USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=35 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+ 147:sc= 0.343 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot 3:sc= 0.774 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 166:sc= 0.432 (180deg=0.656) USER MOD Set 2.2: A 24 TYR OH : rot 130:sc= -0.0216 USER MOD Set 2.3: A 37 ASN : amide:sc= -2.99! K(o=-2.6!,f=-5.1) USER MOD Single : A 10 THR OG1 : rot 24:sc= 0.411 USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000557 USER MOD Single : A 12 TYR OH : rot 30:sc= -0.698 USER MOD Single : A 14 SER OG : rot -3:sc= 0.672 USER MOD Single : A 16 GLN : amide:sc= -0.0568 X(o=-0.057,f=-0.31) USER MOD Single : A 18 THR OG1 : rot 0:sc= 0.577 USER MOD Single : A 20 MET CE :methyl -130:sc= -1.15 (180deg=-5!) USER MOD Single : A 26 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.9!) USER MOD Single : A 27 SER OG : rot -21:sc= 0.367 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0088 (180deg=-0.153) USER MOD Single : A 34 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -25:sc= 0.301 USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.000129 USER MOD Single : A 44 ASN : amide:sc= -0.308 K(o=-0.31,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00689) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.0523 (180deg=-0.357) USER MOD Single : A 55 TYR OH : rot 55:sc= 0.745 USER MOD Single : A 58 MET CE :methyl -121:sc= -0.441 (180deg=-0.952) USER MOD Single : A 62 THR OG1 : rot -168:sc= 0.522 USER MOD Single : A 64 LYS NZ :NH3+ 132:sc= 0.567 (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= -0.378 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 76 THR OG1 : rot -146:sc= -1.2 USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00499) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0895 USER MOD Single : A 100 SER OG : rot 180:sc= -0.153 USER MOD Single : A 104 GLN : amide:sc= 0.0701 X(o=0.07,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.083) USER MOD Single : A 115 THR OG1 : rot 120:sc= -0.0526 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -0.0575 K(o=-0.058,f=-0.97) USER MOD Single : A 119 TYR OH : rot -173:sc= 0.638 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.194 F(o=-1.6,f=-0.19) USER MOD Single : A 122 TYR OH : rot 90:sc= -0.604 USER MOD Single : A 124 GLN :FLIP amide:sc= -0.178 F(o=-3!,f=-0.18) USER MOD Single : A 127 HIS : no HD1:sc=-0.00134 X(o=-0.0013,f=-0.0021) USER MOD Single : A 129 HIS : no HD1:sc= -0.496 X(o=-0.5,f=0) 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 X(o=0,f=-0.093) USER MOD Single : A 140 GLN : amide:sc= 0.203 X(o=0.2,f=-0.16) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -8.628 3.916 -11.290 1.00 74.31 N ATOM 140 CA THR A 10 -8.238 2.787 -12.164 1.00 32.22 C ATOM 141 C THR A 10 -6.804 2.326 -11.751 1.00 51.14 C ATOM 142 O THR A 10 -6.243 2.850 -10.777 1.00 33.10 O ATOM 143 CB THR A 10 -8.310 3.211 -13.695 1.00 4.03 C ATOM 144 OG1 THR A 10 -9.382 4.148 -13.916 1.00 51.43 O ATOM 145 CG2 THR A 10 -8.524 2.010 -14.644 1.00 73.54 C ATOM 0 HA THR A 10 -8.930 1.954 -12.042 1.00 32.22 H new ATOM 0 HB THR A 10 -7.345 3.665 -13.920 1.00 4.03 H new ATOM 0 HG1 THR A 10 -9.590 4.611 -13.078 1.00 51.43 H new ATOM 0 HG21 THR A 10 -8.565 2.363 -15.674 1.00 73.54 H new ATOM 0 HG22 THR A 10 -7.698 1.307 -14.534 1.00 73.54 H new ATOM 0 HG23 THR A 10 -9.460 1.511 -14.394 1.00 73.54 H new ATOM 153 N THR A 11 -6.213 1.374 -12.503 1.00 3.14 N ATOM 154 CA THR A 11 -4.933 0.718 -12.158 1.00 0.12 C ATOM 155 C THR A 11 -3.721 1.679 -12.155 1.00 55.42 C ATOM 156 O THR A 11 -2.721 1.382 -11.502 1.00 64.14 O ATOM 157 CB THR A 11 -4.666 -0.468 -13.144 1.00 33.42 C ATOM 158 OG1 THR A 11 -4.769 0.002 -14.498 1.00 73.53 O ATOM 159 CG2 THR A 11 -5.658 -1.631 -12.930 1.00 34.11 C ATOM 0 H THR A 11 -6.615 1.035 -13.377 1.00 3.14 H new ATOM 0 HA THR A 11 -5.038 0.354 -11.136 1.00 0.12 H new ATOM 0 HB THR A 11 -3.662 -0.844 -12.947 1.00 33.42 H new ATOM 0 HG1 THR A 11 -4.600 -0.740 -15.116 1.00 73.53 H new ATOM 0 HG21 THR A 11 -5.437 -2.432 -13.635 1.00 34.11 H new ATOM 0 HG22 THR A 11 -5.563 -2.007 -11.911 1.00 34.11 H new ATOM 0 HG23 THR A 11 -6.676 -1.276 -13.092 1.00 34.11 H new ATOM 167 N TYR A 12 -3.822 2.823 -12.870 1.00 31.23 N ATOM 168 CA TYR A 12 -2.733 3.826 -12.959 1.00 74.25 C ATOM 169 C TYR A 12 -2.250 4.262 -11.554 1.00 32.23 C ATOM 170 O TYR A 12 -1.052 4.357 -11.298 1.00 63.24 O ATOM 171 CB TYR A 12 -3.192 5.066 -13.791 1.00 33.31 C ATOM 172 CG TYR A 12 -4.298 5.925 -13.138 1.00 74.31 C ATOM 173 CD1 TYR A 12 -5.636 5.563 -13.225 1.00 71.03 C ATOM 174 CD2 TYR A 12 -3.989 7.078 -12.414 1.00 34.34 C ATOM 175 CE1 TYR A 12 -6.624 6.312 -12.617 1.00 5.45 C ATOM 176 CE2 TYR A 12 -4.975 7.826 -11.807 1.00 24.44 C ATOM 177 CZ TYR A 12 -6.290 7.440 -11.910 1.00 21.33 C ATOM 178 OH TYR A 12 -7.279 8.188 -11.308 1.00 42.32 O ATOM 0 H TYR A 12 -4.656 3.077 -13.399 1.00 31.23 H new ATOM 0 HA TYR A 12 -1.892 3.357 -13.470 1.00 74.25 H new ATOM 0 HB2 TYR A 12 -2.325 5.700 -13.977 1.00 33.31 H new ATOM 0 HB3 TYR A 12 -3.548 4.720 -14.761 1.00 33.31 H new ATOM 0 HD1 TYR A 12 -5.909 4.677 -13.780 1.00 71.03 H new ATOM 0 HD2 TYR A 12 -2.959 7.390 -12.328 1.00 34.34 H new ATOM 0 HE1 TYR A 12 -7.658 6.011 -12.698 1.00 5.45 H new ATOM 0 HE2 TYR A 12 -4.714 8.714 -11.251 1.00 24.44 H new ATOM 0 HH TYR A 12 -8.024 7.603 -11.057 1.00 42.32 H new ATOM 188 N ALA A 13 -3.219 4.444 -10.642 1.00 64.12 N ATOM 189 CA ALA A 13 -2.979 4.969 -9.294 1.00 22.25 C ATOM 190 C ALA A 13 -2.274 3.936 -8.402 1.00 24.42 C ATOM 191 O ALA A 13 -1.482 4.307 -7.536 1.00 3.24 O ATOM 192 CB ALA A 13 -4.312 5.405 -8.676 1.00 34.41 C ATOM 0 H ALA A 13 -4.199 4.228 -10.825 1.00 64.12 H new ATOM 0 HA ALA A 13 -2.316 5.831 -9.369 1.00 22.25 H new ATOM 0 HB1 ALA A 13 -4.138 5.796 -7.674 1.00 34.41 H new ATOM 0 HB2 ALA A 13 -4.763 6.181 -9.295 1.00 34.41 H new ATOM 0 HB3 ALA A 13 -4.984 4.549 -8.620 1.00 34.41 H new ATOM 198 N SER A 14 -2.563 2.640 -8.639 1.00 41.20 N ATOM 199 CA SER A 14 -2.017 1.533 -7.832 1.00 14.02 C ATOM 200 C SER A 14 -0.611 1.112 -8.310 1.00 64.00 C ATOM 201 O SER A 14 0.235 0.724 -7.494 1.00 52.01 O ATOM 202 CB SER A 14 -2.999 0.330 -7.841 1.00 40.55 C ATOM 203 OG SER A 14 -3.306 -0.098 -9.156 1.00 22.41 O ATOM 0 H SER A 14 -3.179 2.334 -9.392 1.00 41.20 H new ATOM 0 HA SER A 14 -1.908 1.886 -6.806 1.00 14.02 H new ATOM 0 HB2 SER A 14 -2.562 -0.498 -7.284 1.00 40.55 H new ATOM 0 HB3 SER A 14 -3.919 0.610 -7.327 1.00 40.55 H new ATOM 0 HG SER A 14 -2.872 0.496 -9.803 1.00 22.41 H new ATOM 209 N LYS A 15 -0.375 1.208 -9.628 1.00 34.34 N ATOM 210 CA LYS A 15 0.881 0.757 -10.265 1.00 4.33 C ATOM 211 C LYS A 15 1.989 1.811 -10.128 1.00 12.44 C ATOM 212 O LYS A 15 3.137 1.475 -9.801 1.00 71.33 O ATOM 213 CB LYS A 15 0.627 0.420 -11.757 1.00 52.42 C ATOM 214 CG LYS A 15 -0.411 -0.697 -11.981 1.00 12.52 C ATOM 215 CD LYS A 15 0.021 -2.052 -11.386 1.00 4.31 C ATOM 216 CE LYS A 15 -1.069 -3.119 -11.537 1.00 53.34 C ATOM 217 NZ LYS A 15 -0.621 -4.437 -11.027 1.00 43.52 N ATOM 0 H LYS A 15 -1.048 1.600 -10.286 1.00 34.34 H new ATOM 0 HA LYS A 15 1.220 -0.143 -9.751 1.00 4.33 H new ATOM 0 HB2 LYS A 15 0.292 1.321 -12.270 1.00 52.42 H new ATOM 0 HB3 LYS A 15 1.570 0.123 -12.217 1.00 52.42 H new ATOM 0 HG2 LYS A 15 -1.360 -0.398 -11.536 1.00 12.52 H new ATOM 0 HG3 LYS A 15 -0.584 -0.815 -13.051 1.00 12.52 H new ATOM 0 HD2 LYS A 15 0.931 -2.391 -11.880 1.00 4.31 H new ATOM 0 HD3 LYS A 15 0.260 -1.925 -10.330 1.00 4.31 H new ATOM 0 HE2 LYS A 15 -1.963 -2.805 -10.998 1.00 53.34 H new ATOM 0 HE3 LYS A 15 -1.346 -3.210 -12.587 1.00 53.34 H new ATOM 0 HZ1 LYS A 15 -1.442 -5.067 -10.924 1.00 43.52 H new ATOM 0 HZ2 LYS A 15 0.055 -4.857 -11.697 1.00 43.52 H new ATOM 0 HZ3 LYS A 15 -0.161 -4.313 -10.102 1.00 43.52 H new ATOM 231 N GLN A 16 1.635 3.090 -10.381 1.00 43.11 N ATOM 232 CA GLN A 16 2.571 4.223 -10.204 1.00 63.45 C ATOM 233 C GLN A 16 2.967 4.362 -8.726 1.00 51.54 C ATOM 234 O GLN A 16 4.106 4.727 -8.416 1.00 74.13 O ATOM 235 CB GLN A 16 1.968 5.554 -10.730 1.00 15.04 C ATOM 236 CG GLN A 16 1.702 5.586 -12.253 1.00 34.42 C ATOM 237 CD GLN A 16 2.952 5.360 -13.119 1.00 2.23 C ATOM 238 OE1 GLN A 16 4.072 5.691 -12.731 1.00 75.53 O ATOM 239 NE2 GLN A 16 2.769 4.814 -14.311 1.00 61.21 N ATOM 0 H GLN A 16 0.709 3.364 -10.708 1.00 43.11 H new ATOM 0 HA GLN A 16 3.463 4.010 -10.793 1.00 63.45 H new ATOM 0 HB2 GLN A 16 1.031 5.744 -10.207 1.00 15.04 H new ATOM 0 HB3 GLN A 16 2.645 6.369 -10.476 1.00 15.04 H new ATOM 0 HG2 GLN A 16 0.963 4.823 -12.497 1.00 34.42 H new ATOM 0 HG3 GLN A 16 1.264 6.549 -12.513 1.00 34.42 H new ATOM 0 HE21 GLN A 16 1.831 4.548 -14.611 1.00 61.21 H new ATOM 0 HE22 GLN A 16 3.566 4.660 -14.929 1.00 61.21 H new ATOM 248 N ALA A 17 2.012 4.038 -7.828 1.00 63.02 N ATOM 249 CA ALA A 17 2.239 4.035 -6.379 1.00 21.44 C ATOM 250 C ALA A 17 3.373 3.071 -5.996 1.00 63.32 C ATOM 251 O ALA A 17 4.342 3.473 -5.347 1.00 4.22 O ATOM 252 CB ALA A 17 0.950 3.668 -5.636 1.00 15.33 C ATOM 0 H ALA A 17 1.064 3.772 -8.094 1.00 63.02 H new ATOM 0 HA ALA A 17 2.539 5.040 -6.084 1.00 21.44 H new ATOM 0 HB1 ALA A 17 1.136 3.670 -4.562 1.00 15.33 H new ATOM 0 HB2 ALA A 17 0.174 4.397 -5.872 1.00 15.33 H new ATOM 0 HB3 ALA A 17 0.622 2.676 -5.945 1.00 15.33 H new ATOM 258 N THR A 18 3.244 1.803 -6.430 1.00 31.34 N ATOM 259 CA THR A 18 4.223 0.740 -6.131 1.00 43.32 C ATOM 260 C THR A 18 5.581 1.002 -6.801 1.00 20.44 C ATOM 261 O THR A 18 6.626 0.582 -6.286 1.00 74.12 O ATOM 262 CB THR A 18 3.665 -0.661 -6.539 1.00 52.22 C ATOM 263 OG1 THR A 18 3.233 -0.672 -7.912 1.00 15.10 O ATOM 264 CG2 THR A 18 2.499 -1.082 -5.643 1.00 31.30 C ATOM 0 H THR A 18 2.458 1.486 -6.998 1.00 31.34 H new ATOM 0 HA THR A 18 4.387 0.747 -5.053 1.00 43.32 H new ATOM 0 HB THR A 18 4.482 -1.372 -6.415 1.00 52.22 H new ATOM 0 HG1 THR A 18 3.380 0.212 -8.308 1.00 15.10 H new ATOM 0 HG21 THR A 18 2.135 -2.061 -5.955 1.00 31.30 H new ATOM 0 HG22 THR A 18 2.836 -1.133 -4.608 1.00 31.30 H new ATOM 0 HG23 THR A 18 1.694 -0.352 -5.727 1.00 31.30 H new ATOM 272 N ASP A 19 5.539 1.718 -7.938 1.00 13.52 N ATOM 273 CA ASP A 19 6.739 2.131 -8.682 1.00 35.14 C ATOM 274 C ASP A 19 7.596 3.104 -7.835 1.00 12.23 C ATOM 275 O ASP A 19 8.817 2.949 -7.738 1.00 13.22 O ATOM 276 CB ASP A 19 6.314 2.782 -10.027 1.00 3.04 C ATOM 277 CG ASP A 19 7.493 3.266 -10.888 1.00 61.54 C ATOM 278 OD1 ASP A 19 8.154 2.426 -11.536 1.00 63.41 O ATOM 279 OD2 ASP A 19 7.760 4.485 -10.932 1.00 65.42 O ATOM 0 H ASP A 19 4.667 2.027 -8.368 1.00 13.52 H new ATOM 0 HA ASP A 19 7.351 1.255 -8.896 1.00 35.14 H new ATOM 0 HB2 ASP A 19 5.731 2.061 -10.600 1.00 3.04 H new ATOM 0 HB3 ASP A 19 5.659 3.628 -9.818 1.00 3.04 H new ATOM 284 N MET A 20 6.923 4.080 -7.189 1.00 22.23 N ATOM 285 CA MET A 20 7.585 5.140 -6.387 1.00 11.12 C ATOM 286 C MET A 20 7.938 4.651 -4.967 1.00 11.04 C ATOM 287 O MET A 20 8.945 5.084 -4.390 1.00 44.21 O ATOM 288 CB MET A 20 6.675 6.395 -6.304 1.00 52.50 C ATOM 289 CG MET A 20 6.384 7.052 -7.660 1.00 33.23 C ATOM 290 SD MET A 20 5.217 8.423 -7.541 1.00 24.34 S ATOM 291 CE MET A 20 3.747 7.587 -6.939 1.00 24.14 C ATOM 0 H MET A 20 5.906 4.158 -7.207 1.00 22.23 H new ATOM 0 HA MET A 20 8.517 5.398 -6.890 1.00 11.12 H new ATOM 0 HB2 MET A 20 5.730 6.115 -5.839 1.00 52.50 H new ATOM 0 HB3 MET A 20 7.147 7.129 -5.651 1.00 52.50 H new ATOM 0 HG2 MET A 20 7.318 7.413 -8.091 1.00 33.23 H new ATOM 0 HG3 MET A 20 5.987 6.302 -8.344 1.00 33.23 H new ATOM 0 HE1 MET A 20 2.893 7.861 -7.559 1.00 24.14 H new ATOM 0 HE2 MET A 20 3.897 6.508 -6.984 1.00 24.14 H new ATOM 0 HE3 MET A 20 3.556 7.884 -5.908 1.00 24.14 H new ATOM 301 N GLY A 21 7.104 3.759 -4.408 1.00 24.14 N ATOM 302 CA GLY A 21 7.311 3.237 -3.055 1.00 12.43 C ATOM 303 C GLY A 21 6.001 2.877 -2.371 1.00 55.53 C ATOM 304 O GLY A 21 5.527 3.604 -1.488 1.00 2.44 O ATOM 0 H GLY A 21 6.279 3.386 -4.877 1.00 24.14 H new ATOM 0 HA2 GLY A 21 7.949 2.354 -3.102 1.00 12.43 H new ATOM 0 HA3 GLY A 21 7.839 3.980 -2.457 1.00 12.43 H new ATOM 308 N ALA A 22 5.410 1.761 -2.805 1.00 51.31 N ATOM 309 CA ALA A 22 4.214 1.174 -2.174 1.00 31.55 C ATOM 310 C ALA A 22 4.245 -0.349 -2.324 1.00 2.23 C ATOM 311 O ALA A 22 5.019 -0.897 -3.125 1.00 21.21 O ATOM 312 CB ALA A 22 2.919 1.772 -2.749 1.00 32.14 C ATOM 0 H ALA A 22 5.746 1.232 -3.609 1.00 51.31 H new ATOM 0 HA ALA A 22 4.226 1.419 -1.112 1.00 31.55 H new ATOM 0 HB1 ALA A 22 2.059 1.315 -2.260 1.00 32.14 H new ATOM 0 HB2 ALA A 22 2.906 2.848 -2.575 1.00 32.14 H new ATOM 0 HB3 ALA A 22 2.873 1.577 -3.820 1.00 32.14 H new ATOM 318 N ILE A 23 3.406 -1.023 -1.529 1.00 10.11 N ATOM 319 CA ILE A 23 3.342 -2.495 -1.465 1.00 41.44 C ATOM 320 C ILE A 23 1.877 -2.953 -1.493 1.00 3.24 C ATOM 321 O ILE A 23 0.989 -2.240 -1.013 1.00 40.34 O ATOM 322 CB ILE A 23 4.047 -3.040 -0.153 1.00 2.11 C ATOM 323 CG1 ILE A 23 3.365 -2.462 1.136 1.00 24.13 C ATOM 324 CG2 ILE A 23 5.561 -2.724 -0.161 1.00 70.11 C ATOM 325 CD1 ILE A 23 3.968 -2.903 2.465 1.00 62.21 C ATOM 0 H ILE A 23 2.745 -0.561 -0.905 1.00 10.11 H new ATOM 0 HA ILE A 23 3.869 -2.897 -2.330 1.00 41.44 H new ATOM 0 HB ILE A 23 3.929 -4.124 -0.140 1.00 2.11 H new ATOM 0 HG12 ILE A 23 3.402 -1.374 1.086 1.00 24.13 H new ATOM 0 HG13 ILE A 23 2.313 -2.746 1.125 1.00 24.13 H new ATOM 0 HG21 ILE A 23 6.018 -3.109 0.750 1.00 70.11 H new ATOM 0 HG22 ILE A 23 6.026 -3.195 -1.027 1.00 70.11 H new ATOM 0 HG23 ILE A 23 5.707 -1.645 -0.212 1.00 70.11 H new ATOM 0 HD11 ILE A 23 3.417 -2.442 3.285 1.00 62.21 H new ATOM 0 HD12 ILE A 23 3.906 -3.988 2.550 1.00 62.21 H new ATOM 0 HD13 ILE A 23 5.012 -2.594 2.511 1.00 62.21 H new ATOM 337 N TYR A 24 1.629 -4.142 -2.058 1.00 45.51 N ATOM 338 CA TYR A 24 0.317 -4.794 -1.985 1.00 1.35 C ATOM 339 C TYR A 24 0.368 -5.838 -0.866 1.00 42.23 C ATOM 340 O TYR A 24 1.168 -6.777 -0.916 1.00 42.23 O ATOM 341 CB TYR A 24 -0.059 -5.501 -3.312 1.00 44.44 C ATOM 342 CG TYR A 24 -0.197 -4.598 -4.544 1.00 72.43 C ATOM 343 CD1 TYR A 24 -1.300 -3.755 -4.708 1.00 20.41 C ATOM 344 CD2 TYR A 24 0.748 -4.632 -5.570 1.00 31.30 C ATOM 345 CE1 TYR A 24 -1.450 -2.984 -5.853 1.00 53.31 C ATOM 346 CE2 TYR A 24 0.605 -3.860 -6.702 1.00 51.20 C ATOM 347 CZ TYR A 24 -0.488 -3.041 -6.846 1.00 1.11 C ATOM 348 OH TYR A 24 -0.627 -2.292 -7.999 1.00 22.43 O ATOM 0 H TYR A 24 2.328 -4.675 -2.575 1.00 45.51 H new ATOM 0 HA TYR A 24 -0.437 -4.031 -1.792 1.00 1.35 H new ATOM 0 HB2 TYR A 24 0.697 -6.257 -3.524 1.00 44.44 H new ATOM 0 HB3 TYR A 24 -1.002 -6.027 -3.165 1.00 44.44 H new ATOM 0 HD1 TYR A 24 -2.048 -3.703 -3.931 1.00 20.41 H new ATOM 0 HD2 TYR A 24 1.609 -5.277 -5.475 1.00 31.30 H new ATOM 0 HE1 TYR A 24 -2.312 -2.344 -5.968 1.00 53.31 H new ATOM 0 HE2 TYR A 24 1.355 -3.899 -7.478 1.00 51.20 H new ATOM 0 HH TYR A 24 0.201 -1.796 -8.169 1.00 22.43 H new ATOM 358 N VAL A 25 -0.474 -5.646 0.140 1.00 42.11 N ATOM 359 CA VAL A 25 -0.706 -6.612 1.220 1.00 63.34 C ATOM 360 C VAL A 25 -2.138 -7.150 1.094 1.00 41.01 C ATOM 361 O VAL A 25 -2.797 -6.896 0.096 1.00 32.21 O ATOM 362 CB VAL A 25 -0.456 -5.981 2.647 1.00 51.31 C ATOM 363 CG1 VAL A 25 0.979 -5.415 2.761 1.00 53.50 C ATOM 364 CG2 VAL A 25 -1.516 -4.916 3.016 1.00 64.25 C ATOM 0 H VAL A 25 -1.031 -4.797 0.236 1.00 42.11 H new ATOM 0 HA VAL A 25 0.007 -7.430 1.122 1.00 63.34 H new ATOM 0 HB VAL A 25 -0.560 -6.787 3.374 1.00 51.31 H new ATOM 0 HG11 VAL A 25 1.124 -4.987 3.753 1.00 53.50 H new ATOM 0 HG12 VAL A 25 1.700 -6.217 2.603 1.00 53.50 H new ATOM 0 HG13 VAL A 25 1.126 -4.642 2.007 1.00 53.50 H new ATOM 0 HG21 VAL A 25 -1.299 -4.514 4.005 1.00 64.25 H new ATOM 0 HG22 VAL A 25 -1.492 -4.109 2.283 1.00 64.25 H new ATOM 0 HG23 VAL A 25 -2.505 -5.373 3.020 1.00 64.25 H new ATOM 374 N ASN A 26 -2.579 -7.959 2.061 1.00 43.24 N ATOM 375 CA ASN A 26 -3.997 -8.386 2.164 1.00 13.14 C ATOM 376 C ASN A 26 -4.542 -8.001 3.555 1.00 12.30 C ATOM 377 O ASN A 26 -3.894 -7.235 4.278 1.00 23.24 O ATOM 378 CB ASN A 26 -4.124 -9.905 1.885 1.00 1.41 C ATOM 379 CG ASN A 26 -3.387 -10.777 2.896 1.00 51.44 C ATOM 380 OD1 ASN A 26 -3.948 -11.197 3.895 1.00 45.31 O ATOM 381 ND2 ASN A 26 -2.116 -11.013 2.672 1.00 60.25 N ATOM 0 H ASN A 26 -1.979 -8.339 2.793 1.00 43.24 H new ATOM 0 HA ASN A 26 -4.597 -7.875 1.411 1.00 13.14 H new ATOM 0 HB2 ASN A 26 -5.179 -10.178 1.884 1.00 1.41 H new ATOM 0 HB3 ASN A 26 -3.739 -10.116 0.887 1.00 1.41 H new ATOM 0 HD21 ASN A 26 -1.573 -11.559 3.341 1.00 60.25 H new ATOM 0 HD22 ASN A 26 -1.671 -10.650 1.829 1.00 60.25 H new ATOM 388 N SER A 27 -5.731 -8.531 3.924 1.00 22.02 N ATOM 389 CA SER A 27 -6.414 -8.177 5.194 1.00 2.44 C ATOM 390 C SER A 27 -5.688 -8.736 6.450 1.00 60.14 C ATOM 391 O SER A 27 -6.068 -8.413 7.579 1.00 21.21 O ATOM 392 CB SER A 27 -7.880 -8.653 5.159 1.00 20.33 C ATOM 393 OG SER A 27 -8.609 -8.236 6.306 1.00 62.14 O ATOM 0 H SER A 27 -6.241 -9.209 3.358 1.00 22.02 H new ATOM 0 HA SER A 27 -6.385 -7.091 5.278 1.00 2.44 H new ATOM 0 HB2 SER A 27 -8.364 -8.266 4.263 1.00 20.33 H new ATOM 0 HB3 SER A 27 -7.905 -9.741 5.090 1.00 20.33 H new ATOM 0 HG SER A 27 -7.985 -8.029 7.033 1.00 62.14 H new ATOM 399 N LYS A 28 -4.660 -9.579 6.259 1.00 12.45 N ATOM 400 CA LYS A 28 -3.732 -9.959 7.347 1.00 72.10 C ATOM 401 C LYS A 28 -2.563 -8.967 7.377 1.00 41.43 C ATOM 402 O LYS A 28 -2.232 -8.413 8.421 1.00 0.05 O ATOM 403 CB LYS A 28 -3.198 -11.408 7.177 1.00 54.42 C ATOM 404 CG LYS A 28 -4.275 -12.510 7.247 1.00 11.40 C ATOM 405 CD LYS A 28 -5.110 -12.434 8.546 1.00 32.51 C ATOM 406 CE LYS A 28 -6.079 -13.610 8.706 1.00 42.53 C ATOM 407 NZ LYS A 28 -5.353 -14.895 8.863 1.00 11.23 N ATOM 0 H LYS A 28 -4.447 -10.013 5.361 1.00 12.45 H new ATOM 0 HA LYS A 28 -4.279 -9.926 8.289 1.00 72.10 H new ATOM 0 HB2 LYS A 28 -2.687 -11.481 6.217 1.00 54.42 H new ATOM 0 HB3 LYS A 28 -2.454 -11.598 7.950 1.00 54.42 H new ATOM 0 HG2 LYS A 28 -4.938 -12.422 6.386 1.00 11.40 H new ATOM 0 HG3 LYS A 28 -3.796 -13.487 7.182 1.00 11.40 H new ATOM 0 HD2 LYS A 28 -4.437 -12.406 9.403 1.00 32.51 H new ATOM 0 HD3 LYS A 28 -5.675 -11.502 8.554 1.00 32.51 H new ATOM 0 HE2 LYS A 28 -6.716 -13.442 9.574 1.00 42.53 H new ATOM 0 HE3 LYS A 28 -6.734 -13.665 7.836 1.00 42.53 H new ATOM 0 HZ1 LYS A 28 -6.021 -15.638 9.153 1.00 11.23 H new ATOM 0 HZ2 LYS A 28 -4.914 -15.159 7.958 1.00 11.23 H new ATOM 0 HZ3 LYS A 28 -4.615 -14.790 9.588 1.00 11.23 H new ATOM 421 N GLY A 29 -1.967 -8.736 6.199 1.00 40.42 N ATOM 422 CA GLY A 29 -0.839 -7.812 6.050 1.00 74.45 C ATOM 423 C GLY A 29 0.374 -8.467 5.421 1.00 23.15 C ATOM 424 O GLY A 29 1.478 -7.942 5.534 1.00 63.00 O ATOM 0 H GLY A 29 -2.253 -9.183 5.328 1.00 40.42 H new ATOM 0 HA2 GLY A 29 -1.147 -6.964 5.438 1.00 74.45 H new ATOM 0 HA3 GLY A 29 -0.567 -7.416 7.029 1.00 74.45 H new ATOM 428 N ASP A 30 0.175 -9.632 4.767 1.00 53.43 N ATOM 429 CA ASP A 30 1.244 -10.288 3.994 1.00 2.43 C ATOM 430 C ASP A 30 1.452 -9.508 2.704 1.00 50.32 C ATOM 431 O ASP A 30 0.493 -9.358 1.940 1.00 63.14 O ATOM 432 CB ASP A 30 0.888 -11.759 3.599 1.00 31.03 C ATOM 433 CG ASP A 30 0.387 -12.623 4.755 1.00 12.42 C ATOM 434 OD1 ASP A 30 -0.833 -12.605 5.038 1.00 2.01 O ATOM 435 OD2 ASP A 30 1.200 -13.321 5.388 1.00 14.04 O ATOM 0 H ASP A 30 -0.713 -10.133 4.761 1.00 53.43 H new ATOM 0 HA ASP A 30 2.135 -10.307 4.622 1.00 2.43 H new ATOM 0 HB2 ASP A 30 0.125 -11.738 2.821 1.00 31.03 H new ATOM 0 HB3 ASP A 30 1.771 -12.229 3.167 1.00 31.03 H new ATOM 440 N ARG A 31 2.676 -9.002 2.480 1.00 62.15 N ATOM 441 CA ARG A 31 3.093 -8.499 1.162 1.00 32.31 C ATOM 442 C ARG A 31 2.915 -9.622 0.128 1.00 4.24 C ATOM 443 O ARG A 31 3.724 -10.552 0.055 1.00 33.14 O ATOM 444 CB ARG A 31 4.561 -7.999 1.196 1.00 24.23 C ATOM 445 CG ARG A 31 4.750 -6.571 1.756 1.00 74.41 C ATOM 446 CD ARG A 31 6.235 -6.234 2.002 1.00 35.03 C ATOM 447 NE ARG A 31 7.087 -6.743 0.913 1.00 3.42 N ATOM 448 CZ ARG A 31 7.869 -6.020 0.122 1.00 63.30 C ATOM 449 NH1 ARG A 31 7.960 -4.709 0.262 1.00 33.05 N ATOM 450 NH2 ARG A 31 8.564 -6.619 -0.830 1.00 12.32 N ATOM 0 H ARG A 31 3.396 -8.931 3.199 1.00 62.15 H new ATOM 0 HA ARG A 31 2.472 -7.647 0.884 1.00 32.31 H new ATOM 0 HB2 ARG A 31 5.151 -8.690 1.798 1.00 24.23 H new ATOM 0 HB3 ARG A 31 4.964 -8.033 0.184 1.00 24.23 H new ATOM 0 HG2 ARG A 31 4.326 -5.849 1.057 1.00 74.41 H new ATOM 0 HG3 ARG A 31 4.197 -6.473 2.690 1.00 74.41 H new ATOM 0 HD2 ARG A 31 6.356 -5.154 2.087 1.00 35.03 H new ATOM 0 HD3 ARG A 31 6.556 -6.666 2.950 1.00 35.03 H new ATOM 0 HE ARG A 31 7.074 -7.750 0.751 1.00 3.42 H new ATOM 0 HH11 ARG A 31 7.423 -4.235 0.988 1.00 33.05 H new ATOM 0 HH12 ARG A 31 8.567 -4.171 -0.356 1.00 33.05 H new ATOM 0 HH21 ARG A 31 8.496 -7.629 -0.952 1.00 12.32 H new ATOM 0 HH22 ARG A 31 9.168 -6.071 -1.443 1.00 12.32 H new ATOM 464 N ILE A 32 1.785 -9.564 -0.593 1.00 42.14 N ATOM 465 CA ILE A 32 1.438 -10.547 -1.627 1.00 32.31 C ATOM 466 C ILE A 32 2.332 -10.340 -2.870 1.00 33.13 C ATOM 467 O ILE A 32 2.663 -11.297 -3.582 1.00 71.22 O ATOM 468 CB ILE A 32 -0.098 -10.474 -1.992 1.00 75.25 C ATOM 469 CG1 ILE A 32 -0.471 -9.155 -2.744 1.00 14.52 C ATOM 470 CG2 ILE A 32 -0.971 -10.640 -0.721 1.00 33.35 C ATOM 471 CD1 ILE A 32 -1.922 -9.064 -3.204 1.00 72.55 C ATOM 0 H ILE A 32 1.085 -8.832 -0.474 1.00 42.14 H new ATOM 0 HA ILE A 32 1.623 -11.548 -1.237 1.00 32.31 H new ATOM 0 HB ILE A 32 -0.302 -11.300 -2.673 1.00 75.25 H new ATOM 0 HG12 ILE A 32 -0.259 -8.309 -2.090 1.00 14.52 H new ATOM 0 HG13 ILE A 32 0.177 -9.055 -3.614 1.00 14.52 H new ATOM 0 HG21 ILE A 32 -2.025 -10.587 -0.994 1.00 33.35 H new ATOM 0 HG22 ILE A 32 -0.764 -11.606 -0.261 1.00 33.35 H new ATOM 0 HG23 ILE A 32 -0.739 -9.844 -0.014 1.00 33.35 H new ATOM 0 HD11 ILE A 32 -2.083 -8.114 -3.715 1.00 72.55 H new ATOM 0 HD12 ILE A 32 -2.139 -9.885 -3.887 1.00 72.55 H new ATOM 0 HD13 ILE A 32 -2.583 -9.128 -2.339 1.00 72.55 H new ATOM 483 N VAL A 33 2.716 -9.065 -3.078 1.00 21.20 N ATOM 484 CA VAL A 33 3.695 -8.628 -4.076 1.00 12.52 C ATOM 485 C VAL A 33 4.043 -7.149 -3.788 1.00 12.43 C ATOM 486 O VAL A 33 3.166 -6.367 -3.404 1.00 42.01 O ATOM 487 CB VAL A 33 3.194 -8.827 -5.562 1.00 53.15 C ATOM 488 CG1 VAL A 33 1.865 -8.087 -5.834 1.00 30.32 C ATOM 489 CG2 VAL A 33 4.294 -8.442 -6.580 1.00 41.31 C ATOM 0 H VAL A 33 2.337 -8.290 -2.534 1.00 21.20 H new ATOM 0 HA VAL A 33 4.585 -9.251 -3.991 1.00 12.52 H new ATOM 0 HB VAL A 33 2.985 -9.889 -5.694 1.00 53.15 H new ATOM 0 HG11 VAL A 33 1.561 -8.253 -6.867 1.00 30.32 H new ATOM 0 HG12 VAL A 33 1.094 -8.466 -5.163 1.00 30.32 H new ATOM 0 HG13 VAL A 33 2.002 -7.019 -5.663 1.00 30.32 H new ATOM 0 HG21 VAL A 33 3.920 -8.589 -7.593 1.00 41.31 H new ATOM 0 HG22 VAL A 33 4.567 -7.396 -6.443 1.00 41.31 H new ATOM 0 HG23 VAL A 33 5.171 -9.069 -6.422 1.00 41.31 H new ATOM 499 N ASN A 34 5.331 -6.784 -3.911 1.00 31.20 N ATOM 500 CA ASN A 34 5.790 -5.395 -3.697 1.00 23.31 C ATOM 501 C ASN A 34 5.316 -4.527 -4.873 1.00 60.40 C ATOM 502 O ASN A 34 4.479 -3.631 -4.716 1.00 24.21 O ATOM 503 CB ASN A 34 7.347 -5.352 -3.573 1.00 4.45 C ATOM 504 CG ASN A 34 7.960 -4.035 -3.022 1.00 44.32 C ATOM 505 OD1 ASN A 34 9.016 -4.070 -2.387 1.00 12.22 O ATOM 506 ND2 ASN A 34 7.333 -2.877 -3.230 1.00 53.21 N ATOM 0 H ASN A 34 6.078 -7.433 -4.159 1.00 31.20 H new ATOM 0 HA ASN A 34 5.368 -5.007 -2.770 1.00 23.31 H new ATOM 0 HB2 ASN A 34 7.661 -6.172 -2.927 1.00 4.45 H new ATOM 0 HB3 ASN A 34 7.774 -5.541 -4.558 1.00 4.45 H new ATOM 0 HD21 ASN A 34 7.727 -2.011 -2.863 1.00 53.21 H new ATOM 0 HD22 ASN A 34 6.460 -2.857 -3.757 1.00 53.21 H new ATOM 513 N GLU A 35 5.875 -4.837 -6.047 1.00 54.42 N ATOM 514 CA GLU A 35 5.678 -4.078 -7.286 1.00 24.13 C ATOM 515 C GLU A 35 5.991 -4.978 -8.494 1.00 73.22 C ATOM 516 O GLU A 35 6.319 -6.154 -8.307 1.00 60.20 O ATOM 517 CB GLU A 35 6.550 -2.777 -7.255 1.00 1.42 C ATOM 518 CG GLU A 35 8.018 -2.939 -6.791 1.00 31.51 C ATOM 519 CD GLU A 35 8.872 -3.807 -7.716 1.00 25.43 C ATOM 520 OE1 GLU A 35 9.181 -3.349 -8.833 1.00 13.21 O ATOM 521 OE2 GLU A 35 9.201 -4.965 -7.358 1.00 10.13 O ATOM 0 H GLU A 35 6.491 -5.641 -6.165 1.00 54.42 H new ATOM 0 HA GLU A 35 4.639 -3.762 -7.379 1.00 24.13 H new ATOM 0 HB2 GLU A 35 6.554 -2.346 -8.256 1.00 1.42 H new ATOM 0 HB3 GLU A 35 6.063 -2.056 -6.599 1.00 1.42 H new ATOM 0 HG2 GLU A 35 8.474 -1.952 -6.713 1.00 31.51 H new ATOM 0 HG3 GLU A 35 8.026 -3.374 -5.792 1.00 31.51 H new ATOM 528 N SER A 36 5.896 -4.404 -9.719 1.00 52.31 N ATOM 529 CA SER A 36 6.163 -5.113 -10.996 1.00 22.51 C ATOM 530 C SER A 36 5.359 -6.429 -11.076 1.00 62.42 C ATOM 531 O SER A 36 5.911 -7.534 -10.953 1.00 20.30 O ATOM 532 CB SER A 36 7.684 -5.360 -11.196 1.00 30.03 C ATOM 533 OG SER A 36 7.951 -5.990 -12.442 1.00 71.24 O ATOM 0 H SER A 36 5.630 -3.428 -9.850 1.00 52.31 H new ATOM 0 HA SER A 36 5.829 -4.472 -11.812 1.00 22.51 H new ATOM 0 HB2 SER A 36 8.217 -4.411 -11.146 1.00 30.03 H new ATOM 0 HB3 SER A 36 8.062 -5.982 -10.385 1.00 30.03 H new ATOM 0 HG SER A 36 8.916 -6.130 -12.538 1.00 71.24 H new ATOM 539 N ASN A 37 4.042 -6.287 -11.227 1.00 20.01 N ATOM 540 CA ASN A 37 3.095 -7.406 -11.160 1.00 70.33 C ATOM 541 C ASN A 37 1.986 -7.211 -12.198 1.00 52.23 C ATOM 542 O ASN A 37 1.381 -6.140 -12.291 1.00 41.13 O ATOM 543 CB ASN A 37 2.509 -7.523 -9.728 1.00 63.22 C ATOM 544 CG ASN A 37 1.798 -6.257 -9.247 1.00 31.14 C ATOM 545 OD1 ASN A 37 0.572 -6.147 -9.302 1.00 14.43 O ATOM 546 ND2 ASN A 37 2.579 -5.273 -8.834 1.00 42.52 N ATOM 0 H ASN A 37 3.597 -5.386 -11.401 1.00 20.01 H new ATOM 0 HA ASN A 37 3.616 -8.336 -11.388 1.00 70.33 H new ATOM 0 HB2 ASN A 37 1.807 -8.356 -9.700 1.00 63.22 H new ATOM 0 HB3 ASN A 37 3.315 -7.762 -9.034 1.00 63.22 H new ATOM 0 HD21 ASN A 37 2.170 -4.384 -8.547 1.00 42.52 H new ATOM 0 HD22 ASN A 37 3.590 -5.403 -8.803 1.00 42.52 H new ATOM 553 N VAL A 38 1.770 -8.250 -13.003 1.00 23.24 N ATOM 554 CA VAL A 38 0.638 -8.334 -13.939 1.00 0.41 C ATOM 555 C VAL A 38 -0.637 -8.727 -13.147 1.00 22.50 C ATOM 556 O VAL A 38 -0.527 -9.167 -11.991 1.00 52.44 O ATOM 557 CB VAL A 38 0.978 -9.381 -15.071 1.00 3.54 C ATOM 558 CG1 VAL A 38 1.197 -10.791 -14.484 1.00 74.43 C ATOM 559 CG2 VAL A 38 -0.076 -9.397 -16.204 1.00 52.55 C ATOM 0 H VAL A 38 2.379 -9.068 -13.028 1.00 23.24 H new ATOM 0 HA VAL A 38 0.456 -7.373 -14.420 1.00 0.41 H new ATOM 0 HB VAL A 38 1.915 -9.057 -15.524 1.00 3.54 H new ATOM 0 HG11 VAL A 38 1.429 -11.488 -15.289 1.00 74.43 H new ATOM 0 HG12 VAL A 38 2.025 -10.766 -13.776 1.00 74.43 H new ATOM 0 HG13 VAL A 38 0.292 -11.117 -13.972 1.00 74.43 H new ATOM 0 HG21 VAL A 38 0.208 -10.135 -16.955 1.00 52.55 H new ATOM 0 HG22 VAL A 38 -1.051 -9.657 -15.791 1.00 52.55 H new ATOM 0 HG23 VAL A 38 -0.129 -8.411 -16.666 1.00 52.55 H new ATOM 569 N TYR A 39 -1.832 -8.564 -13.762 1.00 64.41 N ATOM 570 CA TYR A 39 -3.126 -8.958 -13.149 1.00 4.31 C ATOM 571 C TYR A 39 -3.106 -10.422 -12.671 1.00 33.22 C ATOM 572 O TYR A 39 -3.720 -10.747 -11.674 1.00 25.53 O ATOM 573 CB TYR A 39 -4.311 -8.732 -14.141 1.00 4.21 C ATOM 574 CG TYR A 39 -4.262 -9.605 -15.417 1.00 20.24 C ATOM 575 CD1 TYR A 39 -4.822 -10.891 -15.446 1.00 20.31 C ATOM 576 CD2 TYR A 39 -3.633 -9.152 -16.579 1.00 14.31 C ATOM 577 CE1 TYR A 39 -4.749 -11.681 -16.572 1.00 64.34 C ATOM 578 CE2 TYR A 39 -3.564 -9.941 -17.711 1.00 40.31 C ATOM 579 CZ TYR A 39 -4.120 -11.202 -17.700 1.00 20.11 C ATOM 580 OH TYR A 39 -4.045 -11.991 -18.825 1.00 43.54 O ATOM 0 H TYR A 39 -1.928 -8.158 -14.693 1.00 64.41 H new ATOM 0 HA TYR A 39 -3.274 -8.320 -12.278 1.00 4.31 H new ATOM 0 HB2 TYR A 39 -5.247 -8.929 -13.618 1.00 4.21 H new ATOM 0 HB3 TYR A 39 -4.325 -7.683 -14.436 1.00 4.21 H new ATOM 0 HD1 TYR A 39 -5.321 -11.270 -14.566 1.00 20.31 H new ATOM 0 HD2 TYR A 39 -3.192 -8.166 -16.593 1.00 14.31 H new ATOM 0 HE1 TYR A 39 -5.182 -12.670 -16.570 1.00 64.34 H new ATOM 0 HE2 TYR A 39 -3.076 -9.571 -18.601 1.00 40.31 H new ATOM 0 HH TYR A 39 -3.571 -11.507 -19.533 1.00 43.54 H new ATOM 590 N THR A 40 -2.362 -11.275 -13.407 1.00 21.33 N ATOM 591 CA THR A 40 -2.217 -12.700 -13.107 1.00 61.22 C ATOM 592 C THR A 40 -1.527 -12.906 -11.739 1.00 4.24 C ATOM 593 O THR A 40 -2.009 -13.675 -10.914 1.00 70.14 O ATOM 594 CB THR A 40 -1.392 -13.408 -14.232 1.00 4.44 C ATOM 595 OG1 THR A 40 -1.859 -12.979 -15.526 1.00 45.13 O ATOM 596 CG2 THR A 40 -1.477 -14.940 -14.135 1.00 34.21 C ATOM 0 H THR A 40 -1.842 -10.982 -14.234 1.00 21.33 H new ATOM 0 HA THR A 40 -3.213 -13.142 -13.062 1.00 61.22 H new ATOM 0 HB THR A 40 -0.348 -13.124 -14.099 1.00 4.44 H new ATOM 0 HG1 THR A 40 -2.789 -12.677 -15.455 1.00 45.13 H new ATOM 0 HG21 THR A 40 -0.889 -15.388 -14.936 1.00 34.21 H new ATOM 0 HG22 THR A 40 -1.085 -15.266 -13.171 1.00 34.21 H new ATOM 0 HG23 THR A 40 -2.517 -15.253 -14.229 1.00 34.21 H new ATOM 604 N THR A 41 -0.411 -12.173 -11.515 1.00 61.30 N ATOM 605 CA THR A 41 0.355 -12.222 -10.254 1.00 13.14 C ATOM 606 C THR A 41 -0.503 -11.729 -9.079 1.00 13.10 C ATOM 607 O THR A 41 -0.620 -12.412 -8.064 1.00 41.53 O ATOM 608 CB THR A 41 1.658 -11.355 -10.336 1.00 43.13 C ATOM 609 OG1 THR A 41 2.455 -11.770 -11.453 1.00 54.34 O ATOM 610 CG2 THR A 41 2.505 -11.442 -9.047 1.00 51.14 C ATOM 0 H THR A 41 -0.019 -11.532 -12.205 1.00 61.30 H new ATOM 0 HA THR A 41 0.637 -13.262 -10.092 1.00 13.14 H new ATOM 0 HB THR A 41 1.344 -10.319 -10.460 1.00 43.13 H new ATOM 0 HG1 THR A 41 3.266 -11.222 -11.498 1.00 54.34 H new ATOM 0 HG21 THR A 41 3.396 -10.824 -9.155 1.00 51.14 H new ATOM 0 HG22 THR A 41 1.917 -11.087 -8.201 1.00 51.14 H new ATOM 0 HG23 THR A 41 2.800 -12.477 -8.875 1.00 51.14 H new ATOM 618 N PHE A 42 -1.120 -10.551 -9.276 1.00 52.35 N ATOM 619 CA PHE A 42 -1.939 -9.870 -8.262 1.00 51.42 C ATOM 620 C PHE A 42 -3.153 -10.735 -7.855 1.00 73.13 C ATOM 621 O PHE A 42 -3.447 -10.882 -6.663 1.00 54.05 O ATOM 622 CB PHE A 42 -2.400 -8.498 -8.828 1.00 71.11 C ATOM 623 CG PHE A 42 -3.269 -7.671 -7.878 1.00 33.01 C ATOM 624 CD1 PHE A 42 -2.722 -7.120 -6.719 1.00 71.41 C ATOM 625 CD2 PHE A 42 -4.629 -7.450 -8.137 1.00 70.34 C ATOM 626 CE1 PHE A 42 -3.499 -6.376 -5.855 1.00 33.42 C ATOM 627 CE2 PHE A 42 -5.403 -6.701 -7.268 1.00 63.10 C ATOM 628 CZ PHE A 42 -4.837 -6.169 -6.128 1.00 32.22 C ATOM 0 H PHE A 42 -1.062 -10.039 -10.157 1.00 52.35 H new ATOM 0 HA PHE A 42 -1.342 -9.711 -7.364 1.00 51.42 H new ATOM 0 HB2 PHE A 42 -1.518 -7.915 -9.091 1.00 71.11 H new ATOM 0 HB3 PHE A 42 -2.956 -8.669 -9.750 1.00 71.11 H new ATOM 0 HD1 PHE A 42 -1.677 -7.278 -6.495 1.00 71.41 H new ATOM 0 HD2 PHE A 42 -5.078 -7.869 -9.025 1.00 70.34 H new ATOM 0 HE1 PHE A 42 -3.060 -5.954 -4.963 1.00 33.42 H new ATOM 0 HE2 PHE A 42 -6.448 -6.533 -7.482 1.00 63.10 H new ATOM 0 HZ PHE A 42 -5.442 -5.589 -5.447 1.00 32.22 H new ATOM 638 N ARG A 43 -3.817 -11.330 -8.867 1.00 65.22 N ATOM 639 CA ARG A 43 -5.021 -12.158 -8.677 1.00 1.11 C ATOM 640 C ARG A 43 -4.666 -13.439 -7.916 1.00 42.13 C ATOM 641 O ARG A 43 -5.208 -13.674 -6.841 1.00 62.04 O ATOM 642 CB ARG A 43 -5.673 -12.510 -10.043 1.00 12.41 C ATOM 643 CG ARG A 43 -6.989 -13.317 -9.952 1.00 33.14 C ATOM 644 CD ARG A 43 -7.589 -13.625 -11.335 1.00 35.20 C ATOM 645 NE ARG A 43 -6.715 -14.486 -12.149 1.00 41.52 N ATOM 646 CZ ARG A 43 -6.375 -14.267 -13.434 1.00 40.21 C ATOM 647 NH1 ARG A 43 -6.811 -13.191 -14.096 1.00 11.22 N ATOM 648 NH2 ARG A 43 -5.615 -15.148 -14.058 1.00 24.23 N ATOM 0 H ARG A 43 -3.530 -11.248 -9.842 1.00 65.22 H new ATOM 0 HA ARG A 43 -5.741 -11.585 -8.092 1.00 1.11 H new ATOM 0 HB2 ARG A 43 -5.869 -11.584 -10.584 1.00 12.41 H new ATOM 0 HB3 ARG A 43 -4.956 -13.079 -10.635 1.00 12.41 H new ATOM 0 HG2 ARG A 43 -6.802 -14.252 -9.424 1.00 33.14 H new ATOM 0 HG3 ARG A 43 -7.714 -12.757 -9.361 1.00 33.14 H new ATOM 0 HD2 ARG A 43 -8.556 -14.111 -11.208 1.00 35.20 H new ATOM 0 HD3 ARG A 43 -7.769 -12.690 -11.866 1.00 35.20 H new ATOM 0 HE ARG A 43 -6.334 -15.320 -11.702 1.00 41.52 H new ATOM 0 HH11 ARG A 43 -7.414 -12.514 -13.629 1.00 11.22 H new ATOM 0 HH12 ARG A 43 -6.540 -13.046 -15.069 1.00 11.22 H new ATOM 0 HH21 ARG A 43 -5.293 -15.982 -13.567 1.00 24.23 H new ATOM 0 HH22 ARG A 43 -5.350 -14.995 -15.031 1.00 24.23 H new ATOM 662 N ASN A 44 -3.713 -14.225 -8.472 1.00 44.25 N ATOM 663 CA ASN A 44 -3.272 -15.528 -7.904 1.00 51.44 C ATOM 664 C ASN A 44 -2.729 -15.374 -6.475 1.00 22.11 C ATOM 665 O ASN A 44 -2.885 -16.280 -5.638 1.00 34.15 O ATOM 666 CB ASN A 44 -2.199 -16.198 -8.812 1.00 5.24 C ATOM 667 CG ASN A 44 -2.740 -16.648 -10.179 1.00 20.14 C ATOM 668 OD1 ASN A 44 -3.910 -17.001 -10.317 1.00 50.32 O ATOM 669 ND2 ASN A 44 -1.891 -16.648 -11.194 1.00 42.12 N ATOM 0 H ASN A 44 -3.224 -13.974 -9.332 1.00 44.25 H new ATOM 0 HA ASN A 44 -4.151 -16.171 -7.863 1.00 51.44 H new ATOM 0 HB2 ASN A 44 -1.379 -15.497 -8.969 1.00 5.24 H new ATOM 0 HB3 ASN A 44 -1.785 -17.062 -8.293 1.00 5.24 H new ATOM 0 HD21 ASN A 44 -2.202 -16.946 -12.119 1.00 42.12 H new ATOM 0 HD22 ASN A 44 -0.926 -16.350 -11.052 1.00 42.12 H new ATOM 676 N ALA A 45 -2.104 -14.217 -6.211 1.00 31.45 N ATOM 677 CA ALA A 45 -1.591 -13.869 -4.885 1.00 21.54 C ATOM 678 C ALA A 45 -2.742 -13.773 -3.863 1.00 15.35 C ATOM 679 O ALA A 45 -2.650 -14.349 -2.783 1.00 42.01 O ATOM 680 CB ALA A 45 -0.795 -12.565 -4.954 1.00 63.42 C ATOM 0 H ALA A 45 -1.942 -13.497 -6.915 1.00 31.45 H new ATOM 0 HA ALA A 45 -0.919 -14.659 -4.549 1.00 21.54 H new ATOM 0 HB1 ALA A 45 -0.418 -12.316 -3.962 1.00 63.42 H new ATOM 0 HB2 ALA A 45 0.043 -12.686 -5.641 1.00 63.42 H new ATOM 0 HB3 ALA A 45 -1.442 -11.762 -5.309 1.00 63.42 H new ATOM 686 N ILE A 46 -3.837 -13.079 -4.260 1.00 43.54 N ATOM 687 CA ILE A 46 -5.073 -12.947 -3.448 1.00 24.53 C ATOM 688 C ILE A 46 -5.797 -14.311 -3.305 1.00 43.41 C ATOM 689 O ILE A 46 -6.310 -14.637 -2.225 1.00 32.31 O ATOM 690 CB ILE A 46 -6.065 -11.885 -4.075 1.00 15.43 C ATOM 691 CG1 ILE A 46 -5.411 -10.469 -4.151 1.00 63.41 C ATOM 692 CG2 ILE A 46 -7.396 -11.822 -3.289 1.00 1.31 C ATOM 693 CD1 ILE A 46 -6.281 -9.401 -4.805 1.00 25.13 C ATOM 0 H ILE A 46 -3.888 -12.593 -5.155 1.00 43.54 H new ATOM 0 HA ILE A 46 -4.770 -12.602 -2.460 1.00 24.53 H new ATOM 0 HB ILE A 46 -6.285 -12.213 -5.091 1.00 15.43 H new ATOM 0 HG12 ILE A 46 -5.159 -10.145 -3.141 1.00 63.41 H new ATOM 0 HG13 ILE A 46 -4.475 -10.545 -4.704 1.00 63.41 H new ATOM 0 HG21 ILE A 46 -8.054 -11.083 -3.746 1.00 1.31 H new ATOM 0 HG22 ILE A 46 -7.878 -12.799 -3.310 1.00 1.31 H new ATOM 0 HG23 ILE A 46 -7.195 -11.539 -2.256 1.00 1.31 H new ATOM 0 HD11 ILE A 46 -5.746 -8.451 -4.814 1.00 25.13 H new ATOM 0 HD12 ILE A 46 -6.512 -9.697 -5.828 1.00 25.13 H new ATOM 0 HD13 ILE A 46 -7.207 -9.291 -4.241 1.00 25.13 H new ATOM 705 N LEU A 47 -5.812 -15.105 -4.405 1.00 65.12 N ATOM 706 CA LEU A 47 -6.453 -16.441 -4.432 1.00 2.13 C ATOM 707 C LEU A 47 -5.776 -17.381 -3.411 1.00 2.15 C ATOM 708 O LEU A 47 -6.416 -18.263 -2.841 1.00 31.42 O ATOM 709 CB LEU A 47 -6.369 -17.098 -5.847 1.00 21.53 C ATOM 710 CG LEU A 47 -6.924 -16.287 -7.063 1.00 20.51 C ATOM 711 CD1 LEU A 47 -6.771 -17.076 -8.381 1.00 61.11 C ATOM 712 CD2 LEU A 47 -8.376 -15.842 -6.846 1.00 62.52 C ATOM 0 H LEU A 47 -5.383 -14.838 -5.291 1.00 65.12 H new ATOM 0 HA LEU A 47 -7.502 -16.296 -4.175 1.00 2.13 H new ATOM 0 HB2 LEU A 47 -5.323 -17.328 -6.048 1.00 21.53 H new ATOM 0 HB3 LEU A 47 -6.902 -18.048 -5.807 1.00 21.53 H new ATOM 0 HG LEU A 47 -6.322 -15.382 -7.143 1.00 20.51 H new ATOM 0 HD11 LEU A 47 -7.166 -16.485 -9.207 1.00 61.11 H new ATOM 0 HD12 LEU A 47 -5.716 -17.287 -8.558 1.00 61.11 H new ATOM 0 HD13 LEU A 47 -7.322 -18.014 -8.310 1.00 61.11 H new ATOM 0 HD21 LEU A 47 -8.719 -15.282 -7.716 1.00 62.52 H new ATOM 0 HD22 LEU A 47 -9.008 -16.719 -6.706 1.00 62.52 H new ATOM 0 HD23 LEU A 47 -8.434 -15.208 -5.961 1.00 62.52 H new ATOM 724 N LYS A 48 -4.461 -17.170 -3.217 1.00 53.24 N ATOM 725 CA LYS A 48 -3.627 -17.956 -2.291 1.00 62.32 C ATOM 726 C LYS A 48 -3.874 -17.557 -0.816 1.00 34.50 C ATOM 727 O LYS A 48 -3.665 -18.370 0.088 1.00 43.15 O ATOM 728 CB LYS A 48 -2.131 -17.761 -2.669 1.00 62.12 C ATOM 729 CG LYS A 48 -1.130 -18.673 -1.912 1.00 54.02 C ATOM 730 CD LYS A 48 0.334 -18.455 -2.364 1.00 55.33 C ATOM 731 CE LYS A 48 0.869 -17.049 -2.027 1.00 0.44 C ATOM 732 NZ LYS A 48 1.015 -16.839 -0.559 1.00 31.14 N ATOM 0 H LYS A 48 -3.942 -16.440 -3.705 1.00 53.24 H new ATOM 0 HA LYS A 48 -3.898 -19.008 -2.384 1.00 62.32 H new ATOM 0 HB2 LYS A 48 -2.018 -17.936 -3.739 1.00 62.12 H new ATOM 0 HB3 LYS A 48 -1.860 -16.721 -2.485 1.00 62.12 H new ATOM 0 HG2 LYS A 48 -1.208 -18.482 -0.842 1.00 54.02 H new ATOM 0 HG3 LYS A 48 -1.404 -19.716 -2.070 1.00 54.02 H new ATOM 0 HD2 LYS A 48 0.970 -19.202 -1.889 1.00 55.33 H new ATOM 0 HD3 LYS A 48 0.403 -18.615 -3.440 1.00 55.33 H new ATOM 0 HE2 LYS A 48 1.835 -16.904 -2.511 1.00 0.44 H new ATOM 0 HE3 LYS A 48 0.193 -16.298 -2.434 1.00 0.44 H new ATOM 0 HZ1 LYS A 48 1.409 -15.893 -0.381 1.00 31.14 H new ATOM 0 HZ2 LYS A 48 0.084 -16.917 -0.103 1.00 31.14 H new ATOM 0 HZ3 LYS A 48 1.654 -17.560 -0.167 1.00 31.14 H new ATOM 785 N LYS A 52 -9.909 -12.428 0.571 1.00 20.21 N ATOM 786 CA LYS A 52 -10.185 -12.290 -0.870 1.00 12.45 C ATOM 787 C LYS A 52 -10.157 -10.807 -1.317 1.00 71.12 C ATOM 788 O LYS A 52 -10.730 -10.444 -2.354 1.00 45.11 O ATOM 789 CB LYS A 52 -11.543 -12.984 -1.197 1.00 40.15 C ATOM 790 CG LYS A 52 -11.737 -13.381 -2.675 1.00 62.20 C ATOM 791 CD LYS A 52 -10.618 -14.317 -3.179 1.00 10.43 C ATOM 792 CE LYS A 52 -10.895 -14.843 -4.584 1.00 53.25 C ATOM 793 NZ LYS A 52 -12.164 -15.616 -4.645 1.00 44.32 N ATOM 0 HA LYS A 52 -9.397 -12.786 -1.438 1.00 12.45 H new ATOM 0 HB2 LYS A 52 -11.633 -13.879 -0.582 1.00 40.15 H new ATOM 0 HB3 LYS A 52 -12.354 -12.316 -0.907 1.00 40.15 H new ATOM 0 HG2 LYS A 52 -12.702 -13.874 -2.793 1.00 62.20 H new ATOM 0 HG3 LYS A 52 -11.761 -12.482 -3.291 1.00 62.20 H new ATOM 0 HD2 LYS A 52 -9.669 -13.781 -3.174 1.00 10.43 H new ATOM 0 HD3 LYS A 52 -10.513 -15.157 -2.493 1.00 10.43 H new ATOM 0 HE2 LYS A 52 -10.945 -14.007 -5.282 1.00 53.25 H new ATOM 0 HE3 LYS A 52 -10.068 -15.477 -4.904 1.00 53.25 H new ATOM 0 HZ1 LYS A 52 -12.202 -16.151 -5.536 1.00 44.32 H new ATOM 0 HZ2 LYS A 52 -12.207 -16.277 -3.843 1.00 44.32 H new ATOM 0 HZ3 LYS A 52 -12.971 -14.962 -4.599 1.00 44.32 H new ATOM 807 N VAL A 53 -9.443 -9.958 -0.562 1.00 63.14 N ATOM 808 CA VAL A 53 -9.152 -8.569 -0.976 1.00 33.33 C ATOM 809 C VAL A 53 -7.723 -8.179 -0.559 1.00 12.54 C ATOM 810 O VAL A 53 -7.209 -8.640 0.475 1.00 14.10 O ATOM 811 CB VAL A 53 -10.211 -7.537 -0.410 1.00 11.40 C ATOM 812 CG1 VAL A 53 -10.277 -7.531 1.123 1.00 5.33 C ATOM 813 CG2 VAL A 53 -9.969 -6.103 -0.934 1.00 13.24 C ATOM 0 H VAL A 53 -9.052 -10.208 0.346 1.00 63.14 H new ATOM 0 HA VAL A 53 -9.227 -8.528 -2.063 1.00 33.33 H new ATOM 0 HB VAL A 53 -11.175 -7.882 -0.783 1.00 11.40 H new ATOM 0 HG11 VAL A 53 -11.020 -6.804 1.452 1.00 5.33 H new ATOM 0 HG12 VAL A 53 -10.557 -8.523 1.479 1.00 5.33 H new ATOM 0 HG13 VAL A 53 -9.302 -7.262 1.528 1.00 5.33 H new ATOM 0 HG21 VAL A 53 -10.720 -5.432 -0.518 1.00 13.24 H new ATOM 0 HG22 VAL A 53 -8.977 -5.768 -0.632 1.00 13.24 H new ATOM 0 HG23 VAL A 53 -10.039 -6.096 -2.022 1.00 13.24 H new ATOM 823 N ALA A 54 -7.094 -7.333 -1.384 1.00 4.44 N ATOM 824 CA ALA A 54 -5.760 -6.794 -1.128 1.00 32.22 C ATOM 825 C ALA A 54 -5.865 -5.331 -0.677 1.00 64.45 C ATOM 826 O ALA A 54 -6.934 -4.718 -0.742 1.00 44.33 O ATOM 827 CB ALA A 54 -4.893 -6.915 -2.386 1.00 34.14 C ATOM 0 H ALA A 54 -7.505 -7.002 -2.257 1.00 4.44 H new ATOM 0 HA ALA A 54 -5.288 -7.368 -0.331 1.00 32.22 H new ATOM 0 HB1 ALA A 54 -3.901 -6.511 -2.185 1.00 34.14 H new ATOM 0 HB2 ALA A 54 -4.807 -7.964 -2.669 1.00 34.14 H new ATOM 0 HB3 ALA A 54 -5.354 -6.356 -3.201 1.00 34.14 H new ATOM 833 N TYR A 55 -4.747 -4.790 -0.193 1.00 72.00 N ATOM 834 CA TYR A 55 -4.661 -3.430 0.347 1.00 74.33 C ATOM 835 C TYR A 55 -3.296 -2.829 -0.010 1.00 1.10 C ATOM 836 O TYR A 55 -2.261 -3.369 0.354 1.00 41.52 O ATOM 837 CB TYR A 55 -4.870 -3.437 1.888 1.00 1.40 C ATOM 838 CG TYR A 55 -6.336 -3.587 2.348 1.00 74.22 C ATOM 839 CD1 TYR A 55 -7.151 -2.462 2.506 1.00 10.12 C ATOM 840 CD2 TYR A 55 -6.896 -4.837 2.641 1.00 11.02 C ATOM 841 CE1 TYR A 55 -8.452 -2.572 2.935 1.00 11.31 C ATOM 842 CE2 TYR A 55 -8.206 -4.949 3.068 1.00 25.23 C ATOM 843 CZ TYR A 55 -8.977 -3.810 3.213 1.00 72.53 C ATOM 844 OH TYR A 55 -10.282 -3.909 3.632 1.00 11.50 O ATOM 0 H TYR A 55 -3.860 -5.292 -0.164 1.00 72.00 H new ATOM 0 HA TYR A 55 -5.449 -2.819 -0.094 1.00 74.33 H new ATOM 0 HB2 TYR A 55 -4.286 -4.252 2.315 1.00 1.40 H new ATOM 0 HB3 TYR A 55 -4.470 -2.510 2.298 1.00 1.40 H new ATOM 0 HD1 TYR A 55 -6.749 -1.484 2.286 1.00 10.12 H new ATOM 0 HD2 TYR A 55 -6.295 -5.727 2.532 1.00 11.02 H new ATOM 0 HE1 TYR A 55 -9.060 -1.687 3.053 1.00 11.31 H new ATOM 0 HE2 TYR A 55 -8.625 -5.920 3.287 1.00 25.23 H new ATOM 0 HH TYR A 55 -10.868 -3.466 2.983 1.00 11.50 H new ATOM 854 N LEU A 56 -3.319 -1.726 -0.744 1.00 73.54 N ATOM 855 CA LEU A 56 -2.124 -0.992 -1.148 1.00 43.50 C ATOM 856 C LEU A 56 -1.658 -0.064 -0.012 1.00 44.31 C ATOM 857 O LEU A 56 -2.249 0.997 0.210 1.00 24.35 O ATOM 858 CB LEU A 56 -2.449 -0.179 -2.423 1.00 54.33 C ATOM 859 CG LEU A 56 -1.286 0.642 -3.045 1.00 44.42 C ATOM 860 CD1 LEU A 56 -0.119 -0.271 -3.451 1.00 51.44 C ATOM 861 CD2 LEU A 56 -1.792 1.474 -4.233 1.00 41.41 C ATOM 0 H LEU A 56 -4.185 -1.306 -1.083 1.00 73.54 H new ATOM 0 HA LEU A 56 -1.314 -1.690 -1.361 1.00 43.50 H new ATOM 0 HB2 LEU A 56 -2.821 -0.869 -3.180 1.00 54.33 H new ATOM 0 HB3 LEU A 56 -3.263 0.507 -2.190 1.00 54.33 H new ATOM 0 HG LEU A 56 -0.908 1.331 -2.289 1.00 44.42 H new ATOM 0 HD11 LEU A 56 0.680 0.331 -3.883 1.00 51.44 H new ATOM 0 HD12 LEU A 56 0.256 -0.795 -2.572 1.00 51.44 H new ATOM 0 HD13 LEU A 56 -0.464 -0.998 -4.186 1.00 51.44 H new ATOM 0 HD21 LEU A 56 -0.965 2.043 -4.657 1.00 41.41 H new ATOM 0 HD22 LEU A 56 -2.203 0.810 -4.993 1.00 41.41 H new ATOM 0 HD23 LEU A 56 -2.568 2.160 -3.893 1.00 41.41 H new ATOM 873 N VAL A 57 -0.618 -0.485 0.721 1.00 12.12 N ATOM 874 CA VAL A 57 -0.009 0.330 1.782 1.00 1.15 C ATOM 875 C VAL A 57 1.101 1.203 1.168 1.00 40.33 C ATOM 876 O VAL A 57 2.061 0.690 0.584 1.00 45.30 O ATOM 877 CB VAL A 57 0.571 -0.561 2.946 1.00 13.34 C ATOM 878 CG1 VAL A 57 1.236 0.298 4.053 1.00 32.20 C ATOM 879 CG2 VAL A 57 -0.530 -1.475 3.534 1.00 61.13 C ATOM 0 H VAL A 57 -0.177 -1.396 0.596 1.00 12.12 H new ATOM 0 HA VAL A 57 -0.781 0.963 2.220 1.00 1.15 H new ATOM 0 HB VAL A 57 1.350 -1.193 2.520 1.00 13.34 H new ATOM 0 HG11 VAL A 57 1.623 -0.354 4.836 1.00 32.20 H new ATOM 0 HG12 VAL A 57 2.055 0.875 3.623 1.00 32.20 H new ATOM 0 HG13 VAL A 57 0.498 0.978 4.478 1.00 32.20 H new ATOM 0 HG21 VAL A 57 -0.109 -2.082 4.336 1.00 61.13 H new ATOM 0 HG22 VAL A 57 -1.339 -0.861 3.930 1.00 61.13 H new ATOM 0 HG23 VAL A 57 -0.918 -2.127 2.751 1.00 61.13 H new ATOM 889 N MET A 58 0.933 2.521 1.290 1.00 71.30 N ATOM 890 CA MET A 58 1.878 3.529 0.790 1.00 13.14 C ATOM 891 C MET A 58 2.132 4.564 1.891 1.00 74.01 C ATOM 892 O MET A 58 1.539 4.495 2.971 1.00 53.11 O ATOM 893 CB MET A 58 1.308 4.226 -0.485 1.00 5.34 C ATOM 894 CG MET A 58 0.118 5.166 -0.236 1.00 74.43 C ATOM 895 SD MET A 58 -0.437 6.028 -1.723 1.00 2.12 S ATOM 896 CE MET A 58 -1.147 4.691 -2.674 1.00 64.31 C ATOM 0 H MET A 58 0.119 2.929 1.749 1.00 71.30 H new ATOM 0 HA MET A 58 2.816 3.044 0.521 1.00 13.14 H new ATOM 0 HB2 MET A 58 2.108 4.795 -0.958 1.00 5.34 H new ATOM 0 HB3 MET A 58 1.002 3.457 -1.194 1.00 5.34 H new ATOM 0 HG2 MET A 58 -0.712 4.589 0.172 1.00 74.43 H new ATOM 0 HG3 MET A 58 0.397 5.901 0.519 1.00 74.43 H new ATOM 0 HE1 MET A 58 -0.632 4.612 -3.631 1.00 64.31 H new ATOM 0 HE2 MET A 58 -1.038 3.756 -2.125 1.00 64.31 H new ATOM 0 HE3 MET A 58 -2.205 4.889 -2.847 1.00 64.31 H new ATOM 906 N ASP A 59 3.016 5.513 1.606 1.00 12.44 N ATOM 907 CA ASP A 59 3.218 6.708 2.443 1.00 3.31 C ATOM 908 C ASP A 59 2.510 7.903 1.770 1.00 50.21 C ATOM 909 O ASP A 59 2.112 7.808 0.601 1.00 61.23 O ATOM 910 CB ASP A 59 4.737 6.962 2.594 1.00 21.52 C ATOM 911 CG ASP A 59 5.074 8.077 3.599 1.00 64.02 C ATOM 912 OD1 ASP A 59 5.161 7.794 4.818 1.00 3.32 O ATOM 913 OD2 ASP A 59 5.243 9.233 3.170 1.00 44.54 O ATOM 0 H ASP A 59 3.620 5.483 0.785 1.00 12.44 H new ATOM 0 HA ASP A 59 2.795 6.569 3.438 1.00 3.31 H new ATOM 0 HB2 ASP A 59 5.222 6.039 2.911 1.00 21.52 H new ATOM 0 HB3 ASP A 59 5.153 7.223 1.621 1.00 21.52 H new ATOM 918 N GLU A 60 2.373 9.027 2.497 1.00 23.05 N ATOM 919 CA GLU A 60 1.714 10.232 1.978 1.00 35.13 C ATOM 920 C GLU A 60 2.542 10.887 0.853 1.00 52.31 C ATOM 921 O GLU A 60 1.972 11.526 -0.018 1.00 21.40 O ATOM 922 CB GLU A 60 1.414 11.238 3.116 1.00 2.22 C ATOM 923 CG GLU A 60 0.517 12.419 2.680 1.00 41.30 C ATOM 924 CD GLU A 60 0.130 13.363 3.824 1.00 22.55 C ATOM 925 OE1 GLU A 60 -0.859 13.078 4.533 1.00 21.34 O ATOM 926 OE2 GLU A 60 0.802 14.401 4.003 1.00 73.03 O ATOM 0 H GLU A 60 2.714 9.122 3.453 1.00 23.05 H new ATOM 0 HA GLU A 60 0.761 9.927 1.546 1.00 35.13 H new ATOM 0 HB2 GLU A 60 0.930 10.710 3.938 1.00 2.22 H new ATOM 0 HB3 GLU A 60 2.356 11.631 3.500 1.00 2.22 H new ATOM 0 HG2 GLU A 60 1.035 12.991 1.910 1.00 41.30 H new ATOM 0 HG3 GLU A 60 -0.392 12.024 2.226 1.00 41.30 H new ATOM 933 N ARG A 61 3.875 10.685 0.869 1.00 2.22 N ATOM 934 CA ARG A 61 4.780 11.087 -0.236 1.00 43.32 C ATOM 935 C ARG A 61 4.336 10.465 -1.571 1.00 2.41 C ATOM 936 O ARG A 61 4.218 11.159 -2.593 1.00 3.04 O ATOM 937 CB ARG A 61 6.241 10.646 0.080 1.00 60.42 C ATOM 938 CG ARG A 61 7.005 11.579 1.032 1.00 53.12 C ATOM 939 CD ARG A 61 7.178 12.985 0.435 1.00 44.10 C ATOM 940 NE ARG A 61 8.075 13.834 1.229 1.00 74.33 N ATOM 941 CZ ARG A 61 8.419 15.095 0.913 1.00 43.42 C ATOM 942 NH1 ARG A 61 7.948 15.689 -0.190 1.00 51.23 N ATOM 943 NH2 ARG A 61 9.260 15.748 1.697 1.00 24.13 N ATOM 0 H ARG A 61 4.359 10.238 1.648 1.00 2.22 H new ATOM 0 HA ARG A 61 4.736 12.172 -0.326 1.00 43.32 H new ATOM 0 HB2 ARG A 61 6.218 9.647 0.515 1.00 60.42 H new ATOM 0 HB3 ARG A 61 6.794 10.574 -0.856 1.00 60.42 H new ATOM 0 HG2 ARG A 61 6.470 11.649 1.979 1.00 53.12 H new ATOM 0 HG3 ARG A 61 7.985 11.153 1.250 1.00 53.12 H new ATOM 0 HD2 ARG A 61 7.570 12.899 -0.579 1.00 44.10 H new ATOM 0 HD3 ARG A 61 6.202 13.465 0.360 1.00 44.10 H new ATOM 0 HE ARG A 61 8.466 13.438 2.084 1.00 74.33 H new ATOM 0 HH11 ARG A 61 7.315 15.184 -0.810 1.00 51.23 H new ATOM 0 HH12 ARG A 61 8.222 16.646 -0.410 1.00 51.23 H new ATOM 0 HH21 ARG A 61 9.639 15.295 2.529 1.00 24.13 H new ATOM 0 HH22 ARG A 61 9.530 16.705 1.470 1.00 24.13 H new ATOM 957 N THR A 62 4.093 9.149 -1.526 1.00 41.21 N ATOM 958 CA THR A 62 3.588 8.372 -2.660 1.00 22.03 C ATOM 959 C THR A 62 2.163 8.839 -3.039 1.00 0.31 C ATOM 960 O THR A 62 1.819 8.940 -4.225 1.00 75.40 O ATOM 961 CB THR A 62 3.592 6.857 -2.283 1.00 54.14 C ATOM 962 OG1 THR A 62 4.897 6.486 -1.800 1.00 13.10 O ATOM 963 CG2 THR A 62 3.213 5.952 -3.461 1.00 14.21 C ATOM 0 H THR A 62 4.245 8.588 -0.688 1.00 41.21 H new ATOM 0 HA THR A 62 4.232 8.527 -3.525 1.00 22.03 H new ATOM 0 HB THR A 62 2.838 6.716 -1.508 1.00 54.14 H new ATOM 0 HG1 THR A 62 4.961 5.510 -1.747 1.00 13.10 H new ATOM 0 HG21 THR A 62 3.232 4.910 -3.141 1.00 14.21 H new ATOM 0 HG22 THR A 62 2.211 6.206 -3.808 1.00 14.21 H new ATOM 0 HG23 THR A 62 3.925 6.095 -4.274 1.00 14.21 H new ATOM 971 N TRP A 63 1.372 9.171 -1.999 1.00 30.35 N ATOM 972 CA TRP A 63 -0.016 9.623 -2.145 1.00 54.01 C ATOM 973 C TRP A 63 -0.114 11.016 -2.797 1.00 53.11 C ATOM 974 O TRP A 63 -1.092 11.281 -3.467 1.00 34.55 O ATOM 975 CB TRP A 63 -0.744 9.614 -0.774 1.00 14.43 C ATOM 976 CG TRP A 63 -2.149 10.179 -0.820 1.00 64.14 C ATOM 977 CD1 TRP A 63 -2.545 11.434 -0.436 1.00 44.03 C ATOM 978 CD2 TRP A 63 -3.327 9.527 -1.319 1.00 22.24 C ATOM 979 NE1 TRP A 63 -3.887 11.587 -0.657 1.00 63.25 N ATOM 980 CE2 TRP A 63 -4.389 10.434 -1.191 1.00 55.23 C ATOM 981 CE3 TRP A 63 -3.587 8.260 -1.858 1.00 74.43 C ATOM 982 CZ2 TRP A 63 -5.683 10.124 -1.576 1.00 31.33 C ATOM 983 CZ3 TRP A 63 -4.880 7.954 -2.240 1.00 73.44 C ATOM 984 CH2 TRP A 63 -5.915 8.882 -2.096 1.00 30.42 C ATOM 0 H TRP A 63 1.686 9.131 -1.029 1.00 30.35 H new ATOM 0 HA TRP A 63 -0.510 8.918 -2.814 1.00 54.01 H new ATOM 0 HB2 TRP A 63 -0.787 8.590 -0.403 1.00 14.43 H new ATOM 0 HB3 TRP A 63 -0.156 10.188 -0.058 1.00 14.43 H new ATOM 0 HD1 TRP A 63 -1.895 12.190 -0.021 1.00 44.03 H new ATOM 0 HE1 TRP A 63 -4.427 12.429 -0.455 1.00 63.25 H new ATOM 0 HE3 TRP A 63 -2.793 7.537 -1.973 1.00 74.43 H new ATOM 0 HZ2 TRP A 63 -6.483 10.841 -1.469 1.00 31.33 H new ATOM 0 HZ3 TRP A 63 -5.094 6.981 -2.657 1.00 73.44 H new ATOM 0 HH2 TRP A 63 -6.915 8.613 -2.401 1.00 30.42 H new ATOM 995 N LYS A 64 0.887 11.903 -2.604 1.00 64.53 N ATOM 996 CA LYS A 64 0.880 13.260 -3.216 1.00 5.52 C ATOM 997 C LYS A 64 0.717 13.175 -4.743 1.00 20.32 C ATOM 998 O LYS A 64 0.021 13.984 -5.361 1.00 34.23 O ATOM 999 CB LYS A 64 2.181 14.033 -2.889 1.00 63.14 C ATOM 1000 CG LYS A 64 2.446 14.272 -1.395 1.00 31.44 C ATOM 1001 CD LYS A 64 1.248 14.924 -0.666 1.00 40.22 C ATOM 1002 CE LYS A 64 1.615 15.401 0.744 1.00 70.44 C ATOM 1003 NZ LYS A 64 0.445 15.956 1.479 1.00 34.34 N ATOM 0 H LYS A 64 1.709 11.709 -2.032 1.00 64.53 H new ATOM 0 HA LYS A 64 0.032 13.797 -2.791 1.00 5.52 H new ATOM 0 HB2 LYS A 64 3.025 13.484 -3.307 1.00 63.14 H new ATOM 0 HB3 LYS A 64 2.147 14.998 -3.394 1.00 63.14 H new ATOM 0 HG2 LYS A 64 2.682 13.321 -0.917 1.00 31.44 H new ATOM 0 HG3 LYS A 64 3.323 14.910 -1.285 1.00 31.44 H new ATOM 0 HD2 LYS A 64 0.886 15.770 -1.251 1.00 40.22 H new ATOM 0 HD3 LYS A 64 0.430 14.207 -0.603 1.00 40.22 H new ATOM 0 HE2 LYS A 64 2.033 14.568 1.309 1.00 70.44 H new ATOM 0 HE3 LYS A 64 2.392 16.162 0.676 1.00 70.44 H new ATOM 0 HZ1 LYS A 64 0.406 15.542 2.432 1.00 34.34 H new ATOM 0 HZ2 LYS A 64 0.540 16.989 1.553 1.00 34.34 H new ATOM 0 HZ3 LYS A 64 -0.429 15.725 0.965 1.00 34.34 H new ATOM 1017 N LYS A 65 1.355 12.147 -5.311 1.00 12.44 N ATOM 1018 CA LYS A 65 1.303 11.850 -6.736 1.00 53.11 C ATOM 1019 C LYS A 65 -0.052 11.224 -7.102 1.00 32.31 C ATOM 1020 O LYS A 65 -0.714 11.704 -8.008 1.00 22.13 O ATOM 1021 CB LYS A 65 2.468 10.901 -7.096 1.00 73.23 C ATOM 1022 CG LYS A 65 3.869 11.436 -6.703 1.00 70.03 C ATOM 1023 CD LYS A 65 4.271 12.711 -7.474 1.00 52.01 C ATOM 1024 CE LYS A 65 4.335 12.481 -8.994 1.00 43.23 C ATOM 1025 NZ LYS A 65 4.730 13.710 -9.730 1.00 61.22 N ATOM 0 H LYS A 65 1.929 11.491 -4.781 1.00 12.44 H new ATOM 0 HA LYS A 65 1.407 12.772 -7.308 1.00 53.11 H new ATOM 0 HB2 LYS A 65 2.306 9.942 -6.603 1.00 73.23 H new ATOM 0 HB3 LYS A 65 2.451 10.714 -8.170 1.00 73.23 H new ATOM 0 HG2 LYS A 65 3.884 11.646 -5.634 1.00 70.03 H new ATOM 0 HG3 LYS A 65 4.612 10.659 -6.886 1.00 70.03 H new ATOM 0 HD2 LYS A 65 3.554 13.504 -7.259 1.00 52.01 H new ATOM 0 HD3 LYS A 65 5.243 13.055 -7.120 1.00 52.01 H new ATOM 0 HE2 LYS A 65 5.048 11.685 -9.210 1.00 43.23 H new ATOM 0 HE3 LYS A 65 3.362 12.143 -9.350 1.00 43.23 H new ATOM 0 HZ1 LYS A 65 4.760 13.509 -10.750 1.00 61.22 H new ATOM 0 HZ2 LYS A 65 4.037 14.463 -9.546 1.00 61.22 H new ATOM 0 HZ3 LYS A 65 5.670 14.019 -9.410 1.00 61.22 H new ATOM 1039 N VAL A 66 -0.463 10.184 -6.340 1.00 42.53 N ATOM 1040 CA VAL A 66 -1.716 9.421 -6.586 1.00 55.54 C ATOM 1041 C VAL A 66 -2.958 10.346 -6.558 1.00 35.52 C ATOM 1042 O VAL A 66 -3.758 10.336 -7.488 1.00 4.21 O ATOM 1043 CB VAL A 66 -1.874 8.257 -5.530 1.00 53.34 C ATOM 1044 CG1 VAL A 66 -3.217 7.505 -5.690 1.00 33.33 C ATOM 1045 CG2 VAL A 66 -0.678 7.274 -5.614 1.00 73.13 C ATOM 0 H VAL A 66 0.064 9.847 -5.534 1.00 42.53 H new ATOM 0 HA VAL A 66 -1.646 8.985 -7.582 1.00 55.54 H new ATOM 0 HB VAL A 66 -1.878 8.716 -4.541 1.00 53.34 H new ATOM 0 HG11 VAL A 66 -3.282 6.714 -4.943 1.00 33.33 H new ATOM 0 HG12 VAL A 66 -4.043 8.203 -5.552 1.00 33.33 H new ATOM 0 HG13 VAL A 66 -3.273 7.068 -6.687 1.00 33.33 H new ATOM 0 HG21 VAL A 66 -0.807 6.480 -4.878 1.00 73.13 H new ATOM 0 HG22 VAL A 66 -0.634 6.839 -6.613 1.00 73.13 H new ATOM 0 HG23 VAL A 66 0.249 7.810 -5.410 1.00 73.13 H new ATOM 1055 N TYR A 67 -3.058 11.146 -5.486 1.00 64.34 N ATOM 1056 CA TYR A 67 -4.097 12.182 -5.274 1.00 4.21 C ATOM 1057 C TYR A 67 -4.198 13.141 -6.479 1.00 45.34 C ATOM 1058 O TYR A 67 -5.304 13.458 -6.944 1.00 74.30 O ATOM 1059 CB TYR A 67 -3.742 12.973 -3.980 1.00 40.10 C ATOM 1060 CG TYR A 67 -4.696 14.119 -3.594 1.00 34.20 C ATOM 1061 CD1 TYR A 67 -5.856 13.872 -2.857 1.00 62.22 C ATOM 1062 CD2 TYR A 67 -4.432 15.448 -3.960 1.00 65.12 C ATOM 1063 CE1 TYR A 67 -6.713 14.897 -2.502 1.00 63.41 C ATOM 1064 CE2 TYR A 67 -5.288 16.474 -3.607 1.00 0.01 C ATOM 1065 CZ TYR A 67 -6.425 16.195 -2.882 1.00 34.34 C ATOM 1066 OH TYR A 67 -7.284 17.216 -2.535 1.00 40.12 O ATOM 0 H TYR A 67 -2.397 11.093 -4.711 1.00 64.34 H new ATOM 0 HA TYR A 67 -5.068 11.698 -5.169 1.00 4.21 H new ATOM 0 HB2 TYR A 67 -3.701 12.268 -3.149 1.00 40.10 H new ATOM 0 HB3 TYR A 67 -2.740 13.387 -4.097 1.00 40.10 H new ATOM 0 HD1 TYR A 67 -6.088 12.860 -2.558 1.00 62.22 H new ATOM 0 HD2 TYR A 67 -3.542 15.673 -4.529 1.00 65.12 H new ATOM 0 HE1 TYR A 67 -7.604 14.685 -1.930 1.00 63.41 H new ATOM 0 HE2 TYR A 67 -5.066 17.490 -3.898 1.00 0.01 H new ATOM 0 HH TYR A 67 -6.937 18.066 -2.877 1.00 40.12 H new ATOM 1076 N ASP A 68 -3.023 13.589 -6.964 1.00 71.13 N ATOM 1077 CA ASP A 68 -2.920 14.472 -8.142 1.00 3.22 C ATOM 1078 C ASP A 68 -3.436 13.753 -9.403 1.00 75.12 C ATOM 1079 O ASP A 68 -4.205 14.327 -10.168 1.00 74.33 O ATOM 1080 CB ASP A 68 -1.453 14.945 -8.351 1.00 61.31 C ATOM 1081 CG ASP A 68 -1.271 15.814 -9.616 1.00 21.14 C ATOM 1082 OD1 ASP A 68 -1.571 17.030 -9.566 1.00 62.01 O ATOM 1083 OD2 ASP A 68 -0.842 15.284 -10.666 1.00 72.33 O ATOM 0 H ASP A 68 -2.121 13.350 -6.551 1.00 71.13 H new ATOM 0 HA ASP A 68 -3.541 15.350 -7.964 1.00 3.22 H new ATOM 0 HB2 ASP A 68 -1.133 15.513 -7.478 1.00 61.31 H new ATOM 0 HB3 ASP A 68 -0.803 14.073 -8.420 1.00 61.31 H new ATOM 1088 N LEU A 69 -3.028 12.477 -9.568 1.00 71.24 N ATOM 1089 CA LEU A 69 -3.398 11.635 -10.724 1.00 71.34 C ATOM 1090 C LEU A 69 -4.914 11.357 -10.756 1.00 55.15 C ATOM 1091 O LEU A 69 -5.486 11.168 -11.832 1.00 51.21 O ATOM 1092 CB LEU A 69 -2.623 10.284 -10.691 1.00 12.12 C ATOM 1093 CG LEU A 69 -1.071 10.357 -10.807 1.00 72.32 C ATOM 1094 CD1 LEU A 69 -0.438 8.943 -10.740 1.00 64.14 C ATOM 1095 CD2 LEU A 69 -0.640 11.120 -12.076 1.00 70.31 C ATOM 0 H LEU A 69 -2.427 11.999 -8.896 1.00 71.24 H new ATOM 0 HA LEU A 69 -3.127 12.185 -11.625 1.00 71.34 H new ATOM 0 HB2 LEU A 69 -2.870 9.774 -9.760 1.00 12.12 H new ATOM 0 HB3 LEU A 69 -2.995 9.660 -11.504 1.00 12.12 H new ATOM 0 HG LEU A 69 -0.697 10.920 -9.952 1.00 72.32 H new ATOM 0 HD11 LEU A 69 0.646 9.025 -10.823 1.00 64.14 H new ATOM 0 HD12 LEU A 69 -0.694 8.474 -9.790 1.00 64.14 H new ATOM 0 HD13 LEU A 69 -0.820 8.334 -11.560 1.00 64.14 H new ATOM 0 HD21 LEU A 69 0.448 11.154 -12.128 1.00 70.31 H new ATOM 0 HD22 LEU A 69 -1.030 10.610 -12.957 1.00 70.31 H new ATOM 0 HD23 LEU A 69 -1.033 12.136 -12.041 1.00 70.31 H new ATOM 1107 N LEU A 70 -5.544 11.321 -9.565 1.00 35.34 N ATOM 1108 CA LEU A 70 -6.999 11.136 -9.431 1.00 13.13 C ATOM 1109 C LEU A 70 -7.733 12.336 -10.052 1.00 41.41 C ATOM 1110 O LEU A 70 -8.516 12.172 -10.991 1.00 40.55 O ATOM 1111 CB LEU A 70 -7.401 10.942 -7.934 1.00 51.23 C ATOM 1112 CG LEU A 70 -6.868 9.647 -7.241 1.00 13.02 C ATOM 1113 CD1 LEU A 70 -7.280 9.584 -5.752 1.00 52.30 C ATOM 1114 CD2 LEU A 70 -7.315 8.386 -8.008 1.00 11.11 C ATOM 0 H LEU A 70 -5.059 11.419 -8.673 1.00 35.34 H new ATOM 0 HA LEU A 70 -7.292 10.233 -9.966 1.00 13.13 H new ATOM 0 HB2 LEU A 70 -7.046 11.804 -7.369 1.00 51.23 H new ATOM 0 HB3 LEU A 70 -8.489 10.943 -7.868 1.00 51.23 H new ATOM 0 HG LEU A 70 -5.779 9.683 -7.268 1.00 13.02 H new ATOM 0 HD11 LEU A 70 -6.891 8.669 -5.305 1.00 52.30 H new ATOM 0 HD12 LEU A 70 -6.873 10.447 -5.225 1.00 52.30 H new ATOM 0 HD13 LEU A 70 -8.367 9.591 -5.675 1.00 52.30 H new ATOM 0 HD21 LEU A 70 -6.931 7.499 -7.505 1.00 11.11 H new ATOM 0 HD22 LEU A 70 -8.404 8.344 -8.036 1.00 11.11 H new ATOM 0 HD23 LEU A 70 -6.927 8.423 -9.026 1.00 11.11 H new ATOM 1126 N ILE A 71 -7.396 13.546 -9.569 1.00 11.44 N ATOM 1127 CA ILE A 71 -8.028 14.809 -10.014 1.00 2.34 C ATOM 1128 C ILE A 71 -7.655 15.129 -11.484 1.00 53.43 C ATOM 1129 O ILE A 71 -8.446 15.724 -12.225 1.00 33.23 O ATOM 1130 CB ILE A 71 -7.623 15.999 -9.056 1.00 33.41 C ATOM 1131 CG1 ILE A 71 -7.946 15.619 -7.571 1.00 63.43 C ATOM 1132 CG2 ILE A 71 -8.322 17.327 -9.459 1.00 65.33 C ATOM 1133 CD1 ILE A 71 -7.556 16.660 -6.537 1.00 32.12 C ATOM 0 H ILE A 71 -6.677 13.679 -8.858 1.00 11.44 H new ATOM 0 HA ILE A 71 -9.110 14.684 -9.965 1.00 2.34 H new ATOM 0 HB ILE A 71 -6.550 16.165 -9.153 1.00 33.41 H new ATOM 0 HG12 ILE A 71 -9.016 15.429 -7.486 1.00 63.43 H new ATOM 0 HG13 ILE A 71 -7.437 14.685 -7.333 1.00 63.43 H new ATOM 0 HG21 ILE A 71 -8.018 18.120 -8.776 1.00 65.33 H new ATOM 0 HG22 ILE A 71 -8.036 17.594 -10.476 1.00 65.33 H new ATOM 0 HG23 ILE A 71 -9.403 17.199 -9.408 1.00 65.33 H new ATOM 0 HD11 ILE A 71 -7.821 16.302 -5.542 1.00 32.12 H new ATOM 0 HD12 ILE A 71 -6.481 16.836 -6.585 1.00 32.12 H new ATOM 0 HD13 ILE A 71 -8.085 17.591 -6.740 1.00 32.12 H new ATOM 1145 N LEU A 72 -6.461 14.665 -11.902 1.00 33.22 N ATOM 1146 CA LEU A 72 -5.969 14.796 -13.289 1.00 44.42 C ATOM 1147 C LEU A 72 -6.844 13.939 -14.233 1.00 41.51 C ATOM 1148 O LEU A 72 -7.249 14.391 -15.309 1.00 44.04 O ATOM 1149 CB LEU A 72 -4.458 14.385 -13.343 1.00 64.02 C ATOM 1150 CG LEU A 72 -3.646 14.650 -14.667 1.00 64.00 C ATOM 1151 CD1 LEU A 72 -3.922 13.597 -15.769 1.00 4.44 C ATOM 1152 CD2 LEU A 72 -3.876 16.093 -15.181 1.00 11.13 C ATOM 0 H LEU A 72 -5.806 14.186 -11.284 1.00 33.22 H new ATOM 0 HA LEU A 72 -6.044 15.830 -13.625 1.00 44.42 H new ATOM 0 HB2 LEU A 72 -3.946 14.903 -12.532 1.00 64.02 H new ATOM 0 HB3 LEU A 72 -4.398 13.318 -13.127 1.00 64.02 H new ATOM 0 HG LEU A 72 -2.591 14.545 -14.413 1.00 64.00 H new ATOM 0 HD11 LEU A 72 -3.333 13.835 -16.655 1.00 4.44 H new ATOM 0 HD12 LEU A 72 -3.645 12.608 -15.404 1.00 4.44 H new ATOM 0 HD13 LEU A 72 -4.982 13.606 -16.024 1.00 4.44 H new ATOM 0 HD21 LEU A 72 -3.304 16.249 -16.096 1.00 11.13 H new ATOM 0 HD22 LEU A 72 -4.936 16.241 -15.386 1.00 11.13 H new ATOM 0 HD23 LEU A 72 -3.550 16.805 -14.423 1.00 11.13 H new ATOM 1164 N HIS A 73 -7.137 12.705 -13.801 1.00 70.23 N ATOM 1165 CA HIS A 73 -8.039 11.771 -14.513 1.00 13.11 C ATOM 1166 C HIS A 73 -9.518 12.165 -14.348 1.00 75.42 C ATOM 1167 O HIS A 73 -10.375 11.599 -15.038 1.00 21.12 O ATOM 1168 CB HIS A 73 -7.782 10.306 -14.076 1.00 43.40 C ATOM 1169 CG HIS A 73 -6.579 9.676 -14.747 1.00 41.53 C ATOM 1170 ND1 HIS A 73 -6.657 8.528 -15.506 1.00 21.05 N ATOM 1171 CD2 HIS A 73 -5.274 10.042 -14.780 1.00 20.11 C ATOM 1172 CE1 HIS A 73 -5.468 8.224 -15.974 1.00 73.11 C ATOM 1173 NE2 HIS A 73 -4.616 9.122 -15.549 1.00 52.44 N ATOM 0 H HIS A 73 -6.754 12.317 -12.939 1.00 70.23 H new ATOM 0 HA HIS A 73 -7.812 11.842 -15.577 1.00 13.11 H new ATOM 0 HB2 HIS A 73 -7.642 10.277 -12.995 1.00 43.40 H new ATOM 0 HB3 HIS A 73 -8.666 9.709 -14.299 1.00 43.40 H new ATOM 0 HD2 HIS A 73 -4.836 10.899 -14.291 1.00 20.11 H new ATOM 0 HE1 HIS A 73 -5.233 7.377 -16.602 1.00 73.11 H new ATOM 0 HE2 HIS A 73 -3.618 9.134 -15.758 1.00 52.44 H new ATOM 1182 N ASP A 74 -9.772 13.086 -13.394 1.00 62.34 N ATOM 1183 CA ASP A 74 -11.079 13.718 -13.116 1.00 34.53 C ATOM 1184 C ASP A 74 -11.825 12.922 -12.035 1.00 71.24 C ATOM 1185 O ASP A 74 -12.817 12.239 -12.284 1.00 3.34 O ATOM 1186 CB ASP A 74 -11.937 13.980 -14.400 1.00 20.10 C ATOM 1187 CG ASP A 74 -13.252 14.731 -14.128 1.00 34.52 C ATOM 1188 OD1 ASP A 74 -13.207 15.962 -13.962 1.00 72.54 O ATOM 1189 OD2 ASP A 74 -14.329 14.092 -14.086 1.00 54.04 O ATOM 0 H ASP A 74 -9.040 13.424 -12.770 1.00 62.34 H new ATOM 0 HA ASP A 74 -10.887 14.718 -12.726 1.00 34.53 H new ATOM 0 HB2 ASP A 74 -11.343 14.554 -15.111 1.00 20.10 H new ATOM 0 HB3 ASP A 74 -12.166 13.025 -14.873 1.00 20.10 H new ATOM 1194 N PHE A 75 -11.267 12.983 -10.833 1.00 14.24 N ATOM 1195 CA PHE A 75 -11.838 12.387 -9.622 1.00 12.03 C ATOM 1196 C PHE A 75 -11.670 13.429 -8.511 1.00 42.43 C ATOM 1197 O PHE A 75 -10.594 13.529 -7.908 1.00 24.11 O ATOM 1198 CB PHE A 75 -11.100 11.053 -9.310 1.00 45.43 C ATOM 1199 CG PHE A 75 -11.714 10.188 -8.210 1.00 15.24 C ATOM 1200 CD1 PHE A 75 -12.940 9.555 -8.401 1.00 51.32 C ATOM 1201 CD2 PHE A 75 -11.055 9.984 -7.002 1.00 35.41 C ATOM 1202 CE1 PHE A 75 -13.481 8.750 -7.420 1.00 50.52 C ATOM 1203 CE2 PHE A 75 -11.594 9.177 -6.025 1.00 50.32 C ATOM 1204 CZ PHE A 75 -12.807 8.561 -6.233 1.00 1.33 C ATOM 0 H PHE A 75 -10.381 13.460 -10.664 1.00 14.24 H new ATOM 0 HA PHE A 75 -12.894 12.138 -9.730 1.00 12.03 H new ATOM 0 HB2 PHE A 75 -11.055 10.463 -10.226 1.00 45.43 H new ATOM 0 HB3 PHE A 75 -10.073 11.286 -9.030 1.00 45.43 H new ATOM 0 HD1 PHE A 75 -13.474 9.696 -9.329 1.00 51.32 H new ATOM 0 HD2 PHE A 75 -10.105 10.467 -6.827 1.00 35.41 H new ATOM 0 HE1 PHE A 75 -14.433 8.268 -7.582 1.00 50.52 H new ATOM 0 HE2 PHE A 75 -11.065 9.027 -5.095 1.00 50.32 H new ATOM 0 HZ PHE A 75 -13.231 7.930 -5.466 1.00 1.33 H new ATOM 1214 N THR A 76 -12.734 14.236 -8.311 1.00 72.35 N ATOM 1215 CA THR A 76 -12.701 15.473 -7.500 1.00 32.43 C ATOM 1216 C THR A 76 -12.202 15.202 -6.046 1.00 1.24 C ATOM 1217 O THR A 76 -12.420 14.095 -5.517 1.00 25.25 O ATOM 1218 CB THR A 76 -14.124 16.173 -7.498 1.00 14.00 C ATOM 1219 OG1 THR A 76 -14.024 17.534 -7.053 1.00 13.33 O ATOM 1220 CG2 THR A 76 -15.131 15.456 -6.603 1.00 25.34 C ATOM 0 H THR A 76 -13.652 14.045 -8.713 1.00 72.35 H new ATOM 0 HA THR A 76 -11.984 16.153 -7.960 1.00 32.43 H new ATOM 0 HB THR A 76 -14.477 16.130 -8.528 1.00 14.00 H new ATOM 0 HG1 THR A 76 -14.836 17.778 -6.561 1.00 13.33 H new ATOM 0 HG21 THR A 76 -16.087 15.978 -6.640 1.00 25.34 H new ATOM 0 HG22 THR A 76 -15.263 14.432 -6.952 1.00 25.34 H new ATOM 0 HG23 THR A 76 -14.763 15.445 -5.577 1.00 25.34 H new ATOM 1228 N PRO A 77 -11.506 16.194 -5.384 1.00 23.01 N ATOM 1229 CA PRO A 77 -10.990 16.041 -3.990 1.00 41.24 C ATOM 1230 C PRO A 77 -12.094 15.678 -2.984 1.00 14.20 C ATOM 1231 O PRO A 77 -11.830 15.001 -1.996 1.00 0.41 O ATOM 1232 CB PRO A 77 -10.375 17.435 -3.674 1.00 32.11 C ATOM 1233 CG PRO A 77 -11.001 18.361 -4.673 1.00 51.22 C ATOM 1234 CD PRO A 77 -11.142 17.534 -5.926 1.00 52.34 C ATOM 0 HA PRO A 77 -10.273 15.224 -3.909 1.00 41.24 H new ATOM 0 HB2 PRO A 77 -10.598 17.744 -2.653 1.00 32.11 H new ATOM 0 HB3 PRO A 77 -9.290 17.421 -3.773 1.00 32.11 H new ATOM 0 HG2 PRO A 77 -11.969 18.722 -4.326 1.00 51.22 H new ATOM 0 HG3 PRO A 77 -10.377 19.238 -4.845 1.00 51.22 H new ATOM 0 HD2 PRO A 77 -11.913 17.928 -6.588 1.00 52.34 H new ATOM 0 HD3 PRO A 77 -10.215 17.503 -6.499 1.00 52.34 H new ATOM 1242 N GLU A 78 -13.326 16.124 -3.293 1.00 32.11 N ATOM 1243 CA GLU A 78 -14.521 15.909 -2.468 1.00 52.54 C ATOM 1244 C GLU A 78 -14.856 14.407 -2.378 1.00 24.52 C ATOM 1245 O GLU A 78 -15.172 13.905 -1.299 1.00 24.43 O ATOM 1246 CB GLU A 78 -15.707 16.698 -3.076 1.00 52.21 C ATOM 1247 CG GLU A 78 -15.424 18.194 -3.333 1.00 23.21 C ATOM 1248 CD GLU A 78 -16.557 18.891 -4.106 1.00 71.41 C ATOM 1249 OE1 GLU A 78 -16.690 18.633 -5.324 1.00 54.45 O ATOM 1250 OE2 GLU A 78 -17.323 19.679 -3.508 1.00 32.34 O ATOM 0 H GLU A 78 -13.518 16.655 -4.142 1.00 32.11 H new ATOM 0 HA GLU A 78 -14.330 16.268 -1.457 1.00 52.54 H new ATOM 0 HB2 GLU A 78 -15.992 16.229 -4.018 1.00 52.21 H new ATOM 0 HB3 GLU A 78 -16.563 16.614 -2.406 1.00 52.21 H new ATOM 0 HG2 GLU A 78 -15.276 18.700 -2.379 1.00 23.21 H new ATOM 0 HG3 GLU A 78 -14.494 18.292 -3.893 1.00 23.21 H new ATOM 1257 N GLU A 79 -14.758 13.704 -3.528 1.00 42.33 N ATOM 1258 CA GLU A 79 -14.960 12.240 -3.602 1.00 14.30 C ATOM 1259 C GLU A 79 -13.874 11.505 -2.816 1.00 50.51 C ATOM 1260 O GLU A 79 -14.177 10.615 -2.019 1.00 41.44 O ATOM 1261 CB GLU A 79 -14.965 11.751 -5.080 1.00 73.31 C ATOM 1262 CG GLU A 79 -16.247 12.088 -5.861 1.00 5.33 C ATOM 1263 CD GLU A 79 -17.487 11.357 -5.317 1.00 74.45 C ATOM 1264 OE1 GLU A 79 -17.690 10.180 -5.673 1.00 20.24 O ATOM 1265 OE2 GLU A 79 -18.261 11.944 -4.530 1.00 42.12 O ATOM 0 H GLU A 79 -14.538 14.133 -4.427 1.00 42.33 H new ATOM 0 HA GLU A 79 -15.930 12.016 -3.159 1.00 14.30 H new ATOM 0 HB2 GLU A 79 -14.113 12.192 -5.598 1.00 73.31 H new ATOM 0 HB3 GLU A 79 -14.821 10.671 -5.092 1.00 73.31 H new ATOM 0 HG2 GLU A 79 -16.419 13.164 -5.821 1.00 5.33 H new ATOM 0 HG3 GLU A 79 -16.107 11.826 -6.910 1.00 5.33 H new ATOM 1272 N ILE A 80 -12.619 11.931 -3.036 1.00 61.43 N ATOM 1273 CA ILE A 80 -11.428 11.337 -2.411 1.00 63.20 C ATOM 1274 C ILE A 80 -11.563 11.335 -0.872 1.00 22.43 C ATOM 1275 O ILE A 80 -11.539 10.271 -0.240 1.00 4.14 O ATOM 1276 CB ILE A 80 -10.128 12.119 -2.841 1.00 70.21 C ATOM 1277 CG1 ILE A 80 -9.991 12.164 -4.400 1.00 14.02 C ATOM 1278 CG2 ILE A 80 -8.870 11.505 -2.192 1.00 23.30 C ATOM 1279 CD1 ILE A 80 -8.818 12.978 -4.933 1.00 51.34 C ATOM 0 H ILE A 80 -12.402 12.707 -3.661 1.00 61.43 H new ATOM 0 HA ILE A 80 -11.344 10.306 -2.754 1.00 63.20 H new ATOM 0 HB ILE A 80 -10.221 13.144 -2.483 1.00 70.21 H new ATOM 0 HG12 ILE A 80 -9.899 11.142 -4.769 1.00 14.02 H new ATOM 0 HG13 ILE A 80 -10.912 12.571 -4.817 1.00 14.02 H new ATOM 0 HG21 ILE A 80 -7.989 12.064 -2.506 1.00 23.30 H new ATOM 0 HG22 ILE A 80 -8.961 11.551 -1.107 1.00 23.30 H new ATOM 0 HG23 ILE A 80 -8.770 10.465 -2.504 1.00 23.30 H new ATOM 0 HD11 ILE A 80 -8.816 12.943 -6.022 1.00 51.34 H new ATOM 0 HD12 ILE A 80 -8.913 14.013 -4.603 1.00 51.34 H new ATOM 0 HD13 ILE A 80 -7.884 12.561 -4.555 1.00 51.34 H new ATOM 1291 N LYS A 81 -11.813 12.536 -0.312 1.00 73.30 N ATOM 1292 CA LYS A 81 -11.894 12.763 1.145 1.00 31.53 C ATOM 1293 C LYS A 81 -13.170 12.128 1.752 1.00 33.22 C ATOM 1294 O LYS A 81 -13.217 11.856 2.956 1.00 61.35 O ATOM 1295 CB LYS A 81 -11.793 14.285 1.452 1.00 21.41 C ATOM 1296 CG LYS A 81 -13.003 15.135 0.985 1.00 43.40 C ATOM 1297 CD LYS A 81 -12.683 16.647 0.831 1.00 62.20 C ATOM 1298 CE LYS A 81 -12.109 17.288 2.103 1.00 42.13 C ATOM 1299 NZ LYS A 81 -13.026 17.146 3.265 1.00 63.02 N ATOM 0 H LYS A 81 -11.965 13.381 -0.862 1.00 73.30 H new ATOM 0 HA LYS A 81 -11.049 12.266 1.622 1.00 31.53 H new ATOM 0 HB2 LYS A 81 -11.672 14.415 2.527 1.00 21.41 H new ATOM 0 HB3 LYS A 81 -10.891 14.675 0.980 1.00 21.41 H new ATOM 0 HG2 LYS A 81 -13.359 14.749 0.030 1.00 43.40 H new ATOM 0 HG3 LYS A 81 -13.817 15.016 1.700 1.00 43.40 H new ATOM 0 HD2 LYS A 81 -11.971 16.778 0.016 1.00 62.20 H new ATOM 0 HD3 LYS A 81 -13.593 17.175 0.547 1.00 62.20 H new ATOM 0 HE2 LYS A 81 -11.150 16.826 2.340 1.00 42.13 H new ATOM 0 HE3 LYS A 81 -11.917 18.345 1.921 1.00 42.13 H new ATOM 0 HZ1 LYS A 81 -12.614 17.622 4.093 1.00 63.02 H new ATOM 0 HZ2 LYS A 81 -13.944 17.579 3.038 1.00 63.02 H new ATOM 0 HZ3 LYS A 81 -13.162 16.137 3.478 1.00 63.02 H new ATOM 1313 N SER A 82 -14.175 11.864 0.893 1.00 4.32 N ATOM 1314 CA SER A 82 -15.437 11.203 1.292 1.00 22.45 C ATOM 1315 C SER A 82 -15.206 9.708 1.597 1.00 62.23 C ATOM 1316 O SER A 82 -15.867 9.138 2.471 1.00 63.03 O ATOM 1317 CB SER A 82 -16.492 11.365 0.173 1.00 32.54 C ATOM 1318 OG SER A 82 -17.753 10.819 0.540 1.00 72.21 O ATOM 0 H SER A 82 -14.136 12.103 -0.098 1.00 4.32 H new ATOM 0 HA SER A 82 -15.803 11.680 2.201 1.00 22.45 H new ATOM 0 HB2 SER A 82 -16.611 12.423 -0.062 1.00 32.54 H new ATOM 0 HB3 SER A 82 -16.136 10.875 -0.733 1.00 32.54 H new ATOM 0 HG SER A 82 -18.390 10.944 -0.194 1.00 72.21 H new ATOM 1324 N PHE A 83 -14.248 9.082 0.877 1.00 30.32 N ATOM 1325 CA PHE A 83 -13.905 7.649 1.068 1.00 22.44 C ATOM 1326 C PHE A 83 -12.979 7.420 2.277 1.00 52.25 C ATOM 1327 O PHE A 83 -12.565 6.284 2.514 1.00 45.14 O ATOM 1328 CB PHE A 83 -13.266 7.049 -0.216 1.00 52.04 C ATOM 1329 CG PHE A 83 -14.234 6.907 -1.393 1.00 43.13 C ATOM 1330 CD1 PHE A 83 -15.304 6.014 -1.323 1.00 74.15 C ATOM 1331 CD2 PHE A 83 -14.085 7.661 -2.557 1.00 21.15 C ATOM 1332 CE1 PHE A 83 -16.191 5.886 -2.375 1.00 22.22 C ATOM 1333 CE2 PHE A 83 -14.976 7.532 -3.604 1.00 43.24 C ATOM 1334 CZ PHE A 83 -16.025 6.645 -3.514 1.00 73.41 C ATOM 0 H PHE A 83 -13.696 9.546 0.156 1.00 30.32 H new ATOM 0 HA PHE A 83 -14.843 7.133 1.271 1.00 22.44 H new ATOM 0 HB2 PHE A 83 -12.431 7.680 -0.521 1.00 52.04 H new ATOM 0 HB3 PHE A 83 -12.854 6.068 0.021 1.00 52.04 H new ATOM 0 HD1 PHE A 83 -15.441 5.415 -0.435 1.00 74.15 H new ATOM 0 HD2 PHE A 83 -13.262 8.355 -2.640 1.00 21.15 H new ATOM 0 HE1 PHE A 83 -17.015 5.191 -2.305 1.00 22.22 H new ATOM 0 HE2 PHE A 83 -14.850 8.128 -4.496 1.00 43.24 H new ATOM 0 HZ PHE A 83 -16.718 6.544 -4.336 1.00 73.41 H new ATOM 1344 N PHE A 84 -12.639 8.490 3.016 1.00 42.43 N ATOM 1345 CA PHE A 84 -11.931 8.385 4.314 1.00 35.31 C ATOM 1346 C PHE A 84 -12.933 8.323 5.482 1.00 64.25 C ATOM 1347 O PHE A 84 -12.564 7.933 6.599 1.00 24.13 O ATOM 1348 CB PHE A 84 -10.959 9.579 4.513 1.00 73.42 C ATOM 1349 CG PHE A 84 -9.758 9.574 3.566 1.00 1.10 C ATOM 1350 CD1 PHE A 84 -9.843 10.125 2.296 1.00 44.21 C ATOM 1351 CD2 PHE A 84 -8.544 9.024 3.952 1.00 53.44 C ATOM 1352 CE1 PHE A 84 -8.759 10.133 1.441 1.00 32.33 C ATOM 1353 CE2 PHE A 84 -7.461 9.027 3.096 1.00 45.11 C ATOM 1354 CZ PHE A 84 -7.569 9.582 1.840 1.00 25.23 C ATOM 0 H PHE A 84 -12.844 9.449 2.737 1.00 42.43 H new ATOM 0 HA PHE A 84 -11.351 7.462 4.301 1.00 35.31 H new ATOM 0 HB2 PHE A 84 -11.511 10.509 4.377 1.00 73.42 H new ATOM 0 HB3 PHE A 84 -10.597 9.571 5.541 1.00 73.42 H new ATOM 0 HD1 PHE A 84 -10.777 10.557 1.969 1.00 44.21 H new ATOM 0 HD2 PHE A 84 -8.445 8.588 4.935 1.00 53.44 H new ATOM 0 HE1 PHE A 84 -8.849 10.573 0.459 1.00 32.33 H new ATOM 0 HE2 PHE A 84 -6.525 8.592 3.413 1.00 45.11 H new ATOM 0 HZ PHE A 84 -6.720 9.583 1.173 1.00 25.23 H new ATOM 1364 N GLU A 85 -14.188 8.732 5.218 1.00 75.34 N ATOM 1365 CA GLU A 85 -15.249 8.770 6.235 1.00 22.35 C ATOM 1366 C GLU A 85 -15.674 7.340 6.627 1.00 51.11 C ATOM 1367 O GLU A 85 -16.216 6.596 5.809 1.00 72.35 O ATOM 1368 CB GLU A 85 -16.457 9.602 5.723 1.00 31.35 C ATOM 1369 CG GLU A 85 -16.127 11.076 5.387 1.00 14.31 C ATOM 1370 CD GLU A 85 -15.515 11.849 6.573 1.00 62.34 C ATOM 1371 OE1 GLU A 85 -16.262 12.264 7.482 1.00 64.51 O ATOM 1372 OE2 GLU A 85 -14.281 12.022 6.615 1.00 74.41 O ATOM 0 H GLU A 85 -14.492 9.044 4.296 1.00 75.34 H new ATOM 0 HA GLU A 85 -14.862 9.257 7.130 1.00 22.35 H new ATOM 0 HB2 GLU A 85 -16.861 9.121 4.832 1.00 31.35 H new ATOM 0 HB3 GLU A 85 -17.242 9.582 6.479 1.00 31.35 H new ATOM 0 HG2 GLU A 85 -15.433 11.103 4.547 1.00 14.31 H new ATOM 0 HG3 GLU A 85 -17.038 11.581 5.064 1.00 14.31 H new ATOM 1444 N ARG A 90 -16.078 0.706 6.021 1.00 32.03 N ATOM 1445 CA ARG A 90 -14.665 0.967 6.302 1.00 71.52 C ATOM 1446 C ARG A 90 -14.091 1.795 5.134 1.00 41.31 C ATOM 1447 O ARG A 90 -14.527 1.605 3.988 1.00 22.24 O ATOM 1448 CB ARG A 90 -13.901 -0.374 6.481 1.00 34.31 C ATOM 1449 CG ARG A 90 -14.268 -1.131 7.776 1.00 21.32 C ATOM 1450 CD ARG A 90 -13.595 -2.513 7.867 1.00 2.11 C ATOM 1451 NE ARG A 90 -14.196 -3.492 6.935 1.00 42.23 N ATOM 1452 CZ ARG A 90 -13.564 -4.077 5.903 1.00 25.54 C ATOM 1453 NH1 ARG A 90 -12.295 -3.780 5.619 1.00 70.13 N ATOM 1454 NH2 ARG A 90 -14.207 -4.972 5.167 1.00 64.13 N ATOM 0 HA ARG A 90 -14.552 1.528 7.230 1.00 71.52 H new ATOM 0 HB2 ARG A 90 -14.107 -1.016 5.625 1.00 34.31 H new ATOM 0 HB3 ARG A 90 -12.829 -0.174 6.479 1.00 34.31 H new ATOM 0 HG2 ARG A 90 -13.975 -0.531 8.638 1.00 21.32 H new ATOM 0 HG3 ARG A 90 -15.350 -1.254 7.826 1.00 21.32 H new ATOM 0 HD2 ARG A 90 -12.532 -2.412 7.649 1.00 2.11 H new ATOM 0 HD3 ARG A 90 -13.677 -2.888 8.887 1.00 2.11 H new ATOM 0 HE ARG A 90 -15.172 -3.744 7.088 1.00 42.23 H new ATOM 0 HH11 ARG A 90 -11.791 -3.100 6.188 1.00 70.13 H new ATOM 0 HH12 ARG A 90 -11.829 -4.232 4.832 1.00 70.13 H new ATOM 0 HH21 ARG A 90 -15.174 -5.212 5.385 1.00 64.13 H new ATOM 0 HH22 ARG A 90 -13.735 -5.421 4.382 1.00 64.13 H new ATOM 1468 N PRO A 91 -13.130 2.733 5.396 1.00 13.22 N ATOM 1469 CA PRO A 91 -12.624 3.651 4.358 1.00 23.41 C ATOM 1470 C PRO A 91 -11.960 2.897 3.181 1.00 22.22 C ATOM 1471 O PRO A 91 -11.128 2.009 3.395 1.00 55.44 O ATOM 1472 CB PRO A 91 -11.610 4.550 5.124 1.00 71.43 C ATOM 1473 CG PRO A 91 -11.927 4.364 6.578 1.00 52.44 C ATOM 1474 CD PRO A 91 -12.450 2.955 6.697 1.00 30.20 C ATOM 0 HA PRO A 91 -13.421 4.226 3.888 1.00 23.41 H new ATOM 0 HB2 PRO A 91 -10.583 4.257 4.906 1.00 71.43 H new ATOM 0 HB3 PRO A 91 -11.712 5.595 4.831 1.00 71.43 H new ATOM 0 HG2 PRO A 91 -11.040 4.507 7.195 1.00 52.44 H new ATOM 0 HG3 PRO A 91 -12.669 5.088 6.914 1.00 52.44 H new ATOM 0 HD2 PRO A 91 -11.644 2.239 6.857 1.00 30.20 H new ATOM 0 HD3 PRO A 91 -13.140 2.851 7.535 1.00 30.20 H new ATOM 1482 N VAL A 92 -12.389 3.221 1.949 1.00 52.02 N ATOM 1483 CA VAL A 92 -11.766 2.695 0.719 1.00 24.21 C ATOM 1484 C VAL A 92 -10.363 3.313 0.572 1.00 3.42 C ATOM 1485 O VAL A 92 -9.418 2.671 0.120 1.00 22.51 O ATOM 1486 CB VAL A 92 -12.654 3.002 -0.543 1.00 65.21 C ATOM 1487 CG1 VAL A 92 -12.013 2.465 -1.847 1.00 51.54 C ATOM 1488 CG2 VAL A 92 -14.091 2.447 -0.351 1.00 25.34 C ATOM 0 H VAL A 92 -13.173 3.851 1.777 1.00 52.02 H new ATOM 0 HA VAL A 92 -11.680 1.611 0.792 1.00 24.21 H new ATOM 0 HB VAL A 92 -12.717 4.085 -0.644 1.00 65.21 H new ATOM 0 HG11 VAL A 92 -12.659 2.699 -2.693 1.00 51.54 H new ATOM 0 HG12 VAL A 92 -11.040 2.933 -1.994 1.00 51.54 H new ATOM 0 HG13 VAL A 92 -11.888 1.385 -1.773 1.00 51.54 H new ATOM 0 HG21 VAL A 92 -14.688 2.670 -1.235 1.00 25.34 H new ATOM 0 HG22 VAL A 92 -14.048 1.368 -0.205 1.00 25.34 H new ATOM 0 HG23 VAL A 92 -14.547 2.913 0.522 1.00 25.34 H new ATOM 1498 N PHE A 93 -10.263 4.586 0.970 1.00 3.53 N ATOM 1499 CA PHE A 93 -8.986 5.282 1.143 1.00 23.43 C ATOM 1500 C PHE A 93 -8.805 5.515 2.646 1.00 1.02 C ATOM 1501 O PHE A 93 -9.619 6.203 3.259 1.00 1.21 O ATOM 1502 CB PHE A 93 -8.982 6.638 0.386 1.00 43.32 C ATOM 1503 CG PHE A 93 -9.319 6.575 -1.108 1.00 72.11 C ATOM 1504 CD1 PHE A 93 -8.910 5.504 -1.902 1.00 31.42 C ATOM 1505 CD2 PHE A 93 -10.040 7.601 -1.717 1.00 54.43 C ATOM 1506 CE1 PHE A 93 -9.217 5.460 -3.247 1.00 73.54 C ATOM 1507 CE2 PHE A 93 -10.346 7.554 -3.061 1.00 53.34 C ATOM 1508 CZ PHE A 93 -9.935 6.484 -3.827 1.00 62.23 C ATOM 0 H PHE A 93 -11.074 5.166 1.183 1.00 3.53 H new ATOM 0 HA PHE A 93 -8.170 4.685 0.735 1.00 23.43 H new ATOM 0 HB2 PHE A 93 -9.695 7.304 0.871 1.00 43.32 H new ATOM 0 HB3 PHE A 93 -7.997 7.090 0.497 1.00 43.32 H new ATOM 0 HD1 PHE A 93 -8.345 4.698 -1.458 1.00 31.42 H new ATOM 0 HD2 PHE A 93 -10.364 8.446 -1.127 1.00 54.43 H new ATOM 0 HE1 PHE A 93 -8.894 4.622 -3.846 1.00 73.54 H new ATOM 0 HE2 PHE A 93 -10.909 8.357 -3.514 1.00 53.34 H new ATOM 0 HZ PHE A 93 -10.175 6.448 -4.879 1.00 62.23 H new ATOM 1518 N VAL A 94 -7.769 4.922 3.241 1.00 2.44 N ATOM 1519 CA VAL A 94 -7.487 5.048 4.686 1.00 21.23 C ATOM 1520 C VAL A 94 -6.210 5.888 4.869 1.00 11.42 C ATOM 1521 O VAL A 94 -5.387 5.950 3.956 1.00 44.14 O ATOM 1522 CB VAL A 94 -7.295 3.632 5.366 1.00 10.41 C ATOM 1523 CG1 VAL A 94 -7.256 3.749 6.899 1.00 44.44 C ATOM 1524 CG2 VAL A 94 -8.385 2.624 4.932 1.00 34.33 C ATOM 0 H VAL A 94 -7.097 4.339 2.742 1.00 2.44 H new ATOM 0 HA VAL A 94 -8.337 5.534 5.166 1.00 21.23 H new ATOM 0 HB VAL A 94 -6.334 3.249 5.022 1.00 10.41 H new ATOM 0 HG11 VAL A 94 -7.123 2.759 7.336 1.00 44.44 H new ATOM 0 HG12 VAL A 94 -6.426 4.390 7.194 1.00 44.44 H new ATOM 0 HG13 VAL A 94 -8.192 4.180 7.255 1.00 44.44 H new ATOM 0 HG21 VAL A 94 -8.212 1.667 5.424 1.00 34.33 H new ATOM 0 HG22 VAL A 94 -9.366 3.005 5.215 1.00 34.33 H new ATOM 0 HG23 VAL A 94 -8.346 2.489 3.851 1.00 34.33 H new ATOM 1534 N LYS A 95 -6.060 6.541 6.038 1.00 54.32 N ATOM 1535 CA LYS A 95 -4.853 7.321 6.373 1.00 21.52 C ATOM 1536 C LYS A 95 -4.595 7.335 7.888 1.00 70.03 C ATOM 1537 O LYS A 95 -5.373 6.787 8.676 1.00 1.21 O ATOM 1538 CB LYS A 95 -4.960 8.772 5.846 1.00 11.45 C ATOM 1539 CG LYS A 95 -6.035 9.639 6.542 1.00 71.11 C ATOM 1540 CD LYS A 95 -6.025 11.099 6.039 1.00 44.24 C ATOM 1541 CE LYS A 95 -4.703 11.830 6.341 1.00 42.31 C ATOM 1542 NZ LYS A 95 -4.687 13.208 5.776 1.00 10.11 N ATOM 0 H LYS A 95 -6.768 6.543 6.773 1.00 54.32 H new ATOM 0 HA LYS A 95 -4.011 6.831 5.883 1.00 21.52 H new ATOM 0 HB2 LYS A 95 -3.991 9.258 5.962 1.00 11.45 H new ATOM 0 HB3 LYS A 95 -5.175 8.740 4.778 1.00 11.45 H new ATOM 0 HG2 LYS A 95 -7.019 9.204 6.368 1.00 71.11 H new ATOM 0 HG3 LYS A 95 -5.867 9.627 7.619 1.00 71.11 H new ATOM 0 HD2 LYS A 95 -6.202 11.108 4.963 1.00 44.24 H new ATOM 0 HD3 LYS A 95 -6.849 11.643 6.502 1.00 44.24 H new ATOM 0 HE2 LYS A 95 -4.553 11.878 7.420 1.00 42.31 H new ATOM 0 HE3 LYS A 95 -3.871 11.259 5.929 1.00 42.31 H new ATOM 0 HZ1 LYS A 95 -4.134 13.832 6.398 1.00 10.11 H new ATOM 0 HZ2 LYS A 95 -4.255 13.190 4.830 1.00 10.11 H new ATOM 0 HZ3 LYS A 95 -5.661 13.565 5.705 1.00 10.11 H new ATOM 1556 N GLY A 96 -3.472 7.964 8.261 1.00 20.42 N ATOM 1557 CA GLY A 96 -3.090 8.174 9.654 1.00 23.11 C ATOM 1558 C GLY A 96 -1.712 7.612 9.914 1.00 73.12 C ATOM 1559 O GLY A 96 -0.843 7.696 9.045 1.00 71.33 O ATOM 0 H GLY A 96 -2.800 8.343 7.593 1.00 20.42 H new ATOM 0 HA2 GLY A 96 -3.104 9.239 9.885 1.00 23.11 H new ATOM 0 HA3 GLY A 96 -3.815 7.695 10.312 1.00 23.11 H new ATOM 1563 N SER A 97 -1.497 7.050 11.107 1.00 43.15 N ATOM 1564 CA SER A 97 -0.283 6.270 11.399 1.00 2.11 C ATOM 1565 C SER A 97 -0.415 4.873 10.769 1.00 22.11 C ATOM 1566 O SER A 97 -1.491 4.513 10.290 1.00 3.41 O ATOM 1567 CB SER A 97 -0.078 6.171 12.924 1.00 62.14 C ATOM 1568 OG SER A 97 1.110 5.463 13.259 1.00 62.34 O ATOM 0 H SER A 97 -2.147 7.119 11.890 1.00 43.15 H new ATOM 0 HA SER A 97 0.588 6.766 10.972 1.00 2.11 H new ATOM 0 HB2 SER A 97 -0.034 7.174 13.349 1.00 62.14 H new ATOM 0 HB3 SER A 97 -0.936 5.671 13.373 1.00 62.14 H new ATOM 0 HG SER A 97 1.204 5.424 14.234 1.00 62.34 H new ATOM 1574 N LEU A 98 0.676 4.093 10.788 1.00 32.10 N ATOM 1575 CA LEU A 98 0.694 2.723 10.241 1.00 35.23 C ATOM 1576 C LEU A 98 -0.344 1.831 10.957 1.00 55.13 C ATOM 1577 O LEU A 98 -1.147 1.143 10.313 1.00 23.32 O ATOM 1578 CB LEU A 98 2.119 2.122 10.383 1.00 73.24 C ATOM 1579 CG LEU A 98 2.313 0.671 9.842 1.00 70.42 C ATOM 1580 CD1 LEU A 98 1.935 0.559 8.348 1.00 31.14 C ATOM 1581 CD2 LEU A 98 3.749 0.171 10.100 1.00 1.23 C ATOM 0 H LEU A 98 1.569 4.390 11.181 1.00 32.10 H new ATOM 0 HA LEU A 98 0.428 2.764 9.185 1.00 35.23 H new ATOM 0 HB2 LEU A 98 2.820 2.777 9.865 1.00 73.24 H new ATOM 0 HB3 LEU A 98 2.392 2.133 11.438 1.00 73.24 H new ATOM 0 HG LEU A 98 1.630 0.024 10.392 1.00 70.42 H new ATOM 0 HD11 LEU A 98 2.084 -0.467 8.011 1.00 31.14 H new ATOM 0 HD12 LEU A 98 0.889 0.836 8.216 1.00 31.14 H new ATOM 0 HD13 LEU A 98 2.565 1.229 7.762 1.00 31.14 H new ATOM 0 HD21 LEU A 98 3.856 -0.842 9.713 1.00 1.23 H new ATOM 0 HD22 LEU A 98 4.459 0.828 9.598 1.00 1.23 H new ATOM 0 HD23 LEU A 98 3.948 0.173 11.172 1.00 1.23 H new ATOM 1593 N GLU A 99 -0.331 1.907 12.297 1.00 20.42 N ATOM 1594 CA GLU A 99 -1.205 1.099 13.162 1.00 71.33 C ATOM 1595 C GLU A 99 -2.649 1.631 13.158 1.00 13.30 C ATOM 1596 O GLU A 99 -3.595 0.854 13.114 1.00 20.43 O ATOM 1597 CB GLU A 99 -0.638 1.075 14.597 1.00 55.42 C ATOM 1598 CG GLU A 99 0.798 0.523 14.700 1.00 45.32 C ATOM 1599 CD GLU A 99 1.311 0.448 16.144 1.00 55.33 C ATOM 1600 OE1 GLU A 99 0.808 -0.387 16.924 1.00 43.43 O ATOM 1601 OE2 GLU A 99 2.198 1.238 16.518 1.00 71.24 O ATOM 0 H GLU A 99 0.288 2.533 12.813 1.00 20.42 H new ATOM 0 HA GLU A 99 -1.232 0.082 12.770 1.00 71.33 H new ATOM 0 HB2 GLU A 99 -0.656 2.088 15.000 1.00 55.42 H new ATOM 0 HB3 GLU A 99 -1.293 0.471 15.225 1.00 55.42 H new ATOM 0 HG2 GLU A 99 0.831 -0.472 14.257 1.00 45.32 H new ATOM 0 HG3 GLU A 99 1.467 1.155 14.115 1.00 45.32 H new ATOM 1608 N SER A 100 -2.793 2.967 13.175 1.00 2.25 N ATOM 1609 CA SER A 100 -4.103 3.644 13.147 1.00 72.33 C ATOM 1610 C SER A 100 -4.881 3.300 11.858 1.00 73.03 C ATOM 1611 O SER A 100 -6.067 2.948 11.899 1.00 74.23 O ATOM 1612 CB SER A 100 -3.880 5.164 13.243 1.00 60.14 C ATOM 1613 OG SER A 100 -3.144 5.512 14.407 1.00 34.32 O ATOM 0 H SER A 100 -2.002 3.611 13.209 1.00 2.25 H new ATOM 0 HA SER A 100 -4.698 3.300 13.993 1.00 72.33 H new ATOM 0 HB2 SER A 100 -3.347 5.511 12.358 1.00 60.14 H new ATOM 0 HB3 SER A 100 -4.843 5.674 13.255 1.00 60.14 H new ATOM 0 HG SER A 100 -3.019 6.483 14.436 1.00 34.32 H new ATOM 1619 N ALA A 101 -4.167 3.377 10.722 1.00 23.01 N ATOM 1620 CA ALA A 101 -4.714 3.070 9.397 1.00 30.13 C ATOM 1621 C ALA A 101 -5.056 1.577 9.273 1.00 13.54 C ATOM 1622 O ALA A 101 -5.993 1.207 8.563 1.00 21.22 O ATOM 1623 CB ALA A 101 -3.723 3.510 8.311 1.00 31.34 C ATOM 0 H ALA A 101 -3.186 3.657 10.702 1.00 23.01 H new ATOM 0 HA ALA A 101 -5.643 3.624 9.262 1.00 30.13 H new ATOM 0 HB1 ALA A 101 -4.134 3.280 7.328 1.00 31.34 H new ATOM 0 HB2 ALA A 101 -3.550 4.583 8.389 1.00 31.34 H new ATOM 0 HB3 ALA A 101 -2.780 2.980 8.443 1.00 31.34 H new ATOM 1629 N ALA A 102 -4.292 0.736 9.993 1.00 4.00 N ATOM 1630 CA ALA A 102 -4.532 -0.714 10.073 1.00 11.20 C ATOM 1631 C ALA A 102 -5.889 -1.017 10.720 1.00 53.52 C ATOM 1632 O ALA A 102 -6.658 -1.842 10.220 1.00 3.42 O ATOM 1633 CB ALA A 102 -3.414 -1.379 10.875 1.00 13.44 C ATOM 0 H ALA A 102 -3.487 1.046 10.538 1.00 4.00 H new ATOM 0 HA ALA A 102 -4.543 -1.114 9.059 1.00 11.20 H new ATOM 0 HB1 ALA A 102 -3.596 -2.452 10.932 1.00 13.44 H new ATOM 0 HB2 ALA A 102 -2.457 -1.198 10.385 1.00 13.44 H new ATOM 0 HB3 ALA A 102 -3.390 -0.961 11.882 1.00 13.44 H new ATOM 1639 N GLU A 103 -6.168 -0.310 11.832 1.00 43.12 N ATOM 1640 CA GLU A 103 -7.401 -0.484 12.622 1.00 20.31 C ATOM 1641 C GLU A 103 -8.642 -0.018 11.846 1.00 70.30 C ATOM 1642 O GLU A 103 -9.695 -0.650 11.920 1.00 44.24 O ATOM 1643 CB GLU A 103 -7.288 0.288 13.961 1.00 75.01 C ATOM 1644 CG GLU A 103 -6.072 -0.114 14.814 1.00 12.14 C ATOM 1645 CD GLU A 103 -6.018 0.594 16.173 1.00 2.31 C ATOM 1646 OE1 GLU A 103 -5.492 1.725 16.239 1.00 54.11 O ATOM 1647 OE2 GLU A 103 -6.515 0.033 17.174 1.00 60.44 O ATOM 0 H GLU A 103 -5.541 0.401 12.209 1.00 43.12 H new ATOM 0 HA GLU A 103 -7.518 -1.548 12.827 1.00 20.31 H new ATOM 0 HB2 GLU A 103 -7.234 1.356 13.749 1.00 75.01 H new ATOM 0 HB3 GLU A 103 -8.196 0.124 14.541 1.00 75.01 H new ATOM 0 HG2 GLU A 103 -6.091 -1.192 14.975 1.00 12.14 H new ATOM 0 HG3 GLU A 103 -5.160 0.109 14.260 1.00 12.14 H new ATOM 1654 N GLN A 104 -8.495 1.098 11.111 1.00 24.22 N ATOM 1655 CA GLN A 104 -9.578 1.675 10.286 1.00 14.11 C ATOM 1656 C GLN A 104 -9.878 0.796 9.052 1.00 71.44 C ATOM 1657 O GLN A 104 -11.039 0.667 8.648 1.00 61.32 O ATOM 1658 CB GLN A 104 -9.202 3.112 9.851 1.00 41.13 C ATOM 1659 CG GLN A 104 -9.015 4.106 11.011 1.00 44.25 C ATOM 1660 CD GLN A 104 -8.528 5.479 10.547 1.00 33.24 C ATOM 1661 OE1 GLN A 104 -9.323 6.361 10.222 1.00 13.02 O ATOM 1662 NE2 GLN A 104 -7.217 5.660 10.490 1.00 75.13 N ATOM 0 H GLN A 104 -7.624 1.627 11.070 1.00 24.22 H new ATOM 0 HA GLN A 104 -10.484 1.711 10.891 1.00 14.11 H new ATOM 0 HB2 GLN A 104 -8.279 3.072 9.272 1.00 41.13 H new ATOM 0 HB3 GLN A 104 -9.979 3.491 9.187 1.00 41.13 H new ATOM 0 HG2 GLN A 104 -9.961 4.222 11.540 1.00 44.25 H new ATOM 0 HG3 GLN A 104 -8.300 3.694 11.723 1.00 44.25 H new ATOM 0 HE21 GLN A 104 -6.586 4.908 10.767 1.00 75.13 H new ATOM 0 HE22 GLN A 104 -6.839 6.551 10.169 1.00 75.13 H new ATOM 1671 N ALA A 105 -8.826 0.183 8.479 1.00 60.31 N ATOM 1672 CA ALA A 105 -8.948 -0.707 7.303 1.00 33.51 C ATOM 1673 C ALA A 105 -9.415 -2.121 7.705 1.00 1.03 C ATOM 1674 O ALA A 105 -9.969 -2.852 6.883 1.00 51.51 O ATOM 1675 CB ALA A 105 -7.607 -0.772 6.559 1.00 20.40 C ATOM 0 H ALA A 105 -7.869 0.288 8.815 1.00 60.31 H new ATOM 0 HA ALA A 105 -9.707 -0.291 6.640 1.00 33.51 H new ATOM 0 HB1 ALA A 105 -7.702 -1.429 5.694 1.00 20.40 H new ATOM 0 HB2 ALA A 105 -7.326 0.227 6.227 1.00 20.40 H new ATOM 0 HB3 ALA A 105 -6.839 -1.161 7.227 1.00 20.40 H new ATOM 1681 N GLY A 106 -9.182 -2.488 8.980 1.00 71.24 N ATOM 1682 CA GLY A 106 -9.548 -3.812 9.508 1.00 24.02 C ATOM 1683 C GLY A 106 -8.517 -4.889 9.191 1.00 32.24 C ATOM 1684 O GLY A 106 -8.849 -6.079 9.127 1.00 62.44 O ATOM 0 H GLY A 106 -8.738 -1.878 9.667 1.00 71.24 H new ATOM 0 HA2 GLY A 106 -9.672 -3.744 10.589 1.00 24.02 H new ATOM 0 HA3 GLY A 106 -10.512 -4.108 9.094 1.00 24.02 H new ATOM 1688 N ILE A 107 -7.266 -4.457 8.977 1.00 13.12 N ATOM 1689 CA ILE A 107 -6.120 -5.351 8.721 1.00 1.33 C ATOM 1690 C ILE A 107 -5.404 -5.647 10.053 1.00 54.10 C ATOM 1691 O ILE A 107 -5.428 -4.806 10.964 1.00 0.42 O ATOM 1692 CB ILE A 107 -5.095 -4.694 7.717 1.00 1.52 C ATOM 1693 CG1 ILE A 107 -5.812 -4.079 6.485 1.00 12.23 C ATOM 1694 CG2 ILE A 107 -4.030 -5.714 7.247 1.00 24.02 C ATOM 1695 CD1 ILE A 107 -4.888 -3.295 5.569 1.00 34.01 C ATOM 0 H ILE A 107 -7.015 -3.468 8.976 1.00 13.12 H new ATOM 0 HA ILE A 107 -6.495 -6.272 8.275 1.00 1.33 H new ATOM 0 HB ILE A 107 -4.595 -3.892 8.261 1.00 1.52 H new ATOM 0 HG12 ILE A 107 -6.283 -4.879 5.913 1.00 12.23 H new ATOM 0 HG13 ILE A 107 -6.610 -3.422 6.831 1.00 12.23 H new ATOM 0 HG21 ILE A 107 -3.340 -5.228 6.557 1.00 24.02 H new ATOM 0 HG22 ILE A 107 -3.478 -6.087 8.110 1.00 24.02 H new ATOM 0 HG23 ILE A 107 -4.521 -6.547 6.743 1.00 24.02 H new ATOM 0 HD11 ILE A 107 -5.459 -2.896 4.731 1.00 34.01 H new ATOM 0 HD12 ILE A 107 -4.436 -2.473 6.125 1.00 34.01 H new ATOM 0 HD13 ILE A 107 -4.104 -3.953 5.193 1.00 34.01 H new ATOM 1707 N VAL A 108 -4.767 -6.832 10.159 1.00 53.43 N ATOM 1708 CA VAL A 108 -4.023 -7.220 11.363 1.00 11.24 C ATOM 1709 C VAL A 108 -2.773 -6.320 11.524 1.00 10.43 C ATOM 1710 O VAL A 108 -1.823 -6.401 10.722 1.00 33.53 O ATOM 1711 CB VAL A 108 -3.623 -8.738 11.344 1.00 0.11 C ATOM 1712 CG1 VAL A 108 -2.886 -9.136 12.642 1.00 74.40 C ATOM 1713 CG2 VAL A 108 -4.860 -9.639 11.102 1.00 43.33 C ATOM 0 H VAL A 108 -4.757 -7.535 9.420 1.00 53.43 H new ATOM 0 HA VAL A 108 -4.678 -7.077 12.223 1.00 11.24 H new ATOM 0 HB VAL A 108 -2.935 -8.891 10.513 1.00 0.11 H new ATOM 0 HG11 VAL A 108 -2.621 -10.193 12.601 1.00 74.40 H new ATOM 0 HG12 VAL A 108 -1.980 -8.539 12.744 1.00 74.40 H new ATOM 0 HG13 VAL A 108 -3.536 -8.958 13.499 1.00 74.40 H new ATOM 0 HG21 VAL A 108 -4.552 -10.685 11.094 1.00 43.33 H new ATOM 0 HG22 VAL A 108 -5.587 -9.481 11.899 1.00 43.33 H new ATOM 0 HG23 VAL A 108 -5.312 -9.386 10.143 1.00 43.33 H new ATOM 1723 N VAL A 109 -2.824 -5.462 12.563 1.00 63.31 N ATOM 1724 CA VAL A 109 -1.807 -4.439 12.859 1.00 60.35 C ATOM 1725 C VAL A 109 -0.397 -5.051 12.932 1.00 2.33 C ATOM 1726 O VAL A 109 0.474 -4.688 12.150 1.00 24.14 O ATOM 1727 CB VAL A 109 -2.141 -3.707 14.219 1.00 14.32 C ATOM 1728 CG1 VAL A 109 -1.050 -2.686 14.615 1.00 34.34 C ATOM 1729 CG2 VAL A 109 -3.537 -3.036 14.177 1.00 64.45 C ATOM 0 H VAL A 109 -3.592 -5.463 13.234 1.00 63.31 H new ATOM 0 HA VAL A 109 -1.823 -3.715 12.045 1.00 60.35 H new ATOM 0 HB VAL A 109 -2.161 -4.477 14.990 1.00 14.32 H new ATOM 0 HG11 VAL A 109 -1.323 -2.208 15.556 1.00 34.34 H new ATOM 0 HG12 VAL A 109 -0.096 -3.200 14.733 1.00 34.34 H new ATOM 0 HG13 VAL A 109 -0.960 -1.929 13.836 1.00 34.34 H new ATOM 0 HG21 VAL A 109 -3.732 -2.543 15.129 1.00 64.45 H new ATOM 0 HG22 VAL A 109 -3.562 -2.299 13.374 1.00 64.45 H new ATOM 0 HG23 VAL A 109 -4.300 -3.794 13.998 1.00 64.45 H new ATOM 1739 N ASP A 110 -0.225 -6.023 13.841 1.00 14.14 N ATOM 1740 CA ASP A 110 1.090 -6.615 14.161 1.00 75.15 C ATOM 1741 C ASP A 110 1.756 -7.246 12.920 1.00 15.33 C ATOM 1742 O ASP A 110 2.970 -7.119 12.729 1.00 14.45 O ATOM 1743 CB ASP A 110 0.942 -7.660 15.299 1.00 45.43 C ATOM 1744 CG ASP A 110 2.294 -8.209 15.792 1.00 43.13 C ATOM 1745 OD1 ASP A 110 3.022 -7.466 16.484 1.00 35.24 O ATOM 1746 OD2 ASP A 110 2.645 -9.365 15.473 1.00 75.51 O ATOM 0 H ASP A 110 -0.994 -6.424 14.378 1.00 14.14 H new ATOM 0 HA ASP A 110 1.744 -5.811 14.500 1.00 75.15 H new ATOM 0 HB2 ASP A 110 0.414 -7.204 16.137 1.00 45.43 H new ATOM 0 HB3 ASP A 110 0.327 -8.488 14.947 1.00 45.43 H new ATOM 1751 N GLU A 111 0.936 -7.878 12.063 1.00 34.40 N ATOM 1752 CA GLU A 111 1.409 -8.519 10.824 1.00 53.33 C ATOM 1753 C GLU A 111 1.958 -7.478 9.817 1.00 41.14 C ATOM 1754 O GLU A 111 3.062 -7.655 9.285 1.00 52.14 O ATOM 1755 CB GLU A 111 0.270 -9.346 10.178 1.00 31.33 C ATOM 1756 CG GLU A 111 -0.136 -10.624 10.944 1.00 10.23 C ATOM 1757 CD GLU A 111 0.945 -11.722 10.947 1.00 53.31 C ATOM 1758 OE1 GLU A 111 1.096 -12.415 9.920 1.00 53.15 O ATOM 1759 OE2 GLU A 111 1.648 -11.899 11.966 1.00 53.03 O ATOM 0 H GLU A 111 -0.070 -7.959 12.209 1.00 34.40 H new ATOM 0 HA GLU A 111 2.228 -9.188 11.088 1.00 53.33 H new ATOM 0 HB2 GLU A 111 -0.608 -8.708 10.078 1.00 31.33 H new ATOM 0 HB3 GLU A 111 0.575 -9.628 9.170 1.00 31.33 H new ATOM 0 HG2 GLU A 111 -0.372 -10.358 11.974 1.00 10.23 H new ATOM 0 HG3 GLU A 111 -1.047 -11.027 10.502 1.00 10.23 H new ATOM 1766 N LEU A 112 1.196 -6.386 9.558 1.00 42.14 N ATOM 1767 CA LEU A 112 1.628 -5.360 8.573 1.00 43.02 C ATOM 1768 C LEU A 112 2.780 -4.495 9.106 1.00 40.02 C ATOM 1769 O LEU A 112 3.603 -4.038 8.320 1.00 72.24 O ATOM 1770 CB LEU A 112 0.437 -4.492 8.061 1.00 2.12 C ATOM 1771 CG LEU A 112 -0.437 -3.718 9.113 1.00 5.03 C ATOM 1772 CD1 LEU A 112 0.238 -2.455 9.698 1.00 33.53 C ATOM 1773 CD2 LEU A 112 -1.793 -3.350 8.512 1.00 2.22 C ATOM 0 H LEU A 112 0.300 -6.194 10.005 1.00 42.14 H new ATOM 0 HA LEU A 112 2.013 -5.904 7.710 1.00 43.02 H new ATOM 0 HB2 LEU A 112 0.838 -3.759 7.361 1.00 2.12 H new ATOM 0 HB3 LEU A 112 -0.228 -5.144 7.494 1.00 2.12 H new ATOM 0 HG LEU A 112 -0.565 -4.407 9.948 1.00 5.03 H new ATOM 0 HD11 LEU A 112 -0.434 -1.982 10.415 1.00 33.53 H new ATOM 0 HD12 LEU A 112 1.164 -2.737 10.200 1.00 33.53 H new ATOM 0 HD13 LEU A 112 0.460 -1.755 8.893 1.00 33.53 H new ATOM 0 HD21 LEU A 112 -2.386 -2.815 9.253 1.00 2.22 H new ATOM 0 HD22 LEU A 112 -1.644 -2.715 7.639 1.00 2.22 H new ATOM 0 HD23 LEU A 112 -2.318 -4.258 8.215 1.00 2.22 H new ATOM 1785 N VAL A 113 2.834 -4.283 10.442 1.00 73.35 N ATOM 1786 CA VAL A 113 3.940 -3.539 11.084 1.00 63.21 C ATOM 1787 C VAL A 113 5.257 -4.273 10.816 1.00 41.04 C ATOM 1788 O VAL A 113 6.261 -3.642 10.484 1.00 3.13 O ATOM 1789 CB VAL A 113 3.711 -3.320 12.637 1.00 53.00 C ATOM 1790 CG1 VAL A 113 4.962 -2.728 13.340 1.00 44.12 C ATOM 1791 CG2 VAL A 113 2.485 -2.409 12.887 1.00 35.32 C ATOM 0 H VAL A 113 2.125 -4.617 11.094 1.00 73.35 H new ATOM 0 HA VAL A 113 3.978 -2.542 10.646 1.00 63.21 H new ATOM 0 HB VAL A 113 3.524 -4.303 13.069 1.00 53.00 H new ATOM 0 HG11 VAL A 113 4.755 -2.597 14.402 1.00 44.12 H new ATOM 0 HG12 VAL A 113 5.805 -3.408 13.216 1.00 44.12 H new ATOM 0 HG13 VAL A 113 5.206 -1.763 12.896 1.00 44.12 H new ATOM 0 HG21 VAL A 113 2.346 -2.272 13.959 1.00 35.32 H new ATOM 0 HG22 VAL A 113 2.650 -1.440 12.416 1.00 35.32 H new ATOM 0 HG23 VAL A 113 1.595 -2.873 12.462 1.00 35.32 H new ATOM 1801 N GLN A 114 5.199 -5.621 10.882 1.00 22.11 N ATOM 1802 CA GLN A 114 6.321 -6.489 10.493 1.00 64.10 C ATOM 1803 C GLN A 114 6.695 -6.265 9.017 1.00 62.52 C ATOM 1804 O GLN A 114 7.814 -5.875 8.728 1.00 43.45 O ATOM 1805 CB GLN A 114 5.988 -7.988 10.745 1.00 44.32 C ATOM 1806 CG GLN A 114 5.981 -8.414 12.224 1.00 31.24 C ATOM 1807 CD GLN A 114 7.359 -8.327 12.886 1.00 75.22 C ATOM 1808 OE1 GLN A 114 8.132 -9.284 12.869 1.00 14.31 O ATOM 1809 NE2 GLN A 114 7.675 -7.184 13.477 1.00 55.32 N ATOM 0 H GLN A 114 4.377 -6.131 11.205 1.00 22.11 H new ATOM 0 HA GLN A 114 7.177 -6.224 11.114 1.00 64.10 H new ATOM 0 HB2 GLN A 114 5.010 -8.204 10.316 1.00 44.32 H new ATOM 0 HB3 GLN A 114 6.713 -8.601 10.210 1.00 44.32 H new ATOM 0 HG2 GLN A 114 5.281 -7.784 12.773 1.00 31.24 H new ATOM 0 HG3 GLN A 114 5.614 -9.438 12.298 1.00 31.24 H new ATOM 0 HE21 GLN A 114 7.013 -6.408 13.474 1.00 55.32 H new ATOM 0 HE22 GLN A 114 8.581 -7.080 13.935 1.00 55.32 H new ATOM 1818 N THR A 115 5.722 -6.455 8.107 1.00 20.13 N ATOM 1819 CA THR A 115 5.976 -6.469 6.647 1.00 4.13 C ATOM 1820 C THR A 115 6.528 -5.103 6.130 1.00 32.41 C ATOM 1821 O THR A 115 7.329 -5.057 5.187 1.00 31.54 O ATOM 1822 CB THR A 115 4.678 -6.916 5.860 1.00 4.21 C ATOM 1823 OG1 THR A 115 5.034 -7.692 4.706 1.00 72.15 O ATOM 1824 CG2 THR A 115 3.788 -5.739 5.414 1.00 5.54 C ATOM 0 H THR A 115 4.744 -6.602 8.356 1.00 20.13 H new ATOM 0 HA THR A 115 6.757 -7.205 6.455 1.00 4.13 H new ATOM 0 HB THR A 115 4.098 -7.513 6.564 1.00 4.21 H new ATOM 0 HG1 THR A 115 4.634 -8.584 4.775 1.00 72.15 H new ATOM 0 HG21 THR A 115 2.918 -6.122 4.881 1.00 5.54 H new ATOM 0 HG22 THR A 115 3.460 -5.179 6.290 1.00 5.54 H new ATOM 0 HG23 THR A 115 4.356 -5.082 4.755 1.00 5.54 H new ATOM 1832 N VAL A 116 6.111 -4.004 6.794 1.00 14.32 N ATOM 1833 CA VAL A 116 6.523 -2.633 6.443 1.00 44.52 C ATOM 1834 C VAL A 116 7.939 -2.334 6.964 1.00 33.44 C ATOM 1835 O VAL A 116 8.771 -1.803 6.221 1.00 34.10 O ATOM 1836 CB VAL A 116 5.483 -1.580 6.993 1.00 2.51 C ATOM 1837 CG1 VAL A 116 6.016 -0.130 6.923 1.00 34.32 C ATOM 1838 CG2 VAL A 116 4.129 -1.706 6.244 1.00 1.12 C ATOM 0 H VAL A 116 5.476 -4.046 7.592 1.00 14.32 H new ATOM 0 HA VAL A 116 6.544 -2.552 5.356 1.00 44.52 H new ATOM 0 HB VAL A 116 5.325 -1.808 8.047 1.00 2.51 H new ATOM 0 HG11 VAL A 116 5.262 0.554 7.313 1.00 34.32 H new ATOM 0 HG12 VAL A 116 6.925 -0.047 7.519 1.00 34.32 H new ATOM 0 HG13 VAL A 116 6.237 0.127 5.887 1.00 34.32 H new ATOM 0 HG21 VAL A 116 3.426 -0.972 6.638 1.00 1.12 H new ATOM 0 HG22 VAL A 116 4.284 -1.526 5.180 1.00 1.12 H new ATOM 0 HG23 VAL A 116 3.726 -2.708 6.388 1.00 1.12 H new ATOM 1848 N LYS A 117 8.218 -2.697 8.235 1.00 14.00 N ATOM 1849 CA LYS A 117 9.540 -2.440 8.850 1.00 71.52 C ATOM 1850 C LYS A 117 10.607 -3.376 8.252 1.00 53.52 C ATOM 1851 O LYS A 117 11.786 -3.035 8.241 1.00 51.02 O ATOM 1852 CB LYS A 117 9.491 -2.580 10.398 1.00 14.34 C ATOM 1853 CG LYS A 117 9.357 -4.030 10.923 1.00 41.15 C ATOM 1854 CD LYS A 117 9.128 -4.102 12.447 1.00 41.23 C ATOM 1855 CE LYS A 117 10.305 -3.542 13.259 1.00 23.32 C ATOM 1856 NZ LYS A 117 9.990 -3.495 14.712 1.00 34.45 N ATOM 0 H LYS A 117 7.553 -3.165 8.851 1.00 14.00 H new ATOM 0 HA LYS A 117 9.814 -1.410 8.623 1.00 71.52 H new ATOM 0 HB2 LYS A 117 10.397 -2.141 10.816 1.00 14.34 H new ATOM 0 HB3 LYS A 117 8.651 -1.995 10.774 1.00 14.34 H new ATOM 0 HG2 LYS A 117 8.527 -4.520 10.413 1.00 41.15 H new ATOM 0 HG3 LYS A 117 10.259 -4.587 10.670 1.00 41.15 H new ATOM 0 HD2 LYS A 117 8.224 -3.548 12.699 1.00 41.23 H new ATOM 0 HD3 LYS A 117 8.957 -5.139 12.734 1.00 41.23 H new ATOM 0 HE2 LYS A 117 11.188 -4.161 13.097 1.00 23.32 H new ATOM 0 HE3 LYS A 117 10.548 -2.540 12.906 1.00 23.32 H new ATOM 0 HZ1 LYS A 117 10.805 -3.112 15.232 1.00 34.45 H new ATOM 0 HZ2 LYS A 117 9.162 -2.885 14.868 1.00 34.45 H new ATOM 0 HZ3 LYS A 117 9.782 -4.455 15.053 1.00 34.45 H new ATOM 1870 N ASN A 118 10.169 -4.553 7.749 1.00 32.33 N ATOM 1871 CA ASN A 118 11.051 -5.529 7.072 1.00 74.53 C ATOM 1872 C ASN A 118 11.449 -4.992 5.702 1.00 54.10 C ATOM 1873 O ASN A 118 12.617 -5.107 5.307 1.00 74.25 O ATOM 1874 CB ASN A 118 10.377 -6.929 6.937 1.00 14.35 C ATOM 1875 CG ASN A 118 10.223 -7.658 8.281 1.00 63.14 C ATOM 1876 OD1 ASN A 118 11.014 -7.461 9.204 1.00 30.42 O ATOM 1877 ND2 ASN A 118 9.204 -8.506 8.403 1.00 65.02 N ATOM 0 H ASN A 118 9.195 -4.852 7.801 1.00 32.33 H new ATOM 0 HA ASN A 118 11.942 -5.662 7.685 1.00 74.53 H new ATOM 0 HB2 ASN A 118 9.394 -6.810 6.481 1.00 14.35 H new ATOM 0 HB3 ASN A 118 10.969 -7.547 6.262 1.00 14.35 H new ATOM 0 HD21 ASN A 118 9.063 -9.012 9.278 1.00 65.02 H new ATOM 0 HD22 ASN A 118 8.564 -8.650 7.622 1.00 65.02 H new ATOM 1884 N TYR A 119 10.466 -4.373 5.001 1.00 33.54 N ATOM 1885 CA TYR A 119 10.720 -3.651 3.747 1.00 2.44 C ATOM 1886 C TYR A 119 11.777 -2.564 3.992 1.00 52.21 C ATOM 1887 O TYR A 119 12.881 -2.652 3.459 1.00 52.22 O ATOM 1888 CB TYR A 119 9.413 -3.036 3.162 1.00 21.01 C ATOM 1889 CG TYR A 119 9.626 -2.116 1.934 1.00 4.30 C ATOM 1890 CD1 TYR A 119 10.129 -2.624 0.738 1.00 51.22 C ATOM 1891 CD2 TYR A 119 9.329 -0.749 1.974 1.00 55.24 C ATOM 1892 CE1 TYR A 119 10.325 -1.822 -0.368 1.00 33.55 C ATOM 1893 CE2 TYR A 119 9.522 0.058 0.869 1.00 43.42 C ATOM 1894 CZ TYR A 119 10.023 -0.483 -0.302 1.00 30.32 C ATOM 1895 OH TYR A 119 10.226 0.322 -1.410 1.00 14.30 O ATOM 0 H TYR A 119 9.488 -4.365 5.292 1.00 33.54 H new ATOM 0 HA TYR A 119 11.095 -4.359 3.008 1.00 2.44 H new ATOM 0 HB2 TYR A 119 8.740 -3.846 2.880 1.00 21.01 H new ATOM 0 HB3 TYR A 119 8.914 -2.465 3.945 1.00 21.01 H new ATOM 0 HD1 TYR A 119 10.372 -3.674 0.675 1.00 51.22 H new ATOM 0 HD2 TYR A 119 8.942 -0.317 2.885 1.00 55.24 H new ATOM 0 HE1 TYR A 119 10.714 -2.245 -1.282 1.00 33.55 H new ATOM 0 HE2 TYR A 119 9.282 1.110 0.919 1.00 43.42 H new ATOM 0 HH TYR A 119 10.072 1.259 -1.166 1.00 14.30 H new ATOM 1905 N GLN A 120 11.445 -1.617 4.889 1.00 62.11 N ATOM 1906 CA GLN A 120 12.320 -0.488 5.264 1.00 62.32 C ATOM 1907 C GLN A 120 13.682 -0.971 5.811 1.00 74.14 C ATOM 1908 O GLN A 120 14.706 -0.303 5.623 1.00 60.45 O ATOM 1909 CB GLN A 120 11.613 0.406 6.316 1.00 2.12 C ATOM 1910 CG GLN A 120 10.365 1.149 5.788 1.00 22.32 C ATOM 1911 CD GLN A 120 9.694 2.053 6.831 1.00 12.13 C ATOM 1912 OE1 GLN A 120 9.192 3.199 6.395 1.00 61.11 O flip ATOM 1913 NE2 GLN A 120 9.666 1.743 8.022 1.00 74.13 N flip ATOM 0 H GLN A 120 10.551 -1.613 5.380 1.00 62.11 H new ATOM 0 HA GLN A 120 12.513 0.092 4.362 1.00 62.32 H new ATOM 0 HB2 GLN A 120 11.320 -0.214 7.164 1.00 2.12 H new ATOM 0 HB3 GLN A 120 12.327 1.140 6.690 1.00 2.12 H new ATOM 0 HG2 GLN A 120 10.651 1.754 4.927 1.00 22.32 H new ATOM 0 HG3 GLN A 120 9.639 0.416 5.436 1.00 22.32 H new ATOM 0 HE21 GLN A 120 10.061 0.853 8.327 1.00 74.13 H new ATOM 0 HE22 GLN A 120 9.248 2.376 8.704 1.00 74.13 H new ATOM 1922 N GLY A 121 13.667 -2.164 6.430 1.00 4.31 N ATOM 1923 CA GLY A 121 14.852 -2.776 7.013 1.00 54.42 C ATOM 1924 C GLY A 121 15.893 -3.120 5.967 1.00 54.31 C ATOM 1925 O GLY A 121 17.080 -2.814 6.131 1.00 72.04 O ATOM 0 H GLY A 121 12.823 -2.726 6.535 1.00 4.31 H new ATOM 0 HA2 GLY A 121 15.287 -2.096 7.746 1.00 54.42 H new ATOM 0 HA3 GLY A 121 14.565 -3.681 7.549 1.00 54.42 H new ATOM 1929 N TYR A 122 15.443 -3.736 4.863 1.00 42.22 N ATOM 1930 CA TYR A 122 16.339 -4.122 3.764 1.00 44.21 C ATOM 1931 C TYR A 122 16.569 -2.982 2.755 1.00 74.02 C ATOM 1932 O TYR A 122 17.501 -3.062 1.944 1.00 32.03 O ATOM 1933 CB TYR A 122 15.886 -5.434 3.080 1.00 40.34 C ATOM 1934 CG TYR A 122 14.529 -5.479 2.351 1.00 62.52 C ATOM 1935 CD1 TYR A 122 14.226 -4.625 1.286 1.00 2.24 C ATOM 1936 CD2 TYR A 122 13.582 -6.440 2.683 1.00 11.03 C ATOM 1937 CE1 TYR A 122 13.035 -4.726 0.608 1.00 55.14 C ATOM 1938 CE2 TYR A 122 12.401 -6.550 1.997 1.00 0.31 C ATOM 1939 CZ TYR A 122 12.132 -5.693 0.964 1.00 63.30 C ATOM 1940 OH TYR A 122 10.952 -5.809 0.283 1.00 3.34 O ATOM 0 H TYR A 122 14.464 -3.977 4.708 1.00 42.22 H new ATOM 0 HA TYR A 122 17.311 -4.322 4.215 1.00 44.21 H new ATOM 0 HB2 TYR A 122 16.655 -5.708 2.357 1.00 40.34 H new ATOM 0 HB3 TYR A 122 15.873 -6.213 3.843 1.00 40.34 H new ATOM 0 HD1 TYR A 122 14.942 -3.872 0.991 1.00 2.24 H new ATOM 0 HD2 TYR A 122 13.781 -7.116 3.501 1.00 11.03 H new ATOM 0 HE1 TYR A 122 12.812 -4.047 -0.201 1.00 55.14 H new ATOM 0 HE2 TYR A 122 11.685 -7.310 2.270 1.00 0.31 H new ATOM 0 HH TYR A 122 11.068 -6.425 -0.470 1.00 3.34 H new ATOM 1950 N VAL A 123 15.684 -1.961 2.764 1.00 50.35 N ATOM 1951 CA VAL A 123 15.861 -0.741 1.947 1.00 63.24 C ATOM 1952 C VAL A 123 17.149 -0.018 2.361 1.00 51.34 C ATOM 1953 O VAL A 123 18.019 0.242 1.526 1.00 30.22 O ATOM 1954 CB VAL A 123 14.638 0.251 2.063 1.00 62.12 C ATOM 1955 CG1 VAL A 123 14.963 1.629 1.433 1.00 21.32 C ATOM 1956 CG2 VAL A 123 13.368 -0.342 1.414 1.00 11.21 C ATOM 0 H VAL A 123 14.836 -1.959 3.331 1.00 50.35 H new ATOM 0 HA VAL A 123 15.924 -1.060 0.907 1.00 63.24 H new ATOM 0 HB VAL A 123 14.447 0.396 3.126 1.00 62.12 H new ATOM 0 HG11 VAL A 123 14.099 2.287 1.531 1.00 21.32 H new ATOM 0 HG12 VAL A 123 15.816 2.072 1.947 1.00 21.32 H new ATOM 0 HG13 VAL A 123 15.203 1.499 0.378 1.00 21.32 H new ATOM 0 HG21 VAL A 123 12.545 0.366 1.511 1.00 11.21 H new ATOM 0 HG22 VAL A 123 13.556 -0.537 0.358 1.00 11.21 H new ATOM 0 HG23 VAL A 123 13.105 -1.274 1.914 1.00 11.21 H new ATOM 1966 N GLN A 124 17.265 0.270 3.669 1.00 33.01 N ATOM 1967 CA GLN A 124 18.441 0.959 4.236 1.00 75.43 C ATOM 1968 C GLN A 124 19.696 0.063 4.154 1.00 65.41 C ATOM 1969 O GLN A 124 20.817 0.564 4.184 1.00 12.34 O ATOM 1970 CB GLN A 124 18.158 1.400 5.696 1.00 34.41 C ATOM 1971 CG GLN A 124 17.794 0.244 6.649 1.00 74.34 C ATOM 1972 CD GLN A 124 17.369 0.687 8.051 1.00 71.22 C ATOM 1973 OE1 GLN A 124 16.472 -0.066 8.671 1.00 70.25 O flip ATOM 1974 NE2 GLN A 124 17.835 1.696 8.570 1.00 3.24 N flip ATOM 0 H GLN A 124 16.553 0.034 4.360 1.00 33.01 H new ATOM 0 HA GLN A 124 18.636 1.854 3.645 1.00 75.43 H new ATOM 0 HB2 GLN A 124 19.038 1.913 6.085 1.00 34.41 H new ATOM 0 HB3 GLN A 124 17.343 2.123 5.693 1.00 34.41 H new ATOM 0 HG2 GLN A 124 16.985 -0.336 6.204 1.00 74.34 H new ATOM 0 HG3 GLN A 124 18.653 -0.422 6.737 1.00 74.34 H new ATOM 0 HE21 GLN A 124 18.524 2.256 8.068 1.00 3.24 H new ATOM 0 HE22 GLN A 124 17.533 1.975 9.504 1.00 3.24 H new ATOM 1983 N ASP A 125 19.480 -1.266 4.047 1.00 25.35 N ATOM 1984 CA ASP A 125 20.569 -2.243 3.858 1.00 30.25 C ATOM 1985 C ASP A 125 20.995 -2.302 2.372 1.00 13.13 C ATOM 1986 O ASP A 125 22.154 -2.580 2.065 1.00 40.42 O ATOM 1987 CB ASP A 125 20.096 -3.643 4.326 1.00 11.51 C ATOM 1988 CG ASP A 125 21.211 -4.701 4.290 1.00 74.45 C ATOM 1989 OD1 ASP A 125 21.970 -4.809 5.275 1.00 51.23 O ATOM 1990 OD2 ASP A 125 21.334 -5.419 3.281 1.00 75.24 O ATOM 0 H ASP A 125 18.552 -1.687 4.089 1.00 25.35 H new ATOM 0 HA ASP A 125 21.428 -1.931 4.452 1.00 30.25 H new ATOM 0 HB2 ASP A 125 19.708 -3.568 5.342 1.00 11.51 H new ATOM 0 HB3 ASP A 125 19.271 -3.971 3.693 1.00 11.51 H new ATOM 1995 N GLY A 126 20.048 -1.987 1.471 1.00 54.20 N ATOM 1996 CA GLY A 126 20.283 -2.012 0.025 1.00 44.34 C ATOM 1997 C GLY A 126 20.322 -3.413 -0.587 1.00 24.22 C ATOM 1998 O GLY A 126 20.940 -3.609 -1.632 1.00 70.44 O ATOM 0 H GLY A 126 19.101 -1.709 1.729 1.00 54.20 H new ATOM 0 HA2 GLY A 126 19.500 -1.436 -0.468 1.00 44.34 H new ATOM 0 HA3 GLY A 126 21.228 -1.511 -0.186 1.00 44.34 H new ATOM 2002 N HIS A 127 19.649 -4.379 0.052 1.00 61.42 N ATOM 2003 CA HIS A 127 19.574 -5.772 -0.436 1.00 0.42 C ATOM 2004 C HIS A 127 18.237 -6.370 0.007 1.00 40.51 C ATOM 2005 O HIS A 127 18.050 -6.597 1.198 1.00 22.04 O ATOM 2006 CB HIS A 127 20.766 -6.610 0.122 1.00 2.35 C ATOM 2007 CG HIS A 127 20.796 -8.073 -0.305 1.00 2.20 C ATOM 2008 ND1 HIS A 127 21.626 -8.551 -1.294 1.00 53.20 N ATOM 2009 CD2 HIS A 127 20.117 -9.158 0.151 1.00 73.10 C ATOM 2010 CE1 HIS A 127 21.462 -9.852 -1.423 1.00 22.20 C ATOM 2011 NE2 HIS A 127 20.552 -10.246 -0.560 1.00 22.32 N ATOM 0 H HIS A 127 19.140 -4.222 0.922 1.00 61.42 H new ATOM 0 HA HIS A 127 19.640 -5.788 -1.524 1.00 0.42 H new ATOM 0 HB2 HIS A 127 21.697 -6.139 -0.192 1.00 2.35 H new ATOM 0 HB3 HIS A 127 20.739 -6.568 1.211 1.00 2.35 H new ATOM 0 HD2 HIS A 127 19.371 -9.162 0.931 1.00 73.10 H new ATOM 0 HE1 HIS A 127 21.987 -10.488 -2.121 1.00 22.20 H new ATOM 0 HE2 HIS A 127 20.224 -11.204 -0.439 1.00 22.32 H new ATOM 2020 N ASP A 128 17.330 -6.648 -0.956 1.00 70.22 N ATOM 2021 CA ASP A 128 15.957 -7.101 -0.654 1.00 13.14 C ATOM 2022 C ASP A 128 15.930 -8.556 -0.127 1.00 2.43 C ATOM 2023 O ASP A 128 16.930 -9.279 -0.193 1.00 41.21 O ATOM 2024 CB ASP A 128 15.018 -6.917 -1.882 1.00 24.05 C ATOM 2025 CG ASP A 128 14.996 -8.125 -2.813 1.00 54.14 C ATOM 2026 OD1 ASP A 128 15.933 -8.276 -3.627 1.00 60.23 O ATOM 2027 OD2 ASP A 128 14.062 -8.953 -2.694 1.00 74.31 O ATOM 0 H ASP A 128 17.527 -6.565 -1.953 1.00 70.22 H new ATOM 0 HA ASP A 128 15.577 -6.468 0.148 1.00 13.14 H new ATOM 0 HB2 ASP A 128 14.005 -6.720 -1.530 1.00 24.05 H new ATOM 0 HB3 ASP A 128 15.336 -6.039 -2.445 1.00 24.05 H new ATOM 2032 N HIS A 129 14.747 -8.986 0.347 1.00 53.30 N ATOM 2033 CA HIS A 129 14.557 -10.283 1.039 1.00 14.11 C ATOM 2034 C HIS A 129 13.141 -10.807 0.767 1.00 63.44 C ATOM 2035 O HIS A 129 12.575 -11.549 1.576 1.00 4.11 O ATOM 2036 CB HIS A 129 14.790 -10.133 2.581 1.00 14.44 C ATOM 2037 CG HIS A 129 16.231 -9.963 2.995 1.00 53.42 C ATOM 2038 ND1 HIS A 129 17.065 -11.027 3.248 1.00 34.23 N ATOM 2039 CD2 HIS A 129 16.988 -8.859 3.162 1.00 40.02 C ATOM 2040 CE1 HIS A 129 18.260 -10.580 3.560 1.00 12.20 C ATOM 2041 NE2 HIS A 129 18.236 -9.269 3.510 1.00 12.02 N ATOM 0 H HIS A 129 13.888 -8.443 0.262 1.00 53.30 H new ATOM 0 HA HIS A 129 15.288 -10.995 0.654 1.00 14.11 H new ATOM 0 HB2 HIS A 129 14.222 -9.274 2.937 1.00 14.44 H new ATOM 0 HB3 HIS A 129 14.385 -11.013 3.082 1.00 14.44 H new ATOM 0 HD2 HIS A 129 16.662 -7.837 3.041 1.00 40.02 H new ATOM 0 HE1 HIS A 129 19.116 -11.188 3.814 1.00 12.20 H new ATOM 0 HE2 HIS A 129 19.028 -8.655 3.702 1.00 12.02 H new ATOM 2113 N ASP A 134 16.006 -4.268 -7.271 1.00 62.44 N ATOM 2114 CA ASP A 134 17.184 -3.390 -7.259 1.00 31.01 C ATOM 2115 C ASP A 134 17.123 -2.402 -6.062 1.00 63.41 C ATOM 2116 O ASP A 134 16.055 -1.815 -5.819 1.00 23.05 O ATOM 2117 CB ASP A 134 17.258 -2.567 -8.579 1.00 42.33 C ATOM 2118 CG ASP A 134 16.968 -3.382 -9.846 1.00 63.20 C ATOM 2119 OD1 ASP A 134 17.897 -3.954 -10.450 1.00 13.44 O ATOM 2120 OD2 ASP A 134 15.777 -3.468 -10.226 1.00 70.23 O ATOM 0 HA ASP A 134 18.068 -4.021 -7.164 1.00 31.01 H new ATOM 0 HB2 ASP A 134 16.547 -1.743 -8.520 1.00 42.33 H new ATOM 0 HB3 ASP A 134 18.251 -2.126 -8.664 1.00 42.33 H new ATOM 2125 N PRO A 135 18.255 -2.205 -5.303 1.00 54.31 N ATOM 2126 CA PRO A 135 18.334 -1.201 -4.207 1.00 21.13 C ATOM 2127 C PRO A 135 17.914 0.233 -4.634 1.00 62.23 C ATOM 2128 O PRO A 135 17.462 1.017 -3.794 1.00 23.12 O ATOM 2129 CB PRO A 135 19.823 -1.256 -3.752 1.00 72.21 C ATOM 2130 CG PRO A 135 20.548 -2.081 -4.784 1.00 73.43 C ATOM 2131 CD PRO A 135 19.515 -2.987 -5.411 1.00 51.22 C ATOM 0 HA PRO A 135 17.631 -1.438 -3.408 1.00 21.13 H new ATOM 0 HB2 PRO A 135 20.247 -0.254 -3.687 1.00 72.21 H new ATOM 0 HB3 PRO A 135 19.911 -1.705 -2.763 1.00 72.21 H new ATOM 0 HG2 PRO A 135 21.011 -1.442 -5.536 1.00 73.43 H new ATOM 0 HG3 PRO A 135 21.347 -2.663 -4.324 1.00 73.43 H new ATOM 0 HD2 PRO A 135 19.758 -3.215 -6.449 1.00 51.22 H new ATOM 0 HD3 PRO A 135 19.443 -3.939 -4.884 1.00 51.22 H new ATOM 2139 N LYS A 136 18.036 0.547 -5.945 1.00 62.40 N ATOM 2140 CA LYS A 136 17.665 1.874 -6.500 1.00 23.52 C ATOM 2141 C LYS A 136 16.139 2.137 -6.387 1.00 4.20 C ATOM 2142 O LYS A 136 15.715 3.287 -6.261 1.00 0.25 O ATOM 2143 CB LYS A 136 18.126 2.003 -7.985 1.00 3.14 C ATOM 2144 CG LYS A 136 17.370 1.092 -8.967 1.00 34.21 C ATOM 2145 CD LYS A 136 17.919 1.131 -10.412 1.00 64.23 C ATOM 2146 CE LYS A 136 19.261 0.403 -10.568 1.00 74.01 C ATOM 2147 NZ LYS A 136 19.732 0.406 -11.982 1.00 31.41 N ATOM 0 H LYS A 136 18.391 -0.105 -6.644 1.00 62.40 H new ATOM 0 HA LYS A 136 18.180 2.629 -5.905 1.00 23.52 H new ATOM 0 HB2 LYS A 136 18.004 3.039 -8.302 1.00 3.14 H new ATOM 0 HB3 LYS A 136 19.190 1.775 -8.043 1.00 3.14 H new ATOM 0 HG2 LYS A 136 17.412 0.066 -8.601 1.00 34.21 H new ATOM 0 HG3 LYS A 136 16.319 1.382 -8.981 1.00 34.21 H new ATOM 0 HD2 LYS A 136 17.188 0.681 -11.084 1.00 64.23 H new ATOM 0 HD3 LYS A 136 18.038 2.170 -10.721 1.00 64.23 H new ATOM 0 HE2 LYS A 136 20.009 0.880 -9.935 1.00 74.01 H new ATOM 0 HE3 LYS A 136 19.159 -0.625 -10.221 1.00 74.01 H new ATOM 0 HZ1 LYS A 136 20.641 -0.095 -12.046 1.00 31.41 H new ATOM 0 HZ2 LYS A 136 19.030 -0.072 -12.583 1.00 31.41 H new ATOM 0 HZ3 LYS A 136 19.854 1.387 -12.305 1.00 31.41 H new ATOM 2161 N TYR A 137 15.326 1.061 -6.435 1.00 64.02 N ATOM 2162 CA TYR A 137 13.848 1.149 -6.329 1.00 12.54 C ATOM 2163 C TYR A 137 13.368 0.897 -4.891 1.00 24.10 C ATOM 2164 O TYR A 137 12.190 1.113 -4.583 1.00 53.03 O ATOM 2165 CB TYR A 137 13.169 0.138 -7.283 1.00 3.23 C ATOM 2166 CG TYR A 137 13.450 0.386 -8.769 1.00 12.50 C ATOM 2167 CD1 TYR A 137 12.925 1.503 -9.408 1.00 2.54 C ATOM 2168 CD2 TYR A 137 14.244 -0.481 -9.523 1.00 5.44 C ATOM 2169 CE1 TYR A 137 13.175 1.749 -10.739 1.00 24.42 C ATOM 2170 CE2 TYR A 137 14.500 -0.239 -10.859 1.00 43.23 C ATOM 2171 CZ TYR A 137 13.963 0.877 -11.462 1.00 25.12 C ATOM 2172 OH TYR A 137 14.221 1.136 -12.790 1.00 71.25 O ATOM 0 H TYR A 137 15.671 0.108 -6.548 1.00 64.02 H new ATOM 0 HA TYR A 137 13.566 2.162 -6.615 1.00 12.54 H new ATOM 0 HB2 TYR A 137 13.502 -0.867 -7.025 1.00 3.23 H new ATOM 0 HB3 TYR A 137 12.092 0.169 -7.119 1.00 3.23 H new ATOM 0 HD1 TYR A 137 12.309 2.192 -8.849 1.00 2.54 H new ATOM 0 HD2 TYR A 137 14.666 -1.357 -9.053 1.00 5.44 H new ATOM 0 HE1 TYR A 137 12.755 2.622 -11.216 1.00 24.42 H new ATOM 0 HE2 TYR A 137 15.117 -0.920 -11.427 1.00 43.23 H new ATOM 0 HH TYR A 137 14.792 0.428 -13.156 1.00 71.25 H new ATOM 2182 N LEU A 138 14.268 0.401 -4.031 1.00 61.45 N ATOM 2183 CA LEU A 138 13.977 0.229 -2.605 1.00 14.54 C ATOM 2184 C LEU A 138 13.972 1.611 -1.928 1.00 53.03 C ATOM 2185 O LEU A 138 15.024 2.237 -1.789 1.00 50.25 O ATOM 2186 CB LEU A 138 15.021 -0.713 -1.940 1.00 71.40 C ATOM 2187 CG LEU A 138 15.066 -2.189 -2.454 1.00 64.43 C ATOM 2188 CD1 LEU A 138 16.086 -3.024 -1.641 1.00 0.13 C ATOM 2189 CD2 LEU A 138 13.663 -2.836 -2.450 1.00 73.24 C ATOM 0 H LEU A 138 15.208 0.111 -4.302 1.00 61.45 H new ATOM 0 HA LEU A 138 12.998 -0.234 -2.486 1.00 14.54 H new ATOM 0 HB2 LEU A 138 16.010 -0.275 -2.077 1.00 71.40 H new ATOM 0 HB3 LEU A 138 14.827 -0.732 -0.868 1.00 71.40 H new ATOM 0 HG LEU A 138 15.403 -2.172 -3.491 1.00 64.43 H new ATOM 0 HD11 LEU A 138 16.100 -4.047 -2.016 1.00 0.13 H new ATOM 0 HD12 LEU A 138 17.079 -2.586 -1.744 1.00 0.13 H new ATOM 0 HD13 LEU A 138 15.798 -3.027 -0.590 1.00 0.13 H new ATOM 0 HD21 LEU A 138 13.734 -3.861 -2.813 1.00 73.24 H new ATOM 0 HD22 LEU A 138 13.266 -2.838 -1.435 1.00 73.24 H new ATOM 0 HD23 LEU A 138 12.998 -2.266 -3.099 1.00 73.24 H new ATOM 2201 N HIS A 139 12.778 2.082 -1.530 1.00 61.41 N ATOM 2202 CA HIS A 139 12.591 3.412 -0.918 1.00 72.04 C ATOM 2203 C HIS A 139 11.596 3.302 0.249 1.00 55.55 C ATOM 2204 O HIS A 139 10.455 2.889 0.039 1.00 52.33 O ATOM 2205 CB HIS A 139 12.074 4.423 -1.980 1.00 22.05 C ATOM 2206 CG HIS A 139 11.868 5.816 -1.439 1.00 22.34 C ATOM 2207 ND1 HIS A 139 10.654 6.267 -0.961 1.00 71.11 N ATOM 2208 CD2 HIS A 139 12.730 6.850 -1.302 1.00 42.04 C ATOM 2209 CE1 HIS A 139 10.784 7.514 -0.553 1.00 70.22 C ATOM 2210 NE2 HIS A 139 12.030 7.887 -0.750 1.00 24.01 N ATOM 0 H HIS A 139 11.912 1.551 -1.623 1.00 61.41 H new ATOM 0 HA HIS A 139 13.547 3.773 -0.538 1.00 72.04 H new ATOM 0 HB2 HIS A 139 12.784 4.464 -2.806 1.00 22.05 H new ATOM 0 HB3 HIS A 139 11.132 4.058 -2.388 1.00 22.05 H new ATOM 0 HD2 HIS A 139 13.774 6.855 -1.577 1.00 42.04 H new ATOM 0 HE1 HIS A 139 10.001 8.125 -0.129 1.00 70.22 H new ATOM 0 HE2 HIS A 139 12.414 8.805 -0.526 1.00 24.01 H new ATOM 2219 N GLN A 140 12.036 3.701 1.461 1.00 62.52 N ATOM 2220 CA GLN A 140 11.215 3.615 2.689 1.00 21.21 C ATOM 2221 C GLN A 140 9.975 4.518 2.604 1.00 1.35 C ATOM 2222 O GLN A 140 9.961 5.522 1.881 1.00 1.12 O ATOM 2223 CB GLN A 140 12.030 4.012 3.959 1.00 73.24 C ATOM 2224 CG GLN A 140 13.347 3.236 4.150 1.00 12.10 C ATOM 2225 CD GLN A 140 14.082 3.538 5.460 1.00 32.43 C ATOM 2226 OE1 GLN A 140 13.975 4.629 6.026 1.00 45.11 O ATOM 2227 NE2 GLN A 140 14.858 2.577 5.939 1.00 1.01 N ATOM 0 H GLN A 140 12.966 4.090 1.616 1.00 62.52 H new ATOM 0 HA GLN A 140 10.903 2.574 2.771 1.00 21.21 H new ATOM 0 HB2 GLN A 140 12.256 5.077 3.910 1.00 73.24 H new ATOM 0 HB3 GLN A 140 11.404 3.859 4.838 1.00 73.24 H new ATOM 0 HG2 GLN A 140 13.133 2.168 4.107 1.00 12.10 H new ATOM 0 HG3 GLN A 140 14.011 3.463 3.316 1.00 12.10 H new ATOM 0 HE21 GLN A 140 14.926 1.685 5.449 1.00 1.01 H new ATOM 0 HE22 GLN A 140 15.387 2.729 6.798 1.00 1.01 H new ATOM 2236 N PHE A 141 8.931 4.126 3.341 1.00 3.12 N ATOM 2237 CA PHE A 141 7.760 4.972 3.578 1.00 42.31 C ATOM 2238 C PHE A 141 8.143 6.082 4.575 1.00 14.21 C ATOM 2239 O PHE A 141 8.278 5.815 5.775 1.00 30.42 O ATOM 2240 CB PHE A 141 6.602 4.122 4.143 1.00 13.44 C ATOM 2241 CG PHE A 141 6.239 2.889 3.315 1.00 20.40 C ATOM 2242 CD1 PHE A 141 5.568 3.013 2.104 1.00 2.05 C ATOM 2243 CD2 PHE A 141 6.549 1.604 3.766 1.00 1.23 C ATOM 2244 CE1 PHE A 141 5.219 1.897 1.375 1.00 54.12 C ATOM 2245 CE2 PHE A 141 6.199 0.491 3.036 1.00 1.42 C ATOM 2246 CZ PHE A 141 5.535 0.637 1.836 1.00 21.43 C ATOM 0 H PHE A 141 8.875 3.212 3.790 1.00 3.12 H new ATOM 0 HA PHE A 141 7.432 5.421 2.641 1.00 42.31 H new ATOM 0 HB2 PHE A 141 6.866 3.799 5.150 1.00 13.44 H new ATOM 0 HB3 PHE A 141 5.718 4.754 4.232 1.00 13.44 H new ATOM 0 HD1 PHE A 141 5.317 3.995 1.730 1.00 2.05 H new ATOM 0 HD2 PHE A 141 7.072 1.482 4.703 1.00 1.23 H new ATOM 0 HE1 PHE A 141 4.695 2.010 0.437 1.00 54.12 H new ATOM 0 HE2 PHE A 141 6.444 -0.495 3.402 1.00 1.42 H new ATOM 0 HZ PHE A 141 5.263 -0.234 1.259 1.00 21.43 H new ATOM 2256 N GLU A 142 8.350 7.307 4.071 1.00 71.42 N ATOM 2257 CA GLU A 142 8.917 8.407 4.869 1.00 32.23 C ATOM 2258 C GLU A 142 8.149 9.726 4.628 1.00 43.12 C ATOM 2259 O GLU A 142 8.408 10.461 3.674 1.00 63.31 O ATOM 2260 CB GLU A 142 10.438 8.528 4.552 1.00 24.55 C ATOM 2261 CG GLU A 142 10.782 8.574 3.047 1.00 70.20 C ATOM 2262 CD GLU A 142 12.288 8.561 2.765 1.00 44.31 C ATOM 2263 OE1 GLU A 142 12.920 9.637 2.839 1.00 30.13 O ATOM 2264 OE2 GLU A 142 12.841 7.478 2.463 1.00 42.03 O ATOM 0 H GLU A 142 8.132 7.563 3.108 1.00 71.42 H new ATOM 0 HA GLU A 142 8.806 8.190 5.931 1.00 32.23 H new ATOM 0 HB2 GLU A 142 10.823 9.430 5.027 1.00 24.55 H new ATOM 0 HB3 GLU A 142 10.958 7.683 5.004 1.00 24.55 H new ATOM 0 HG2 GLU A 142 10.320 7.721 2.550 1.00 70.20 H new ATOM 0 HG3 GLU A 142 10.346 9.472 2.610 1.00 70.20 H new ATOM 2271 N GLY A 143 7.175 9.985 5.511 1.00 53.40 N ATOM 2272 CA GLY A 143 6.373 11.212 5.473 1.00 31.52 C ATOM 2273 C GLY A 143 5.407 11.310 6.645 1.00 51.21 C ATOM 2274 O GLY A 143 4.453 12.094 6.600 1.00 70.33 O ATOM 0 H GLY A 143 6.923 9.351 6.269 1.00 53.40 H new ATOM 0 HA2 GLY A 143 7.036 12.077 5.479 1.00 31.52 H new ATOM 0 HA3 GLY A 143 5.812 11.247 4.539 1.00 31.52 H new ATOM 2278 N GLU A 144 5.649 10.475 7.686 1.00 10.41 N ATOM 2279 CA GLU A 144 4.912 10.481 8.976 1.00 51.43 C ATOM 2280 C GLU A 144 3.416 10.113 8.846 1.00 54.01 C ATOM 2281 O GLU A 144 2.676 10.192 9.837 1.00 43.12 O ATOM 2282 CB GLU A 144 5.083 11.845 9.723 1.00 62.05 C ATOM 2283 CG GLU A 144 6.549 12.233 10.028 1.00 13.30 C ATOM 2284 CD GLU A 144 7.324 11.133 10.772 1.00 52.32 C ATOM 2285 OE1 GLU A 144 6.936 10.783 11.903 1.00 61.13 O ATOM 2286 OE2 GLU A 144 8.303 10.598 10.228 1.00 70.30 O ATOM 0 H GLU A 144 6.378 9.763 7.652 1.00 10.41 H new ATOM 0 HA GLU A 144 5.367 9.690 9.572 1.00 51.43 H new ATOM 0 HB2 GLU A 144 4.630 12.633 9.121 1.00 62.05 H new ATOM 0 HB3 GLU A 144 4.530 11.802 10.661 1.00 62.05 H new ATOM 0 HG2 GLU A 144 7.060 12.459 9.092 1.00 13.30 H new ATOM 0 HG3 GLU A 144 6.560 13.144 10.626 1.00 13.30 H new ATOM 2293 N THR A 145 2.975 9.684 7.649 1.00 34.40 N ATOM 2294 CA THR A 145 1.565 9.350 7.388 1.00 34.44 C ATOM 2295 C THR A 145 1.474 8.235 6.335 1.00 0.20 C ATOM 2296 O THR A 145 2.004 8.370 5.233 1.00 61.15 O ATOM 2297 CB THR A 145 0.738 10.599 6.908 1.00 40.50 C ATOM 2298 OG1 THR A 145 0.851 11.668 7.863 1.00 44.13 O ATOM 2299 CG2 THR A 145 -0.756 10.261 6.713 1.00 21.33 C ATOM 0 H THR A 145 3.584 9.560 6.840 1.00 34.40 H new ATOM 0 HA THR A 145 1.134 9.009 8.329 1.00 34.44 H new ATOM 0 HB THR A 145 1.152 10.906 5.947 1.00 40.50 H new ATOM 0 HG1 THR A 145 0.334 12.440 7.552 1.00 44.13 H new ATOM 0 HG21 THR A 145 -1.290 11.151 6.381 1.00 21.33 H new ATOM 0 HG22 THR A 145 -0.857 9.477 5.963 1.00 21.33 H new ATOM 0 HG23 THR A 145 -1.177 9.916 7.657 1.00 21.33 H new ATOM 2307 N PHE A 146 0.808 7.137 6.705 1.00 3.12 N ATOM 2308 CA PHE A 146 0.520 6.012 5.804 1.00 1.40 C ATOM 2309 C PHE A 146 -0.891 6.141 5.216 1.00 11.32 C ATOM 2310 O PHE A 146 -1.796 6.678 5.862 1.00 50.22 O ATOM 2311 CB PHE A 146 0.654 4.665 6.567 1.00 53.25 C ATOM 2312 CG PHE A 146 2.095 4.202 6.755 1.00 63.42 C ATOM 2313 CD1 PHE A 146 2.910 4.742 7.753 1.00 74.22 C ATOM 2314 CD2 PHE A 146 2.637 3.231 5.915 1.00 74.22 C ATOM 2315 CE1 PHE A 146 4.215 4.312 7.910 1.00 5.42 C ATOM 2316 CE2 PHE A 146 3.932 2.805 6.074 1.00 11.04 C ATOM 2317 CZ PHE A 146 4.726 3.345 7.065 1.00 52.11 C ATOM 0 H PHE A 146 0.448 7.001 7.650 1.00 3.12 H new ATOM 0 HA PHE A 146 1.242 6.032 4.988 1.00 1.40 H new ATOM 0 HB2 PHE A 146 0.184 4.765 7.545 1.00 53.25 H new ATOM 0 HB3 PHE A 146 0.103 3.896 6.026 1.00 53.25 H new ATOM 0 HD1 PHE A 146 2.516 5.504 8.409 1.00 74.22 H new ATOM 0 HD2 PHE A 146 2.030 2.808 5.128 1.00 74.22 H new ATOM 0 HE1 PHE A 146 4.833 4.731 8.691 1.00 5.42 H new ATOM 0 HE2 PHE A 146 4.331 2.044 5.420 1.00 11.04 H new ATOM 0 HZ PHE A 146 5.747 3.012 7.180 1.00 52.11 H new ATOM 2327 N TYR A 147 -1.052 5.648 3.979 1.00 13.41 N ATOM 2328 CA TYR A 147 -2.349 5.544 3.289 1.00 31.54 C ATOM 2329 C TYR A 147 -2.552 4.099 2.828 1.00 32.12 C ATOM 2330 O TYR A 147 -1.688 3.532 2.162 1.00 73.42 O ATOM 2331 CB TYR A 147 -2.425 6.513 2.072 1.00 45.34 C ATOM 2332 CG TYR A 147 -2.693 7.979 2.435 1.00 63.24 C ATOM 2333 CD1 TYR A 147 -1.734 8.753 3.079 1.00 73.21 C ATOM 2334 CD2 TYR A 147 -3.906 8.592 2.116 1.00 10.34 C ATOM 2335 CE1 TYR A 147 -1.976 10.070 3.391 1.00 12.43 C ATOM 2336 CE2 TYR A 147 -4.143 9.915 2.431 1.00 20.24 C ATOM 2337 CZ TYR A 147 -3.176 10.649 3.066 1.00 60.25 C ATOM 2338 OH TYR A 147 -3.409 11.976 3.372 1.00 23.41 O ATOM 0 H TYR A 147 -0.272 5.304 3.419 1.00 13.41 H new ATOM 0 HA TYR A 147 -3.140 5.828 3.983 1.00 31.54 H new ATOM 0 HB2 TYR A 147 -1.487 6.455 1.520 1.00 45.34 H new ATOM 0 HB3 TYR A 147 -3.212 6.170 1.400 1.00 45.34 H new ATOM 0 HD1 TYR A 147 -0.783 8.312 3.339 1.00 73.21 H new ATOM 0 HD2 TYR A 147 -4.673 8.021 1.614 1.00 10.34 H new ATOM 0 HE1 TYR A 147 -1.218 10.651 3.894 1.00 12.43 H new ATOM 0 HE2 TYR A 147 -5.089 10.371 2.177 1.00 20.24 H new ATOM 0 HH TYR A 147 -2.603 12.366 3.770 1.00 23.41 H new ATOM 2348 N ILE A 148 -3.699 3.512 3.193 1.00 32.34 N ATOM 2349 CA ILE A 148 -4.049 2.131 2.831 1.00 1.12 C ATOM 2350 C ILE A 148 -5.284 2.146 1.910 1.00 54.44 C ATOM 2351 O ILE A 148 -6.378 2.515 2.331 1.00 60.23 O ATOM 2352 CB ILE A 148 -4.311 1.252 4.114 1.00 70.43 C ATOM 2353 CG1 ILE A 148 -3.039 1.207 5.028 1.00 51.32 C ATOM 2354 CG2 ILE A 148 -4.763 -0.169 3.723 1.00 5.24 C ATOM 2355 CD1 ILE A 148 -3.161 0.336 6.275 1.00 72.13 C ATOM 0 H ILE A 148 -4.413 3.982 3.749 1.00 32.34 H new ATOM 0 HA ILE A 148 -3.210 1.681 2.300 1.00 1.12 H new ATOM 0 HB ILE A 148 -5.117 1.715 4.684 1.00 70.43 H new ATOM 0 HG12 ILE A 148 -2.198 0.847 4.435 1.00 51.32 H new ATOM 0 HG13 ILE A 148 -2.798 2.224 5.338 1.00 51.32 H new ATOM 0 HG21 ILE A 148 -4.938 -0.756 4.625 1.00 5.24 H new ATOM 0 HG22 ILE A 148 -5.684 -0.111 3.144 1.00 5.24 H new ATOM 0 HG23 ILE A 148 -3.987 -0.646 3.124 1.00 5.24 H new ATOM 0 HD11 ILE A 148 -2.228 0.374 6.838 1.00 72.13 H new ATOM 0 HD12 ILE A 148 -3.976 0.705 6.898 1.00 72.13 H new ATOM 0 HD13 ILE A 148 -3.366 -0.693 5.981 1.00 72.13 H new ATOM 2367 N ILE A 149 -5.084 1.764 0.644 1.00 3.32 N ATOM 2368 CA ILE A 149 -6.132 1.793 -0.387 1.00 64.32 C ATOM 2369 C ILE A 149 -6.673 0.371 -0.588 1.00 51.05 C ATOM 2370 O ILE A 149 -5.899 -0.538 -0.869 1.00 4.33 O ATOM 2371 CB ILE A 149 -5.567 2.344 -1.755 1.00 23.13 C ATOM 2372 CG1 ILE A 149 -4.744 3.659 -1.539 1.00 54.24 C ATOM 2373 CG2 ILE A 149 -6.700 2.553 -2.787 1.00 44.31 C ATOM 2374 CD1 ILE A 149 -5.479 4.780 -0.820 1.00 25.51 C ATOM 0 H ILE A 149 -4.185 1.424 0.302 1.00 3.32 H new ATOM 0 HA ILE A 149 -6.931 2.458 -0.058 1.00 64.32 H new ATOM 0 HB ILE A 149 -4.889 1.593 -2.159 1.00 23.13 H new ATOM 0 HG12 ILE A 149 -3.845 3.416 -0.973 1.00 54.24 H new ATOM 0 HG13 ILE A 149 -4.418 4.027 -2.512 1.00 54.24 H new ATOM 0 HG21 ILE A 149 -6.279 2.933 -3.718 1.00 44.31 H new ATOM 0 HG22 ILE A 149 -7.200 1.603 -2.976 1.00 44.31 H new ATOM 0 HG23 ILE A 149 -7.421 3.271 -2.396 1.00 44.31 H new ATOM 0 HD11 ILE A 149 -4.820 5.643 -0.722 1.00 25.51 H new ATOM 0 HD12 ILE A 149 -6.363 5.061 -1.392 1.00 25.51 H new ATOM 0 HD13 ILE A 149 -5.781 4.440 0.171 1.00 25.51 H new ATOM 2386 N GLU A 150 -7.991 0.189 -0.448 1.00 15.23 N ATOM 2387 CA GLU A 150 -8.636 -1.120 -0.611 1.00 21.31 C ATOM 2388 C GLU A 150 -8.613 -1.541 -2.093 1.00 22.51 C ATOM 2389 O GLU A 150 -9.327 -0.971 -2.928 1.00 33.35 O ATOM 2390 CB GLU A 150 -10.087 -1.071 -0.056 1.00 61.11 C ATOM 2391 CG GLU A 150 -10.821 -2.432 -0.062 1.00 72.23 C ATOM 2392 CD GLU A 150 -12.233 -2.366 0.543 1.00 50.32 C ATOM 2393 OE1 GLU A 150 -13.193 -2.061 -0.200 1.00 12.22 O ATOM 2394 OE2 GLU A 150 -12.396 -2.642 1.756 1.00 71.34 O ATOM 0 H GLU A 150 -8.639 0.942 -0.219 1.00 15.23 H new ATOM 0 HA GLU A 150 -8.084 -1.868 -0.042 1.00 21.31 H new ATOM 0 HB2 GLU A 150 -10.059 -0.692 0.966 1.00 61.11 H new ATOM 0 HB3 GLU A 150 -10.664 -0.358 -0.645 1.00 61.11 H new ATOM 0 HG2 GLU A 150 -10.890 -2.795 -1.087 1.00 72.23 H new ATOM 0 HG3 GLU A 150 -10.229 -3.158 0.494 1.00 72.23 H new ATOM 2401 N GLN A 151 -7.754 -2.522 -2.405 1.00 12.01 N ATOM 2402 CA GLN A 151 -7.609 -3.068 -3.758 1.00 14.14 C ATOM 2403 C GLN A 151 -8.454 -4.343 -3.874 1.00 25.14 C ATOM 2404 O GLN A 151 -8.046 -5.419 -3.424 1.00 22.25 O ATOM 2405 CB GLN A 151 -6.115 -3.382 -4.052 1.00 64.31 C ATOM 2406 CG GLN A 151 -5.167 -2.172 -3.953 1.00 50.45 C ATOM 2407 CD GLN A 151 -5.424 -1.083 -5.008 1.00 43.34 C ATOM 2408 OE1 GLN A 151 -5.843 -1.362 -6.132 1.00 64.52 O ATOM 2409 NE2 GLN A 151 -5.169 0.168 -4.654 1.00 51.04 N ATOM 0 H GLN A 151 -7.138 -2.960 -1.720 1.00 12.01 H new ATOM 0 HA GLN A 151 -7.954 -2.335 -4.488 1.00 14.14 H new ATOM 0 HB2 GLN A 151 -5.776 -4.149 -3.355 1.00 64.31 H new ATOM 0 HB3 GLN A 151 -6.038 -3.805 -5.054 1.00 64.31 H new ATOM 0 HG2 GLN A 151 -5.261 -1.731 -2.961 1.00 50.45 H new ATOM 0 HG3 GLN A 151 -4.139 -2.521 -4.050 1.00 50.45 H new ATOM 0 HE21 GLN A 151 -4.823 0.372 -3.717 1.00 51.04 H new ATOM 0 HE22 GLN A 151 -5.319 0.927 -5.319 1.00 51.04 H new ATOM 2418 N ARG A 152 -9.639 -4.205 -4.474 1.00 45.23 N ATOM 2419 CA ARG A 152 -10.555 -5.330 -4.725 1.00 63.02 C ATOM 2420 C ARG A 152 -10.075 -6.159 -5.929 1.00 50.42 C ATOM 2421 O ARG A 152 -9.077 -5.807 -6.578 1.00 22.40 O ATOM 2422 CB ARG A 152 -12.000 -4.784 -4.930 1.00 33.11 C ATOM 2423 CG ARG A 152 -12.659 -4.262 -3.626 1.00 30.13 C ATOM 2424 CD ARG A 152 -13.125 -5.399 -2.704 1.00 31.31 C ATOM 2425 NE ARG A 152 -13.470 -4.910 -1.362 1.00 53.35 N ATOM 2426 CZ ARG A 152 -13.670 -5.687 -0.287 1.00 11.44 C ATOM 2427 NH1 ARG A 152 -13.578 -7.011 -0.372 1.00 25.32 N ATOM 2428 NH2 ARG A 152 -13.919 -5.130 0.883 1.00 21.22 N ATOM 0 H ARG A 152 -9.995 -3.307 -4.802 1.00 45.23 H new ATOM 0 HA ARG A 152 -10.563 -5.997 -3.863 1.00 63.02 H new ATOM 0 HB2 ARG A 152 -11.974 -3.977 -5.662 1.00 33.11 H new ATOM 0 HB3 ARG A 152 -12.622 -5.575 -5.350 1.00 33.11 H new ATOM 0 HG2 ARG A 152 -11.948 -3.633 -3.090 1.00 30.13 H new ATOM 0 HG3 ARG A 152 -13.512 -3.633 -3.881 1.00 30.13 H new ATOM 0 HD2 ARG A 152 -13.992 -5.892 -3.145 1.00 31.31 H new ATOM 0 HD3 ARG A 152 -12.338 -6.149 -2.626 1.00 31.31 H new ATOM 0 HE ARG A 152 -13.565 -3.902 -1.238 1.00 53.35 H new ATOM 0 HH11 ARG A 152 -13.352 -7.450 -1.264 1.00 25.32 H new ATOM 0 HH12 ARG A 152 -13.733 -7.587 0.455 1.00 25.32 H new ATOM 0 HH21 ARG A 152 -13.959 -4.114 0.966 1.00 21.22 H new ATOM 0 HH22 ARG A 152 -14.072 -5.715 1.704 1.00 21.22 H new ATOM 2442 N LEU A 153 -10.784 -7.269 -6.212 1.00 23.30 N ATOM 2443 CA LEU A 153 -10.455 -8.159 -7.341 1.00 54.13 C ATOM 2444 C LEU A 153 -10.581 -7.415 -8.688 1.00 23.31 C ATOM 2445 O LEU A 153 -11.299 -6.419 -8.795 1.00 64.11 O ATOM 2446 CB LEU A 153 -11.368 -9.412 -7.311 1.00 13.12 C ATOM 2447 CG LEU A 153 -11.210 -10.340 -6.064 1.00 20.30 C ATOM 2448 CD1 LEU A 153 -12.273 -11.459 -6.062 1.00 25.23 C ATOM 2449 CD2 LEU A 153 -9.782 -10.923 -5.987 1.00 65.20 C ATOM 0 H LEU A 153 -11.593 -7.571 -5.670 1.00 23.30 H new ATOM 0 HA LEU A 153 -9.419 -8.481 -7.239 1.00 54.13 H new ATOM 0 HB2 LEU A 153 -12.406 -9.083 -7.366 1.00 13.12 H new ATOM 0 HB3 LEU A 153 -11.172 -10.002 -8.206 1.00 13.12 H new ATOM 0 HG LEU A 153 -11.371 -9.733 -5.173 1.00 20.30 H new ATOM 0 HD11 LEU A 153 -12.137 -12.088 -5.182 1.00 25.23 H new ATOM 0 HD12 LEU A 153 -13.268 -11.015 -6.041 1.00 25.23 H new ATOM 0 HD13 LEU A 153 -12.165 -12.065 -6.962 1.00 25.23 H new ATOM 0 HD21 LEU A 153 -9.698 -11.565 -5.110 1.00 65.20 H new ATOM 0 HD22 LEU A 153 -9.578 -11.506 -6.885 1.00 65.20 H new ATOM 0 HD23 LEU A 153 -9.060 -10.110 -5.911 1.00 65.20 H new