOM 167 N TYR A 12 -4.222 2.938 -12.849 1.00 10.34 N ATOM 168 CA TYR A 12 -3.224 4.042 -12.940 1.00 15.23 C ATOM 169 C TYR A 12 -2.819 4.597 -11.549 1.00 65.03 C ATOM 170 O TYR A 12 -1.645 4.874 -11.290 1.00 30.24 O ATOM 171 CB TYR A 12 -3.779 5.194 -13.830 1.00 32.43 C ATOM 172 CG TYR A 12 -4.954 5.981 -13.214 1.00 42.12 C ATOM 173 CD1 TYR A 12 -6.255 5.491 -13.252 1.00 61.13 C ATOM 174 CD2 TYR A 12 -4.746 7.203 -12.566 1.00 23.32 C ATOM 175 CE1 TYR A 12 -7.302 6.188 -12.684 1.00 33.33 C ATOM 176 CE2 TYR A 12 -5.792 7.897 -11.998 1.00 3.11 C ATOM 177 CZ TYR A 12 -7.067 7.385 -12.055 1.00 2.12 C ATOM 178 OH TYR A 12 -8.116 8.080 -11.493 1.00 24.42 O ATOM 0 H TYR A 12 -5.010 3.055 -13.487 1.00 10.34 H new ATOM 0 HA TYR A 12 -2.326 3.623 -13.394 1.00 15.23 H new ATOM 0 HB2 TYR A 12 -2.968 5.890 -14.046 1.00 32.43 H new ATOM 0 HB3 TYR A 12 -4.101 4.774 -14.783 1.00 32.43 H new ATOM 0 HD1 TYR A 12 -6.450 4.545 -13.736 1.00 61.13 H new ATOM 0 HD2 TYR A 12 -3.747 7.610 -12.510 1.00 23.32 H new ATOM 0 HE1 TYR A 12 -8.305 5.792 -12.734 1.00 33.33 H new ATOM 0 HE2 TYR A 12 -5.611 8.842 -11.508 1.00 3.11 H new ATOM 0 HH TYR A 12 -8.805 7.449 -11.197 1.00 24.42 H new ATOM 188 N ALA A 13 -3.823 4.712 -10.662 1.00 12.42 N ATOM 189 CA ALA A 13 -3.656 5.277 -9.320 1.00 41.21 C ATOM 190 C ALA A 13 -2.845 4.338 -8.413 1.00 4.31 C ATOM 191 O ALA A 13 -1.956 4.784 -7.677 1.00 21.42 O ATOM 192 CB ALA A 13 -5.039 5.556 -8.719 1.00 65.33 C ATOM 0 H ALA A 13 -4.777 4.412 -10.862 1.00 12.42 H new ATOM 0 HA ALA A 13 -3.097 6.210 -9.396 1.00 41.21 H new ATOM 0 HB1 ALA A 13 -4.923 5.977 -7.720 1.00 65.33 H new ATOM 0 HB2 ALA A 13 -5.574 6.264 -9.351 1.00 65.33 H new ATOM 0 HB3 ALA A 13 -5.604 4.626 -8.658 1.00 65.33 H new ATOM 198 N SER A 14 -3.154 3.032 -8.506 1.00 3.54 N ATOM 199 CA SER A 14 -2.562 2.004 -7.645 1.00 33.15 C ATOM 200 C SER A 14 -1.151 1.581 -8.101 1.00 35.24 C ATOM 201 O SER A 14 -0.309 1.253 -7.264 1.00 4.21 O ATOM 202 CB SER A 14 -3.501 0.775 -7.575 1.00 32.32 C ATOM 203 OG SER A 14 -3.750 0.204 -8.855 1.00 54.33 O ATOM 0 H SER A 14 -3.823 2.664 -9.183 1.00 3.54 H new ATOM 0 HA SER A 14 -2.449 2.439 -6.652 1.00 33.15 H new ATOM 0 HB2 SER A 14 -3.059 0.021 -6.924 1.00 32.32 H new ATOM 0 HB3 SER A 14 -4.448 1.071 -7.123 1.00 32.32 H new ATOM 0 HG SER A 14 -3.396 0.796 -9.552 1.00 54.33 H new ATOM 209 N LYS A 15 -0.895 1.595 -9.425 1.00 31.51 N ATOM 210 CA LYS A 15 0.354 1.035 -9.995 1.00 74.31 C ATOM 211 C LYS A 15 1.502 2.048 -9.904 1.00 45.23 C ATOM 212 O LYS A 15 2.639 1.688 -9.551 1.00 22.42 O ATOM 213 CB LYS A 15 0.145 0.558 -11.464 1.00 64.43 C ATOM 214 CG LYS A 15 -1.044 -0.413 -11.649 1.00 53.31 C ATOM 215 CD LYS A 15 -1.069 -1.552 -10.606 1.00 63.00 C ATOM 216 CE LYS A 15 -2.319 -2.439 -10.708 1.00 75.22 C ATOM 217 NZ LYS A 15 -2.363 -3.452 -9.617 1.00 63.42 N ATOM 0 H LYS A 15 -1.532 1.986 -10.120 1.00 31.51 H new ATOM 0 HA LYS A 15 0.626 0.163 -9.401 1.00 74.31 H new ATOM 0 HB2 LYS A 15 -0.010 1.430 -12.099 1.00 64.43 H new ATOM 0 HB3 LYS A 15 1.056 0.070 -11.809 1.00 64.43 H new ATOM 0 HG2 LYS A 15 -1.976 0.149 -11.586 1.00 53.31 H new ATOM 0 HG3 LYS A 15 -0.999 -0.846 -12.648 1.00 53.31 H new ATOM 0 HD2 LYS A 15 -0.181 -2.171 -10.732 1.00 63.00 H new ATOM 0 HD3 LYS A 15 -1.018 -1.121 -9.606 1.00 63.00 H new ATOM 0 HE2 LYS A 15 -3.212 -1.816 -10.663 1.00 75.22 H new ATOM 0 HE3 LYS A 15 -2.330 -2.943 -11.674 1.00 75.22 H new ATOM 0 HZ1 LYS A 15 -3.051 -4.193 -9.859 1.00 63.42 H new ATOM 0 HZ2 LYS A 15 -1.421 -3.878 -9.501 1.00 63.42 H new ATOM 0 HZ3 LYS A 15 -2.648 -2.993 -8.728 1.00 63.42 H new ATOM 231 N GLN A 16 1.190 3.323 -10.208 1.00 42.43 N ATOM 232 CA GLN A 16 2.166 4.415 -10.080 1.00 53.11 C ATOM 233 C GLN A 16 2.496 4.656 -8.597 1.00 63.32 C ATOM 234 O GLN A 16 3.629 4.983 -8.260 1.00 34.23 O ATOM 235 CB GLN A 16 1.665 5.709 -10.760 1.00 10.30 C ATOM 236 CG GLN A 16 1.349 5.565 -12.264 1.00 75.01 C ATOM 237 CD GLN A 16 2.509 5.006 -13.106 1.00 23.43 C ATOM 238 OE1 GLN A 16 2.632 3.797 -13.301 1.00 74.00 O ATOM 239 NE2 GLN A 16 3.357 5.880 -13.618 1.00 2.13 N ATOM 0 H GLN A 16 0.273 3.618 -10.542 1.00 42.43 H new ATOM 0 HA GLN A 16 3.079 4.118 -10.596 1.00 53.11 H new ATOM 0 HB2 GLN A 16 0.767 6.050 -10.245 1.00 10.30 H new ATOM 0 HB3 GLN A 16 2.419 6.486 -10.634 1.00 10.30 H new ATOM 0 HG2 GLN A 16 0.484 4.912 -12.380 1.00 75.01 H new ATOM 0 HG3 GLN A 16 1.067 6.541 -12.659 1.00 75.01 H new ATOM 0 HE21 GLN A 16 3.232 6.877 -13.441 1.00 2.13 H new ATOM 0 HE22 GLN A 16 4.137 5.558 -14.191 1.00 2.13 H new ATOM 248 N ALA A 17 1.498 4.450 -7.714 1.00 73.44 N ATOM 249 CA ALA A 17 1.699 4.469 -6.248 1.00 61.22 C ATOM 250 C ALA A 17 2.840 3.529 -5.834 1.00 71.23 C ATOM 251 O ALA A 17 3.758 3.913 -5.103 1.00 24.00 O ATOM 252 CB ALA A 17 0.418 4.041 -5.531 1.00 32.54 C ATOM 0 H ALA A 17 0.534 4.267 -7.993 1.00 73.44 H new ATOM 0 HA ALA A 17 1.959 5.489 -5.964 1.00 61.22 H new ATOM 0 HB1 ALA A 17 0.581 4.060 -4.453 1.00 32.54 H new ATOM 0 HB2 ALA A 17 -0.389 4.727 -5.788 1.00 32.54 H new ATOM 0 HB3 ALA A 17 0.148 3.031 -5.840 1.00 32.54 H new ATOM 258 N THR A 18 2.766 2.301 -6.356 1.00 3.15 N ATOM 259 CA THR A 18 3.728 1.237 -6.070 1.00 52.55 C ATOM 260 C THR A 18 5.111 1.558 -6.699 1.00 20.20 C ATOM 261 O THR A 18 6.158 1.135 -6.185 1.00 32.00 O ATOM 262 CB THR A 18 3.158 -0.115 -6.604 1.00 72.32 C ATOM 263 OG1 THR A 18 1.756 -0.210 -6.278 1.00 63.12 O ATOM 264 CG2 THR A 18 3.870 -1.329 -6.008 1.00 31.25 C ATOM 0 H THR A 18 2.026 2.016 -6.997 1.00 3.15 H new ATOM 0 HA THR A 18 3.879 1.159 -4.993 1.00 52.55 H new ATOM 0 HB THR A 18 3.317 -0.121 -7.682 1.00 72.32 H new ATOM 0 HG1 THR A 18 1.460 -1.139 -6.376 1.00 63.12 H new ATOM 0 HG21 THR A 18 3.434 -2.242 -6.414 1.00 31.25 H new ATOM 0 HG22 THR A 18 4.930 -1.290 -6.261 1.00 31.25 H new ATOM 0 HG23 THR A 18 3.755 -1.322 -4.924 1.00 31.25 H new ATOM 272 N ASP A 19 5.082 2.329 -7.810 1.00 51.40 N ATOM 273 CA ASP A 19 6.291 2.829 -8.498 1.00 4.10 C ATOM 274 C ASP A 19 7.111 3.770 -7.585 1.00 64.40 C ATOM 275 O ASP A 19 8.314 3.548 -7.389 1.00 72.22 O ATOM 276 CB ASP A 19 5.889 3.547 -9.824 1.00 53.04 C ATOM 277 CG ASP A 19 7.078 4.112 -10.625 1.00 13.13 C ATOM 278 OD1 ASP A 19 7.697 3.346 -11.397 1.00 10.40 O ATOM 279 OD2 ASP A 19 7.390 5.321 -10.499 1.00 2.22 O ATOM 0 H ASP A 19 4.213 2.623 -8.256 1.00 51.40 H new ATOM 0 HA ASP A 19 6.927 1.977 -8.738 1.00 4.10 H new ATOM 0 HB2 ASP A 19 5.344 2.844 -10.453 1.00 53.04 H new ATOM 0 HB3 ASP A 19 5.204 4.362 -9.589 1.00 53.04 H new ATOM 284 N MET A 20 6.447 4.795 -6.999 1.00 35.21 N ATOM 285 CA MET A 20 7.127 5.800 -6.140 1.00 50.13 C ATOM 286 C MET A 20 7.448 5.256 -4.733 1.00 10.33 C ATOM 287 O MET A 20 8.422 5.693 -4.107 1.00 13.23 O ATOM 288 CB MET A 20 6.308 7.120 -6.015 1.00 54.12 C ATOM 289 CG MET A 20 6.305 8.010 -7.275 1.00 33.21 C ATOM 290 SD MET A 20 5.095 7.512 -8.517 1.00 34.24 S ATOM 291 CE MET A 20 3.565 7.925 -7.678 1.00 1.21 C ATOM 0 H MET A 20 5.444 4.949 -7.104 1.00 35.21 H new ATOM 0 HA MET A 20 8.068 6.021 -6.644 1.00 50.13 H new ATOM 0 HB2 MET A 20 5.278 6.868 -5.765 1.00 54.12 H new ATOM 0 HB3 MET A 20 6.706 7.699 -5.181 1.00 54.12 H new ATOM 0 HG2 MET A 20 6.106 9.040 -6.980 1.00 33.21 H new ATOM 0 HG3 MET A 20 7.299 7.993 -7.722 1.00 33.21 H new ATOM 0 HE1 MET A 20 2.828 8.259 -8.408 1.00 1.21 H new ATOM 0 HE2 MET A 20 3.187 7.045 -7.157 1.00 1.21 H new ATOM 0 HE3 MET A 20 3.749 8.722 -6.957 1.00 1.21 H new ATOM 301 N GLY A 21 6.621 4.328 -4.219 1.00 21.32 N ATOM 302 CA GLY A 21 6.869 3.730 -2.902 1.00 2.43 C ATOM 303 C GLY A 21 5.588 3.328 -2.191 1.00 73.02 C ATOM 304 O GLY A 21 5.123 4.028 -1.280 1.00 51.22 O ATOM 0 H GLY A 21 5.786 3.982 -4.691 1.00 21.32 H new ATOM 0 HA2 GLY A 21 7.505 2.853 -3.020 1.00 2.43 H new ATOM 0 HA3 GLY A 21 7.416 4.440 -2.282 1.00 2.43 H new ATOM 308 N ALA A 22 5.009 2.201 -2.626 1.00 63.10 N ATOM 309 CA ALA A 22 3.865 1.565 -1.957 1.00 62.12 C ATOM 310 C ALA A 22 3.983 0.043 -2.088 1.00 65.32 C ATOM 311 O ALA A 22 4.600 -0.452 -3.035 1.00 41.21 O ATOM 312 CB ALA A 22 2.537 2.079 -2.536 1.00 14.31 C ATOM 0 H ALA A 22 5.323 1.701 -3.458 1.00 63.10 H new ATOM 0 HA ALA A 22 3.875 1.826 -0.899 1.00 62.12 H new ATOM 0 HB1 ALA A 22 1.705 1.594 -2.025 1.00 14.31 H new ATOM 0 HB2 ALA A 22 2.471 3.158 -2.393 1.00 14.31 H new ATOM 0 HB3 ALA A 22 2.492 1.850 -3.601 1.00 14.31 H new ATOM 318 N ILE A 23 3.421 -0.693 -1.117 1.00 33.13 N ATOM 319 CA ILE A 23 3.445 -2.172 -1.100 1.00 42.33 C ATOM 320 C ILE A 23 2.018 -2.727 -1.165 1.00 24.21 C ATOM 321 O ILE A 23 1.072 -2.113 -0.647 1.00 45.00 O ATOM 322 CB ILE A 23 4.168 -2.744 0.187 1.00 5.43 C ATOM 323 CG1 ILE A 23 3.458 -2.252 1.495 1.00 33.43 C ATOM 324 CG2 ILE A 23 5.669 -2.369 0.195 1.00 60.21 C ATOM 325 CD1 ILE A 23 4.036 -2.787 2.794 1.00 34.22 C ATOM 0 H ILE A 23 2.936 -0.284 -0.319 1.00 33.13 H new ATOM 0 HA ILE A 23 4.011 -2.491 -1.975 1.00 42.33 H new ATOM 0 HB ILE A 23 4.096 -3.831 0.155 1.00 5.43 H new ATOM 0 HG12 ILE A 23 3.498 -1.163 1.521 1.00 33.43 H new ATOM 0 HG13 ILE A 23 2.406 -2.532 1.444 1.00 33.43 H new ATOM 0 HG21 ILE A 23 6.141 -2.775 1.090 1.00 60.21 H new ATOM 0 HG22 ILE A 23 6.152 -2.784 -0.690 1.00 60.21 H new ATOM 0 HG23 ILE A 23 5.773 -1.284 0.190 1.00 60.21 H new ATOM 0 HD11 ILE A 23 3.472 -2.385 3.636 1.00 34.22 H new ATOM 0 HD12 ILE A 23 3.971 -3.875 2.800 1.00 34.22 H new ATOM 0 HD13 ILE A 23 5.080 -2.485 2.879 1.00 34.22 H new ATOM 337 N TYR A 24 1.879 -3.908 -1.778 1.00 51.24 N ATOM 338 CA TYR A 24 0.616 -4.642 -1.818 1.00 34.20 C ATOM 339 C TYR A 24 0.628 -5.708 -0.718 1.00 70.05 C ATOM 340 O TYR A 24 1.487 -6.608 -0.716 1.00 65.24 O ATOM 341 CB TYR A 24 0.407 -5.319 -3.195 1.00 74.42 C ATOM 342 CG TYR A 24 0.116 -4.358 -4.352 1.00 13.54 C ATOM 343 CD1 TYR A 24 -1.100 -3.669 -4.417 1.00 63.24 C ATOM 344 CD2 TYR A 24 1.037 -4.149 -5.384 1.00 72.34 C ATOM 345 CE1 TYR A 24 -1.385 -2.816 -5.464 1.00 65.23 C ATOM 346 CE2 TYR A 24 0.753 -3.293 -6.428 1.00 74.02 C ATOM 347 CZ TYR A 24 -0.455 -2.628 -6.461 1.00 33.02 C ATOM 348 OH TYR A 24 -0.741 -1.781 -7.503 1.00 31.44 O ATOM 0 H TYR A 24 2.643 -4.380 -2.261 1.00 51.24 H new ATOM 0 HA TYR A 24 -0.203 -3.941 -1.658 1.00 34.20 H new ATOM 0 HB2 TYR A 24 1.299 -5.897 -3.438 1.00 74.42 H new ATOM 0 HB3 TYR A 24 -0.418 -6.026 -3.114 1.00 74.42 H new ATOM 0 HD1 TYR A 24 -1.830 -3.807 -3.633 1.00 63.24 H new ATOM 0 HD2 TYR A 24 1.985 -4.666 -5.363 1.00 72.34 H new ATOM 0 HE1 TYR A 24 -2.332 -2.299 -5.501 1.00 65.23 H new ATOM 0 HE2 TYR A 24 1.475 -3.144 -7.217 1.00 74.02 H new ATOM 0 HH TYR A 24 -0.496 -0.865 -7.257 1.00 31.44 H new ATOM 358 N VAL A 25 -0.309 -5.581 0.229 1.00 21.22 N ATOM 359 CA VAL A 25 -0.569 -6.596 1.262 1.00 21.11 C ATOM 360 C VAL A 25 -2.016 -7.096 1.130 1.00 32.24 C ATOM 361 O VAL A 25 -2.780 -6.560 0.324 1.00 72.44 O ATOM 362 CB VAL A 25 -0.297 -6.048 2.721 1.00 64.20 C ATOM 363 CG1 VAL A 25 1.164 -5.558 2.877 1.00 50.02 C ATOM 364 CG2 VAL A 25 -1.307 -4.949 3.147 1.00 10.44 C ATOM 0 H VAL A 25 -0.915 -4.764 0.302 1.00 21.22 H new ATOM 0 HA VAL A 25 0.122 -7.424 1.106 1.00 21.11 H new ATOM 0 HB VAL A 25 -0.447 -6.888 3.399 1.00 64.20 H new ATOM 0 HG11 VAL A 25 1.317 -5.188 3.891 1.00 50.02 H new ATOM 0 HG12 VAL A 25 1.848 -6.385 2.685 1.00 50.02 H new ATOM 0 HG13 VAL A 25 1.357 -4.756 2.165 1.00 50.02 H new ATOM 0 HG21 VAL A 25 -1.072 -4.610 4.156 1.00 10.44 H new ATOM 0 HG22 VAL A 25 -1.241 -4.107 2.457 1.00 10.44 H new ATOM 0 HG23 VAL A 25 -2.318 -5.356 3.127 1.00 10.44 H new ATOM 374 N ASN A 26 -2.378 -8.142 1.886 1.00 3.32 N ATOM 375 CA ASN A 26 -3.782 -8.613 1.976 1.00 11.03 C ATOM 376 C ASN A 26 -4.454 -8.012 3.228 1.00 73.14 C ATOM 377 O ASN A 26 -3.897 -7.117 3.881 1.00 62.15 O ATOM 378 CB ASN A 26 -3.854 -10.173 1.995 1.00 55.14 C ATOM 379 CG ASN A 26 -3.188 -10.823 3.212 1.00 20.34 C ATOM 380 OD1 ASN A 26 -2.247 -10.290 3.786 1.00 61.25 O ATOM 381 ND2 ASN A 26 -3.664 -11.992 3.614 1.00 71.34 N ATOM 0 H ASN A 26 -1.722 -8.684 2.448 1.00 3.32 H new ATOM 0 HA ASN A 26 -4.321 -8.275 1.091 1.00 11.03 H new ATOM 0 HB2 ASN A 26 -4.900 -10.477 1.964 1.00 55.14 H new ATOM 0 HB3 ASN A 26 -3.383 -10.557 1.090 1.00 55.14 H new ATOM 0 HD21 ASN A 26 -3.246 -12.465 4.415 1.00 71.34 H new ATOM 0 HD22 ASN A 26 -4.449 -12.419 3.122 1.00 71.34 H new ATOM 388 N SER A 27 -5.649 -8.528 3.547 1.00 32.32 N ATOM 389 CA SER A 27 -6.436 -8.121 4.726 1.00 62.34 C ATOM 390 C SER A 27 -5.764 -8.510 6.062 1.00 44.24 C ATOM 391 O SER A 27 -6.225 -8.093 7.129 1.00 42.30 O ATOM 392 CB SER A 27 -7.835 -8.753 4.626 1.00 64.43 C ATOM 393 OG SER A 27 -7.743 -10.165 4.461 1.00 35.02 O ATOM 0 H SER A 27 -6.105 -9.249 2.988 1.00 32.32 H new ATOM 0 HA SER A 27 -6.505 -7.033 4.726 1.00 62.34 H new ATOM 0 HB2 SER A 27 -8.407 -8.524 5.525 1.00 64.43 H new ATOM 0 HB3 SER A 27 -8.376 -8.319 3.785 1.00 64.43 H new ATOM 0 HG SER A 27 -8.644 -10.547 4.401 1.00 35.02 H new ATOM 399 N LYS A 28 -4.700 -9.326 6.006 1.00 0.14 N ATOM 400 CA LYS A 28 -3.905 -9.683 7.195 1.00 61.44 C ATOM 401 C LYS A 28 -2.703 -8.734 7.315 1.00 72.42 C ATOM 402 O LYS A 28 -2.468 -8.141 8.363 1.00 13.45 O ATOM 403 CB LYS A 28 -3.421 -11.152 7.109 1.00 52.24 C ATOM 404 CG LYS A 28 -4.544 -12.197 6.933 1.00 33.34 C ATOM 405 CD LYS A 28 -5.493 -12.259 8.146 1.00 3.15 C ATOM 406 CE LYS A 28 -6.643 -13.257 7.947 1.00 42.04 C ATOM 407 NZ LYS A 28 -7.526 -13.318 9.143 1.00 3.02 N ATOM 0 H LYS A 28 -4.367 -9.755 5.143 1.00 0.14 H new ATOM 0 HA LYS A 28 -4.533 -9.583 8.081 1.00 61.44 H new ATOM 0 HB2 LYS A 28 -2.727 -11.242 6.274 1.00 52.24 H new ATOM 0 HB3 LYS A 28 -2.863 -11.389 8.015 1.00 52.24 H new ATOM 0 HG2 LYS A 28 -5.119 -11.959 6.038 1.00 33.34 H new ATOM 0 HG3 LYS A 28 -4.099 -13.179 6.774 1.00 33.34 H new ATOM 0 HD2 LYS A 28 -4.925 -12.538 9.033 1.00 3.15 H new ATOM 0 HD3 LYS A 28 -5.906 -11.267 8.331 1.00 3.15 H new ATOM 0 HE2 LYS A 28 -7.230 -12.968 7.075 1.00 42.04 H new ATOM 0 HE3 LYS A 28 -6.235 -14.247 7.744 1.00 42.04 H new ATOM 0 HZ1 LYS A 28 -8.292 -14.001 8.975 1.00 3.02 H new ATOM 0 HZ2 LYS A 28 -6.971 -13.617 9.970 1.00 3.02 H new ATOM 0 HZ3 LYS A 28 -7.934 -12.378 9.322 1.00 3.02 H new ATOM 421 N GLY A 29 -1.959 -8.581 6.210 1.00 32.32 N ATOM 422 CA GLY A 29 -0.760 -7.742 6.178 1.00 32.12 C ATOM 423 C GLY A 29 0.416 -8.423 5.500 1.00 11.23 C ATOM 424 O GLY A 29 1.490 -7.834 5.405 1.00 52.20 O ATOM 0 H GLY A 29 -2.172 -9.033 5.321 1.00 32.32 H new ATOM 0 HA2 GLY A 29 -0.986 -6.812 5.656 1.00 32.12 H new ATOM 0 HA3 GLY A 29 -0.481 -7.475 7.197 1.00 32.12 H new ATOM 428 N ASP A 30 0.210 -9.669 5.027 1.00 23.41 N ATOM 429 CA ASP A 30 1.233 -10.443 4.292 1.00 74.42 C ATOM 430 C ASP A 30 1.525 -9.785 2.939 1.00 10.20 C ATOM 431 O ASP A 30 0.577 -9.404 2.235 1.00 71.23 O ATOM 432 CB ASP A 30 0.748 -11.898 4.022 1.00 24.53 C ATOM 433 CG ASP A 30 0.196 -12.608 5.259 1.00 43.34 C ATOM 434 OD1 ASP A 30 0.981 -13.192 6.032 1.00 64.21 O ATOM 435 OD2 ASP A 30 -1.036 -12.598 5.458 1.00 52.44 O ATOM 0 H ASP A 30 -0.672 -10.168 5.144 1.00 23.41 H new ATOM 0 HA ASP A 30 2.131 -10.463 4.910 1.00 74.42 H new ATOM 0 HB2 ASP A 30 -0.024 -11.876 3.253 1.00 24.53 H new ATOM 0 HB3 ASP A 30 1.579 -12.479 3.622 1.00 24.53 H new ATOM 440 N ARG A 31 2.821 -9.663 2.574 1.00 4.13 N ATOM 441 CA ARG A 31 3.219 -9.265 1.214 1.00 32.44 C ATOM 442 C ARG A 31 2.732 -10.338 0.214 1.00 13.15 C ATOM 443 O ARG A 31 3.330 -11.421 0.092 1.00 22.14 O ATOM 444 CB ARG A 31 4.760 -9.045 1.079 1.00 61.31 C ATOM 445 CG ARG A 31 5.221 -8.753 -0.372 1.00 54.43 C ATOM 446 CD ARG A 31 6.741 -8.569 -0.519 1.00 35.20 C ATOM 447 NE ARG A 31 7.252 -7.370 0.170 1.00 44.03 N ATOM 448 CZ ARG A 31 7.107 -6.099 -0.254 1.00 63.23 C ATOM 449 NH1 ARG A 31 6.468 -5.811 -1.390 1.00 20.41 N ATOM 450 NH2 ARG A 31 7.625 -5.122 0.469 1.00 40.22 N ATOM 0 H ARG A 31 3.604 -9.835 3.204 1.00 4.13 H new ATOM 0 HA ARG A 31 2.752 -8.305 0.992 1.00 32.44 H new ATOM 0 HB2 ARG A 31 5.057 -8.215 1.720 1.00 61.31 H new ATOM 0 HB3 ARG A 31 5.278 -9.931 1.445 1.00 61.31 H new ATOM 0 HG2 ARG A 31 4.900 -9.572 -1.016 1.00 54.43 H new ATOM 0 HG3 ARG A 31 4.720 -7.853 -0.728 1.00 54.43 H new ATOM 0 HD2 ARG A 31 7.247 -9.450 -0.124 1.00 35.20 H new ATOM 0 HD3 ARG A 31 6.992 -8.506 -1.578 1.00 35.20 H new ATOM 0 HE ARG A 31 7.759 -7.515 1.043 1.00 44.03 H new ATOM 0 HH11 ARG A 31 6.076 -6.561 -1.959 1.00 20.41 H new ATOM 0 HH12 ARG A 31 6.372 -4.841 -1.689 1.00 20.41 H new ATOM 0 HH21 ARG A 31 8.125 -5.336 1.332 1.00 40.22 H new ATOM 0 HH22 ARG A 31 7.525 -4.154 0.164 1.00 40.22 H new ATOM 464 N ILE A 32 1.600 -10.038 -0.433 1.00 54.44 N ATOM 465 CA ILE A 32 1.011 -10.887 -1.479 1.00 34.14 C ATOM 466 C ILE A 32 1.902 -10.895 -2.733 1.00 21.34 C ATOM 467 O ILE A 32 2.140 -11.947 -3.337 1.00 10.23 O ATOM 468 CB ILE A 32 -0.443 -10.396 -1.846 1.00 73.22 C ATOM 469 CG1 ILE A 32 -0.442 -8.895 -2.275 1.00 33.22 C ATOM 470 CG2 ILE A 32 -1.401 -10.626 -0.664 1.00 62.30 C ATOM 471 CD1 ILE A 32 -1.773 -8.348 -2.721 1.00 31.10 C ATOM 0 H ILE A 32 1.061 -9.193 -0.245 1.00 54.44 H new ATOM 0 HA ILE A 32 0.944 -11.904 -1.092 1.00 34.14 H new ATOM 0 HB ILE A 32 -0.794 -10.982 -2.696 1.00 73.22 H new ATOM 0 HG12 ILE A 32 -0.085 -8.296 -1.437 1.00 33.22 H new ATOM 0 HG13 ILE A 32 0.274 -8.767 -3.087 1.00 33.22 H new ATOM 0 HG21 ILE A 32 -2.400 -10.282 -0.933 1.00 62.30 H new ATOM 0 HG22 ILE A 32 -1.435 -11.689 -0.425 1.00 62.30 H new ATOM 0 HG23 ILE A 32 -1.047 -10.070 0.204 1.00 62.30 H new ATOM 0 HD11 ILE A 32 -1.662 -7.299 -2.997 1.00 31.10 H new ATOM 0 HD12 ILE A 32 -2.129 -8.914 -3.582 1.00 31.10 H new ATOM 0 HD13 ILE A 32 -2.493 -8.435 -1.907 1.00 31.10 H new ATOM 483 N VAL A 33 2.403 -9.704 -3.085 1.00 71.31 N ATOM 484 CA VAL A 33 3.231 -9.481 -4.263 1.00 33.43 C ATOM 485 C VAL A 33 4.069 -8.212 -4.037 1.00 1.21 C ATOM 486 O VAL A 33 3.695 -7.342 -3.227 1.00 0.20 O ATOM 487 CB VAL A 33 2.364 -9.362 -5.582 1.00 74.32 C ATOM 488 CG1 VAL A 33 1.496 -8.079 -5.609 1.00 62.32 C ATOM 489 CG2 VAL A 33 3.236 -9.499 -6.853 1.00 22.30 C ATOM 0 H VAL A 33 2.237 -8.855 -2.544 1.00 71.31 H new ATOM 0 HA VAL A 33 3.887 -10.340 -4.403 1.00 33.43 H new ATOM 0 HB VAL A 33 1.668 -10.201 -5.575 1.00 74.32 H new ATOM 0 HG11 VAL A 33 0.922 -8.048 -6.535 1.00 62.32 H new ATOM 0 HG12 VAL A 33 0.814 -8.083 -4.759 1.00 62.32 H new ATOM 0 HG13 VAL A 33 2.141 -7.202 -5.552 1.00 62.32 H new ATOM 0 HG21 VAL A 33 2.606 -9.412 -7.738 1.00 22.30 H new ATOM 0 HG22 VAL A 33 3.989 -8.711 -6.865 1.00 22.30 H new ATOM 0 HG23 VAL A 33 3.729 -10.471 -6.853 1.00 22.30 H new ATOM 499 N ASN A 34 5.217 -8.138 -4.711 1.00 33.21 N ATOM 500 CA ASN A 34 6.097 -6.962 -4.683 1.00 53.50 C ATOM 501 C ASN A 34 5.422 -5.744 -5.354 1.00 23.42 C ATOM 502 O ASN A 34 5.265 -4.681 -4.738 1.00 23.23 O ATOM 503 CB ASN A 34 7.453 -7.284 -5.373 1.00 64.22 C ATOM 504 CG ASN A 34 7.355 -7.826 -6.815 1.00 0.10 C ATOM 505 OD1 ASN A 34 6.434 -8.564 -7.162 1.00 43.34 O ATOM 506 ND2 ASN A 34 8.285 -7.442 -7.669 1.00 33.14 N ATOM 0 H ASN A 34 5.568 -8.896 -5.297 1.00 33.21 H new ATOM 0 HA ASN A 34 6.287 -6.707 -3.641 1.00 53.50 H new ATOM 0 HB2 ASN A 34 8.058 -6.378 -5.385 1.00 64.22 H new ATOM 0 HB3 ASN A 34 7.985 -8.015 -4.764 1.00 64.22 H new ATOM 0 HD21 ASN A 34 8.249 -7.758 -8.638 1.00 33.14 H new ATOM 0 HD22 ASN A 34 9.040 -6.830 -7.360 1.00 33.14 H new ATOM 513 N GLU A 35 4.989 -5.956 -6.602 1.00 0.44 N ATOM 514 CA GLU A 35 4.559 -4.906 -7.546 1.00 11.51 C ATOM 515 C GLU A 35 3.428 -5.481 -8.421 1.00 73.12 C ATOM 516 O GLU A 35 2.785 -6.459 -8.042 1.00 1.24 O ATOM 517 CB GLU A 35 5.781 -4.483 -8.435 1.00 73.43 C ATOM 518 CG GLU A 35 6.974 -3.854 -7.670 1.00 64.35 C ATOM 519 CD GLU A 35 8.236 -3.728 -8.532 1.00 71.04 C ATOM 520 OE1 GLU A 35 8.405 -2.696 -9.218 1.00 10.32 O ATOM 521 OE2 GLU A 35 9.063 -4.669 -8.541 1.00 35.14 O ATOM 0 H GLU A 35 4.924 -6.893 -7.000 1.00 0.44 H new ATOM 0 HA GLU A 35 4.196 -4.027 -7.013 1.00 11.51 H new ATOM 0 HB2 GLU A 35 6.139 -5.361 -8.973 1.00 73.43 H new ATOM 0 HB3 GLU A 35 5.435 -3.770 -9.183 1.00 73.43 H new ATOM 0 HG2 GLU A 35 6.687 -2.867 -7.308 1.00 64.35 H new ATOM 0 HG3 GLU A 35 7.198 -4.462 -6.793 1.00 64.35 H new ATOM 528 N SER A 36 3.165 -4.863 -9.579 1.00 10.24 N ATOM 529 CA SER A 36 2.260 -5.421 -10.593 1.00 64.13 C ATOM 530 C SER A 36 2.983 -5.477 -11.947 1.00 2.13 C ATOM 531 O SER A 36 2.983 -4.504 -12.709 1.00 44.32 O ATOM 532 CB SER A 36 0.961 -4.591 -10.675 1.00 50.35 C ATOM 533 OG SER A 36 0.283 -4.567 -9.427 1.00 31.11 O ATOM 0 H SER A 36 3.572 -3.965 -9.840 1.00 10.24 H new ATOM 0 HA SER A 36 1.978 -6.435 -10.311 1.00 64.13 H new ATOM 0 HB2 SER A 36 1.197 -3.572 -10.983 1.00 50.35 H new ATOM 0 HB3 SER A 36 0.306 -5.011 -11.439 1.00 50.35 H new ATOM 0 HG SER A 36 0.799 -4.036 -8.785 1.00 31.11 H new ATOM 539 N ASN A 37 3.665 -6.609 -12.198 1.00 42.52 N ATOM 540 CA ASN A 37 4.301 -6.905 -13.499 1.00 43.20 C ATOM 541 C ASN A 37 3.201 -7.163 -14.553 1.00 63.40 C ATOM 542 O ASN A 37 3.326 -6.781 -15.722 1.00 61.22 O ATOM 543 CB ASN A 37 5.257 -8.129 -13.375 1.00 72.24 C ATOM 544 CG ASN A 37 6.366 -7.956 -12.315 1.00 74.20 C ATOM 545 OD1 ASN A 37 6.181 -7.308 -11.280 1.00 41.34 O ATOM 546 ND2 ASN A 37 7.530 -8.534 -12.566 1.00 32.40 N ATOM 0 H ASN A 37 3.792 -7.347 -11.505 1.00 42.52 H new ATOM 0 HA ASN A 37 4.901 -6.051 -13.814 1.00 43.20 H new ATOM 0 HB2 ASN A 37 4.669 -9.013 -13.129 1.00 72.24 H new ATOM 0 HB3 ASN A 37 5.721 -8.314 -14.344 1.00 72.24 H new ATOM 0 HD21 ASN A 37 8.296 -8.449 -11.898 1.00 32.40 H new ATOM 0 HD22 ASN A 37 7.661 -9.065 -13.427 1.00 32.40 H new ATOM 553 N VAL A 38 2.125 -7.818 -14.086 1.00 70.12 N ATOM 554 CA VAL A 38 0.858 -7.989 -14.818 1.00 63.13 C ATOM 555 C VAL A 38 -0.285 -8.166 -13.788 1.00 14.03 C ATOM 556 O VAL A 38 -0.025 -8.582 -12.642 1.00 32.23 O ATOM 557 CB VAL A 38 0.923 -9.208 -15.822 1.00 63.25 C ATOM 558 CG1 VAL A 38 1.161 -10.546 -15.090 1.00 34.21 C ATOM 559 CG2 VAL A 38 -0.329 -9.278 -16.732 1.00 44.10 C ATOM 0 H VAL A 38 2.112 -8.255 -13.164 1.00 70.12 H new ATOM 0 HA VAL A 38 0.670 -7.103 -15.424 1.00 63.13 H new ATOM 0 HB VAL A 38 1.783 -9.034 -16.468 1.00 63.25 H new ATOM 0 HG11 VAL A 38 1.199 -11.357 -15.817 1.00 34.21 H new ATOM 0 HG12 VAL A 38 2.105 -10.501 -14.547 1.00 34.21 H new ATOM 0 HG13 VAL A 38 0.347 -10.726 -14.388 1.00 34.21 H new ATOM 0 HG21 VAL A 38 -0.242 -10.130 -17.406 1.00 44.10 H new ATOM 0 HG22 VAL A 38 -1.221 -9.392 -16.116 1.00 44.10 H new ATOM 0 HG23 VAL A 38 -0.406 -8.361 -17.316 1.00 44.10 H new ATOM 569 N TYR A 39 -1.538 -7.838 -14.187 1.00 73.42 N ATOM 570 CA TYR A 39 -2.731 -7.988 -13.319 1.00 62.11 C ATOM 571 C TYR A 39 -2.921 -9.446 -12.861 1.00 21.53 C ATOM 572 O TYR A 39 -3.486 -9.693 -11.794 1.00 73.20 O ATOM 573 CB TYR A 39 -4.016 -7.482 -14.042 1.00 15.31 C ATOM 574 CG TYR A 39 -4.375 -8.231 -15.343 1.00 55.33 C ATOM 575 CD1 TYR A 39 -5.188 -9.379 -15.335 1.00 51.04 C ATOM 576 CD2 TYR A 39 -3.898 -7.793 -16.581 1.00 53.22 C ATOM 577 CE1 TYR A 39 -5.496 -10.047 -16.505 1.00 13.12 C ATOM 578 CE2 TYR A 39 -4.210 -8.463 -17.751 1.00 40.24 C ATOM 579 CZ TYR A 39 -5.006 -9.587 -17.709 1.00 62.13 C ATOM 580 OH TYR A 39 -5.300 -10.257 -18.879 1.00 32.04 O ATOM 0 H TYR A 39 -1.749 -7.465 -15.113 1.00 73.42 H new ATOM 0 HA TYR A 39 -2.562 -7.375 -12.434 1.00 62.11 H new ATOM 0 HB2 TYR A 39 -4.857 -7.561 -13.352 1.00 15.31 H new ATOM 0 HB3 TYR A 39 -3.891 -6.424 -14.273 1.00 15.31 H new ATOM 0 HD1 TYR A 39 -5.579 -9.745 -14.397 1.00 51.04 H new ATOM 0 HD2 TYR A 39 -3.273 -6.913 -16.626 1.00 53.22 H new ATOM 0 HE1 TYR A 39 -6.120 -10.928 -16.476 1.00 13.12 H new ATOM 0 HE2 TYR A 39 -3.830 -8.105 -18.696 1.00 40.24 H new ATOM 0 HH TYR A 39 -4.876 -9.798 -19.634 1.00 32.04 H new ATOM 590 N THR A 40 -2.441 -10.397 -13.689 1.00 32.12 N ATOM 591 CA THR A 40 -2.567 -11.832 -13.428 1.00 55.33 C ATOM 592 C THR A 40 -1.695 -12.253 -12.218 1.00 70.11 C ATOM 593 O THR A 40 -2.129 -13.059 -11.400 1.00 24.33 O ATOM 594 CB THR A 40 -2.182 -12.662 -14.698 1.00 32.52 C ATOM 595 OG1 THR A 40 -2.786 -12.068 -15.862 1.00 74.10 O ATOM 596 CG2 THR A 40 -2.641 -14.127 -14.588 1.00 65.02 C ATOM 0 H THR A 40 -1.954 -10.182 -14.559 1.00 32.12 H new ATOM 0 HA THR A 40 -3.609 -12.040 -13.185 1.00 55.33 H new ATOM 0 HB THR A 40 -1.095 -12.652 -14.782 1.00 32.52 H new ATOM 0 HG1 THR A 40 -3.590 -11.574 -15.597 1.00 74.10 H new ATOM 0 HG21 THR A 40 -2.354 -14.667 -15.490 1.00 65.02 H new ATOM 0 HG22 THR A 40 -2.170 -14.592 -13.722 1.00 65.02 H new ATOM 0 HG23 THR A 40 -3.724 -14.161 -14.474 1.00 65.02 H new ATOM 604 N THR A 41 -0.481 -11.673 -12.104 1.00 61.51 N ATOM 605 CA THR A 41 0.434 -11.929 -10.965 1.00 14.52 C ATOM 606 C THR A 41 -0.172 -11.405 -9.646 1.00 20.44 C ATOM 607 O THR A 41 -0.089 -12.070 -8.604 1.00 11.40 O ATOM 608 CB THR A 41 1.835 -11.277 -11.218 1.00 63.14 C ATOM 609 OG1 THR A 41 2.352 -11.767 -12.460 1.00 44.40 O ATOM 610 CG2 THR A 41 2.852 -11.576 -10.095 1.00 41.23 C ATOM 0 H THR A 41 -0.107 -11.019 -12.792 1.00 61.51 H new ATOM 0 HA THR A 41 0.567 -13.007 -10.878 1.00 14.52 H new ATOM 0 HB THR A 41 1.693 -10.197 -11.242 1.00 63.14 H new ATOM 0 HG1 THR A 41 3.229 -11.364 -12.631 1.00 44.40 H new ATOM 0 HG21 THR A 41 3.803 -11.097 -10.328 1.00 41.23 H new ATOM 0 HG22 THR A 41 2.473 -11.189 -9.149 1.00 41.23 H new ATOM 0 HG23 THR A 41 2.998 -12.653 -10.014 1.00 41.23 H new ATOM 618 N PHE A 42 -0.814 -10.221 -9.734 1.00 72.04 N ATOM 619 CA PHE A 42 -1.555 -9.612 -8.612 1.00 63.13 C ATOM 620 C PHE A 42 -2.761 -10.496 -8.216 1.00 33.00 C ATOM 621 O PHE A 42 -3.062 -10.654 -7.030 1.00 13.01 O ATOM 622 CB PHE A 42 -2.032 -8.179 -8.996 1.00 32.35 C ATOM 623 CG PHE A 42 -2.866 -7.485 -7.912 1.00 53.51 C ATOM 624 CD1 PHE A 42 -2.255 -6.874 -6.817 1.00 35.02 C ATOM 625 CD2 PHE A 42 -4.264 -7.460 -7.982 1.00 10.40 C ATOM 626 CE1 PHE A 42 -3.015 -6.266 -5.834 1.00 34.13 C ATOM 627 CE2 PHE A 42 -5.018 -6.851 -7.000 1.00 44.34 C ATOM 628 CZ PHE A 42 -4.395 -6.253 -5.929 1.00 52.41 C ATOM 0 H PHE A 42 -0.832 -9.661 -10.586 1.00 72.04 H new ATOM 0 HA PHE A 42 -0.887 -9.538 -7.754 1.00 63.13 H new ATOM 0 HB2 PHE A 42 -1.159 -7.564 -9.217 1.00 32.35 H new ATOM 0 HB3 PHE A 42 -2.621 -8.237 -9.911 1.00 32.35 H new ATOM 0 HD1 PHE A 42 -1.178 -6.876 -6.736 1.00 35.02 H new ATOM 0 HD2 PHE A 42 -4.761 -7.926 -8.820 1.00 10.40 H new ATOM 0 HE1 PHE A 42 -2.529 -5.800 -4.989 1.00 34.13 H new ATOM 0 HE2 PHE A 42 -6.096 -6.844 -7.072 1.00 44.34 H new ATOM 0 HZ PHE A 42 -4.984 -5.773 -5.162 1.00 52.41 H new ATOM 638 N ARG A 43 -3.431 -11.071 -9.233 1.00 34.11 N ATOM 639 CA ARG A 43 -4.594 -11.957 -9.047 1.00 23.22 C ATOM 640 C ARG A 43 -4.174 -13.218 -8.267 1.00 21.21 C ATOM 641 O ARG A 43 -4.777 -13.538 -7.239 1.00 71.02 O ATOM 642 CB ARG A 43 -5.210 -12.318 -10.429 1.00 31.12 C ATOM 643 CG ARG A 43 -6.486 -13.185 -10.379 1.00 33.13 C ATOM 644 CD ARG A 43 -7.005 -13.550 -11.785 1.00 13.12 C ATOM 645 NE ARG A 43 -7.428 -12.373 -12.573 1.00 14.40 N ATOM 646 CZ ARG A 43 -7.426 -12.298 -13.918 1.00 33.15 C ATOM 647 NH1 ARG A 43 -7.015 -13.318 -14.668 1.00 63.10 N ATOM 648 NH2 ARG A 43 -7.860 -11.198 -14.513 1.00 43.42 N ATOM 0 H ARG A 43 -3.179 -10.933 -10.212 1.00 34.11 H new ATOM 0 HA ARG A 43 -5.357 -11.442 -8.464 1.00 23.22 H new ATOM 0 HB2 ARG A 43 -5.440 -11.393 -10.958 1.00 31.12 H new ATOM 0 HB3 ARG A 43 -4.457 -12.843 -11.017 1.00 31.12 H new ATOM 0 HG2 ARG A 43 -6.279 -14.099 -9.823 1.00 33.13 H new ATOM 0 HG3 ARG A 43 -7.264 -12.650 -9.835 1.00 33.13 H new ATOM 0 HD2 ARG A 43 -6.223 -14.080 -12.328 1.00 13.12 H new ATOM 0 HD3 ARG A 43 -7.847 -14.236 -11.688 1.00 13.12 H new ATOM 0 HE ARG A 43 -7.747 -11.553 -12.057 1.00 14.40 H new ATOM 0 HH11 ARG A 43 -6.693 -14.179 -14.226 1.00 63.10 H new ATOM 0 HH12 ARG A 43 -7.022 -13.239 -15.685 1.00 63.10 H new ATOM 0 HH21 ARG A 43 -8.193 -10.413 -13.953 1.00 43.42 H new ATOM 0 HH22 ARG A 43 -7.861 -11.135 -15.531 1.00 43.42 H new ATOM 662 N ASN A 44 -3.084 -13.881 -8.727 1.00 54.41 N ATOM 663 CA ASN A 44 -2.523 -15.084 -8.064 1.00 14.24 C ATOM 664 C ASN A 44 -1.971 -14.759 -6.668 1.00 2.31 C ATOM 665 O ASN A 44 -1.930 -15.634 -5.799 1.00 32.34 O ATOM 666 CB ASN A 44 -1.407 -15.752 -8.919 1.00 51.13 C ATOM 667 CG ASN A 44 -1.942 -16.424 -10.188 1.00 54.32 C ATOM 668 OD1 ASN A 44 -2.423 -17.556 -10.146 1.00 43.32 O ATOM 669 ND2 ASN A 44 -1.797 -15.778 -11.331 1.00 21.32 N ATOM 0 H ASN A 44 -2.572 -13.599 -9.563 1.00 54.41 H new ATOM 0 HA ASN A 44 -3.350 -15.787 -7.961 1.00 14.24 H new ATOM 0 HB2 ASN A 44 -0.671 -14.998 -9.197 1.00 51.13 H new ATOM 0 HB3 ASN A 44 -0.889 -16.495 -8.313 1.00 51.13 H new ATOM 0 HD21 ASN A 44 -2.087 -16.217 -12.205 1.00 21.32 H new ATOM 0 HD22 ASN A 44 -1.396 -14.840 -11.340 1.00 21.32 H new ATOM 676 N ALA A 45 -1.549 -13.509 -6.471 1.00 1.03 N ATOM 677 CA ALA A 45 -1.064 -13.013 -5.176 1.00 24.41 C ATOM 678 C ALA A 45 -2.186 -13.007 -4.119 1.00 22.44 C ATOM 679 O ALA A 45 -1.945 -13.276 -2.939 1.00 54.12 O ATOM 680 CB ALA A 45 -0.485 -11.613 -5.366 1.00 41.35 C ATOM 0 H ALA A 45 -1.533 -12.805 -7.209 1.00 1.03 H new ATOM 0 HA ALA A 45 -0.286 -13.682 -4.809 1.00 24.41 H new ATOM 0 HB1 ALA A 45 -0.122 -11.236 -4.410 1.00 41.35 H new ATOM 0 HB2 ALA A 45 0.341 -11.654 -6.077 1.00 41.35 H new ATOM 0 HB3 ALA A 45 -1.259 -10.948 -5.748 1.00 41.35 H new ATOM 686 N ILE A 46 -3.416 -12.709 -4.566 1.00 72.51 N ATOM 687 CA ILE A 46 -4.612 -12.742 -3.704 1.00 41.51 C ATOM 688 C ILE A 46 -5.103 -14.202 -3.536 1.00 74.21 C ATOM 689 O ILE A 46 -5.620 -14.576 -2.477 1.00 4.42 O ATOM 690 CB ILE A 46 -5.761 -11.847 -4.300 1.00 44.44 C ATOM 691 CG1 ILE A 46 -5.252 -10.415 -4.635 1.00 5.14 C ATOM 692 CG2 ILE A 46 -6.956 -11.757 -3.331 1.00 65.12 C ATOM 693 CD1 ILE A 46 -4.910 -9.563 -3.431 1.00 32.12 C ATOM 0 H ILE A 46 -3.611 -12.439 -5.530 1.00 72.51 H new ATOM 0 HA ILE A 46 -4.342 -12.341 -2.727 1.00 41.51 H new ATOM 0 HB ILE A 46 -6.089 -12.325 -5.223 1.00 44.44 H new ATOM 0 HG12 ILE A 46 -4.367 -10.498 -5.266 1.00 5.14 H new ATOM 0 HG13 ILE A 46 -6.015 -9.902 -5.221 1.00 5.14 H new ATOM 0 HG21 ILE A 46 -7.734 -11.132 -3.770 1.00 65.12 H new ATOM 0 HG22 ILE A 46 -7.352 -12.756 -3.149 1.00 65.12 H new ATOM 0 HG23 ILE A 46 -6.628 -11.319 -2.388 1.00 65.12 H new ATOM 0 HD11 ILE A 46 -4.565 -8.584 -3.764 1.00 32.12 H new ATOM 0 HD12 ILE A 46 -5.796 -9.443 -2.807 1.00 32.12 H new ATOM 0 HD13 ILE A 46 -4.123 -10.048 -2.854 1.00 32.12 H new ATOM 705 N LEU A 47 -4.919 -15.017 -4.603 1.00 14.23 N ATOM 706 CA LEU A 47 -5.241 -16.466 -4.596 1.00 42.33 C ATOM 707 C LEU A 47 -4.295 -17.238 -3.641 1.00 70.23 C ATOM 708 O LEU A 47 -4.643 -18.312 -3.139 1.00 35.12 O ATOM 709 CB LEU A 47 -5.155 -17.062 -6.038 1.00 61.13 C ATOM 710 CG LEU A 47 -6.068 -16.413 -7.140 1.00 21.33 C ATOM 711 CD1 LEU A 47 -5.864 -17.091 -8.518 1.00 60.23 C ATOM 712 CD2 LEU A 47 -7.555 -16.419 -6.735 1.00 21.03 C ATOM 0 H LEU A 47 -4.543 -14.689 -5.493 1.00 14.23 H new ATOM 0 HA LEU A 47 -6.263 -16.578 -4.235 1.00 42.33 H new ATOM 0 HB2 LEU A 47 -4.120 -16.990 -6.372 1.00 61.13 H new ATOM 0 HB3 LEU A 47 -5.398 -18.123 -5.980 1.00 61.13 H new ATOM 0 HG LEU A 47 -5.761 -15.371 -7.231 1.00 21.33 H new ATOM 0 HD11 LEU A 47 -6.511 -16.617 -9.256 1.00 60.23 H new ATOM 0 HD12 LEU A 47 -4.824 -16.984 -8.826 1.00 60.23 H new ATOM 0 HD13 LEU A 47 -6.113 -18.149 -8.443 1.00 60.23 H new ATOM 0 HD21 LEU A 47 -8.149 -15.961 -7.526 1.00 21.03 H new ATOM 0 HD22 LEU A 47 -7.886 -17.446 -6.581 1.00 21.03 H new ATOM 0 HD23 LEU A 47 -7.683 -15.854 -5.812 1.00 21.03 H new ATOM 724 N LYS A 48 -3.090 -16.670 -3.427 1.00 70.25 N ATOM 725 CA LYS A 48 -2.081 -17.176 -2.464 1.00 3.24 C ATOM 726 C LYS A 48 -2.645 -17.156 -1.033 1.00 22.14 C ATOM 727 O LYS A 48 -2.385 -18.053 -0.223 1.00 11.53 O ATOM 728 CB LYS A 48 -0.816 -16.273 -2.540 1.00 1.22 C ATOM 729 CG LYS A 48 0.355 -16.659 -1.597 1.00 33.12 C ATOM 730 CD LYS A 48 1.490 -15.601 -1.579 1.00 45.53 C ATOM 731 CE LYS A 48 2.099 -15.339 -2.974 1.00 51.03 C ATOM 732 NZ LYS A 48 2.609 -16.594 -3.609 1.00 1.43 N ATOM 0 H LYS A 48 -2.783 -15.834 -3.924 1.00 70.25 H new ATOM 0 HA LYS A 48 -1.824 -18.204 -2.720 1.00 3.24 H new ATOM 0 HB2 LYS A 48 -0.448 -16.283 -3.566 1.00 1.22 H new ATOM 0 HB3 LYS A 48 -1.112 -15.248 -2.318 1.00 1.22 H new ATOM 0 HG2 LYS A 48 -0.028 -16.790 -0.585 1.00 33.12 H new ATOM 0 HG3 LYS A 48 0.765 -17.619 -1.910 1.00 33.12 H new ATOM 0 HD2 LYS A 48 1.100 -14.665 -1.178 1.00 45.53 H new ATOM 0 HD3 LYS A 48 2.277 -15.933 -0.902 1.00 45.53 H new ATOM 0 HE2 LYS A 48 1.346 -14.887 -3.619 1.00 51.03 H new ATOM 0 HE3 LYS A 48 2.914 -14.621 -2.884 1.00 51.03 H new ATOM 0 HZ1 LYS A 48 3.055 -16.366 -4.520 1.00 1.43 H new ATOM 0 HZ2 LYS A 48 3.310 -17.040 -2.983 1.00 1.43 H new ATOM 0 HZ3 LYS A 48 1.818 -17.250 -3.765 1.00 1.43 H new ATOM 785 N LYS A 52 -10.047 -12.563 0.025 1.00 10.00 N ATOM 786 CA LYS A 52 -9.836 -12.062 -1.338 1.00 24.23 C ATOM 787 C LYS A 52 -9.996 -10.524 -1.434 1.00 33.42 C ATOM 788 O LYS A 52 -10.977 -10.012 -1.999 1.00 62.31 O ATOM 789 CB LYS A 52 -10.787 -12.823 -2.314 1.00 14.42 C ATOM 790 CG LYS A 52 -10.510 -14.349 -2.414 1.00 55.41 C ATOM 791 CD LYS A 52 -9.226 -14.685 -3.212 1.00 31.00 C ATOM 792 CE LYS A 52 -8.898 -16.188 -3.227 1.00 44.14 C ATOM 793 NZ LYS A 52 -8.464 -16.686 -1.899 1.00 61.21 N ATOM 0 HA LYS A 52 -8.804 -12.259 -1.629 1.00 24.23 H new ATOM 0 HB2 LYS A 52 -11.817 -12.673 -1.991 1.00 14.42 H new ATOM 0 HB3 LYS A 52 -10.697 -12.383 -3.307 1.00 14.42 H new ATOM 0 HG2 LYS A 52 -10.424 -14.763 -1.409 1.00 55.41 H new ATOM 0 HG3 LYS A 52 -11.362 -14.836 -2.888 1.00 55.41 H new ATOM 0 HD2 LYS A 52 -9.341 -14.335 -4.238 1.00 31.00 H new ATOM 0 HD3 LYS A 52 -8.386 -14.140 -2.782 1.00 31.00 H new ATOM 0 HE2 LYS A 52 -9.777 -16.745 -3.552 1.00 44.14 H new ATOM 0 HE3 LYS A 52 -8.112 -16.378 -3.958 1.00 44.14 H new ATOM 0 HZ1 LYS A 52 -8.238 -17.699 -1.965 1.00 61.21 H new ATOM 0 HZ2 LYS A 52 -7.620 -16.163 -1.591 1.00 61.21 H new ATOM 0 HZ3 LYS A 52 -9.229 -16.546 -1.209 1.00 61.21 H new ATOM 807 N VAL A 53 -9.022 -9.799 -0.843 1.00 60.14 N ATOM 808 CA VAL A 53 -8.883 -8.330 -0.981 1.00 1.35 C ATOM 809 C VAL A 53 -7.438 -7.902 -0.642 1.00 22.42 C ATOM 810 O VAL A 53 -6.790 -8.501 0.226 1.00 45.45 O ATOM 811 CB VAL A 53 -9.927 -7.525 -0.098 1.00 61.54 C ATOM 812 CG1 VAL A 53 -9.888 -7.934 1.386 1.00 55.30 C ATOM 813 CG2 VAL A 53 -9.765 -5.989 -0.252 1.00 22.33 C ATOM 0 H VAL A 53 -8.304 -10.218 -0.252 1.00 60.14 H new ATOM 0 HA VAL A 53 -9.103 -8.083 -2.020 1.00 1.35 H new ATOM 0 HB VAL A 53 -10.910 -7.795 -0.483 1.00 61.54 H new ATOM 0 HG11 VAL A 53 -10.622 -7.352 1.943 1.00 55.30 H new ATOM 0 HG12 VAL A 53 -10.121 -8.995 1.477 1.00 55.30 H new ATOM 0 HG13 VAL A 53 -8.893 -7.745 1.789 1.00 55.30 H new ATOM 0 HG21 VAL A 53 -10.501 -5.481 0.371 1.00 22.33 H new ATOM 0 HG22 VAL A 53 -8.762 -5.696 0.059 1.00 22.33 H new ATOM 0 HG23 VAL A 53 -9.918 -5.710 -1.294 1.00 22.33 H new ATOM 823 N ALA A 54 -6.947 -6.872 -1.345 1.00 60.21 N ATOM 824 CA ALA A 54 -5.638 -6.260 -1.091 1.00 60.41 C ATOM 825 C ALA A 54 -5.811 -4.889 -0.436 1.00 31.12 C ATOM 826 O ALA A 54 -6.889 -4.285 -0.485 1.00 5.34 O ATOM 827 CB ALA A 54 -4.861 -6.094 -2.398 1.00 12.12 C ATOM 0 H ALA A 54 -7.455 -6.436 -2.115 1.00 60.21 H new ATOM 0 HA ALA A 54 -5.082 -6.917 -0.422 1.00 60.41 H new ATOM 0 HB1 ALA A 54 -3.893 -5.639 -2.190 1.00 12.12 H new ATOM 0 HB2 ALA A 54 -4.711 -7.070 -2.859 1.00 12.12 H new ATOM 0 HB3 ALA A 54 -5.424 -5.455 -3.078 1.00 12.12 H new ATOM 833 N TYR A 55 -4.730 -4.413 0.173 1.00 64.43 N ATOM 834 CA TYR A 55 -4.643 -3.085 0.772 1.00 14.14 C ATOM 835 C TYR A 55 -3.272 -2.498 0.409 1.00 43.12 C ATOM 836 O TYR A 55 -2.230 -3.025 0.815 1.00 72.43 O ATOM 837 CB TYR A 55 -4.843 -3.169 2.307 1.00 10.41 C ATOM 838 CG TYR A 55 -6.287 -3.507 2.745 1.00 14.25 C ATOM 839 CD1 TYR A 55 -6.710 -4.829 2.927 1.00 12.12 C ATOM 840 CD2 TYR A 55 -7.225 -2.495 2.983 1.00 42.13 C ATOM 841 CE1 TYR A 55 -8.003 -5.120 3.326 1.00 45.10 C ATOM 842 CE2 TYR A 55 -8.514 -2.791 3.386 1.00 44.54 C ATOM 843 CZ TYR A 55 -8.895 -4.102 3.553 1.00 71.40 C ATOM 844 OH TYR A 55 -10.178 -4.396 3.951 1.00 53.44 O ATOM 0 H TYR A 55 -3.869 -4.952 0.266 1.00 64.43 H new ATOM 0 HA TYR A 55 -5.430 -2.435 0.389 1.00 14.14 H new ATOM 0 HB2 TYR A 55 -4.168 -3.925 2.708 1.00 10.41 H new ATOM 0 HB3 TYR A 55 -4.555 -2.216 2.751 1.00 10.41 H new ATOM 0 HD1 TYR A 55 -6.015 -5.637 2.753 1.00 12.12 H new ATOM 0 HD2 TYR A 55 -6.936 -1.463 2.849 1.00 42.13 H new ATOM 0 HE1 TYR A 55 -8.310 -6.147 3.459 1.00 45.10 H new ATOM 0 HE2 TYR A 55 -9.220 -1.995 3.569 1.00 44.54 H new ATOM 0 HH TYR A 55 -10.815 -3.907 3.390 1.00 53.44 H new ATOM 854 N LEU A 56 -3.287 -1.443 -0.406 1.00 31.32 N ATOM 855 CA LEU A 56 -2.076 -0.767 -0.873 1.00 34.52 C ATOM 856 C LEU A 56 -1.608 0.242 0.192 1.00 42.23 C ATOM 857 O LEU A 56 -2.181 1.331 0.322 1.00 22.31 O ATOM 858 CB LEU A 56 -2.362 -0.076 -2.233 1.00 21.44 C ATOM 859 CG LEU A 56 -1.155 0.640 -2.921 1.00 74.31 C ATOM 860 CD1 LEU A 56 0.004 -0.336 -3.212 1.00 54.21 C ATOM 861 CD2 LEU A 56 -1.607 1.341 -4.210 1.00 40.34 C ATOM 0 H LEU A 56 -4.148 -1.030 -0.764 1.00 31.32 H new ATOM 0 HA LEU A 56 -1.275 -1.490 -1.025 1.00 34.52 H new ATOM 0 HB2 LEU A 56 -2.751 -0.826 -2.921 1.00 21.44 H new ATOM 0 HB3 LEU A 56 -3.153 0.658 -2.082 1.00 21.44 H new ATOM 0 HG LEU A 56 -0.781 1.391 -2.225 1.00 74.31 H new ATOM 0 HD11 LEU A 56 0.822 0.203 -3.690 1.00 54.21 H new ATOM 0 HD12 LEU A 56 0.355 -0.773 -2.277 1.00 54.21 H new ATOM 0 HD13 LEU A 56 -0.345 -1.128 -3.874 1.00 54.21 H new ATOM 0 HD21 LEU A 56 -0.753 1.834 -4.675 1.00 40.34 H new ATOM 0 HD22 LEU A 56 -2.020 0.604 -4.899 1.00 40.34 H new ATOM 0 HD23 LEU A 56 -2.369 2.083 -3.973 1.00 40.34 H new ATOM 873 N VAL A 57 -0.595 -0.158 0.975 1.00 72.40 N ATOM 874 CA VAL A 57 -0.036 0.667 2.058 1.00 44.21 C ATOM 875 C VAL A 57 1.101 1.548 1.494 1.00 42.05 C ATOM 876 O VAL A 57 2.072 1.033 0.936 1.00 51.01 O ATOM 877 CB VAL A 57 0.497 -0.223 3.246 1.00 11.35 C ATOM 878 CG1 VAL A 57 1.052 0.642 4.407 1.00 13.10 C ATOM 879 CG2 VAL A 57 -0.609 -1.184 3.748 1.00 71.33 C ATOM 0 H VAL A 57 -0.139 -1.065 0.875 1.00 72.40 H new ATOM 0 HA VAL A 57 -0.829 1.301 2.455 1.00 44.21 H new ATOM 0 HB VAL A 57 1.325 -0.821 2.865 1.00 11.35 H new ATOM 0 HG11 VAL A 57 1.409 -0.008 5.206 1.00 13.10 H new ATOM 0 HG12 VAL A 57 1.876 1.255 4.042 1.00 13.10 H new ATOM 0 HG13 VAL A 57 0.261 1.287 4.790 1.00 13.10 H new ATOM 0 HG21 VAL A 57 -0.221 -1.789 4.567 1.00 71.33 H new ATOM 0 HG22 VAL A 57 -1.463 -0.604 4.098 1.00 71.33 H new ATOM 0 HG23 VAL A 57 -0.922 -1.836 2.933 1.00 71.33 H new ATOM 889 N MET A 58 0.945 2.871 1.637 1.00 32.11 N ATOM 890 CA MET A 58 1.900 3.887 1.155 1.00 30.12 C ATOM 891 C MET A 58 2.112 4.930 2.258 1.00 62.12 C ATOM 892 O MET A 58 1.464 4.867 3.306 1.00 23.14 O ATOM 893 CB MET A 58 1.337 4.575 -0.125 1.00 25.51 C ATOM 894 CG MET A 58 0.098 5.458 0.103 1.00 24.21 C ATOM 895 SD MET A 58 -0.560 6.158 -1.424 1.00 5.23 S ATOM 896 CE MET A 58 -1.175 4.693 -2.255 1.00 52.42 C ATOM 0 H MET A 58 0.133 3.278 2.102 1.00 32.11 H new ATOM 0 HA MET A 58 2.851 3.414 0.909 1.00 30.12 H new ATOM 0 HB2 MET A 58 2.124 5.186 -0.567 1.00 25.51 H new ATOM 0 HB3 MET A 58 1.086 3.804 -0.853 1.00 25.51 H new ATOM 0 HG2 MET A 58 -0.678 4.867 0.589 1.00 24.21 H new ATOM 0 HG3 MET A 58 0.356 6.268 0.786 1.00 24.21 H new ATOM 0 HE1 MET A 58 -1.719 4.986 -3.153 1.00 52.42 H new ATOM 0 HE2 MET A 58 -0.337 4.053 -2.531 1.00 52.42 H new ATOM 0 HE3 MET A 58 -1.843 4.149 -1.587 1.00 52.42 H new ATOM 906 N ASP A 59 3.010 5.887 2.014 1.00 11.31 N ATOM 907 CA ASP A 59 3.129 7.105 2.843 1.00 54.24 C ATOM 908 C ASP A 59 2.430 8.270 2.100 1.00 2.15 C ATOM 909 O ASP A 59 2.112 8.145 0.904 1.00 72.20 O ATOM 910 CB ASP A 59 4.628 7.412 3.124 1.00 34.14 C ATOM 911 CG ASP A 59 4.835 8.530 4.169 1.00 21.33 C ATOM 912 OD1 ASP A 59 4.815 8.240 5.385 1.00 43.33 O ATOM 913 OD2 ASP A 59 4.989 9.704 3.771 1.00 74.40 O ATOM 0 H ASP A 59 3.675 5.847 1.242 1.00 11.31 H new ATOM 0 HA ASP A 59 2.644 6.964 3.809 1.00 54.24 H new ATOM 0 HB2 ASP A 59 5.119 6.503 3.472 1.00 34.14 H new ATOM 0 HB3 ASP A 59 5.114 7.700 2.192 1.00 34.14 H new ATOM 918 N GLU A 60 2.203 9.394 2.803 1.00 13.14 N ATOM 919 CA GLU A 60 1.474 10.555 2.269 1.00 13.13 C ATOM 920 C GLU A 60 2.238 11.230 1.110 1.00 75.41 C ATOM 921 O GLU A 60 1.618 11.866 0.260 1.00 23.24 O ATOM 922 CB GLU A 60 1.144 11.570 3.403 1.00 20.04 C ATOM 923 CG GLU A 60 0.223 12.728 2.972 1.00 74.34 C ATOM 924 CD GLU A 60 -0.256 13.607 4.136 1.00 63.34 C ATOM 925 OE1 GLU A 60 -1.276 13.258 4.779 1.00 63.23 O ATOM 926 OE2 GLU A 60 0.370 14.659 4.394 1.00 13.32 O ATOM 0 H GLU A 60 2.523 9.522 3.763 1.00 13.14 H new ATOM 0 HA GLU A 60 0.532 10.192 1.857 1.00 13.13 H new ATOM 0 HB2 GLU A 60 0.673 11.035 4.227 1.00 20.04 H new ATOM 0 HB3 GLU A 60 2.076 11.986 3.784 1.00 20.04 H new ATOM 0 HG2 GLU A 60 0.753 13.352 2.252 1.00 74.34 H new ATOM 0 HG3 GLU A 60 -0.646 12.317 2.459 1.00 74.34 H new ATOM 933 N ARG A 61 3.578 11.049 1.065 1.00 0.32 N ATOM 934 CA ARG A 61 4.426 11.560 -0.046 1.00 30.55 C ATOM 935 C ARG A 61 3.983 10.948 -1.387 1.00 65.04 C ATOM 936 O ARG A 61 3.865 11.644 -2.405 1.00 74.14 O ATOM 937 CB ARG A 61 5.918 11.220 0.196 1.00 3.21 C ATOM 938 CG ARG A 61 6.472 11.668 1.559 1.00 22.12 C ATOM 939 CD ARG A 61 6.315 13.171 1.846 1.00 50.34 C ATOM 940 NE ARG A 61 6.969 13.540 3.112 1.00 43.30 N ATOM 941 CZ ARG A 61 6.955 14.759 3.667 1.00 32.10 C ATOM 942 NH1 ARG A 61 6.314 15.771 3.093 1.00 44.23 N ATOM 943 NH2 ARG A 61 7.627 14.967 4.783 1.00 45.52 N ATOM 0 H ARG A 61 4.100 10.552 1.786 1.00 0.32 H new ATOM 0 HA ARG A 61 4.307 12.643 -0.082 1.00 30.55 H new ATOM 0 HB2 ARG A 61 6.049 10.142 0.103 1.00 3.21 H new ATOM 0 HB3 ARG A 61 6.513 11.682 -0.591 1.00 3.21 H new ATOM 0 HG2 ARG A 61 5.968 11.106 2.345 1.00 22.12 H new ATOM 0 HG3 ARG A 61 7.530 11.409 1.610 1.00 22.12 H new ATOM 0 HD2 ARG A 61 6.747 13.748 1.028 1.00 50.34 H new ATOM 0 HD3 ARG A 61 5.256 13.427 1.892 1.00 50.34 H new ATOM 0 HE ARG A 61 7.475 12.806 3.608 1.00 43.30 H new ATOM 0 HH11 ARG A 61 5.820 15.628 2.212 1.00 44.23 H new ATOM 0 HH12 ARG A 61 6.316 16.691 3.533 1.00 44.23 H new ATOM 0 HH21 ARG A 61 8.149 14.204 5.213 1.00 45.52 H new ATOM 0 HH22 ARG A 61 7.624 15.891 5.215 1.00 45.52 H new ATOM 957 N THR A 62 3.735 9.631 -1.346 1.00 53.21 N ATOM 958 CA THR A 62 3.232 8.862 -2.484 1.00 53.34 C ATOM 959 C THR A 62 1.782 9.280 -2.817 1.00 51.42 C ATOM 960 O THR A 62 1.424 9.417 -3.993 1.00 51.12 O ATOM 961 CB THR A 62 3.310 7.336 -2.156 1.00 12.35 C ATOM 962 OG1 THR A 62 4.646 7.003 -1.742 1.00 43.12 O ATOM 963 CG2 THR A 62 2.917 6.455 -3.346 1.00 42.34 C ATOM 0 H THR A 62 3.881 9.067 -0.509 1.00 53.21 H new ATOM 0 HA THR A 62 3.849 9.066 -3.359 1.00 53.34 H new ATOM 0 HB THR A 62 2.596 7.142 -1.355 1.00 12.35 H new ATOM 0 HG1 THR A 62 4.721 6.032 -1.629 1.00 43.12 H new ATOM 0 HG21 THR A 62 2.989 5.405 -3.061 1.00 42.34 H new ATOM 0 HG22 THR A 62 1.893 6.681 -3.643 1.00 42.34 H new ATOM 0 HG23 THR A 62 3.589 6.651 -4.182 1.00 42.34 H new ATOM 971 N TRP A 63 0.982 9.526 -1.751 1.00 2.32 N ATOM 972 CA TRP A 63 -0.422 9.962 -1.869 1.00 32.43 C ATOM 973 C TRP A 63 -0.551 11.316 -2.588 1.00 54.25 C ATOM 974 O TRP A 63 -1.540 11.533 -3.288 1.00 75.22 O ATOM 975 CB TRP A 63 -1.098 10.024 -0.473 1.00 14.02 C ATOM 976 CG TRP A 63 -2.485 10.638 -0.474 1.00 2.33 C ATOM 977 CD1 TRP A 63 -2.830 11.899 -0.056 1.00 24.45 C ATOM 978 CD2 TRP A 63 -3.700 10.034 -0.953 1.00 0.42 C ATOM 979 NE1 TRP A 63 -4.174 12.102 -0.223 1.00 32.51 N ATOM 980 CE2 TRP A 63 -4.730 10.975 -0.769 1.00 72.11 C ATOM 981 CE3 TRP A 63 -4.021 8.785 -1.507 1.00 11.25 C ATOM 982 CZ2 TRP A 63 -6.046 10.711 -1.118 1.00 35.02 C ATOM 983 CZ3 TRP A 63 -5.334 8.527 -1.855 1.00 14.11 C ATOM 984 CH2 TRP A 63 -6.332 9.485 -1.658 1.00 32.52 C ATOM 0 H TRP A 63 1.297 9.426 -0.786 1.00 2.32 H new ATOM 0 HA TRP A 63 -0.937 9.219 -2.478 1.00 32.43 H new ATOM 0 HB2 TRP A 63 -1.162 9.014 -0.069 1.00 14.02 H new ATOM 0 HB3 TRP A 63 -0.461 10.597 0.200 1.00 14.02 H new ATOM 0 HD1 TRP A 63 -2.141 12.626 0.347 1.00 24.45 H new ATOM 0 HE1 TRP A 63 -4.679 12.954 0.020 1.00 32.51 H new ATOM 0 HE3 TRP A 63 -3.256 8.038 -1.659 1.00 11.25 H new ATOM 0 HZ2 TRP A 63 -6.821 11.449 -0.969 1.00 35.02 H new ATOM 0 HZ3 TRP A 63 -5.592 7.571 -2.286 1.00 14.11 H new ATOM 0 HH2 TRP A 63 -7.349 9.254 -1.937 1.00 32.52 H new ATOM 995 N LYS A 64 0.447 12.220 -2.422 1.00 35.02 N ATOM 996 CA LYS A 64 0.447 13.532 -3.112 1.00 44.15 C ATOM 997 C LYS A 64 0.311 13.334 -4.635 1.00 40.44 C ATOM 998 O LYS A 64 -0.411 14.070 -5.317 1.00 23.13 O ATOM 999 CB LYS A 64 1.744 14.329 -2.814 1.00 0.01 C ATOM 1000 CG LYS A 64 2.058 14.554 -1.326 1.00 50.52 C ATOM 1001 CD LYS A 64 0.887 15.189 -0.531 1.00 30.04 C ATOM 1002 CE LYS A 64 1.307 15.578 0.894 1.00 12.20 C ATOM 1003 NZ LYS A 64 0.165 16.102 1.699 1.00 64.05 N ATOM 0 H LYS A 64 1.256 12.065 -1.820 1.00 35.02 H new ATOM 0 HA LYS A 64 -0.404 14.100 -2.736 1.00 44.15 H new ATOM 0 HB2 LYS A 64 2.584 13.804 -3.269 1.00 0.01 H new ATOM 0 HB3 LYS A 64 1.673 15.301 -3.303 1.00 0.01 H new ATOM 0 HG2 LYS A 64 2.319 13.599 -0.870 1.00 50.52 H new ATOM 0 HG3 LYS A 64 2.934 15.197 -1.242 1.00 50.52 H new ATOM 0 HD2 LYS A 64 0.528 16.073 -1.058 1.00 30.04 H new ATOM 0 HD3 LYS A 64 0.056 14.486 -0.485 1.00 30.04 H new ATOM 0 HE2 LYS A 64 1.733 14.708 1.395 1.00 12.20 H new ATOM 0 HE3 LYS A 64 2.091 16.334 0.846 1.00 12.20 H new ATOM 0 HZ1 LYS A 64 0.219 15.723 2.666 1.00 64.05 H new ATOM 0 HZ2 LYS A 64 0.210 17.141 1.731 1.00 64.05 H new ATOM 0 HZ3 LYS A 64 -0.732 15.808 1.262 1.00 64.05 H new ATOM 1017 N LYS A 65 0.984 12.281 -5.122 1.00 63.34 N ATOM 1018 CA LYS A 65 1.027 11.921 -6.539 1.00 11.13 C ATOM 1019 C LYS A 65 -0.255 11.166 -6.967 1.00 0.40 C ATOM 1020 O LYS A 65 -0.772 11.413 -8.053 1.00 51.24 O ATOM 1021 CB LYS A 65 2.280 11.051 -6.810 1.00 20.12 C ATOM 1022 CG LYS A 65 3.620 11.637 -6.289 1.00 11.10 C ATOM 1023 CD LYS A 65 3.983 13.009 -6.901 1.00 40.25 C ATOM 1024 CE LYS A 65 4.190 12.961 -8.427 1.00 60.22 C ATOM 1025 NZ LYS A 65 4.381 14.325 -8.995 1.00 1.30 N ATOM 0 H LYS A 65 1.521 11.648 -4.529 1.00 63.34 H new ATOM 0 HA LYS A 65 1.083 12.836 -7.129 1.00 11.13 H new ATOM 0 HB2 LYS A 65 2.128 10.073 -6.354 1.00 20.12 H new ATOM 0 HB3 LYS A 65 2.366 10.891 -7.885 1.00 20.12 H new ATOM 0 HG2 LYS A 65 3.565 11.737 -5.205 1.00 11.10 H new ATOM 0 HG3 LYS A 65 4.422 10.931 -6.504 1.00 11.10 H new ATOM 0 HD2 LYS A 65 3.191 13.722 -6.671 1.00 40.25 H new ATOM 0 HD3 LYS A 65 4.893 13.380 -6.430 1.00 40.25 H new ATOM 0 HE2 LYS A 65 5.059 12.344 -8.658 1.00 60.22 H new ATOM 0 HE3 LYS A 65 3.328 12.487 -8.897 1.00 60.22 H new ATOM 0 HZ1 LYS A 65 4.518 14.257 -10.024 1.00 1.30 H new ATOM 0 HZ2 LYS A 65 3.541 14.905 -8.795 1.00 1.30 H new ATOM 0 HZ3 LYS A 65 5.218 14.767 -8.563 1.00 1.30 H new ATOM 1039 N VAL A 66 -0.755 10.260 -6.096 1.00 30.04 N ATOM 1040 CA VAL A 66 -1.954 9.430 -6.377 1.00 23.11 C ATOM 1041 C VAL A 66 -3.210 10.315 -6.473 1.00 54.15 C ATOM 1042 O VAL A 66 -3.935 10.267 -7.471 1.00 20.52 O ATOM 1043 CB VAL A 66 -2.162 8.320 -5.273 1.00 1.44 C ATOM 1044 CG1 VAL A 66 -3.406 7.441 -5.562 1.00 63.52 C ATOM 1045 CG2 VAL A 66 -0.896 7.447 -5.133 1.00 74.25 C ATOM 0 H VAL A 66 -0.342 10.082 -5.181 1.00 30.04 H new ATOM 0 HA VAL A 66 -1.792 8.931 -7.333 1.00 23.11 H new ATOM 0 HB VAL A 66 -2.340 8.831 -4.327 1.00 1.44 H new ATOM 0 HG11 VAL A 66 -3.512 6.691 -4.778 1.00 63.52 H new ATOM 0 HG12 VAL A 66 -4.297 8.068 -5.586 1.00 63.52 H new ATOM 0 HG13 VAL A 66 -3.285 6.945 -6.525 1.00 63.52 H new ATOM 0 HG21 VAL A 66 -1.060 6.689 -4.368 1.00 74.25 H new ATOM 0 HG22 VAL A 66 -0.682 6.961 -6.085 1.00 74.25 H new ATOM 0 HG23 VAL A 66 -0.051 8.074 -4.847 1.00 74.25 H new ATOM 1055 N TYR A 67 -3.426 11.129 -5.422 1.00 25.43 N ATOM 1056 CA TYR A 67 -4.510 12.140 -5.343 1.00 14.24 C ATOM 1057 C TYR A 67 -4.519 13.055 -6.589 1.00 21.53 C ATOM 1058 O TYR A 67 -5.589 13.397 -7.123 1.00 42.54 O ATOM 1059 CB TYR A 67 -4.311 12.976 -4.044 1.00 31.13 C ATOM 1060 CG TYR A 67 -5.339 14.098 -3.781 1.00 53.34 C ATOM 1061 CD1 TYR A 67 -5.171 15.387 -4.307 1.00 73.52 C ATOM 1062 CD2 TYR A 67 -6.465 13.876 -2.989 1.00 13.41 C ATOM 1063 CE1 TYR A 67 -6.085 16.393 -4.054 1.00 54.32 C ATOM 1064 CE2 TYR A 67 -7.382 14.886 -2.735 1.00 32.53 C ATOM 1065 CZ TYR A 67 -7.187 16.141 -3.272 1.00 32.35 C ATOM 1066 OH TYR A 67 -8.099 17.152 -3.032 1.00 20.31 O ATOM 0 H TYR A 67 -2.843 11.106 -4.585 1.00 25.43 H new ATOM 0 HA TYR A 67 -5.475 11.633 -5.314 1.00 14.24 H new ATOM 0 HB2 TYR A 67 -4.326 12.294 -3.194 1.00 31.13 H new ATOM 0 HB3 TYR A 67 -3.318 13.424 -4.076 1.00 31.13 H new ATOM 0 HD1 TYR A 67 -4.309 15.598 -4.923 1.00 73.52 H new ATOM 0 HD2 TYR A 67 -6.627 12.896 -2.564 1.00 13.41 H new ATOM 0 HE1 TYR A 67 -5.933 17.378 -4.471 1.00 54.32 H new ATOM 0 HE2 TYR A 67 -8.246 14.690 -2.118 1.00 32.53 H new ATOM 0 HH TYR A 67 -8.821 16.813 -2.463 1.00 20.31 H new ATOM 1076 N ASP A 68 -3.303 13.430 -7.033 1.00 32.41 N ATOM 1077 CA ASP A 68 -3.096 14.257 -8.231 1.00 24.41 C ATOM 1078 C ASP A 68 -3.580 13.518 -9.490 1.00 45.35 C ATOM 1079 O ASP A 68 -4.389 14.057 -10.247 1.00 63.14 O ATOM 1080 CB ASP A 68 -1.602 14.641 -8.375 1.00 44.43 C ATOM 1081 CG ASP A 68 -1.311 15.469 -9.646 1.00 34.55 C ATOM 1082 OD1 ASP A 68 -1.489 16.704 -9.617 1.00 61.54 O ATOM 1083 OD2 ASP A 68 -0.917 14.890 -10.683 1.00 71.15 O ATOM 0 H ASP A 68 -2.436 13.165 -6.567 1.00 32.41 H new ATOM 0 HA ASP A 68 -3.681 15.170 -8.120 1.00 24.41 H new ATOM 0 HB2 ASP A 68 -1.293 15.210 -7.499 1.00 44.43 H new ATOM 0 HB3 ASP A 68 -0.999 13.733 -8.394 1.00 44.43 H new ATOM 1088 N LEU A 69 -3.095 12.267 -9.667 1.00 64.30 N ATOM 1089 CA LEU A 69 -3.428 11.401 -10.824 1.00 12.22 C ATOM 1090 C LEU A 69 -4.945 11.206 -10.957 1.00 54.52 C ATOM 1091 O LEU A 69 -5.480 11.169 -12.074 1.00 3.43 O ATOM 1092 CB LEU A 69 -2.739 10.012 -10.681 1.00 70.04 C ATOM 1093 CG LEU A 69 -1.191 9.999 -10.863 1.00 13.11 C ATOM 1094 CD1 LEU A 69 -0.579 8.658 -10.398 1.00 70.15 C ATOM 1095 CD2 LEU A 69 -0.815 10.305 -12.328 1.00 1.20 C ATOM 0 H LEU A 69 -2.456 11.826 -9.006 1.00 64.30 H new ATOM 0 HA LEU A 69 -3.061 11.898 -11.722 1.00 12.22 H new ATOM 0 HB2 LEU A 69 -2.973 9.612 -9.695 1.00 70.04 H new ATOM 0 HB3 LEU A 69 -3.177 9.333 -11.413 1.00 70.04 H new ATOM 0 HG LEU A 69 -0.772 10.783 -10.232 1.00 13.11 H new ATOM 0 HD11 LEU A 69 0.502 8.683 -10.539 1.00 70.15 H new ATOM 0 HD12 LEU A 69 -0.804 8.502 -9.343 1.00 70.15 H new ATOM 0 HD13 LEU A 69 -1.002 7.842 -10.984 1.00 70.15 H new ATOM 0 HD21 LEU A 69 0.270 10.292 -12.436 1.00 1.20 H new ATOM 0 HD22 LEU A 69 -1.254 9.551 -12.981 1.00 1.20 H new ATOM 0 HD23 LEU A 69 -1.195 11.289 -12.603 1.00 1.20 H new ATOM 1107 N LEU A 70 -5.613 11.081 -9.794 1.00 51.33 N ATOM 1108 CA LEU A 70 -7.068 10.926 -9.705 1.00 52.43 C ATOM 1109 C LEU A 70 -7.778 12.111 -10.392 1.00 42.14 C ATOM 1110 O LEU A 70 -8.509 11.920 -11.369 1.00 25.33 O ATOM 1111 CB LEU A 70 -7.495 10.775 -8.212 1.00 31.24 C ATOM 1112 CG LEU A 70 -7.010 9.468 -7.494 1.00 73.21 C ATOM 1113 CD1 LEU A 70 -7.351 9.485 -5.988 1.00 40.02 C ATOM 1114 CD2 LEU A 70 -7.590 8.210 -8.179 1.00 71.53 C ATOM 0 H LEU A 70 -5.149 11.085 -8.886 1.00 51.33 H new ATOM 0 HA LEU A 70 -7.370 10.020 -10.231 1.00 52.43 H new ATOM 0 HB2 LEU A 70 -7.118 11.634 -7.657 1.00 31.24 H new ATOM 0 HB3 LEU A 70 -8.583 10.814 -8.159 1.00 31.24 H new ATOM 0 HG LEU A 70 -5.924 9.431 -7.583 1.00 73.21 H new ATOM 0 HD11 LEU A 70 -6.999 8.563 -5.525 1.00 40.02 H new ATOM 0 HD12 LEU A 70 -6.864 10.338 -5.514 1.00 40.02 H new ATOM 0 HD13 LEU A 70 -8.430 9.566 -5.860 1.00 40.02 H new ATOM 0 HD21 LEU A 70 -7.237 7.318 -7.661 1.00 71.53 H new ATOM 0 HD22 LEU A 70 -8.679 8.245 -8.142 1.00 71.53 H new ATOM 0 HD23 LEU A 70 -7.263 8.178 -9.218 1.00 71.53 H new ATOM 1126 N ILE A 71 -7.467 13.337 -9.931 1.00 2.32 N ATOM 1127 CA ILE A 71 -8.081 14.583 -10.449 1.00 54.24 C ATOM 1128 C ILE A 71 -7.545 14.935 -11.866 1.00 23.20 C ATOM 1129 O ILE A 71 -8.204 15.640 -12.634 1.00 13.41 O ATOM 1130 CB ILE A 71 -7.847 15.784 -9.444 1.00 52.43 C ATOM 1131 CG1 ILE A 71 -8.277 15.368 -7.995 1.00 73.35 C ATOM 1132 CG2 ILE A 71 -8.604 17.070 -9.890 1.00 31.23 C ATOM 1133 CD1 ILE A 71 -8.115 16.451 -6.946 1.00 71.13 C ATOM 0 H ILE A 71 -6.784 13.496 -9.190 1.00 2.32 H new ATOM 0 HA ILE A 71 -9.154 14.412 -10.535 1.00 54.24 H new ATOM 0 HB ILE A 71 -6.782 16.016 -9.448 1.00 52.43 H new ATOM 0 HG12 ILE A 71 -9.321 15.057 -8.017 1.00 73.35 H new ATOM 0 HG13 ILE A 71 -7.692 14.499 -7.693 1.00 73.35 H new ATOM 0 HG21 ILE A 71 -8.417 17.870 -9.173 1.00 31.23 H new ATOM 0 HG22 ILE A 71 -8.252 17.376 -10.875 1.00 31.23 H new ATOM 0 HG23 ILE A 71 -9.674 16.866 -9.934 1.00 31.23 H new ATOM 0 HD11 ILE A 71 -8.438 16.070 -5.977 1.00 71.13 H new ATOM 0 HD12 ILE A 71 -7.068 16.748 -6.889 1.00 71.13 H new ATOM 0 HD13 ILE A 71 -8.723 17.314 -7.217 1.00 71.13 H new ATOM 1145 N LEU A 72 -6.356 14.405 -12.212 1.00 23.44 N ATOM 1146 CA LEU A 72 -5.697 14.648 -13.514 1.00 14.15 C ATOM 1147 C LEU A 72 -6.429 13.878 -14.632 1.00 64.01 C ATOM 1148 O LEU A 72 -6.678 14.426 -15.711 1.00 61.11 O ATOM 1149 CB LEU A 72 -4.184 14.264 -13.411 1.00 1.35 C ATOM 1150 CG LEU A 72 -3.219 14.675 -14.590 1.00 44.24 C ATOM 1151 CD1 LEU A 72 -3.234 13.658 -15.759 1.00 72.13 C ATOM 1152 CD2 LEU A 72 -3.509 16.123 -15.095 1.00 43.11 C ATOM 0 H LEU A 72 -5.822 13.793 -11.595 1.00 23.44 H new ATOM 0 HA LEU A 72 -5.752 15.706 -13.771 1.00 14.15 H new ATOM 0 HB2 LEU A 72 -3.792 14.704 -12.494 1.00 1.35 H new ATOM 0 HB3 LEU A 72 -4.124 13.182 -13.296 1.00 1.35 H new ATOM 0 HG LEU A 72 -2.211 14.661 -14.177 1.00 44.24 H new ATOM 0 HD11 LEU A 72 -2.552 13.992 -16.541 1.00 72.13 H new ATOM 0 HD12 LEU A 72 -2.918 12.681 -15.395 1.00 72.13 H new ATOM 0 HD13 LEU A 72 -4.243 13.585 -16.165 1.00 72.13 H new ATOM 0 HD21 LEU A 72 -2.824 16.369 -15.907 1.00 43.11 H new ATOM 0 HD22 LEU A 72 -4.536 16.184 -15.455 1.00 43.11 H new ATOM 0 HD23 LEU A 72 -3.370 16.829 -14.276 1.00 43.11 H new ATOM 1164 N HIS A 73 -6.797 12.619 -14.344 1.00 44.23 N ATOM 1165 CA HIS A 73 -7.519 11.760 -15.302 1.00 23.11 C ATOM 1166 C HIS A 73 -9.009 12.150 -15.335 1.00 24.33 C ATOM 1167 O HIS A 73 -9.504 12.613 -16.369 1.00 22.12 O ATOM 1168 CB HIS A 73 -7.361 10.259 -14.921 1.00 3.33 C ATOM 1169 CG HIS A 73 -6.017 9.661 -15.238 1.00 75.31 C ATOM 1170 ND1 HIS A 73 -5.865 8.487 -15.942 1.00 15.24 N ATOM 1171 CD2 HIS A 73 -4.763 10.070 -14.932 1.00 1.31 C ATOM 1172 CE1 HIS A 73 -4.586 8.207 -16.054 1.00 61.35 C ATOM 1173 NE2 HIS A 73 -3.896 9.148 -15.452 1.00 74.12 N ATOM 0 H HIS A 73 -6.605 12.169 -13.449 1.00 44.23 H new ATOM 0 HA HIS A 73 -7.091 11.907 -16.294 1.00 23.11 H new ATOM 0 HB2 HIS A 73 -7.548 10.149 -13.853 1.00 3.33 H new ATOM 0 HB3 HIS A 73 -8.129 9.685 -15.440 1.00 3.33 H new ATOM 0 HD2 HIS A 73 -4.497 10.959 -14.380 1.00 1.31 H new ATOM 0 HE1 HIS A 73 -4.171 7.346 -16.557 1.00 61.35 H new ATOM 0 HE2 HIS A 73 -2.879 9.186 -15.383 1.00 74.12 H new ATOM 1182 N ASP A 74 -9.662 11.981 -14.166 1.00 32.33 N ATOM 1183 CA ASP A 74 -11.085 12.294 -13.911 1.00 12.22 C ATOM 1184 C ASP A 74 -11.496 11.551 -12.638 1.00 34.31 C ATOM 1185 O ASP A 74 -11.724 10.337 -12.681 1.00 70.23 O ATOM 1186 CB ASP A 74 -12.052 11.897 -15.077 1.00 5.22 C ATOM 1187 CG ASP A 74 -13.526 12.247 -14.794 1.00 22.14 C ATOM 1188 OD1 ASP A 74 -13.828 13.433 -14.530 1.00 11.31 O ATOM 1189 OD2 ASP A 74 -14.388 11.343 -14.823 1.00 3.24 O ATOM 0 H ASP A 74 -9.194 11.608 -13.340 1.00 32.33 H new ATOM 0 HA ASP A 74 -11.171 13.376 -13.814 1.00 12.22 H new ATOM 0 HB2 ASP A 74 -11.735 12.401 -15.990 1.00 5.22 H new ATOM 0 HB3 ASP A 74 -11.969 10.826 -15.259 1.00 5.22 H new ATOM 1194 N PHE A 75 -11.502 12.278 -11.511 1.00 50.10 N ATOM 1195 CA PHE A 75 -11.904 11.771 -10.182 1.00 22.13 C ATOM 1196 C PHE A 75 -11.766 12.944 -9.202 1.00 22.33 C ATOM 1197 O PHE A 75 -10.711 13.134 -8.588 1.00 62.43 O ATOM 1198 CB PHE A 75 -11.033 10.548 -9.744 1.00 51.43 C ATOM 1199 CG PHE A 75 -11.571 9.698 -8.590 1.00 21.44 C ATOM 1200 CD1 PHE A 75 -12.754 8.979 -8.730 1.00 11.13 C ATOM 1201 CD2 PHE A 75 -10.876 9.576 -7.390 1.00 65.02 C ATOM 1202 CE1 PHE A 75 -13.219 8.174 -7.704 1.00 25.41 C ATOM 1203 CE2 PHE A 75 -11.336 8.766 -6.373 1.00 41.53 C ATOM 1204 CZ PHE A 75 -12.505 8.069 -6.530 1.00 74.12 C ATOM 0 H PHE A 75 -11.222 13.259 -11.493 1.00 50.10 H new ATOM 0 HA PHE A 75 -12.931 11.407 -10.204 1.00 22.13 H new ATOM 0 HB2 PHE A 75 -10.897 9.900 -10.610 1.00 51.43 H new ATOM 0 HB3 PHE A 75 -10.046 10.916 -9.464 1.00 51.43 H new ATOM 0 HD1 PHE A 75 -13.316 9.050 -9.650 1.00 11.13 H new ATOM 0 HD2 PHE A 75 -9.957 10.127 -7.253 1.00 65.02 H new ATOM 0 HE1 PHE A 75 -14.143 7.627 -7.824 1.00 25.41 H new ATOM 0 HE2 PHE A 75 -10.775 8.681 -5.454 1.00 41.53 H new ATOM 0 HZ PHE A 75 -12.867 7.437 -5.733 1.00 74.12 H new ATOM 1214 N THR A 76 -12.827 13.767 -9.151 1.00 64.34 N ATOM 1215 CA THR A 76 -12.898 15.020 -8.370 1.00 24.14 C ATOM 1216 C THR A 76 -12.515 14.801 -6.873 1.00 73.14 C ATOM 1217 O THR A 76 -12.687 13.684 -6.351 1.00 4.25 O ATOM 1218 CB THR A 76 -14.361 15.613 -8.485 1.00 72.12 C ATOM 1219 OG1 THR A 76 -14.475 16.920 -7.892 1.00 14.13 O ATOM 1220 CG2 THR A 76 -15.396 14.692 -7.841 1.00 22.44 C ATOM 0 H THR A 76 -13.686 13.576 -9.666 1.00 64.34 H new ATOM 0 HA THR A 76 -12.174 15.724 -8.781 1.00 24.14 H new ATOM 0 HB THR A 76 -14.559 15.695 -9.554 1.00 72.12 H new ATOM 0 HG1 THR A 76 -15.395 17.244 -7.989 1.00 14.13 H new ATOM 0 HG21 THR A 76 -16.388 15.133 -7.940 1.00 22.44 H new ATOM 0 HG22 THR A 76 -15.379 13.722 -8.338 1.00 22.44 H new ATOM 0 HG23 THR A 76 -15.161 14.563 -6.785 1.00 22.44 H new ATOM 1228 N PRO A 77 -12.009 15.868 -6.154 1.00 73.34 N ATOM 1229 CA PRO A 77 -11.666 15.795 -4.699 1.00 51.04 C ATOM 1230 C PRO A 77 -12.855 15.310 -3.859 1.00 72.14 C ATOM 1231 O PRO A 77 -12.667 14.674 -2.831 1.00 50.22 O ATOM 1232 CB PRO A 77 -11.289 17.265 -4.343 1.00 50.12 C ATOM 1233 CG PRO A 77 -11.917 18.078 -5.439 1.00 50.52 C ATOM 1234 CD PRO A 77 -11.732 17.238 -6.675 1.00 73.42 C ATOM 0 HA PRO A 77 -10.865 15.085 -4.493 1.00 51.04 H new ATOM 0 HB2 PRO A 77 -11.675 17.550 -3.364 1.00 50.12 H new ATOM 0 HB3 PRO A 77 -10.208 17.404 -4.313 1.00 50.12 H new ATOM 0 HG2 PRO A 77 -12.972 18.267 -5.240 1.00 50.52 H new ATOM 0 HG3 PRO A 77 -11.433 19.049 -5.542 1.00 50.52 H new ATOM 0 HD2 PRO A 77 -12.423 17.521 -7.469 1.00 73.42 H new ATOM 0 HD3 PRO A 77 -10.725 17.325 -7.082 1.00 73.42 H new ATOM 1242 N GLU A 78 -14.065 15.604 -4.363 1.00 72.44 N ATOM 1243 CA GLU A 78 -15.343 15.267 -3.734 1.00 33.43 C ATOM 1244 C GLU A 78 -15.555 13.751 -3.615 1.00 40.34 C ATOM 1245 O GLU A 78 -16.102 13.278 -2.611 1.00 64.02 O ATOM 1246 CB GLU A 78 -16.460 15.931 -4.564 1.00 50.00 C ATOM 1247 CG GLU A 78 -16.392 17.472 -4.541 1.00 12.40 C ATOM 1248 CD GLU A 78 -16.942 18.074 -3.238 1.00 73.31 C ATOM 1249 OE1 GLU A 78 -18.182 18.174 -3.105 1.00 41.03 O ATOM 1250 OE2 GLU A 78 -16.149 18.429 -2.340 1.00 10.41 O ATOM 0 H GLU A 78 -14.179 16.099 -5.248 1.00 72.44 H new ATOM 0 HA GLU A 78 -15.355 15.642 -2.711 1.00 33.43 H new ATOM 0 HB2 GLU A 78 -16.393 15.585 -5.596 1.00 50.00 H new ATOM 0 HB3 GLU A 78 -17.429 15.610 -4.182 1.00 50.00 H new ATOM 0 HG2 GLU A 78 -15.357 17.787 -4.673 1.00 12.40 H new ATOM 0 HG3 GLU A 78 -16.956 17.868 -5.385 1.00 12.40 H new ATOM 1257 N GLU A 79 -15.124 12.994 -4.640 1.00 61.34 N ATOM 1258 CA GLU A 79 -15.162 11.522 -4.604 1.00 24.33 C ATOM 1259 C GLU A 79 -14.128 10.987 -3.603 1.00 14.43 C ATOM 1260 O GLU A 79 -14.456 10.170 -2.737 1.00 31.21 O ATOM 1261 CB GLU A 79 -14.898 10.918 -6.008 1.00 31.24 C ATOM 1262 CG GLU A 79 -16.021 11.153 -7.031 1.00 13.01 C ATOM 1263 CD GLU A 79 -17.381 10.594 -6.573 1.00 52.30 C ATOM 1264 OE1 GLU A 79 -17.574 9.360 -6.620 1.00 23.33 O ATOM 1265 OE2 GLU A 79 -18.260 11.383 -6.155 1.00 12.02 O ATOM 0 H GLU A 79 -14.745 13.379 -5.505 1.00 61.34 H new ATOM 0 HA GLU A 79 -16.160 11.222 -4.285 1.00 24.33 H new ATOM 0 HB2 GLU A 79 -13.973 11.339 -6.401 1.00 31.24 H new ATOM 0 HB3 GLU A 79 -14.740 9.845 -5.903 1.00 31.24 H new ATOM 0 HG2 GLU A 79 -16.118 12.223 -7.216 1.00 13.01 H new ATOM 0 HG3 GLU A 79 -15.745 10.690 -7.978 1.00 13.01 H new ATOM 1272 N ILE A 80 -12.898 11.519 -3.722 1.00 4.34 N ATOM 1273 CA ILE A 80 -11.728 11.094 -2.938 1.00 32.01 C ATOM 1274 C ILE A 80 -12.017 11.185 -1.424 1.00 62.12 C ATOM 1275 O ILE A 80 -11.965 10.182 -0.701 1.00 54.50 O ATOM 1276 CB ILE A 80 -10.476 11.976 -3.306 1.00 31.11 C ATOM 1277 CG1 ILE A 80 -10.208 11.938 -4.848 1.00 15.23 C ATOM 1278 CG2 ILE A 80 -9.232 11.524 -2.512 1.00 71.24 C ATOM 1279 CD1 ILE A 80 -9.099 12.854 -5.333 1.00 70.32 C ATOM 0 H ILE A 80 -12.687 12.270 -4.379 1.00 4.34 H new ATOM 0 HA ILE A 80 -11.513 10.054 -3.183 1.00 32.01 H new ATOM 0 HB ILE A 80 -10.690 13.008 -3.027 1.00 31.11 H new ATOM 0 HG12 ILE A 80 -9.963 10.915 -5.133 1.00 15.23 H new ATOM 0 HG13 ILE A 80 -11.129 12.202 -5.368 1.00 15.23 H new ATOM 0 HG21 ILE A 80 -8.381 12.148 -2.783 1.00 71.24 H new ATOM 0 HG22 ILE A 80 -9.427 11.621 -1.444 1.00 71.24 H new ATOM 0 HG23 ILE A 80 -9.009 10.483 -2.747 1.00 71.24 H new ATOM 0 HD11 ILE A 80 -8.991 12.755 -6.413 1.00 70.32 H new ATOM 0 HD12 ILE A 80 -9.346 13.887 -5.086 1.00 70.32 H new ATOM 0 HD13 ILE A 80 -8.162 12.579 -4.848 1.00 70.32 H new ATOM 1291 N LYS A 81 -12.398 12.399 -0.991 1.00 64.03 N ATOM 1292 CA LYS A 81 -12.684 12.715 0.419 1.00 51.04 C ATOM 1293 C LYS A 81 -13.905 11.924 0.944 1.00 72.42 C ATOM 1294 O LYS A 81 -14.000 11.667 2.139 1.00 41.43 O ATOM 1295 CB LYS A 81 -12.892 14.247 0.580 1.00 23.34 C ATOM 1296 CG LYS A 81 -14.159 14.798 -0.119 1.00 44.31 C ATOM 1297 CD LYS A 81 -14.143 16.330 -0.339 1.00 11.43 C ATOM 1298 CE LYS A 81 -14.111 17.145 0.959 1.00 43.42 C ATOM 1299 NZ LYS A 81 -15.296 16.890 1.822 1.00 5.44 N ATOM 0 H LYS A 81 -12.517 13.196 -1.616 1.00 64.03 H new ATOM 0 HA LYS A 81 -11.829 12.410 1.022 1.00 51.04 H new ATOM 0 HB2 LYS A 81 -12.946 14.484 1.643 1.00 23.34 H new ATOM 0 HB3 LYS A 81 -12.019 14.764 0.182 1.00 23.34 H new ATOM 0 HG2 LYS A 81 -14.272 14.304 -1.084 1.00 44.31 H new ATOM 0 HG3 LYS A 81 -15.033 14.536 0.478 1.00 44.31 H new ATOM 0 HD2 LYS A 81 -13.273 16.591 -0.942 1.00 11.43 H new ATOM 0 HD3 LYS A 81 -15.025 16.614 -0.913 1.00 11.43 H new ATOM 0 HE2 LYS A 81 -13.204 16.904 1.513 1.00 43.42 H new ATOM 0 HE3 LYS A 81 -14.064 18.207 0.716 1.00 43.42 H new ATOM 0 HZ1 LYS A 81 -15.372 17.641 2.538 1.00 5.44 H new ATOM 0 HZ2 LYS A 81 -16.156 16.880 1.237 1.00 5.44 H new ATOM 0 HZ3 LYS A 81 -15.189 15.970 2.295 1.00 5.44 H new ATOM 1313 N SER A 82 -14.809 11.509 0.030 1.00 62.11 N ATOM 1314 CA SER A 82 -16.018 10.734 0.380 1.00 20.32 C ATOM 1315 C SER A 82 -15.678 9.257 0.684 1.00 41.42 C ATOM 1316 O SER A 82 -16.419 8.590 1.405 1.00 71.21 O ATOM 1317 CB SER A 82 -17.048 10.840 -0.768 1.00 62.24 C ATOM 1318 OG SER A 82 -18.278 10.205 -0.453 1.00 21.21 O ATOM 0 H SER A 82 -14.721 11.701 -0.968 1.00 62.11 H new ATOM 0 HA SER A 82 -16.449 11.155 1.288 1.00 20.32 H new ATOM 0 HB2 SER A 82 -17.232 11.891 -0.991 1.00 62.24 H new ATOM 0 HB3 SER A 82 -16.631 10.391 -1.669 1.00 62.24 H new ATOM 0 HG SER A 82 -18.897 10.299 -1.207 1.00 21.21 H new ATOM 1324 N PHE A 83 -14.559 8.748 0.129 1.00 44.03 N ATOM 1325 CA PHE A 83 -14.059 7.387 0.467 1.00 25.10 C ATOM 1326 C PHE A 83 -13.321 7.381 1.821 1.00 54.22 C ATOM 1327 O PHE A 83 -13.006 6.310 2.340 1.00 2.42 O ATOM 1328 CB PHE A 83 -13.164 6.805 -0.655 1.00 24.42 C ATOM 1329 CG PHE A 83 -13.938 6.399 -1.912 1.00 20.13 C ATOM 1330 CD1 PHE A 83 -14.668 5.208 -1.945 1.00 43.02 C ATOM 1331 CD2 PHE A 83 -13.956 7.204 -3.046 1.00 72.52 C ATOM 1332 CE1 PHE A 83 -15.379 4.840 -3.071 1.00 24.20 C ATOM 1333 CE2 PHE A 83 -14.673 6.835 -4.171 1.00 10.41 C ATOM 1334 CZ PHE A 83 -15.381 5.655 -4.183 1.00 32.44 C ATOM 0 H PHE A 83 -13.985 9.248 -0.549 1.00 44.03 H new ATOM 0 HA PHE A 83 -14.932 6.740 0.556 1.00 25.10 H new ATOM 0 HB2 PHE A 83 -12.410 7.544 -0.926 1.00 24.42 H new ATOM 0 HB3 PHE A 83 -12.633 5.935 -0.269 1.00 24.42 H new ATOM 0 HD1 PHE A 83 -14.677 4.565 -1.077 1.00 43.02 H new ATOM 0 HD2 PHE A 83 -13.402 8.131 -3.049 1.00 72.52 H new ATOM 0 HE1 PHE A 83 -15.934 3.913 -3.080 1.00 24.20 H new ATOM 0 HE2 PHE A 83 -14.677 7.475 -5.041 1.00 10.41 H new ATOM 0 HZ PHE A 83 -15.938 5.368 -5.063 1.00 32.44 H new ATOM 1344 N PHE A 84 -13.016 8.578 2.352 1.00 4.13 N ATOM 1345 CA PHE A 84 -12.622 8.760 3.768 1.00 71.10 C ATOM 1346 C PHE A 84 -13.894 8.838 4.633 1.00 50.13 C ATOM 1347 O PHE A 84 -14.014 8.181 5.672 1.00 75.41 O ATOM 1348 CB PHE A 84 -11.787 10.060 3.962 1.00 21.44 C ATOM 1349 CG PHE A 84 -10.423 10.058 3.272 1.00 33.31 C ATOM 1350 CD1 PHE A 84 -10.296 10.421 1.934 1.00 3.25 C ATOM 1351 CD2 PHE A 84 -9.266 9.697 3.966 1.00 54.40 C ATOM 1352 CE1 PHE A 84 -9.065 10.426 1.311 1.00 33.12 C ATOM 1353 CE2 PHE A 84 -8.035 9.700 3.340 1.00 73.01 C ATOM 1354 CZ PHE A 84 -7.937 10.066 2.013 1.00 4.52 C ATOM 0 H PHE A 84 -13.034 9.446 1.817 1.00 4.13 H new ATOM 0 HA PHE A 84 -12.005 7.913 4.068 1.00 71.10 H new ATOM 0 HB2 PHE A 84 -12.365 10.905 3.589 1.00 21.44 H new ATOM 0 HB3 PHE A 84 -11.638 10.223 5.029 1.00 21.44 H new ATOM 0 HD1 PHE A 84 -11.176 10.703 1.374 1.00 3.25 H new ATOM 0 HD2 PHE A 84 -9.335 9.412 5.005 1.00 54.40 H new ATOM 0 HE1 PHE A 84 -8.986 10.712 0.273 1.00 33.12 H new ATOM 0 HE2 PHE A 84 -7.149 9.416 3.889 1.00 73.01 H new ATOM 0 HZ PHE A 84 -6.974 10.070 1.525 1.00 4.52 H new ATOM 1364 N GLU A 85 -14.842 9.661 4.159 1.00 75.22 N ATOM 1365 CA GLU A 85 -16.120 9.953 4.837 1.00 20.02 C ATOM 1366 C GLU A 85 -17.180 8.891 4.478 1.00 70.12 C ATOM 1367 O GLU A 85 -18.212 9.203 3.863 1.00 41.43 O ATOM 1368 CB GLU A 85 -16.596 11.375 4.406 1.00 54.40 C ATOM 1369 CG GLU A 85 -15.619 12.511 4.761 1.00 45.21 C ATOM 1370 CD GLU A 85 -15.981 13.859 4.109 1.00 22.22 C ATOM 1371 OE1 GLU A 85 -17.041 14.432 4.442 1.00 72.02 O ATOM 1372 OE2 GLU A 85 -15.206 14.355 3.265 1.00 44.14 O ATOM 0 H GLU A 85 -14.741 10.155 3.272 1.00 75.22 H new ATOM 0 HA GLU A 85 -15.979 9.925 5.917 1.00 20.02 H new ATOM 0 HB2 GLU A 85 -16.761 11.378 3.328 1.00 54.40 H new ATOM 0 HB3 GLU A 85 -17.558 11.580 4.876 1.00 54.40 H new ATOM 0 HG2 GLU A 85 -15.596 12.635 5.844 1.00 45.21 H new ATOM 0 HG3 GLU A 85 -14.614 12.225 4.451 1.00 45.21 H new ATOM 1444 N ARG A 90 -16.733 0.421 5.861 1.00 63.41 N ATOM 1445 CA ARG A 90 -15.294 0.718 5.970 1.00 63.24 C ATOM 1446 C ARG A 90 -14.878 1.798 4.943 1.00 30.23 C ATOM 1447 O ARG A 90 -15.255 1.692 3.768 1.00 42.22 O ATOM 1448 CB ARG A 90 -14.457 -0.569 5.726 1.00 60.40 C ATOM 1449 CG ARG A 90 -12.919 -0.353 5.745 1.00 44.12 C ATOM 1450 CD ARG A 90 -12.132 -1.613 5.360 1.00 74.43 C ATOM 1451 NE ARG A 90 -12.359 -2.722 6.310 1.00 61.31 N ATOM 1452 CZ ARG A 90 -12.823 -3.941 5.992 1.00 41.32 C ATOM 1453 NH1 ARG A 90 -13.127 -4.252 4.732 1.00 62.13 N ATOM 1454 NH2 ARG A 90 -12.956 -4.857 6.940 1.00 4.40 N ATOM 0 HA ARG A 90 -15.103 1.091 6.976 1.00 63.24 H new ATOM 0 HB2 ARG A 90 -14.717 -1.305 6.487 1.00 60.40 H new ATOM 0 HB3 ARG A 90 -14.739 -0.993 4.762 1.00 60.40 H new ATOM 0 HG2 ARG A 90 -12.662 0.453 5.058 1.00 44.12 H new ATOM 0 HG3 ARG A 90 -12.615 -0.032 6.741 1.00 44.12 H new ATOM 0 HD2 ARG A 90 -12.422 -1.929 4.358 1.00 74.43 H new ATOM 0 HD3 ARG A 90 -11.068 -1.379 5.324 1.00 74.43 H new ATOM 0 HE ARG A 90 -12.145 -2.546 7.292 1.00 61.31 H new ATOM 0 HH11 ARG A 90 -13.008 -3.559 3.993 1.00 62.13 H new ATOM 0 HH12 ARG A 90 -13.478 -5.183 4.507 1.00 62.13 H new ATOM 0 HH21 ARG A 90 -12.707 -4.634 7.903 1.00 4.40 H new ATOM 0 HH22 ARG A 90 -13.308 -5.785 6.706 1.00 4.40 H new ATOM 1468 N PRO A 91 -14.133 2.866 5.373 1.00 22.52 N ATOM 1469 CA PRO A 91 -13.514 3.818 4.430 1.00 24.31 C ATOM 1470 C PRO A 91 -12.503 3.108 3.506 1.00 51.21 C ATOM 1471 O PRO A 91 -11.607 2.408 3.990 1.00 5.53 O ATOM 1472 CB PRO A 91 -12.825 4.866 5.354 1.00 42.14 C ATOM 1473 CG PRO A 91 -13.498 4.712 6.690 1.00 63.35 C ATOM 1474 CD PRO A 91 -13.858 3.246 6.791 1.00 32.44 C ATOM 0 HA PRO A 91 -14.236 4.278 3.756 1.00 24.31 H new ATOM 0 HB2 PRO A 91 -11.753 4.682 5.429 1.00 42.14 H new ATOM 0 HB3 PRO A 91 -12.948 5.877 4.965 1.00 42.14 H new ATOM 0 HG2 PRO A 91 -12.834 5.010 7.501 1.00 63.35 H new ATOM 0 HG3 PRO A 91 -14.386 5.340 6.757 1.00 63.35 H new ATOM 0 HD2 PRO A 91 -13.043 2.659 7.215 1.00 32.44 H new ATOM 0 HD3 PRO A 91 -14.729 3.088 7.427 1.00 32.44 H new ATOM 1482 N VAL A 92 -12.687 3.256 2.183 1.00 32.14 N ATOM 1483 CA VAL A 92 -11.772 2.680 1.180 1.00 3.10 C ATOM 1484 C VAL A 92 -10.408 3.394 1.264 1.00 52.50 C ATOM 1485 O VAL A 92 -9.353 2.761 1.226 1.00 40.05 O ATOM 1486 CB VAL A 92 -12.382 2.783 -0.268 1.00 51.30 C ATOM 1487 CG1 VAL A 92 -11.408 2.267 -1.355 1.00 34.04 C ATOM 1488 CG2 VAL A 92 -13.739 2.036 -0.341 1.00 32.21 C ATOM 0 H VAL A 92 -13.468 3.774 1.780 1.00 32.14 H new ATOM 0 HA VAL A 92 -11.630 1.621 1.393 1.00 3.10 H new ATOM 0 HB VAL A 92 -12.552 3.840 -0.473 1.00 51.30 H new ATOM 0 HG11 VAL A 92 -11.875 2.359 -2.335 1.00 34.04 H new ATOM 0 HG12 VAL A 92 -10.492 2.857 -1.333 1.00 34.04 H new ATOM 0 HG13 VAL A 92 -11.170 1.221 -1.163 1.00 34.04 H new ATOM 0 HG21 VAL A 92 -14.146 2.118 -1.349 1.00 32.21 H new ATOM 0 HG22 VAL A 92 -13.589 0.985 -0.094 1.00 32.21 H new ATOM 0 HG23 VAL A 92 -14.437 2.479 0.369 1.00 32.21 H new ATOM 1498 N PHE A 93 -10.455 4.726 1.404 1.00 24.02 N ATOM 1499 CA PHE A 93 -9.260 5.548 1.637 1.00 13.12 C ATOM 1500 C PHE A 93 -9.140 5.837 3.145 1.00 23.33 C ATOM 1501 O PHE A 93 -9.950 6.584 3.705 1.00 61.23 O ATOM 1502 CB PHE A 93 -9.335 6.871 0.830 1.00 42.34 C ATOM 1503 CG PHE A 93 -9.421 6.746 -0.703 1.00 64.32 C ATOM 1504 CD1 PHE A 93 -9.115 5.557 -1.375 1.00 63.40 C ATOM 1505 CD2 PHE A 93 -9.805 7.845 -1.473 1.00 34.40 C ATOM 1506 CE1 PHE A 93 -9.197 5.478 -2.755 1.00 25.12 C ATOM 1507 CE2 PHE A 93 -9.886 7.760 -2.853 1.00 62.02 C ATOM 1508 CZ PHE A 93 -9.583 6.579 -3.491 1.00 4.03 C ATOM 0 H PHE A 93 -11.321 5.263 1.359 1.00 24.02 H new ATOM 0 HA PHE A 93 -8.377 5.006 1.299 1.00 13.12 H new ATOM 0 HB2 PHE A 93 -10.205 7.430 1.175 1.00 42.34 H new ATOM 0 HB3 PHE A 93 -8.456 7.468 1.073 1.00 42.34 H new ATOM 0 HD1 PHE A 93 -8.811 4.689 -0.809 1.00 63.40 H new ATOM 0 HD2 PHE A 93 -10.043 8.778 -0.984 1.00 34.40 H new ATOM 0 HE1 PHE A 93 -8.958 4.552 -3.257 1.00 25.12 H new ATOM 0 HE2 PHE A 93 -10.187 8.622 -3.429 1.00 62.02 H new ATOM 0 HZ PHE A 93 -9.647 6.514 -4.567 1.00 4.03 H new ATOM 1518 N VAL A 94 -8.162 5.198 3.802 1.00 60.01 N ATOM 1519 CA VAL A 94 -7.852 5.411 5.231 1.00 2.33 C ATOM 1520 C VAL A 94 -6.477 6.103 5.353 1.00 21.41 C ATOM 1521 O VAL A 94 -5.624 5.937 4.475 1.00 61.00 O ATOM 1522 CB VAL A 94 -7.836 4.038 6.018 1.00 2.13 C ATOM 1523 CG1 VAL A 94 -7.510 4.241 7.513 1.00 4.15 C ATOM 1524 CG2 VAL A 94 -9.176 3.284 5.860 1.00 51.45 C ATOM 0 H VAL A 94 -7.555 4.511 3.356 1.00 60.01 H new ATOM 0 HA VAL A 94 -8.626 6.042 5.669 1.00 2.33 H new ATOM 0 HB VAL A 94 -7.045 3.430 5.579 1.00 2.13 H new ATOM 0 HG11 VAL A 94 -7.508 3.276 8.019 1.00 4.15 H new ATOM 0 HG12 VAL A 94 -6.528 4.704 7.612 1.00 4.15 H new ATOM 0 HG13 VAL A 94 -8.263 4.887 7.965 1.00 4.15 H new ATOM 0 HG21 VAL A 94 -9.133 2.345 6.412 1.00 51.45 H new ATOM 0 HG22 VAL A 94 -9.987 3.898 6.251 1.00 51.45 H new ATOM 0 HG23 VAL A 94 -9.354 3.076 4.805 1.00 51.45 H new ATOM 1534 N LYS A 95 -6.269 6.877 6.438 1.00 41.05 N ATOM 1535 CA LYS A 95 -4.971 7.515 6.740 1.00 35.02 C ATOM 1536 C LYS A 95 -4.714 7.553 8.256 1.00 51.10 C ATOM 1537 O LYS A 95 -5.596 7.223 9.062 1.00 22.41 O ATOM 1538 CB LYS A 95 -4.899 8.947 6.152 1.00 42.34 C ATOM 1539 CG LYS A 95 -5.940 9.946 6.712 1.00 5.40 C ATOM 1540 CD LYS A 95 -5.699 11.393 6.214 1.00 42.11 C ATOM 1541 CE LYS A 95 -4.377 11.990 6.738 1.00 24.12 C ATOM 1542 NZ LYS A 95 -4.046 13.295 6.103 1.00 4.42 N ATOM 0 H LYS A 95 -6.994 7.077 7.127 1.00 41.05 H new ATOM 0 HA LYS A 95 -4.194 6.911 6.271 1.00 35.02 H new ATOM 0 HB2 LYS A 95 -3.902 9.347 6.334 1.00 42.34 H new ATOM 0 HB3 LYS A 95 -5.025 8.885 5.071 1.00 42.34 H new ATOM 0 HG2 LYS A 95 -6.940 9.626 6.420 1.00 5.40 H new ATOM 0 HG3 LYS A 95 -5.906 9.929 7.801 1.00 5.40 H new ATOM 0 HD2 LYS A 95 -5.690 11.401 5.124 1.00 42.11 H new ATOM 0 HD3 LYS A 95 -6.529 12.025 6.530 1.00 42.11 H new ATOM 0 HE2 LYS A 95 -4.445 12.123 7.818 1.00 24.12 H new ATOM 0 HE3 LYS A 95 -3.566 11.285 6.554 1.00 24.12 H new ATOM 0 HZ1 LYS A 95 -3.158 13.660 6.503 1.00 4.42 H new ATOM 0 HZ2 LYS A 95 -3.936 13.164 5.077 1.00 4.42 H new ATOM 0 HZ3 LYS A 95 -4.812 13.974 6.285 1.00 4.42 H new ATOM 1556 N GLY A 96 -3.487 7.951 8.614 1.00 63.25 N ATOM 1557 CA GLY A 96 -3.061 8.087 10.005 1.00 70.11 C ATOM 1558 C GLY A 96 -1.624 7.628 10.163 1.00 64.51 C ATOM 1559 O GLY A 96 -0.821 7.818 9.254 1.00 30.02 O ATOM 0 H GLY A 96 -2.760 8.188 7.939 1.00 63.25 H new ATOM 0 HA2 GLY A 96 -3.155 9.126 10.321 1.00 70.11 H new ATOM 0 HA3 GLY A 96 -3.711 7.497 10.651 1.00 70.11 H new ATOM 1563 N SER A 97 -1.286 7.061 11.329 1.00 65.24 N ATOM 1564 CA SER A 97 -0.027 6.311 11.517 1.00 43.41 C ATOM 1565 C SER A 97 -0.173 4.912 10.870 1.00 23.23 C ATOM 1566 O SER A 97 -1.271 4.553 10.430 1.00 44.45 O ATOM 1567 CB SER A 97 0.281 6.213 13.032 1.00 42.44 C ATOM 1568 OG SER A 97 1.504 5.544 13.285 1.00 71.14 O ATOM 0 H SER A 97 -1.869 7.106 12.165 1.00 65.24 H new ATOM 0 HA SER A 97 0.806 6.823 11.035 1.00 43.41 H new ATOM 0 HB2 SER A 97 0.321 7.215 13.459 1.00 42.44 H new ATOM 0 HB3 SER A 97 -0.531 5.686 13.533 1.00 42.44 H new ATOM 0 HG SER A 97 1.662 5.505 14.251 1.00 71.14 H new ATOM 1574 N LEU A 98 0.920 4.127 10.811 1.00 63.11 N ATOM 1575 CA LEU A 98 0.892 2.773 10.212 1.00 33.25 C ATOM 1576 C LEU A 98 -0.088 1.851 10.977 1.00 42.31 C ATOM 1577 O LEU A 98 -1.006 1.273 10.377 1.00 61.33 O ATOM 1578 CB LEU A 98 2.316 2.162 10.199 1.00 2.20 C ATOM 1579 CG LEU A 98 2.433 0.696 9.660 1.00 64.44 C ATOM 1580 CD1 LEU A 98 2.066 0.604 8.163 1.00 11.33 C ATOM 1581 CD2 LEU A 98 3.834 0.111 9.938 1.00 60.34 C ATOM 0 H LEU A 98 1.834 4.404 11.170 1.00 63.11 H new ATOM 0 HA LEU A 98 0.540 2.860 9.184 1.00 33.25 H new ATOM 0 HB2 LEU A 98 2.958 2.802 9.594 1.00 2.20 H new ATOM 0 HB3 LEU A 98 2.709 2.186 11.216 1.00 2.20 H new ATOM 0 HG LEU A 98 1.708 0.090 10.203 1.00 64.44 H new ATOM 0 HD11 LEU A 98 2.160 -0.429 7.828 1.00 11.33 H new ATOM 0 HD12 LEU A 98 1.039 0.940 8.019 1.00 11.33 H new ATOM 0 HD13 LEU A 98 2.739 1.236 7.584 1.00 11.33 H new ATOM 0 HD21 LEU A 98 3.886 -0.907 9.553 1.00 60.34 H new ATOM 0 HD22 LEU A 98 4.589 0.724 9.445 1.00 60.34 H new ATOM 0 HD23 LEU A 98 4.018 0.103 11.012 1.00 60.34 H new ATOM 1593 N GLU A 99 0.106 1.760 12.308 1.00 34.23 N ATOM 1594 CA GLU A 99 -0.737 0.929 13.193 1.00 74.04 C ATOM 1595 C GLU A 99 -2.186 1.471 13.233 1.00 1.12 C ATOM 1596 O GLU A 99 -3.149 0.705 13.166 1.00 75.31 O ATOM 1597 CB GLU A 99 -0.170 0.872 14.646 1.00 12.32 C ATOM 1598 CG GLU A 99 1.256 0.284 14.811 1.00 0.21 C ATOM 1599 CD GLU A 99 2.385 1.235 14.379 1.00 51.40 C ATOM 1600 OE1 GLU A 99 2.699 2.175 15.138 1.00 73.14 O ATOM 1601 OE2 GLU A 99 2.946 1.068 13.283 1.00 5.43 O ATOM 0 H GLU A 99 0.848 2.258 12.799 1.00 34.23 H new ATOM 0 HA GLU A 99 -0.734 -0.080 12.781 1.00 74.04 H new ATOM 0 HB2 GLU A 99 -0.171 1.883 15.052 1.00 12.32 H new ATOM 0 HB3 GLU A 99 -0.854 0.283 15.256 1.00 12.32 H new ATOM 0 HG2 GLU A 99 1.406 0.012 15.856 1.00 0.21 H new ATOM 0 HG3 GLU A 99 1.327 -0.635 14.229 1.00 0.21 H new ATOM 1608 N SER A 100 -2.305 2.812 13.326 1.00 23.13 N ATOM 1609 CA SER A 100 -3.598 3.515 13.457 1.00 62.41 C ATOM 1610 C SER A 100 -4.508 3.285 12.240 1.00 1.32 C ATOM 1611 O SER A 100 -5.682 2.913 12.381 1.00 60.15 O ATOM 1612 CB SER A 100 -3.338 5.019 13.666 1.00 4.03 C ATOM 1613 OG SER A 100 -2.543 5.229 14.822 1.00 12.51 O ATOM 0 H SER A 100 -1.502 3.441 13.312 1.00 23.13 H new ATOM 0 HA SER A 100 -4.122 3.108 14.322 1.00 62.41 H new ATOM 0 HB2 SER A 100 -2.835 5.432 12.792 1.00 4.03 H new ATOM 0 HB3 SER A 100 -4.286 5.547 13.768 1.00 4.03 H new ATOM 0 HG SER A 100 -2.385 6.189 14.940 1.00 12.51 H new ATOM 1619 N ALA A 101 -3.938 3.485 11.046 1.00 20.32 N ATOM 1620 CA ALA A 101 -4.652 3.317 9.771 1.00 60.20 C ATOM 1621 C ALA A 101 -5.066 1.851 9.562 1.00 23.15 C ATOM 1622 O ALA A 101 -6.070 1.571 8.901 1.00 0.45 O ATOM 1623 CB ALA A 101 -3.783 3.820 8.612 1.00 62.03 C ATOM 0 H ALA A 101 -2.965 3.769 10.935 1.00 20.32 H new ATOM 0 HA ALA A 101 -5.564 3.913 9.800 1.00 60.20 H new ATOM 0 HB1 ALA A 101 -4.320 3.692 7.672 1.00 62.03 H new ATOM 0 HB2 ALA A 101 -3.556 4.876 8.759 1.00 62.03 H new ATOM 0 HB3 ALA A 101 -2.854 3.251 8.580 1.00 62.03 H new ATOM 1629 N ALA A 102 -4.287 0.930 10.162 1.00 14.43 N ATOM 1630 CA ALA A 102 -4.550 -0.511 10.112 1.00 22.14 C ATOM 1631 C ALA A 102 -5.784 -0.879 10.950 1.00 52.20 C ATOM 1632 O ALA A 102 -6.590 -1.710 10.534 1.00 5.35 O ATOM 1633 CB ALA A 102 -3.322 -1.267 10.600 1.00 32.23 C ATOM 0 H ALA A 102 -3.453 1.173 10.697 1.00 14.43 H new ATOM 0 HA ALA A 102 -4.760 -0.794 9.080 1.00 22.14 H new ATOM 0 HB1 ALA A 102 -3.516 -2.339 10.563 1.00 32.23 H new ATOM 0 HB2 ALA A 102 -2.471 -1.030 9.961 1.00 32.23 H new ATOM 0 HB3 ALA A 102 -3.098 -0.974 11.626 1.00 32.23 H new ATOM 1639 N GLU A 103 -5.913 -0.240 12.134 1.00 4.33 N ATOM 1640 CA GLU A 103 -7.081 -0.422 13.032 1.00 13.51 C ATOM 1641 C GLU A 103 -8.368 0.077 12.350 1.00 11.11 C ATOM 1642 O GLU A 103 -9.398 -0.599 12.371 1.00 64.32 O ATOM 1643 CB GLU A 103 -6.873 0.343 14.369 1.00 43.35 C ATOM 1644 CG GLU A 103 -5.588 -0.034 15.122 1.00 41.21 C ATOM 1645 CD GLU A 103 -5.399 0.762 16.420 1.00 4.21 C ATOM 1646 OE1 GLU A 103 -5.136 1.983 16.343 1.00 43.41 O ATOM 1647 OE2 GLU A 103 -5.521 0.181 17.523 1.00 4.10 O ATOM 0 H GLU A 103 -5.217 0.413 12.494 1.00 4.33 H new ATOM 0 HA GLU A 103 -7.177 -1.487 13.245 1.00 13.51 H new ATOM 0 HB2 GLU A 103 -6.858 1.413 14.163 1.00 43.35 H new ATOM 0 HB3 GLU A 103 -7.728 0.155 15.018 1.00 43.35 H new ATOM 0 HG2 GLU A 103 -5.609 -1.099 15.355 1.00 41.21 H new ATOM 0 HG3 GLU A 103 -4.730 0.133 14.471 1.00 41.21 H new ATOM 1654 N GLN A 104 -8.263 1.261 11.724 1.00 0.22 N ATOM 1655 CA GLN A 104 -9.381 1.920 11.014 1.00 13.43 C ATOM 1656 C GLN A 104 -9.808 1.131 9.755 1.00 3.44 C ATOM 1657 O GLN A 104 -10.966 1.208 9.337 1.00 40.34 O ATOM 1658 CB GLN A 104 -8.971 3.363 10.631 1.00 15.04 C ATOM 1659 CG GLN A 104 -8.684 4.295 11.823 1.00 31.10 C ATOM 1660 CD GLN A 104 -8.084 5.631 11.383 1.00 53.22 C ATOM 1661 OE1 GLN A 104 -8.804 6.583 11.083 1.00 54.41 O ATOM 1662 NE2 GLN A 104 -6.762 5.706 11.332 1.00 55.12 N ATOM 0 H GLN A 104 -7.394 1.795 11.694 1.00 0.22 H new ATOM 0 HA GLN A 104 -10.240 1.947 11.685 1.00 13.43 H new ATOM 0 HB2 GLN A 104 -8.082 3.317 10.002 1.00 15.04 H new ATOM 0 HB3 GLN A 104 -9.766 3.803 10.028 1.00 15.04 H new ATOM 0 HG2 GLN A 104 -9.609 4.477 12.370 1.00 31.10 H new ATOM 0 HG3 GLN A 104 -7.999 3.800 12.511 1.00 31.10 H new ATOM 0 HE21 GLN A 104 -6.195 4.898 11.588 1.00 55.12 H new ATOM 0 HE22 GLN A 104 -6.311 6.572 11.037 1.00 55.12 H new ATOM 1671 N ALA A 105 -8.859 0.392 9.154 1.00 35.43 N ATOM 1672 CA ALA A 105 -9.129 -0.489 7.993 1.00 62.32 C ATOM 1673 C ALA A 105 -9.420 -1.940 8.439 1.00 12.50 C ATOM 1674 O ALA A 105 -9.838 -2.772 7.625 1.00 61.44 O ATOM 1675 CB ALA A 105 -7.945 -0.434 7.013 1.00 70.13 C ATOM 0 H ALA A 105 -7.884 0.385 9.455 1.00 35.43 H new ATOM 0 HA ALA A 105 -10.023 -0.128 7.484 1.00 62.32 H new ATOM 0 HB1 ALA A 105 -8.147 -1.083 6.161 1.00 70.13 H new ATOM 0 HB2 ALA A 105 -7.808 0.590 6.665 1.00 70.13 H new ATOM 0 HB3 ALA A 105 -7.039 -0.770 7.518 1.00 70.13 H new ATOM 1681 N GLY A 106 -9.177 -2.234 9.736 1.00 54.53 N ATOM 1682 CA GLY A 106 -9.480 -3.548 10.322 1.00 55.33 C ATOM 1683 C GLY A 106 -8.502 -4.658 9.924 1.00 52.51 C ATOM 1684 O GLY A 106 -8.813 -5.848 10.080 1.00 60.22 O ATOM 0 H GLY A 106 -8.770 -1.571 10.395 1.00 54.53 H new ATOM 0 HA2 GLY A 106 -9.484 -3.456 11.408 1.00 55.33 H new ATOM 0 HA3 GLY A 106 -10.486 -3.842 10.023 1.00 55.33 H new ATOM 1688 N ILE A 107 -7.327 -4.258 9.417 1.00 61.43 N ATOM 1689 CA ILE A 107 -6.240 -5.177 9.018 1.00 55.14 C ATOM 1690 C ILE A 107 -5.444 -5.582 10.276 1.00 10.43 C ATOM 1691 O ILE A 107 -5.407 -4.812 11.247 1.00 41.14 O ATOM 1692 CB ILE A 107 -5.262 -4.479 7.999 1.00 64.40 C ATOM 1693 CG1 ILE A 107 -6.036 -3.667 6.926 1.00 64.43 C ATOM 1694 CG2 ILE A 107 -4.335 -5.504 7.305 1.00 64.20 C ATOM 1695 CD1 ILE A 107 -5.140 -2.818 6.055 1.00 25.11 C ATOM 0 H ILE A 107 -7.097 -3.275 9.269 1.00 61.43 H new ATOM 0 HA ILE A 107 -6.678 -6.053 8.539 1.00 55.14 H new ATOM 0 HB ILE A 107 -4.648 -3.791 8.581 1.00 64.40 H new ATOM 0 HG12 ILE A 107 -6.597 -4.356 6.295 1.00 64.43 H new ATOM 0 HG13 ILE A 107 -6.763 -3.024 7.422 1.00 64.43 H new ATOM 0 HG21 ILE A 107 -3.675 -4.985 6.610 1.00 64.20 H new ATOM 0 HG22 ILE A 107 -3.737 -6.021 8.056 1.00 64.20 H new ATOM 0 HG23 ILE A 107 -4.939 -6.230 6.760 1.00 64.20 H new ATOM 0 HD11 ILE A 107 -5.746 -2.278 5.328 1.00 25.11 H new ATOM 0 HD12 ILE A 107 -4.598 -2.105 6.676 1.00 25.11 H new ATOM 0 HD13 ILE A 107 -4.429 -3.458 5.532 1.00 25.11 H new ATOM 1707 N VAL A 108 -4.796 -6.762 10.255 1.00 23.13 N ATOM 1708 CA VAL A 108 -3.982 -7.237 11.383 1.00 71.10 C ATOM 1709 C VAL A 108 -2.673 -6.402 11.478 1.00 75.23 C ATOM 1710 O VAL A 108 -1.718 -6.595 10.695 1.00 21.42 O ATOM 1711 CB VAL A 108 -3.680 -8.778 11.271 1.00 3.44 C ATOM 1712 CG1 VAL A 108 -2.910 -9.299 12.507 1.00 75.11 C ATOM 1713 CG2 VAL A 108 -4.990 -9.577 11.054 1.00 24.11 C ATOM 0 H VAL A 108 -4.823 -7.405 9.463 1.00 23.13 H new ATOM 0 HA VAL A 108 -4.549 -7.096 12.303 1.00 71.10 H new ATOM 0 HB VAL A 108 -3.039 -8.928 10.403 1.00 3.44 H new ATOM 0 HG11 VAL A 108 -2.720 -10.366 12.394 1.00 75.11 H new ATOM 0 HG12 VAL A 108 -1.962 -8.769 12.595 1.00 75.11 H new ATOM 0 HG13 VAL A 108 -3.505 -9.130 13.404 1.00 75.11 H new ATOM 0 HG21 VAL A 108 -4.760 -10.640 10.979 1.00 24.11 H new ATOM 0 HG22 VAL A 108 -5.662 -9.410 11.896 1.00 24.11 H new ATOM 0 HG23 VAL A 108 -5.471 -9.244 10.134 1.00 24.11 H new ATOM 1723 N VAL A 109 -2.697 -5.440 12.427 1.00 10.01 N ATOM 1724 CA VAL A 109 -1.585 -4.517 12.757 1.00 64.02 C ATOM 1725 C VAL A 109 -0.252 -5.276 12.914 1.00 55.12 C ATOM 1726 O VAL A 109 0.746 -4.948 12.269 1.00 74.14 O ATOM 1727 CB VAL A 109 -1.921 -3.729 14.095 1.00 73.42 C ATOM 1728 CG1 VAL A 109 -0.720 -2.908 14.626 1.00 13.22 C ATOM 1729 CG2 VAL A 109 -3.157 -2.817 13.909 1.00 13.10 C ATOM 0 H VAL A 109 -3.521 -5.278 13.006 1.00 10.01 H new ATOM 0 HA VAL A 109 -1.474 -3.811 11.934 1.00 64.02 H new ATOM 0 HB VAL A 109 -2.149 -4.485 14.846 1.00 73.42 H new ATOM 0 HG11 VAL A 109 -1.009 -2.391 15.541 1.00 13.22 H new ATOM 0 HG12 VAL A 109 0.114 -3.577 14.835 1.00 13.22 H new ATOM 0 HG13 VAL A 109 -0.419 -2.177 13.876 1.00 13.22 H new ATOM 0 HG21 VAL A 109 -3.364 -2.290 14.840 1.00 13.10 H new ATOM 0 HG22 VAL A 109 -2.959 -2.093 13.119 1.00 13.10 H new ATOM 0 HG23 VAL A 109 -4.020 -3.425 13.637 1.00 13.10 H new ATOM 1739 N ASP A 110 -0.312 -6.332 13.737 1.00 31.04 N ATOM 1740 CA ASP A 110 0.831 -7.186 14.115 1.00 74.42 C ATOM 1741 C ASP A 110 1.606 -7.714 12.883 1.00 42.02 C ATOM 1742 O ASP A 110 2.845 -7.759 12.887 1.00 24.41 O ATOM 1743 CB ASP A 110 0.298 -8.360 14.989 1.00 23.33 C ATOM 1744 CG ASP A 110 1.386 -9.334 15.464 1.00 1.14 C ATOM 1745 OD1 ASP A 110 2.183 -8.961 16.357 1.00 42.22 O ATOM 1746 OD2 ASP A 110 1.445 -10.472 14.961 1.00 70.43 O ATOM 0 H ASP A 110 -1.185 -6.628 14.174 1.00 31.04 H new ATOM 0 HA ASP A 110 1.544 -6.589 14.683 1.00 74.42 H new ATOM 0 HB2 ASP A 110 -0.211 -7.948 15.860 1.00 23.33 H new ATOM 0 HB3 ASP A 110 -0.447 -8.915 14.418 1.00 23.33 H new ATOM 1751 N GLU A 111 0.858 -8.068 11.822 1.00 23.31 N ATOM 1752 CA GLU A 111 1.435 -8.599 10.577 1.00 31.33 C ATOM 1753 C GLU A 111 2.090 -7.482 9.739 1.00 0.15 C ATOM 1754 O GLU A 111 3.282 -7.568 9.417 1.00 60.55 O ATOM 1755 CB GLU A 111 0.350 -9.336 9.750 1.00 1.43 C ATOM 1756 CG GLU A 111 -0.238 -10.580 10.440 1.00 54.53 C ATOM 1757 CD GLU A 111 0.807 -11.662 10.774 1.00 63.33 C ATOM 1758 OE1 GLU A 111 1.236 -12.393 9.854 1.00 75.32 O ATOM 1759 OE2 GLU A 111 1.200 -11.795 11.952 1.00 72.53 O ATOM 0 H GLU A 111 -0.159 -7.994 11.805 1.00 23.31 H new ATOM 0 HA GLU A 111 2.215 -9.312 10.846 1.00 31.33 H new ATOM 0 HB2 GLU A 111 -0.460 -8.639 9.532 1.00 1.43 H new ATOM 0 HB3 GLU A 111 0.779 -9.635 8.794 1.00 1.43 H new ATOM 0 HG2 GLU A 111 -0.735 -10.272 11.360 1.00 54.53 H new ATOM 0 HG3 GLU A 111 -1.002 -11.014 9.795 1.00 54.53 H new ATOM 1766 N LEU A 112 1.314 -6.425 9.404 1.00 53.32 N ATOM 1767 CA LEU A 112 1.787 -5.370 8.464 1.00 51.02 C ATOM 1768 C LEU A 112 2.925 -4.501 9.036 1.00 62.42 C ATOM 1769 O LEU A 112 3.700 -3.919 8.281 1.00 14.20 O ATOM 1770 CB LEU A 112 0.603 -4.505 7.958 1.00 41.21 C ATOM 1771 CG LEU A 112 -0.325 -3.828 9.035 1.00 53.54 C ATOM 1772 CD1 LEU A 112 0.283 -2.549 9.662 1.00 74.13 C ATOM 1773 CD2 LEU A 112 -1.704 -3.526 8.439 1.00 53.40 C ATOM 0 H LEU A 112 0.371 -6.277 9.762 1.00 53.32 H new ATOM 0 HA LEU A 112 2.220 -5.892 7.611 1.00 51.02 H new ATOM 0 HB2 LEU A 112 1.011 -3.717 7.324 1.00 41.21 H new ATOM 0 HB3 LEU A 112 -0.023 -5.132 7.323 1.00 41.21 H new ATOM 0 HG LEU A 112 -0.425 -4.549 9.847 1.00 53.54 H new ATOM 0 HD11 LEU A 112 -0.411 -2.137 10.394 1.00 74.13 H new ATOM 0 HD12 LEU A 112 1.224 -2.797 10.153 1.00 74.13 H new ATOM 0 HD13 LEU A 112 0.465 -1.812 8.880 1.00 74.13 H new ATOM 0 HD21 LEU A 112 -2.333 -3.058 9.196 1.00 53.40 H new ATOM 0 HD22 LEU A 112 -1.594 -2.850 7.591 1.00 53.40 H new ATOM 0 HD23 LEU A 112 -2.167 -4.454 8.105 1.00 53.40 H new ATOM 1785 N VAL A 113 3.010 -4.429 10.368 1.00 32.41 N ATOM 1786 CA VAL A 113 4.077 -3.684 11.077 1.00 54.41 C ATOM 1787 C VAL A 113 5.426 -4.376 10.868 1.00 11.23 C ATOM 1788 O VAL A 113 6.444 -3.710 10.667 1.00 73.34 O ATOM 1789 CB VAL A 113 3.743 -3.504 12.613 1.00 22.25 C ATOM 1790 CG1 VAL A 113 4.962 -3.035 13.455 1.00 70.32 C ATOM 1791 CG2 VAL A 113 2.567 -2.513 12.772 1.00 52.04 C ATOM 0 H VAL A 113 2.344 -4.883 10.993 1.00 32.41 H new ATOM 0 HA VAL A 113 4.136 -2.682 10.653 1.00 54.41 H new ATOM 0 HB VAL A 113 3.465 -4.485 12.999 1.00 22.25 H new ATOM 0 HG11 VAL A 113 4.665 -2.931 14.499 1.00 70.32 H new ATOM 0 HG12 VAL A 113 5.763 -3.770 13.377 1.00 70.32 H new ATOM 0 HG13 VAL A 113 5.315 -2.074 13.081 1.00 70.32 H new ATOM 0 HG21 VAL A 113 2.336 -2.389 13.830 1.00 52.04 H new ATOM 0 HG22 VAL A 113 2.843 -1.549 12.345 1.00 52.04 H new ATOM 0 HG23 VAL A 113 1.691 -2.902 12.253 1.00 52.04 H new ATOM 1801 N GLN A 114 5.401 -5.724 10.854 1.00 13.13 N ATOM 1802 CA GLN A 114 6.589 -6.532 10.537 1.00 24.32 C ATOM 1803 C GLN A 114 6.944 -6.357 9.063 1.00 32.33 C ATOM 1804 O GLN A 114 8.090 -6.120 8.705 1.00 73.32 O ATOM 1805 CB GLN A 114 6.339 -8.028 10.834 1.00 31.24 C ATOM 1806 CG GLN A 114 6.164 -8.375 12.323 1.00 50.44 C ATOM 1807 CD GLN A 114 7.375 -8.009 13.187 1.00 73.32 C ATOM 1808 OE1 GLN A 114 8.322 -8.789 13.319 1.00 5.52 O ATOM 1809 NE2 GLN A 114 7.342 -6.835 13.800 1.00 14.10 N ATOM 0 H GLN A 114 4.567 -6.274 11.060 1.00 13.13 H new ATOM 0 HA GLN A 114 7.414 -6.191 11.162 1.00 24.32 H new ATOM 0 HB2 GLN A 114 5.446 -8.346 10.295 1.00 31.24 H new ATOM 0 HB3 GLN A 114 7.174 -8.606 10.437 1.00 31.24 H new ATOM 0 HG2 GLN A 114 5.285 -7.857 12.707 1.00 50.44 H new ATOM 0 HG3 GLN A 114 5.971 -9.444 12.418 1.00 50.44 H new ATOM 0 HE21 GLN A 114 6.544 -6.214 13.669 1.00 14.10 H new ATOM 0 HE22 GLN A 114 8.115 -6.552 14.403 1.00 14.10 H new ATOM 1818 N THR A 115 5.909 -6.440 8.237 1.00 74.11 N ATOM 1819 CA THR A 115 6.000 -6.337 6.786 1.00 55.13 C ATOM 1820 C THR A 115 6.638 -5.000 6.318 1.00 41.25 C ATOM 1821 O THR A 115 7.435 -4.991 5.379 1.00 31.52 O ATOM 1822 CB THR A 115 4.564 -6.522 6.219 1.00 42.44 C ATOM 1823 OG1 THR A 115 4.083 -7.829 6.588 1.00 24.53 O ATOM 1824 CG2 THR A 115 4.473 -6.344 4.706 1.00 4.13 C ATOM 0 H THR A 115 4.955 -6.585 8.568 1.00 74.11 H new ATOM 0 HA THR A 115 6.665 -7.112 6.405 1.00 55.13 H new ATOM 0 HB THR A 115 3.944 -5.737 6.652 1.00 42.44 H new ATOM 0 HG1 THR A 115 3.783 -7.816 7.521 1.00 24.53 H new ATOM 0 HG21 THR A 115 3.442 -6.488 4.384 1.00 4.13 H new ATOM 0 HG22 THR A 115 4.800 -5.340 4.437 1.00 4.13 H new ATOM 0 HG23 THR A 115 5.112 -7.077 4.214 1.00 4.13 H new ATOM 1832 N VAL A 116 6.298 -3.892 7.005 1.00 1.40 N ATOM 1833 CA VAL A 116 6.797 -2.537 6.673 1.00 3.41 C ATOM 1834 C VAL A 116 8.184 -2.268 7.298 1.00 35.35 C ATOM 1835 O VAL A 116 9.039 -1.654 6.650 1.00 50.42 O ATOM 1836 CB VAL A 116 5.747 -1.434 7.102 1.00 63.03 C ATOM 1837 CG1 VAL A 116 6.302 0.010 6.985 1.00 51.25 C ATOM 1838 CG2 VAL A 116 4.442 -1.580 6.277 1.00 75.32 C ATOM 0 H VAL A 116 5.669 -3.908 7.808 1.00 1.40 H new ATOM 0 HA VAL A 116 6.920 -2.485 5.591 1.00 3.41 H new ATOM 0 HB VAL A 116 5.531 -1.602 8.157 1.00 63.03 H new ATOM 0 HG11 VAL A 116 5.535 0.721 7.293 1.00 51.25 H new ATOM 0 HG12 VAL A 116 7.176 0.117 7.628 1.00 51.25 H new ATOM 0 HG13 VAL A 116 6.586 0.208 5.951 1.00 51.25 H new ATOM 0 HG21 VAL A 116 3.730 -0.814 6.584 1.00 75.32 H new ATOM 0 HG22 VAL A 116 4.667 -1.463 5.217 1.00 75.32 H new ATOM 0 HG23 VAL A 116 4.011 -2.566 6.449 1.00 75.32 H new ATOM 1848 N LYS A 117 8.423 -2.744 8.541 1.00 54.23 N ATOM 1849 CA LYS A 117 9.716 -2.503 9.228 1.00 45.30 C ATOM 1850 C LYS A 117 10.838 -3.341 8.587 1.00 15.24 C ATOM 1851 O LYS A 117 11.977 -2.876 8.452 1.00 40.23 O ATOM 1852 CB LYS A 117 9.633 -2.781 10.761 1.00 50.13 C ATOM 1853 CG LYS A 117 9.529 -4.271 11.176 1.00 13.10 C ATOM 1854 CD LYS A 117 9.520 -4.483 12.710 1.00 0.41 C ATOM 1855 CE LYS A 117 10.807 -3.992 13.395 1.00 31.23 C ATOM 1856 NZ LYS A 117 10.799 -4.243 14.866 1.00 50.40 N ATOM 0 H LYS A 117 7.752 -3.288 9.083 1.00 54.23 H new ATOM 0 HA LYS A 117 9.950 -1.446 9.104 1.00 45.30 H new ATOM 0 HB2 LYS A 117 10.515 -2.353 11.236 1.00 50.13 H new ATOM 0 HB3 LYS A 117 8.768 -2.252 11.160 1.00 50.13 H new ATOM 0 HG2 LYS A 117 8.619 -4.696 10.753 1.00 13.10 H new ATOM 0 HG3 LYS A 117 10.367 -4.820 10.746 1.00 13.10 H new ATOM 0 HD2 LYS A 117 8.665 -3.959 13.138 1.00 0.41 H new ATOM 0 HD3 LYS A 117 9.384 -5.543 12.923 1.00 0.41 H new ATOM 0 HE2 LYS A 117 11.667 -4.492 12.948 1.00 31.23 H new ATOM 0 HE3 LYS A 117 10.928 -2.924 13.212 1.00 31.23 H new ATOM 0 HZ1 LYS A 117 11.686 -3.895 15.282 1.00 50.40 H new ATOM 0 HZ2 LYS A 117 9.995 -3.745 15.299 1.00 50.40 H new ATOM 0 HZ3 LYS A 117 10.710 -5.264 15.043 1.00 50.40 H new ATOM 1870 N ASN A 118 10.491 -4.579 8.180 1.00 44.24 N ATOM 1871 CA ASN A 118 11.429 -5.511 7.522 1.00 5.32 C ATOM 1872 C ASN A 118 11.622 -5.103 6.062 1.00 13.11 C ATOM 1873 O ASN A 118 12.699 -5.321 5.506 1.00 4.24 O ATOM 1874 CB ASN A 118 10.945 -6.986 7.629 1.00 40.02 C ATOM 1875 CG ASN A 118 10.836 -7.476 9.083 1.00 34.04 C ATOM 1876 OD1 ASN A 118 11.579 -7.040 9.966 1.00 13.24 O ATOM 1877 ND2 ASN A 118 9.904 -8.383 9.347 1.00 44.05 N ATOM 0 H ASN A 118 9.553 -4.961 8.298 1.00 44.24 H new ATOM 0 HA ASN A 118 12.387 -5.453 8.038 1.00 5.32 H new ATOM 0 HB2 ASN A 118 9.973 -7.080 7.145 1.00 40.02 H new ATOM 0 HB3 ASN A 118 11.636 -7.630 7.085 1.00 40.02 H new ATOM 0 HD21 ASN A 118 9.790 -8.735 10.297 1.00 44.05 H new ATOM 0 HD22 ASN A 118 9.302 -8.728 8.599 1.00 44.05 H new ATOM 1884 N TYR A 119 10.570 -4.483 5.460 1.00 44.01 N ATOM 1885 CA TYR A 119 10.671 -3.841 4.135 1.00 53.25 C ATOM 1886 C TYR A 119 11.770 -2.778 4.182 1.00 32.21 C ATOM 1887 O TYR A 119 12.787 -2.914 3.508 1.00 31.23 O ATOM 1888 CB TYR A 119 9.320 -3.207 3.698 1.00 44.41 C ATOM 1889 CG TYR A 119 9.344 -2.432 2.363 1.00 24.23 C ATOM 1890 CD1 TYR A 119 9.777 -3.037 1.180 1.00 2.41 C ATOM 1891 CD2 TYR A 119 8.915 -1.103 2.285 1.00 32.15 C ATOM 1892 CE1 TYR A 119 9.779 -2.355 -0.022 1.00 22.42 C ATOM 1893 CE2 TYR A 119 8.920 -0.417 1.083 1.00 13.50 C ATOM 1894 CZ TYR A 119 9.354 -1.050 -0.066 1.00 65.11 C ATOM 1895 OH TYR A 119 9.338 -0.382 -1.274 1.00 23.12 O ATOM 0 H TYR A 119 9.643 -4.419 5.880 1.00 44.01 H new ATOM 0 HA TYR A 119 10.921 -4.603 3.396 1.00 53.25 H new ATOM 0 HB2 TYR A 119 8.575 -3.999 3.623 1.00 44.41 H new ATOM 0 HB3 TYR A 119 8.987 -2.529 4.484 1.00 44.41 H new ATOM 0 HD1 TYR A 119 10.118 -4.061 1.206 1.00 2.41 H new ATOM 0 HD2 TYR A 119 8.574 -0.603 3.179 1.00 32.15 H new ATOM 0 HE1 TYR A 119 10.114 -2.847 -0.923 1.00 22.42 H new ATOM 0 HE2 TYR A 119 8.586 0.609 1.043 1.00 13.50 H new ATOM 0 HH TYR A 119 9.734 0.507 -1.161 1.00 23.12 H new ATOM 1905 N GLN A 120 11.585 -1.777 5.071 1.00 42.44 N ATOM 1906 CA GLN A 120 12.560 -0.696 5.281 1.00 40.32 C ATOM 1907 C GLN A 120 13.918 -1.253 5.772 1.00 40.10 C ATOM 1908 O GLN A 120 14.961 -0.644 5.527 1.00 72.23 O ATOM 1909 CB GLN A 120 12.013 0.359 6.282 1.00 14.02 C ATOM 1910 CG GLN A 120 10.729 1.088 5.811 1.00 64.35 C ATOM 1911 CD GLN A 120 10.338 2.283 6.696 1.00 5.54 C ATOM 1912 OE1 GLN A 120 10.605 2.303 7.893 1.00 24.34 O ATOM 1913 NE2 GLN A 120 9.701 3.287 6.113 1.00 63.24 N ATOM 0 H GLN A 120 10.756 -1.700 5.660 1.00 42.44 H new ATOM 0 HA GLN A 120 12.721 -0.208 4.320 1.00 40.32 H new ATOM 0 HB2 GLN A 120 11.808 -0.133 7.233 1.00 14.02 H new ATOM 0 HB3 GLN A 120 12.789 1.101 6.468 1.00 14.02 H new ATOM 0 HG2 GLN A 120 10.874 1.436 4.788 1.00 64.35 H new ATOM 0 HG3 GLN A 120 9.904 0.376 5.791 1.00 64.35 H new ATOM 0 HE21 GLN A 120 9.490 3.247 5.116 1.00 63.24 H new ATOM 0 HE22 GLN A 120 9.421 4.100 6.661 1.00 63.24 H new ATOM 1922 N GLY A 121 13.879 -2.439 6.416 1.00 61.40 N ATOM 1923 CA GLY A 121 15.079 -3.112 6.909 1.00 72.13 C ATOM 1924 C GLY A 121 15.963 -3.624 5.783 1.00 11.33 C ATOM 1925 O GLY A 121 17.180 -3.439 5.813 1.00 64.43 O ATOM 0 H GLY A 121 13.015 -2.947 6.603 1.00 61.40 H new ATOM 0 HA2 GLY A 121 15.650 -2.421 7.530 1.00 72.13 H new ATOM 0 HA3 GLY A 121 14.788 -3.947 7.546 1.00 72.13 H new ATOM 1929 N TYR A 122 15.356 -4.258 4.759 1.00 62.32 N ATOM 1930 CA TYR A 122 16.120 -4.788 3.616 1.00 74.12 C ATOM 1931 C TYR A 122 16.374 -3.715 2.539 1.00 50.23 C ATOM 1932 O TYR A 122 17.281 -3.873 1.707 1.00 22.22 O ATOM 1933 CB TYR A 122 15.510 -6.107 3.051 1.00 1.35 C ATOM 1934 CG TYR A 122 14.065 -6.129 2.504 1.00 43.12 C ATOM 1935 CD1 TYR A 122 13.667 -5.339 1.421 1.00 34.30 C ATOM 1936 CD2 TYR A 122 13.119 -7.025 3.024 1.00 13.14 C ATOM 1937 CE1 TYR A 122 12.387 -5.429 0.901 1.00 74.14 C ATOM 1938 CE2 TYR A 122 11.846 -7.124 2.494 1.00 2.35 C ATOM 1939 CZ TYR A 122 11.484 -6.326 1.439 1.00 41.52 C ATOM 1940 OH TYR A 122 10.217 -6.437 0.901 1.00 44.24 O ATOM 0 H TYR A 122 14.350 -4.413 4.702 1.00 62.32 H new ATOM 0 HA TYR A 122 17.104 -5.065 3.993 1.00 74.12 H new ATOM 0 HB2 TYR A 122 16.164 -6.446 2.247 1.00 1.35 H new ATOM 0 HB3 TYR A 122 15.566 -6.853 3.844 1.00 1.35 H new ATOM 0 HD1 TYR A 122 14.370 -4.647 0.983 1.00 34.30 H new ATOM 0 HD2 TYR A 122 13.392 -7.653 3.859 1.00 13.14 H new ATOM 0 HE1 TYR A 122 12.094 -4.798 0.075 1.00 74.14 H new ATOM 0 HE2 TYR A 122 11.139 -7.827 2.909 1.00 2.35 H new ATOM 0 HH TYR A 122 9.709 -7.114 1.396 1.00 44.24 H new ATOM 1950 N VAL A 123 15.576 -2.624 2.570 1.00 5.13 N ATOM 1951 CA VAL A 123 15.808 -1.440 1.721 1.00 25.42 C ATOM 1952 C VAL A 123 17.115 -0.727 2.132 1.00 11.25 C ATOM 1953 O VAL A 123 17.986 -0.497 1.289 1.00 31.53 O ATOM 1954 CB VAL A 123 14.607 -0.408 1.764 1.00 3.32 C ATOM 1955 CG1 VAL A 123 14.967 0.919 1.043 1.00 11.23 C ATOM 1956 CG2 VAL A 123 13.318 -1.012 1.150 1.00 43.14 C ATOM 0 H VAL A 123 14.762 -2.542 3.179 1.00 5.13 H new ATOM 0 HA VAL A 123 15.890 -1.806 0.697 1.00 25.42 H new ATOM 0 HB VAL A 123 14.419 -0.187 2.815 1.00 3.32 H new ATOM 0 HG11 VAL A 123 14.119 1.602 1.093 1.00 11.23 H new ATOM 0 HG12 VAL A 123 15.829 1.375 1.529 1.00 11.23 H new ATOM 0 HG13 VAL A 123 15.206 0.713 -0.000 1.00 11.23 H new ATOM 0 HG21 VAL A 123 12.514 -0.277 1.196 1.00 43.14 H new ATOM 0 HG22 VAL A 123 13.503 -1.283 0.111 1.00 43.14 H new ATOM 0 HG23 VAL A 123 13.029 -1.901 1.711 1.00 43.14 H new ATOM 1966 N GLN A 124 17.253 -0.411 3.436 1.00 32.10 N ATOM 1967 CA GLN A 124 18.399 0.383 3.943 1.00 0.44 C ATOM 1968 C GLN A 124 19.729 -0.392 3.808 1.00 53.24 C ATOM 1969 O GLN A 124 20.763 0.196 3.476 1.00 52.31 O ATOM 1970 CB GLN A 124 18.179 0.809 5.419 1.00 23.32 C ATOM 1971 CG GLN A 124 18.058 -0.370 6.399 1.00 24.33 C ATOM 1972 CD GLN A 124 18.057 0.011 7.870 1.00 43.34 C ATOM 1973 OE1 GLN A 124 17.612 1.094 8.254 1.00 44.30 O ATOM 1974 NE2 GLN A 124 18.534 -0.891 8.714 1.00 24.35 N ATOM 0 H GLN A 124 16.589 -0.691 4.158 1.00 32.10 H new ATOM 0 HA GLN A 124 18.462 1.281 3.328 1.00 0.44 H new ATOM 0 HB2 GLN A 124 19.009 1.444 5.731 1.00 23.32 H new ATOM 0 HB3 GLN A 124 17.274 1.414 5.481 1.00 23.32 H new ATOM 0 HG2 GLN A 124 17.138 -0.912 6.179 1.00 24.33 H new ATOM 0 HG3 GLN A 124 18.884 -1.058 6.219 1.00 24.33 H new ATOM 0 HE21 GLN A 124 18.895 -1.778 8.362 1.00 24.35 H new ATOM 0 HE22 GLN A 124 18.540 -0.699 9.716 1.00 24.35 H new ATOM 1983 N ASP A 125 19.678 -1.712 4.055 1.00 53.13 N ATOM 1984 CA ASP A 125 20.847 -2.609 3.942 1.00 72.12 C ATOM 1985 C ASP A 125 21.154 -2.924 2.469 1.00 52.33 C ATOM 1986 O ASP A 125 22.238 -3.431 2.156 1.00 11.43 O ATOM 1987 CB ASP A 125 20.604 -3.911 4.756 1.00 71.43 C ATOM 1988 CG ASP A 125 20.767 -3.699 6.275 1.00 42.42 C ATOM 1989 OD1 ASP A 125 19.832 -3.182 6.922 1.00 35.34 O ATOM 1990 OD2 ASP A 125 21.851 -4.008 6.826 1.00 43.12 O ATOM 0 H ASP A 125 18.824 -2.191 4.340 1.00 53.13 H new ATOM 0 HA ASP A 125 21.717 -2.102 4.359 1.00 72.12 H new ATOM 0 HB2 ASP A 125 19.600 -4.282 4.550 1.00 71.43 H new ATOM 0 HB3 ASP A 125 21.302 -4.679 4.423 1.00 71.43 H new ATOM 1995 N GLY A 126 20.183 -2.628 1.582 1.00 75.01 N ATOM 1996 CA GLY A 126 20.375 -2.736 0.137 1.00 2.24 C ATOM 1997 C GLY A 126 20.491 -4.172 -0.346 1.00 42.04 C ATOM 1998 O GLY A 126 21.272 -4.475 -1.254 1.00 25.11 O ATOM 0 H GLY A 126 19.252 -2.310 1.853 1.00 75.01 H new ATOM 0 HA2 GLY A 126 19.539 -2.255 -0.371 1.00 2.24 H new ATOM 0 HA3 GLY A 126 21.276 -2.191 -0.145 1.00 2.24 H new ATOM 2002 N HIS A 127 19.717 -5.054 0.279 1.00 63.43 N ATOM 2003 CA HIS A 127 19.614 -6.459 -0.117 1.00 43.22 C ATOM 2004 C HIS A 127 18.220 -6.952 0.260 1.00 1.23 C ATOM 2005 O HIS A 127 17.938 -7.157 1.439 1.00 75.11 O ATOM 2006 CB HIS A 127 20.717 -7.323 0.561 1.00 33.50 C ATOM 2007 CG HIS A 127 20.587 -8.810 0.295 1.00 64.23 C ATOM 2008 ND1 HIS A 127 21.147 -9.429 -0.798 1.00 64.21 N ATOM 2009 CD2 HIS A 127 19.947 -9.792 0.985 1.00 62.12 C ATOM 2010 CE1 HIS A 127 20.863 -10.714 -0.769 1.00 73.14 C ATOM 2011 NE2 HIS A 127 20.140 -10.961 0.302 1.00 30.43 N ATOM 0 H HIS A 127 19.137 -4.813 1.083 1.00 63.43 H new ATOM 0 HA HIS A 127 19.766 -6.551 -1.192 1.00 43.22 H new ATOM 0 HB2 HIS A 127 21.693 -6.986 0.212 1.00 33.50 H new ATOM 0 HB3 HIS A 127 20.687 -7.153 1.637 1.00 33.50 H new ATOM 0 HD2 HIS A 127 19.390 -9.671 1.902 1.00 62.12 H new ATOM 0 HE1 HIS A 127 21.172 -11.444 -1.502 1.00 73.14 H new ATOM 0 HE2 HIS A 127 19.782 -11.875 0.578 1.00 30.43 H new ATOM 2020 N ASP A 128 17.358 -7.119 -0.752 1.00 53.11 N ATOM 2021 CA ASP A 128 15.980 -7.608 -0.578 1.00 10.52 C ATOM 2022 C ASP A 128 15.951 -9.059 -0.036 1.00 53.04 C ATOM 2023 O ASP A 128 16.824 -9.871 -0.356 1.00 14.21 O ATOM 2024 CB ASP A 128 15.218 -7.497 -1.926 1.00 53.13 C ATOM 2025 CG ASP A 128 13.888 -8.267 -1.953 1.00 14.20 C ATOM 2026 OD1 ASP A 128 12.972 -7.918 -1.175 1.00 3.42 O ATOM 2027 OD2 ASP A 128 13.761 -9.230 -2.748 1.00 13.11 O ATOM 0 H ASP A 128 17.598 -6.917 -1.723 1.00 53.11 H new ATOM 0 HA ASP A 128 15.482 -6.985 0.165 1.00 10.52 H new ATOM 0 HB2 ASP A 128 15.022 -6.446 -2.136 1.00 53.13 H new ATOM 0 HB3 ASP A 128 15.858 -7.868 -2.726 1.00 53.13 H new ATOM 2032 N HIS A 129 14.924 -9.349 0.790 1.00 24.25 N ATOM 2033 CA HIS A 129 14.703 -10.674 1.420 1.00 22.20 C ATOM 2034 C HIS A 129 13.405 -11.317 0.897 1.00 12.35 C ATOM 2035 O HIS A 129 13.290 -12.549 0.856 1.00 22.11 O ATOM 2036 CB HIS A 129 14.600 -10.539 2.972 1.00 35.10 C ATOM 2037 CG HIS A 129 15.902 -10.307 3.696 1.00 10.32 C ATOM 2038 ND1 HIS A 129 16.251 -11.000 4.836 1.00 53.25 N ATOM 2039 CD2 HIS A 129 16.917 -9.435 3.476 1.00 44.34 C ATOM 2040 CE1 HIS A 129 17.408 -10.566 5.280 1.00 72.30 C ATOM 2041 NE2 HIS A 129 17.834 -9.616 4.475 1.00 34.22 N ATOM 0 H HIS A 129 14.214 -8.662 1.043 1.00 24.25 H new ATOM 0 HA HIS A 129 15.555 -11.304 1.162 1.00 22.20 H new ATOM 0 HB2 HIS A 129 13.925 -9.714 3.203 1.00 35.10 H new ATOM 0 HB3 HIS A 129 14.142 -11.446 3.368 1.00 35.10 H new ATOM 0 HD2 HIS A 129 16.988 -8.728 2.662 1.00 44.34 H new ATOM 0 HE1 HIS A 129 17.923 -10.928 6.158 1.00 72.30 H new ATOM 0 HE2 HIS A 129 18.707 -9.098 4.579 1.00 34.22 H new ATOM 2113 N ASP A 134 15.447 -4.876 -6.834 1.00 52.22 N ATOM 2114 CA ASP A 134 16.869 -4.532 -6.670 1.00 25.53 C ATOM 2115 C ASP A 134 17.041 -3.360 -5.670 1.00 75.42 C ATOM 2116 O ASP A 134 16.204 -2.458 -5.666 1.00 64.21 O ATOM 2117 CB ASP A 134 17.491 -4.159 -8.045 1.00 4.32 C ATOM 2118 CG ASP A 134 19.026 -4.045 -8.018 1.00 32.31 C ATOM 2119 OD1 ASP A 134 19.550 -2.972 -7.661 1.00 33.12 O ATOM 2120 OD2 ASP A 134 19.719 -5.041 -8.337 1.00 15.40 O ATOM 0 HA ASP A 134 17.388 -5.403 -6.269 1.00 25.53 H new ATOM 0 HB2 ASP A 134 17.204 -4.911 -8.780 1.00 4.32 H new ATOM 0 HB3 ASP A 134 17.071 -3.210 -8.379 1.00 4.32 H new ATOM 2125 N PRO A 135 18.102 -3.395 -4.783 1.00 73.02 N ATOM 2126 CA PRO A 135 18.499 -2.292 -3.857 1.00 21.14 C ATOM 2127 C PRO A 135 18.246 -0.856 -4.375 1.00 3.40 C ATOM 2128 O PRO A 135 17.686 -0.032 -3.647 1.00 60.34 O ATOM 2129 CB PRO A 135 20.022 -2.563 -3.642 1.00 42.41 C ATOM 2130 CG PRO A 135 20.327 -3.849 -4.381 1.00 44.51 C ATOM 2131 CD PRO A 135 19.003 -4.550 -4.541 1.00 73.05 C ATOM 0 HA PRO A 135 17.893 -2.310 -2.951 1.00 21.14 H new ATOM 0 HB2 PRO A 135 20.623 -1.740 -4.028 1.00 42.41 H new ATOM 0 HB3 PRO A 135 20.255 -2.658 -2.581 1.00 42.41 H new ATOM 0 HG2 PRO A 135 20.782 -3.645 -5.350 1.00 44.51 H new ATOM 0 HG3 PRO A 135 21.031 -4.465 -3.821 1.00 44.51 H new ATOM 0 HD2 PRO A 135 19.006 -5.253 -5.374 1.00 73.05 H new ATOM 0 HD3 PRO A 135 18.723 -5.112 -3.650 1.00 73.05 H new ATOM 2139 N LYS A 136 18.637 -0.581 -5.634 1.00 33.43 N ATOM 2140 CA LYS A 136 18.548 0.778 -6.214 1.00 4.24 C ATOM 2141 C LYS A 136 17.080 1.240 -6.356 1.00 40.21 C ATOM 2142 O LYS A 136 16.784 2.425 -6.200 1.00 72.24 O ATOM 2143 CB LYS A 136 19.295 0.845 -7.580 1.00 15.33 C ATOM 2144 CG LYS A 136 18.649 0.040 -8.724 1.00 3.10 C ATOM 2145 CD LYS A 136 19.515 -0.025 -10.008 1.00 4.12 C ATOM 2146 CE LYS A 136 20.823 -0.811 -9.815 1.00 71.24 C ATOM 2147 NZ LYS A 136 21.643 -0.870 -11.061 1.00 4.44 N ATOM 0 H LYS A 136 19.018 -1.280 -6.271 1.00 33.43 H new ATOM 0 HA LYS A 136 19.038 1.466 -5.525 1.00 4.24 H new ATOM 0 HB2 LYS A 136 19.365 1.889 -7.886 1.00 15.33 H new ATOM 0 HB3 LYS A 136 20.314 0.486 -7.436 1.00 15.33 H new ATOM 0 HG2 LYS A 136 18.453 -0.975 -8.377 1.00 3.10 H new ATOM 0 HG3 LYS A 136 17.684 0.484 -8.969 1.00 3.10 H new ATOM 0 HD2 LYS A 136 18.935 -0.487 -10.807 1.00 4.12 H new ATOM 0 HD3 LYS A 136 19.752 0.989 -10.331 1.00 4.12 H new ATOM 0 HE2 LYS A 136 21.408 -0.348 -9.020 1.00 71.24 H new ATOM 0 HE3 LYS A 136 20.589 -1.825 -9.489 1.00 71.24 H new ATOM 0 HZ1 LYS A 136 22.513 -1.410 -10.879 1.00 4.44 H new ATOM 0 HZ2 LYS A 136 21.098 -1.336 -11.814 1.00 4.44 H new ATOM 0 HZ3 LYS A 136 21.891 0.095 -11.360 1.00 4.44 H new ATOM 2161 N TYR A 137 16.173 0.285 -6.631 1.00 3.30 N ATOM 2162 CA TYR A 137 14.728 0.556 -6.784 1.00 71.40 C ATOM 2163 C TYR A 137 13.998 0.465 -5.431 1.00 2.50 C ATOM 2164 O TYR A 137 12.906 1.023 -5.275 1.00 45.21 O ATOM 2165 CB TYR A 137 14.102 -0.438 -7.793 1.00 74.31 C ATOM 2166 CG TYR A 137 14.789 -0.447 -9.164 1.00 30.23 C ATOM 2167 CD1 TYR A 137 14.733 0.669 -10.002 1.00 14.22 C ATOM 2168 CD2 TYR A 137 15.512 -1.557 -9.610 1.00 3.54 C ATOM 2169 CE1 TYR A 137 15.366 0.672 -11.231 1.00 2.43 C ATOM 2170 CE2 TYR A 137 16.151 -1.555 -10.838 1.00 5.24 C ATOM 2171 CZ TYR A 137 16.073 -0.437 -11.644 1.00 20.45 C ATOM 2172 OH TYR A 137 16.709 -0.422 -12.869 1.00 72.42 O ATOM 0 H TYR A 137 16.419 -0.697 -6.754 1.00 3.30 H new ATOM 0 HA TYR A 137 14.614 1.571 -7.163 1.00 71.40 H new ATOM 0 HB2 TYR A 137 14.142 -1.442 -7.371 1.00 74.31 H new ATOM 0 HB3 TYR A 137 13.049 -0.190 -7.927 1.00 74.31 H new ATOM 0 HD1 TYR A 137 14.186 1.544 -9.684 1.00 14.22 H new ATOM 0 HD2 TYR A 137 15.573 -2.435 -8.983 1.00 3.54 H new ATOM 0 HE1 TYR A 137 15.307 1.543 -11.867 1.00 2.43 H new ATOM 0 HE2 TYR A 137 16.707 -2.422 -11.163 1.00 5.24 H new ATOM 0 HH TYR A 137 17.164 -1.278 -13.012 1.00 72.42 H new ATOM 2182 N LEU A 138 14.595 -0.278 -4.469 1.00 41.23 N ATOM 2183 CA LEU A 138 14.082 -0.381 -3.087 1.00 45.00 C ATOM 2184 C LEU A 138 14.033 1.018 -2.441 1.00 2.13 C ATOM 2185 O LEU A 138 15.041 1.740 -2.432 1.00 64.24 O ATOM 2186 CB LEU A 138 14.961 -1.342 -2.227 1.00 24.21 C ATOM 2187 CG LEU A 138 14.858 -2.872 -2.538 1.00 10.23 C ATOM 2188 CD1 LEU A 138 15.847 -3.685 -1.664 1.00 62.00 C ATOM 2189 CD2 LEU A 138 13.410 -3.390 -2.363 1.00 60.02 C ATOM 0 H LEU A 138 15.443 -0.821 -4.631 1.00 41.23 H new ATOM 0 HA LEU A 138 13.075 -0.795 -3.127 1.00 45.00 H new ATOM 0 HB2 LEU A 138 16.003 -1.043 -2.343 1.00 24.21 H new ATOM 0 HB3 LEU A 138 14.701 -1.192 -1.179 1.00 24.21 H new ATOM 0 HG LEU A 138 15.134 -3.014 -3.583 1.00 10.23 H new ATOM 0 HD11 LEU A 138 15.755 -4.745 -1.900 1.00 62.00 H new ATOM 0 HD12 LEU A 138 16.866 -3.356 -1.866 1.00 62.00 H new ATOM 0 HD13 LEU A 138 15.616 -3.527 -0.610 1.00 62.00 H new ATOM 0 HD21 LEU A 138 13.375 -4.456 -2.587 1.00 60.02 H new ATOM 0 HD22 LEU A 138 13.086 -3.224 -1.335 1.00 60.02 H new ATOM 0 HD23 LEU A 138 12.747 -2.855 -3.043 1.00 60.02 H new ATOM 2201 N HIS A 139 12.856 1.388 -1.911 1.00 24.34 N ATOM 2202 CA HIS A 139 12.609 2.726 -1.358 1.00 11.31 C ATOM 2203 C HIS A 139 11.695 2.624 -0.130 1.00 24.33 C ATOM 2204 O HIS A 139 10.605 2.051 -0.213 1.00 40.11 O ATOM 2205 CB HIS A 139 11.963 3.631 -2.437 1.00 0.51 C ATOM 2206 CG HIS A 139 11.688 5.038 -1.981 1.00 1.15 C ATOM 2207 ND1 HIS A 139 10.427 5.597 -1.960 1.00 62.11 N ATOM 2208 CD2 HIS A 139 12.525 6.002 -1.536 1.00 42.04 C ATOM 2209 CE1 HIS A 139 10.504 6.834 -1.527 1.00 30.42 C ATOM 2210 NE2 HIS A 139 11.766 7.105 -1.266 1.00 75.21 N ATOM 0 H HIS A 139 12.049 0.766 -1.855 1.00 24.34 H new ATOM 0 HA HIS A 139 13.557 3.168 -1.052 1.00 11.31 H new ATOM 0 HB2 HIS A 139 12.619 3.665 -3.306 1.00 0.51 H new ATOM 0 HB3 HIS A 139 11.027 3.177 -2.762 1.00 0.51 H new ATOM 0 HD2 HIS A 139 13.595 5.916 -1.416 1.00 42.04 H new ATOM 0 HE1 HIS A 139 9.674 7.514 -1.406 1.00 30.42 H new ATOM 0 HE2 HIS A 139 12.120 7.996 -0.918 1.00 75.21 H new ATOM 2219 N GLN A 140 12.154 3.189 0.998 1.00 55.51 N ATOM 2220 CA GLN A 140 11.377 3.256 2.247 1.00 33.41 C ATOM 2221 C GLN A 140 10.218 4.259 2.126 1.00 53.33 C ATOM 2222 O GLN A 140 10.247 5.170 1.285 1.00 1.05 O ATOM 2223 CB GLN A 140 12.276 3.694 3.436 1.00 51.35 C ATOM 2224 CG GLN A 140 13.509 2.812 3.687 1.00 2.12 C ATOM 2225 CD GLN A 140 14.310 3.218 4.927 1.00 45.45 C ATOM 2226 OE1 GLN A 140 14.328 4.386 5.321 1.00 64.03 O ATOM 2227 NE2 GLN A 140 15.006 2.266 5.533 1.00 34.15 N ATOM 0 H GLN A 140 13.078 3.614 1.070 1.00 55.51 H new ATOM 0 HA GLN A 140 10.981 2.257 2.429 1.00 33.41 H new ATOM 0 HB2 GLN A 140 12.611 4.716 3.260 1.00 51.35 H new ATOM 0 HB3 GLN A 140 11.670 3.709 4.342 1.00 51.35 H new ATOM 0 HG2 GLN A 140 13.188 1.776 3.795 1.00 2.12 H new ATOM 0 HG3 GLN A 140 14.160 2.855 2.814 1.00 2.12 H new ATOM 0 HE21 GLN A 140 14.971 1.308 5.184 1.00 34.15 H new ATOM 0 HE22 GLN A 140 15.576 2.491 6.348 1.00 34.15 H new ATOM 2236 N PHE A 141 9.203 4.072 2.981 1.00 34.44 N ATOM 2237 CA PHE A 141 8.164 5.081 3.222 1.00 75.13 C ATOM 2238 C PHE A 141 8.776 6.242 4.029 1.00 25.55 C ATOM 2239 O PHE A 141 8.802 6.209 5.269 1.00 33.32 O ATOM 2240 CB PHE A 141 6.972 4.454 3.988 1.00 64.20 C ATOM 2241 CG PHE A 141 6.400 3.210 3.326 1.00 60.32 C ATOM 2242 CD1 PHE A 141 5.699 3.300 2.129 1.00 60.15 C ATOM 2243 CD2 PHE A 141 6.554 1.953 3.909 1.00 21.22 C ATOM 2244 CE1 PHE A 141 5.175 2.172 1.537 1.00 32.32 C ATOM 2245 CE2 PHE A 141 6.027 0.829 3.317 1.00 2.43 C ATOM 2246 CZ PHE A 141 5.335 0.939 2.130 1.00 72.44 C ATOM 0 H PHE A 141 9.080 3.218 3.524 1.00 34.44 H new ATOM 0 HA PHE A 141 7.790 5.458 2.270 1.00 75.13 H new ATOM 0 HB2 PHE A 141 7.295 4.200 4.998 1.00 64.20 H new ATOM 0 HB3 PHE A 141 6.182 5.199 4.083 1.00 64.20 H new ATOM 0 HD1 PHE A 141 5.564 4.263 1.659 1.00 60.15 H new ATOM 0 HD2 PHE A 141 7.095 1.861 4.839 1.00 21.22 H new ATOM 0 HE1 PHE A 141 4.637 2.255 0.604 1.00 32.32 H new ATOM 0 HE2 PHE A 141 6.155 -0.138 3.781 1.00 2.43 H new ATOM 0 HZ PHE A 141 4.918 0.058 1.665 1.00 72.44 H new ATOM 2256 N GLU A 142 9.331 7.227 3.311 1.00 52.12 N ATOM 2257 CA GLU A 142 9.977 8.391 3.931 1.00 73.43 C ATOM 2258 C GLU A 142 8.936 9.468 4.254 1.00 4.10 C ATOM 2259 O GLU A 142 8.529 10.246 3.387 1.00 71.21 O ATOM 2260 CB GLU A 142 11.123 8.943 3.038 1.00 42.21 C ATOM 2261 CG GLU A 142 10.767 9.174 1.554 1.00 32.25 C ATOM 2262 CD GLU A 142 11.883 9.885 0.774 1.00 12.43 C ATOM 2263 OE1 GLU A 142 12.893 9.233 0.439 1.00 33.32 O ATOM 2264 OE2 GLU A 142 11.755 11.099 0.502 1.00 62.13 O ATOM 0 H GLU A 142 9.345 7.240 2.291 1.00 52.12 H new ATOM 0 HA GLU A 142 10.433 8.074 4.869 1.00 73.43 H new ATOM 0 HB2 GLU A 142 11.465 9.887 3.461 1.00 42.21 H new ATOM 0 HB3 GLU A 142 11.962 8.249 3.087 1.00 42.21 H new ATOM 0 HG2 GLU A 142 10.556 8.214 1.083 1.00 32.25 H new ATOM 0 HG3 GLU A 142 9.854 9.766 1.493 1.00 32.25 H new ATOM 2271 N GLY A 143 8.488 9.485 5.508 1.00 25.21 N ATOM 2272 CA GLY A 143 7.515 10.465 5.960 1.00 43.12 C ATOM 2273 C GLY A 143 7.011 10.161 7.346 1.00 45.01 C ATOM 2274 O GLY A 143 7.808 9.828 8.237 1.00 40.33 O ATOM 0 H GLY A 143 8.787 8.827 6.228 1.00 25.21 H new ATOM 0 HA2 GLY A 143 7.967 11.457 5.948 1.00 43.12 H new ATOM 0 HA3 GLY A 143 6.675 10.489 5.266 1.00 43.12 H new ATOM 2278 N GLU A 144 5.687 10.280 7.540 1.00 53.12 N ATOM 2279 CA GLU A 144 5.042 10.228 8.866 1.00 3.50 C ATOM 2280 C GLU A 144 3.661 9.559 8.747 1.00 31.25 C ATOM 2281 O GLU A 144 3.359 8.573 9.436 1.00 74.30 O ATOM 2282 CB GLU A 144 4.880 11.675 9.447 1.00 62.32 C ATOM 2283 CG GLU A 144 6.193 12.490 9.577 1.00 55.23 C ATOM 2284 CD GLU A 144 5.998 13.938 10.058 1.00 71.10 C ATOM 2285 OE1 GLU A 144 5.239 14.683 9.406 1.00 10.54 O ATOM 2286 OE2 GLU A 144 6.605 14.334 11.081 1.00 1.33 O ATOM 0 H GLU A 144 5.027 10.416 6.775 1.00 53.12 H new ATOM 0 HA GLU A 144 5.669 9.645 9.540 1.00 3.50 H new ATOM 0 HB2 GLU A 144 4.190 12.229 8.810 1.00 62.32 H new ATOM 0 HB3 GLU A 144 4.418 11.603 10.431 1.00 62.32 H new ATOM 0 HG2 GLU A 144 6.858 11.976 10.271 1.00 55.23 H new ATOM 0 HG3 GLU A 144 6.694 12.506 8.609 1.00 55.23 H new ATOM 2293 N THR A 145 2.822 10.125 7.867 1.00 44.04 N ATOM 2294 CA THR A 145 1.417 9.731 7.707 1.00 52.33 C ATOM 2295 C THR A 145 1.265 8.667 6.604 1.00 61.35 C ATOM 2296 O THR A 145 1.557 8.930 5.443 1.00 52.03 O ATOM 2297 CB THR A 145 0.537 10.984 7.374 1.00 64.03 C ATOM 2298 OG1 THR A 145 0.721 11.977 8.397 1.00 53.13 O ATOM 2299 CG2 THR A 145 -0.962 10.634 7.271 1.00 15.53 C ATOM 0 H THR A 145 3.105 10.878 7.240 1.00 44.04 H new ATOM 0 HA THR A 145 1.076 9.298 8.648 1.00 52.33 H new ATOM 0 HB THR A 145 0.856 11.364 6.404 1.00 64.03 H new ATOM 0 HG1 THR A 145 0.174 12.763 8.192 1.00 53.13 H new ATOM 0 HG21 THR A 145 -1.531 11.534 7.039 1.00 15.53 H new ATOM 0 HG22 THR A 145 -1.110 9.897 6.481 1.00 15.53 H new ATOM 0 HG23 THR A 145 -1.306 10.222 8.220 1.00 15.53 H new ATOM 2307 N PHE A 146 0.805 7.468 6.993 1.00 70.20 N ATOM 2308 CA PHE A 146 0.528 6.351 6.068 1.00 44.42 C ATOM 2309 C PHE A 146 -0.923 6.403 5.559 1.00 51.01 C ATOM 2310 O PHE A 146 -1.833 6.811 6.290 1.00 2.53 O ATOM 2311 CB PHE A 146 0.789 4.992 6.777 1.00 60.44 C ATOM 2312 CG PHE A 146 2.268 4.643 6.921 1.00 63.04 C ATOM 2313 CD1 PHE A 146 3.082 5.294 7.849 1.00 21.12 C ATOM 2314 CD2 PHE A 146 2.845 3.658 6.116 1.00 53.53 C ATOM 2315 CE1 PHE A 146 4.420 4.972 7.963 1.00 64.23 C ATOM 2316 CE2 PHE A 146 4.178 3.338 6.234 1.00 32.14 C ATOM 2317 CZ PHE A 146 4.966 3.988 7.156 1.00 52.33 C ATOM 0 H PHE A 146 0.612 7.241 7.969 1.00 70.20 H new ATOM 0 HA PHE A 146 1.197 6.446 5.213 1.00 44.42 H new ATOM 0 HB2 PHE A 146 0.334 5.017 7.767 1.00 60.44 H new ATOM 0 HB3 PHE A 146 0.292 4.200 6.217 1.00 60.44 H new ATOM 0 HD1 PHE A 146 2.661 6.058 8.485 1.00 21.12 H new ATOM 0 HD2 PHE A 146 2.236 3.140 5.390 1.00 53.53 H new ATOM 0 HE1 PHE A 146 5.040 5.487 8.681 1.00 64.23 H new ATOM 0 HE2 PHE A 146 4.607 2.575 5.601 1.00 32.14 H new ATOM 0 HZ PHE A 146 6.011 3.731 7.250 1.00 52.33 H new ATOM 2327 N TYR A 147 -1.112 5.996 4.292 1.00 73.33 N ATOM 2328 CA TYR A 147 -2.438 5.786 3.678 1.00 22.15 C ATOM 2329 C TYR A 147 -2.588 4.314 3.295 1.00 2.41 C ATOM 2330 O TYR A 147 -1.656 3.702 2.768 1.00 35.25 O ATOM 2331 CB TYR A 147 -2.631 6.675 2.418 1.00 62.23 C ATOM 2332 CG TYR A 147 -2.936 8.144 2.719 1.00 74.20 C ATOM 2333 CD1 TYR A 147 -1.981 8.980 3.288 1.00 44.02 C ATOM 2334 CD2 TYR A 147 -4.180 8.701 2.408 1.00 3.13 C ATOM 2335 CE1 TYR A 147 -2.257 10.305 3.546 1.00 0.52 C ATOM 2336 CE2 TYR A 147 -4.452 10.025 2.667 1.00 21.02 C ATOM 2337 CZ TYR A 147 -3.487 10.825 3.226 1.00 1.44 C ATOM 2338 OH TYR A 147 -3.755 12.159 3.466 1.00 32.51 O ATOM 0 H TYR A 147 -0.339 5.801 3.656 1.00 73.33 H new ATOM 0 HA TYR A 147 -3.200 6.066 4.405 1.00 22.15 H new ATOM 0 HB2 TYR A 147 -1.728 6.622 1.809 1.00 62.23 H new ATOM 0 HB3 TYR A 147 -3.444 6.263 1.819 1.00 62.23 H new ATOM 0 HD1 TYR A 147 -1.006 8.584 3.532 1.00 44.02 H new ATOM 0 HD2 TYR A 147 -4.941 8.081 1.957 1.00 3.13 H new ATOM 0 HE1 TYR A 147 -1.506 10.935 4.000 1.00 0.52 H new ATOM 0 HE2 TYR A 147 -5.423 10.434 2.431 1.00 21.02 H new ATOM 0 HH TYR A 147 -2.914 12.642 3.603 1.00 32.51 H new ATOM 2348 N ILE A 148 -3.770 3.760 3.569 1.00 13.21 N ATOM 2349 CA ILE A 148 -4.132 2.390 3.197 1.00 63.13 C ATOM 2350 C ILE A 148 -5.346 2.443 2.251 1.00 53.34 C ATOM 2351 O ILE A 148 -6.440 2.859 2.650 1.00 25.41 O ATOM 2352 CB ILE A 148 -4.428 1.511 4.470 1.00 22.45 C ATOM 2353 CG1 ILE A 148 -3.143 1.389 5.366 1.00 51.13 C ATOM 2354 CG2 ILE A 148 -4.954 0.119 4.064 1.00 65.20 C ATOM 2355 CD1 ILE A 148 -3.276 0.486 6.583 1.00 25.21 C ATOM 0 H ILE A 148 -4.513 4.256 4.062 1.00 13.21 H new ATOM 0 HA ILE A 148 -3.295 1.918 2.683 1.00 63.13 H new ATOM 0 HB ILE A 148 -5.204 2.004 5.055 1.00 22.45 H new ATOM 0 HG12 ILE A 148 -2.325 1.019 4.748 1.00 51.13 H new ATOM 0 HG13 ILE A 148 -2.861 2.386 5.704 1.00 51.13 H new ATOM 0 HG21 ILE A 148 -5.152 -0.471 4.959 1.00 65.20 H new ATOM 0 HG22 ILE A 148 -5.875 0.231 3.492 1.00 65.20 H new ATOM 0 HG23 ILE A 148 -4.207 -0.388 3.453 1.00 65.20 H new ATOM 0 HD11 ILE A 148 -2.334 0.473 7.131 1.00 25.21 H new ATOM 0 HD12 ILE A 148 -4.067 0.863 7.231 1.00 25.21 H new ATOM 0 HD13 ILE A 148 -3.522 -0.526 6.260 1.00 25.21 H new ATOM 2367 N ILE A 149 -5.115 2.056 0.988 1.00 12.31 N ATOM 2368 CA ILE A 149 -6.122 2.091 -0.079 1.00 34.41 C ATOM 2369 C ILE A 149 -6.680 0.673 -0.284 1.00 61.31 C ATOM 2370 O ILE A 149 -5.948 -0.219 -0.734 1.00 62.11 O ATOM 2371 CB ILE A 149 -5.485 2.614 -1.426 1.00 72.13 C ATOM 2372 CG1 ILE A 149 -4.707 3.954 -1.205 1.00 52.11 C ATOM 2373 CG2 ILE A 149 -6.551 2.769 -2.538 1.00 70.43 C ATOM 2374 CD1 ILE A 149 -5.522 5.103 -0.617 1.00 53.10 C ATOM 0 H ILE A 149 -4.210 1.705 0.676 1.00 12.31 H new ATOM 0 HA ILE A 149 -6.925 2.770 0.207 1.00 34.41 H new ATOM 0 HB ILE A 149 -4.769 1.862 -1.758 1.00 72.13 H new ATOM 0 HG12 ILE A 149 -3.862 3.758 -0.545 1.00 52.11 H new ATOM 0 HG13 ILE A 149 -4.296 4.276 -2.162 1.00 52.11 H new ATOM 0 HG21 ILE A 149 -6.076 3.131 -3.450 1.00 70.43 H new ATOM 0 HG22 ILE A 149 -7.019 1.803 -2.731 1.00 70.43 H new ATOM 0 HG23 ILE A 149 -7.310 3.482 -2.217 1.00 70.43 H new ATOM 0 HD11 ILE A 149 -4.886 5.981 -0.506 1.00 53.10 H new ATOM 0 HD12 ILE A 149 -6.352 5.338 -1.283 1.00 53.10 H new ATOM 0 HD13 ILE A 149 -5.911 4.811 0.359 1.00 53.10 H new ATOM 2386 N GLU A 150 -7.956 0.469 0.073 1.00 34.33 N ATOM 2387 CA GLU A 150 -8.633 -0.825 -0.085 1.00 5.13 C ATOM 2388 C GLU A 150 -8.846 -1.132 -1.582 1.00 63.34 C ATOM 2389 O GLU A 150 -9.695 -0.525 -2.244 1.00 11.13 O ATOM 2390 CB GLU A 150 -9.990 -0.822 0.681 1.00 1.31 C ATOM 2391 CG GLU A 150 -10.805 -2.137 0.570 1.00 41.34 C ATOM 2392 CD GLU A 150 -12.131 -2.125 1.350 1.00 73.01 C ATOM 2393 OE1 GLU A 150 -13.011 -1.298 1.024 1.00 4.33 O ATOM 2394 OE2 GLU A 150 -12.322 -2.977 2.253 1.00 10.15 O ATOM 0 H GLU A 150 -8.546 1.195 0.479 1.00 34.33 H new ATOM 0 HA GLU A 150 -8.005 -1.608 0.340 1.00 5.13 H new ATOM 0 HB2 GLU A 150 -9.796 -0.620 1.734 1.00 1.31 H new ATOM 0 HB3 GLU A 150 -10.600 -0.000 0.306 1.00 1.31 H new ATOM 0 HG2 GLU A 150 -11.017 -2.332 -0.481 1.00 41.34 H new ATOM 0 HG3 GLU A 150 -10.192 -2.963 0.931 1.00 41.34 H new ATOM 2401 N GLN A 151 -8.046 -2.069 -2.095 1.00 73.30 N ATOM 2402 CA GLN A 151 -8.130 -2.546 -3.479 1.00 51.42 C ATOM 2403 C GLN A 151 -8.691 -3.970 -3.470 1.00 54.14 C ATOM 2404 O GLN A 151 -7.971 -4.917 -3.164 1.00 24.24 O ATOM 2405 CB GLN A 151 -6.716 -2.505 -4.141 1.00 64.23 C ATOM 2406 CG GLN A 151 -6.107 -1.093 -4.296 1.00 61.34 C ATOM 2407 CD GLN A 151 -6.933 -0.173 -5.201 1.00 12.25 C ATOM 2408 OE1 GLN A 151 -7.804 0.562 -4.742 1.00 74.13 O ATOM 2409 NE2 GLN A 151 -6.678 -0.224 -6.501 1.00 35.53 N ATOM 0 H GLN A 151 -7.311 -2.525 -1.554 1.00 73.30 H new ATOM 0 HA GLN A 151 -8.791 -1.904 -4.062 1.00 51.42 H new ATOM 0 HB2 GLN A 151 -6.035 -3.114 -3.546 1.00 64.23 H new ATOM 0 HB3 GLN A 151 -6.779 -2.967 -5.126 1.00 64.23 H new ATOM 0 HG2 GLN A 151 -6.014 -0.635 -3.311 1.00 61.34 H new ATOM 0 HG3 GLN A 151 -5.100 -1.182 -4.702 1.00 61.34 H new ATOM 0 HE21 GLN A 151 -5.949 -0.844 -6.854 1.00 35.53 H new ATOM 0 HE22 GLN A 151 -7.211 0.357 -7.148 1.00 35.53 H new ATOM 2418 N ARG A 152 -9.990 -4.115 -3.781 1.00 21.11 N ATOM 2419 CA ARG A 152 -10.631 -5.440 -3.915 1.00 51.33 C ATOM 2420 C ARG A 152 -10.118 -6.118 -5.214 1.00 3.31 C ATOM 2421 O ARG A 152 -9.442 -5.473 -6.037 1.00 33.41 O ATOM 2422 CB ARG A 152 -12.194 -5.289 -3.949 1.00 52.20 C ATOM 2423 CG ARG A 152 -12.992 -6.541 -3.477 1.00 4.01 C ATOM 2424 CD ARG A 152 -13.130 -6.625 -1.947 1.00 21.33 C ATOM 2425 NE ARG A 152 -13.919 -5.501 -1.408 1.00 44.22 N ATOM 2426 CZ ARG A 152 -13.779 -4.961 -0.183 1.00 20.12 C ATOM 2427 NH1 ARG A 152 -12.883 -5.426 0.679 1.00 45.44 N ATOM 2428 NH2 ARG A 152 -14.546 -3.943 0.172 1.00 20.12 N ATOM 0 H ARG A 152 -10.621 -3.330 -3.945 1.00 21.11 H new ATOM 0 HA ARG A 152 -10.373 -6.061 -3.057 1.00 51.33 H new ATOM 0 HB2 ARG A 152 -12.475 -4.442 -3.323 1.00 52.20 H new ATOM 0 HB3 ARG A 152 -12.498 -5.047 -4.968 1.00 52.20 H new ATOM 0 HG2 ARG A 152 -13.985 -6.522 -3.925 1.00 4.01 H new ATOM 0 HG3 ARG A 152 -12.495 -7.440 -3.841 1.00 4.01 H new ATOM 0 HD2 ARG A 152 -13.606 -7.567 -1.676 1.00 21.33 H new ATOM 0 HD3 ARG A 152 -12.140 -6.626 -1.492 1.00 21.33 H new ATOM 0 HE ARG A 152 -14.632 -5.098 -2.016 1.00 44.22 H new ATOM 0 HH11 ARG A 152 -12.283 -6.208 0.418 1.00 45.44 H new ATOM 0 HH12 ARG A 152 -12.795 -5.001 1.602 1.00 45.44 H new ATOM 0 HH21 ARG A 152 -15.237 -3.573 -0.481 1.00 20.12 H new ATOM 0 HH22 ARG A 152 -14.446 -3.528 1.098 1.00 20.12 H new ATOM 2442 N LEU A 153 -10.431 -7.411 -5.400 1.00 53.13 N ATOM 2443 CA LEU A 153 -10.232 -8.081 -6.699 1.00 60.43 C ATOM 2444 C LEU A 153 -11.194 -7.510 -7.764 1.00 13.43 C ATOM 2445 O LEU A 153 -12.102 -6.718 -7.463 1.00 33.12 O ATOM 2446 CB LEU A 153 -10.425 -9.633 -6.579 1.00 15.03 C ATOM 2447 CG LEU A 153 -9.177 -10.458 -6.143 1.00 22.42 C ATOM 2448 CD1 LEU A 153 -9.513 -11.968 -6.093 1.00 23.31 C ATOM 2449 CD2 LEU A 153 -7.975 -10.184 -7.087 1.00 21.35 C ATOM 0 H LEU A 153 -10.821 -8.011 -4.673 1.00 53.13 H new ATOM 0 HA LEU A 153 -9.206 -7.888 -7.011 1.00 60.43 H new ATOM 0 HB2 LEU A 153 -11.226 -9.823 -5.864 1.00 15.03 H new ATOM 0 HB3 LEU A 153 -10.763 -10.010 -7.544 1.00 15.03 H new ATOM 0 HG LEU A 153 -8.891 -10.142 -5.140 1.00 22.42 H new ATOM 0 HD11 LEU A 153 -8.629 -12.527 -5.787 1.00 23.31 H new ATOM 0 HD12 LEU A 153 -10.317 -12.138 -5.377 1.00 23.31 H new ATOM 0 HD13 LEU A 153 -9.830 -12.303 -7.081 1.00 23.31 H new ATOM 0 HD21 LEU A 153 -7.116 -10.771 -6.762 1.00 21.35 H new ATOM 0 HD22 LEU A 153 -8.242 -10.464 -8.106 1.00 21.35 H new ATOM 0 HD23 LEU A 153 -7.722 -9.124 -7.056 1.00 21.35 H new