USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 758 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 277 CYS SG : rot 160:sc= -4.45! USER MOD Set 1.2: A 325 ASN : amide:sc= -3.05 K(o=-7.5,f=-10!) USER MOD Set 2.1: A 256 ASN : amide:sc= -8.45! C(o=-10!,f=-19!) USER MOD Set 2.2: A 314 THR OG1 : rot -67:sc= -1.67! USER MOD Set 3.1: A 267 ASN : amide:sc= -4.02! C(o=-2.9!,f=-5.3!) USER MOD Set 3.2: A 269 THR OG1 : rot -74:sc= 1.09 USER MOD Set 4.1: A 259 ASN : amide:sc= 0 K(o=-0.18,f=-1.2) USER MOD Set 4.2: A 260 SER OG : rot -67:sc= -0.184! USER MOD Single : A 251 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.12) USER MOD Single : A 255 SER OG : rot 180:sc= 0 USER MOD Single : A 262 HIS : no HE2:sc= -0.746 X(o=-0.75,f=-0.29) USER MOD Single : A 266 TYR OH : rot -139:sc= -1.31 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 270 ASN : amide:sc= -0.0462 X(o=-0.046,f=-0.046) USER MOD Single : A 276 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.18) USER MOD Single : A 278 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 282 SER OG : rot 180:sc= -1.11 USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 292 LYS NZ :NH3+ 151:sc= -0.0916 (180deg=-1) USER MOD Single : A 293 MET CE :methyl 146:sc= -1.48 (180deg=-3.47!) USER MOD Single : A 296 HIS : no HD1:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 301 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0109) USER MOD Single : A 303 GLN : amide:sc= -0.0893 K(o=-0.089,f=-0.88) USER MOD Single : A 304 LYS NZ :NH3+ -170:sc= 0.959 (180deg=0.892) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 318 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 319 TYR OH : rot -63:sc= 0.991 USER MOD Single : A 320 THR OG1 : rot 180:sc= 0 USER MOD Single : A 321 MET CE :methyl 160:sc= -3.72 (180deg=-6.12!) USER MOD Single : A 322 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.00824) USER MOD Single : A 326 GLN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 330 THR OG1 : rot 105:sc= 0.0886 USER MOD Single : A 335 LYS NZ :NH3+ -172:sc= -1.33 (180deg=-1.81) USER MOD Single : A 336 CYS SG : rot -56:sc= -0.0274 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 340 ASN : amide:sc= -0.688 K(o=-0.69,f=-0.15) USER MOD Single : A 343 THR OG1 : rot 2:sc= 1.09 USER MOD Single : A 345 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 249 3.590 -6.727 -1.956 1.00 71.42 N ATOM 43 CA LEU A 249 4.777 -7.561 -1.864 1.00 51.53 C ATOM 44 C LEU A 249 5.233 -7.632 -0.406 1.00 12.05 C ATOM 45 O LEU A 249 5.240 -6.622 0.296 1.00 3.14 O ATOM 46 CB LEU A 249 5.859 -7.059 -2.823 1.00 32.31 C ATOM 47 CG LEU A 249 6.929 -6.153 -2.212 1.00 2.15 C ATOM 48 CD1 LEU A 249 6.292 -5.006 -1.425 1.00 41.53 C ATOM 49 CD2 LEU A 249 7.908 -6.960 -1.356 1.00 33.10 C ATOM 0 HA LEU A 249 4.552 -8.580 -2.178 1.00 51.53 H new ATOM 0 HB2 LEU A 249 6.353 -7.924 -3.266 1.00 32.31 H new ATOM 0 HB3 LEU A 249 5.374 -6.518 -3.635 1.00 32.31 H new ATOM 0 HG LEU A 249 7.503 -5.707 -3.024 1.00 2.15 H new ATOM 0 HD11 LEU A 249 7.075 -4.377 -1.001 1.00 41.53 H new ATOM 0 HD12 LEU A 249 5.668 -4.410 -2.091 1.00 41.53 H new ATOM 0 HD13 LEU A 249 5.678 -5.413 -0.621 1.00 41.53 H new ATOM 0 HD21 LEU A 249 8.658 -6.292 -0.934 1.00 33.10 H new ATOM 0 HD22 LEU A 249 7.365 -7.453 -0.549 1.00 33.10 H new ATOM 0 HD23 LEU A 249 8.399 -7.711 -1.975 1.00 33.10 H new ATOM 61 N LEU A 250 5.602 -8.836 0.007 1.00 10.54 N ATOM 62 CA LEU A 250 6.058 -9.052 1.370 1.00 42.01 C ATOM 63 C LEU A 250 7.463 -9.658 1.343 1.00 74.44 C ATOM 64 O LEU A 250 7.623 -10.849 1.079 1.00 64.03 O ATOM 65 CB LEU A 250 5.042 -9.889 2.149 1.00 73.44 C ATOM 66 CG LEU A 250 5.254 -9.965 3.662 1.00 20.20 C ATOM 67 CD1 LEU A 250 4.137 -9.235 4.410 1.00 75.34 C ATOM 68 CD2 LEU A 250 5.399 -11.417 4.123 1.00 2.22 C ATOM 0 H LEU A 250 5.595 -9.672 -0.578 1.00 10.54 H new ATOM 0 HA LEU A 250 6.129 -8.104 1.903 1.00 42.01 H new ATOM 0 HB2 LEU A 250 4.048 -9.484 1.962 1.00 73.44 H new ATOM 0 HB3 LEU A 250 5.054 -10.903 1.749 1.00 73.44 H new ATOM 0 HG LEU A 250 6.188 -9.456 3.902 1.00 20.20 H new ATOM 0 HD11 LEU A 250 4.312 -9.305 5.484 1.00 75.34 H new ATOM 0 HD12 LEU A 250 4.124 -8.187 4.112 1.00 75.34 H new ATOM 0 HD13 LEU A 250 3.178 -9.693 4.169 1.00 75.34 H new ATOM 0 HD21 LEU A 250 5.549 -11.443 5.202 1.00 2.22 H new ATOM 0 HD22 LEU A 250 4.496 -11.971 3.869 1.00 2.22 H new ATOM 0 HD23 LEU A 250 6.256 -11.872 3.627 1.00 2.22 H new ATOM 80 N HIS A 251 8.444 -8.812 1.619 1.00 55.10 N ATOM 81 CA HIS A 251 9.829 -9.249 1.629 1.00 21.54 C ATOM 82 C HIS A 251 10.070 -10.163 2.833 1.00 74.22 C ATOM 83 O HIS A 251 9.798 -9.782 3.970 1.00 22.13 O ATOM 84 CB HIS A 251 10.778 -8.050 1.597 1.00 51.32 C ATOM 85 CG HIS A 251 11.147 -7.596 0.204 1.00 15.15 C ATOM 86 ND1 HIS A 251 11.449 -6.280 -0.100 1.00 22.14 N ATOM 87 CD2 HIS A 251 11.259 -8.296 -0.961 1.00 32.13 C ATOM 88 CE1 HIS A 251 11.728 -6.203 -1.392 1.00 65.24 C ATOM 89 NE2 HIS A 251 11.609 -7.454 -1.924 1.00 44.54 N ATOM 0 H HIS A 251 8.307 -7.825 1.838 1.00 55.10 H new ATOM 0 HA HIS A 251 10.037 -9.828 0.729 1.00 21.54 H new ATOM 0 HB2 HIS A 251 10.315 -7.219 2.128 1.00 51.32 H new ATOM 0 HB3 HIS A 251 11.689 -8.306 2.138 1.00 51.32 H new ATOM 0 HD2 HIS A 251 11.091 -9.356 -1.079 1.00 32.13 H new ATOM 0 HE1 HIS A 251 12.002 -5.308 -1.930 1.00 65.24 H new ATOM 0 HE2 HIS A 251 11.764 -7.701 -2.901 1.00 44.54 H new ATOM 97 N VAL A 252 10.576 -11.352 2.540 1.00 4.05 N ATOM 98 CA VAL A 252 10.857 -12.323 3.584 1.00 33.23 C ATOM 99 C VAL A 252 12.319 -12.763 3.487 1.00 51.34 C ATOM 100 O VAL A 252 12.869 -12.864 2.391 1.00 53.31 O ATOM 101 CB VAL A 252 9.874 -13.492 3.489 1.00 14.23 C ATOM 102 CG1 VAL A 252 10.139 -14.522 4.589 1.00 72.12 C ATOM 103 CG2 VAL A 252 8.427 -12.997 3.539 1.00 12.52 C ATOM 0 H VAL A 252 10.799 -11.665 1.595 1.00 4.05 H new ATOM 0 HA VAL A 252 10.717 -11.876 4.568 1.00 33.23 H new ATOM 0 HB VAL A 252 10.028 -13.982 2.527 1.00 14.23 H new ATOM 0 HG11 VAL A 252 9.427 -15.342 4.499 1.00 72.12 H new ATOM 0 HG12 VAL A 252 11.153 -14.909 4.488 1.00 72.12 H new ATOM 0 HG13 VAL A 252 10.026 -14.049 5.565 1.00 72.12 H new ATOM 0 HG21 VAL A 252 7.749 -13.848 3.470 1.00 12.52 H new ATOM 0 HG22 VAL A 252 8.255 -12.471 4.478 1.00 12.52 H new ATOM 0 HG23 VAL A 252 8.245 -12.319 2.705 1.00 12.52 H new ATOM 113 N GLU A 253 12.907 -13.012 4.647 1.00 22.42 N ATOM 114 CA GLU A 253 14.295 -13.439 4.706 1.00 0.24 C ATOM 115 C GLU A 253 14.387 -14.877 5.221 1.00 1.43 C ATOM 116 O GLU A 253 13.942 -15.173 6.329 1.00 3.42 O ATOM 117 CB GLU A 253 15.123 -12.491 5.576 1.00 2.11 C ATOM 118 CG GLU A 253 16.579 -12.955 5.661 1.00 74.21 C ATOM 119 CD GLU A 253 17.523 -11.767 5.850 1.00 2.44 C ATOM 120 OE1 GLU A 253 17.099 -10.709 6.340 1.00 74.32 O ATOM 121 OE2 GLU A 253 18.739 -11.970 5.470 1.00 72.12 O ATOM 0 H GLU A 253 12.448 -12.926 5.554 1.00 22.42 H new ATOM 0 HA GLU A 253 14.708 -13.408 3.698 1.00 0.24 H new ATOM 0 HB2 GLU A 253 15.082 -11.483 5.162 1.00 2.11 H new ATOM 0 HB3 GLU A 253 14.694 -12.442 6.577 1.00 2.11 H new ATOM 0 HG2 GLU A 253 16.694 -13.651 6.492 1.00 74.21 H new ATOM 0 HG3 GLU A 253 16.846 -13.495 4.753 1.00 74.21 H new ATOM 129 N VAL A 254 14.967 -15.732 4.392 1.00 23.15 N ATOM 130 CA VAL A 254 15.123 -17.132 4.750 1.00 4.22 C ATOM 131 C VAL A 254 16.604 -17.428 4.999 1.00 73.12 C ATOM 132 O VAL A 254 17.362 -17.653 4.057 1.00 42.41 O ATOM 133 CB VAL A 254 14.510 -18.020 3.666 1.00 33.44 C ATOM 134 CG1 VAL A 254 14.615 -19.499 4.045 1.00 11.02 C ATOM 135 CG2 VAL A 254 13.057 -17.627 3.392 1.00 11.52 C ATOM 0 H VAL A 254 15.335 -15.483 3.474 1.00 23.15 H new ATOM 0 HA VAL A 254 14.588 -17.353 5.673 1.00 4.22 H new ATOM 0 HB VAL A 254 15.077 -17.868 2.748 1.00 33.44 H new ATOM 0 HG11 VAL A 254 14.172 -20.109 3.258 1.00 11.02 H new ATOM 0 HG12 VAL A 254 15.664 -19.770 4.167 1.00 11.02 H new ATOM 0 HG13 VAL A 254 14.084 -19.673 4.981 1.00 11.02 H new ATOM 0 HG21 VAL A 254 12.645 -18.274 2.617 1.00 11.52 H new ATOM 0 HG22 VAL A 254 12.472 -17.736 4.305 1.00 11.52 H new ATOM 0 HG23 VAL A 254 13.017 -16.590 3.058 1.00 11.52 H new ATOM 145 N SER A 255 16.970 -17.419 6.272 1.00 64.11 N ATOM 146 CA SER A 255 18.346 -17.684 6.656 1.00 24.24 C ATOM 147 C SER A 255 18.700 -19.144 6.363 1.00 51.53 C ATOM 148 O SER A 255 19.472 -19.427 5.448 1.00 31.11 O ATOM 149 CB SER A 255 18.575 -17.370 8.136 1.00 30.11 C ATOM 150 OG SER A 255 19.915 -16.957 8.394 1.00 75.45 O ATOM 0 H SER A 255 16.338 -17.232 7.051 1.00 64.11 H new ATOM 0 HA SER A 255 18.995 -17.034 6.069 1.00 24.24 H new ATOM 0 HB2 SER A 255 17.887 -16.585 8.451 1.00 30.11 H new ATOM 0 HB3 SER A 255 18.346 -18.253 8.733 1.00 30.11 H new ATOM 0 HG SER A 255 20.020 -16.764 9.349 1.00 75.45 H new ATOM 156 N ASN A 256 18.118 -20.031 7.156 1.00 71.12 N ATOM 157 CA ASN A 256 18.362 -21.454 6.992 1.00 32.24 C ATOM 158 C ASN A 256 19.810 -21.766 7.374 1.00 63.11 C ATOM 159 O ASN A 256 20.605 -22.172 6.528 1.00 60.53 O ATOM 160 CB ASN A 256 18.152 -21.886 5.540 1.00 41.33 C ATOM 161 CG ASN A 256 17.739 -23.357 5.459 1.00 50.42 C ATOM 162 OD1 ASN A 256 16.671 -23.703 4.982 1.00 53.12 O ATOM 163 ND2 ASN A 256 18.642 -24.200 5.950 1.00 3.02 N ATOM 0 H ASN A 256 17.478 -19.792 7.914 1.00 71.12 H new ATOM 0 HA ASN A 256 17.662 -21.992 7.632 1.00 32.24 H new ATOM 0 HB2 ASN A 256 17.385 -21.264 5.079 1.00 41.33 H new ATOM 0 HB3 ASN A 256 19.071 -21.731 4.974 1.00 41.33 H new ATOM 0 HD21 ASN A 256 18.460 -25.204 5.942 1.00 3.02 H new ATOM 0 HD22 ASN A 256 19.517 -23.843 6.335 1.00 3.02 H new ATOM 170 N GLU A 257 20.109 -21.564 8.649 1.00 45.03 N ATOM 171 CA GLU A 257 21.448 -21.819 9.153 1.00 44.54 C ATOM 172 C GLU A 257 21.481 -23.135 9.931 1.00 20.23 C ATOM 173 O GLU A 257 20.435 -23.675 10.289 1.00 62.02 O ATOM 174 CB GLU A 257 21.938 -20.657 10.019 1.00 1.22 C ATOM 175 CG GLU A 257 20.819 -20.138 10.924 1.00 53.41 C ATOM 176 CD GLU A 257 21.363 -19.151 11.959 1.00 63.11 C ATOM 177 OE1 GLU A 257 22.465 -19.355 12.490 1.00 42.11 O ATOM 178 OE2 GLU A 257 20.599 -18.142 12.205 1.00 14.22 O ATOM 0 H GLU A 257 19.447 -21.227 9.348 1.00 45.03 H new ATOM 0 HA GLU A 257 22.125 -21.906 8.303 1.00 44.54 H new ATOM 0 HB2 GLU A 257 22.781 -20.983 10.628 1.00 1.22 H new ATOM 0 HB3 GLU A 257 22.298 -19.850 9.381 1.00 1.22 H new ATOM 0 HG2 GLU A 257 20.054 -19.651 10.319 1.00 53.41 H new ATOM 0 HG3 GLU A 257 20.339 -20.975 11.432 1.00 53.41 H new ATOM 186 N ASP A 258 22.693 -23.614 10.171 1.00 31.01 N ATOM 187 CA ASP A 258 22.875 -24.857 10.901 1.00 64.22 C ATOM 188 C ASP A 258 22.007 -24.836 12.161 1.00 65.24 C ATOM 189 O ASP A 258 21.173 -25.718 12.359 1.00 62.13 O ATOM 190 CB ASP A 258 24.332 -25.033 11.333 1.00 24.04 C ATOM 191 CG ASP A 258 24.543 -25.959 12.533 1.00 5.42 C ATOM 192 OD1 ASP A 258 24.596 -25.507 13.687 1.00 50.12 O ATOM 193 OD2 ASP A 258 24.658 -27.210 12.243 1.00 71.33 O ATOM 0 H ASP A 258 23.558 -23.164 9.873 1.00 31.01 H new ATOM 0 HA ASP A 258 22.592 -25.679 10.243 1.00 64.22 H new ATOM 0 HB2 ASP A 258 24.901 -25.422 10.489 1.00 24.04 H new ATOM 0 HB3 ASP A 258 24.745 -24.053 11.572 1.00 24.04 H new ATOM 199 N ASN A 259 22.234 -23.820 12.980 1.00 52.34 N ATOM 200 CA ASN A 259 21.483 -23.672 14.215 1.00 71.22 C ATOM 201 C ASN A 259 20.018 -24.036 13.963 1.00 42.54 C ATOM 202 O ASN A 259 19.503 -24.991 14.541 1.00 25.21 O ATOM 203 CB ASN A 259 21.532 -22.229 14.720 1.00 13.01 C ATOM 204 CG ASN A 259 21.355 -22.173 16.239 1.00 63.51 C ATOM 205 OD1 ASN A 259 20.569 -22.898 16.825 1.00 34.54 O ATOM 206 ND2 ASN A 259 22.129 -21.275 16.841 1.00 42.22 N ATOM 0 H ASN A 259 22.927 -23.091 12.813 1.00 52.34 H new ATOM 0 HA ASN A 259 21.928 -24.330 14.961 1.00 71.22 H new ATOM 0 HB2 ASN A 259 22.484 -21.776 14.444 1.00 13.01 H new ATOM 0 HB3 ASN A 259 20.749 -21.644 14.237 1.00 13.01 H new ATOM 0 HD21 ASN A 259 22.086 -21.162 17.854 1.00 42.22 H new ATOM 0 HD22 ASN A 259 22.766 -20.699 16.290 1.00 42.22 H new ATOM 213 N SER A 260 19.388 -23.254 13.098 1.00 3.42 N ATOM 214 CA SER A 260 17.993 -23.481 12.762 1.00 30.02 C ATOM 215 C SER A 260 17.564 -22.533 11.641 1.00 74.14 C ATOM 216 O SER A 260 18.404 -21.995 10.922 1.00 43.11 O ATOM 217 CB SER A 260 17.094 -23.296 13.987 1.00 45.14 C ATOM 218 OG SER A 260 17.824 -23.407 15.206 1.00 71.42 O ATOM 0 H SER A 260 19.818 -22.462 12.620 1.00 3.42 H new ATOM 0 HA SER A 260 17.887 -24.510 12.419 1.00 30.02 H new ATOM 0 HB2 SER A 260 16.613 -22.319 13.940 1.00 45.14 H new ATOM 0 HB3 SER A 260 16.300 -24.043 13.970 1.00 45.14 H new ATOM 0 HG SER A 260 18.145 -24.327 15.313 1.00 71.42 H new ATOM 224 N LEU A 261 16.255 -22.358 11.526 1.00 44.21 N ATOM 225 CA LEU A 261 15.704 -21.484 10.504 1.00 61.20 C ATOM 226 C LEU A 261 15.495 -20.087 11.092 1.00 72.30 C ATOM 227 O LEU A 261 15.812 -19.846 12.256 1.00 50.24 O ATOM 228 CB LEU A 261 14.436 -22.095 9.904 1.00 62.12 C ATOM 229 CG LEU A 261 14.649 -23.117 8.785 1.00 52.00 C ATOM 230 CD1 LEU A 261 13.341 -23.830 8.438 1.00 34.43 C ATOM 231 CD2 LEU A 261 15.287 -22.462 7.558 1.00 21.14 C ATOM 0 H LEU A 261 15.561 -22.807 12.124 1.00 44.21 H new ATOM 0 HA LEU A 261 16.403 -21.379 9.674 1.00 61.20 H new ATOM 0 HB2 LEU A 261 13.873 -22.575 10.705 1.00 62.12 H new ATOM 0 HB3 LEU A 261 13.815 -21.287 9.518 1.00 62.12 H new ATOM 0 HG LEU A 261 15.345 -23.876 9.143 1.00 52.00 H new ATOM 0 HD11 LEU A 261 13.520 -24.551 7.640 1.00 34.43 H new ATOM 0 HD12 LEU A 261 12.965 -24.350 9.319 1.00 34.43 H new ATOM 0 HD13 LEU A 261 12.604 -23.098 8.107 1.00 34.43 H new ATOM 0 HD21 LEU A 261 15.427 -23.210 6.778 1.00 21.14 H new ATOM 0 HD22 LEU A 261 14.636 -21.670 7.188 1.00 21.14 H new ATOM 0 HD23 LEU A 261 16.253 -22.039 7.833 1.00 21.14 H new ATOM 243 N HIS A 262 14.962 -19.204 10.261 1.00 42.14 N ATOM 244 CA HIS A 262 14.707 -17.837 10.684 1.00 72.45 C ATOM 245 C HIS A 262 14.024 -17.069 9.550 1.00 3.54 C ATOM 246 O HIS A 262 14.672 -16.685 8.577 1.00 32.24 O ATOM 247 CB HIS A 262 15.996 -17.167 11.163 1.00 71.14 C ATOM 248 CG HIS A 262 15.782 -16.111 12.220 1.00 4.42 C ATOM 249 ND1 HIS A 262 16.720 -15.133 12.504 1.00 65.32 N ATOM 250 CD2 HIS A 262 14.729 -15.888 13.058 1.00 23.31 C ATOM 251 CE1 HIS A 262 16.243 -14.364 13.471 1.00 44.20 C ATOM 252 NE2 HIS A 262 15.010 -14.834 13.814 1.00 55.45 N ATOM 0 H HIS A 262 14.700 -19.408 9.297 1.00 42.14 H new ATOM 0 HA HIS A 262 14.028 -17.836 11.537 1.00 72.45 H new ATOM 0 HB2 HIS A 262 16.666 -17.931 11.558 1.00 71.14 H new ATOM 0 HB3 HIS A 262 16.498 -16.714 10.308 1.00 71.14 H new ATOM 0 HD1 HIS A 262 17.625 -15.023 12.046 1.00 65.32 H new ATOM 0 HD2 HIS A 262 13.820 -16.471 13.099 1.00 23.31 H new ATOM 0 HE1 HIS A 262 16.743 -13.514 13.911 1.00 44.20 H new ATOM 260 N PHE A 263 12.725 -16.866 9.714 1.00 23.14 N ATOM 261 CA PHE A 263 11.948 -16.150 8.717 1.00 12.25 C ATOM 262 C PHE A 263 11.495 -14.788 9.249 1.00 21.53 C ATOM 263 O PHE A 263 10.485 -14.695 9.945 1.00 3.53 O ATOM 264 CB PHE A 263 10.714 -17.002 8.416 1.00 74.22 C ATOM 265 CG PHE A 263 11.012 -18.264 7.603 1.00 23.05 C ATOM 266 CD1 PHE A 263 11.537 -19.359 8.216 1.00 2.13 C ATOM 267 CD2 PHE A 263 10.753 -18.291 6.269 1.00 51.33 C ATOM 268 CE1 PHE A 263 11.814 -20.530 7.462 1.00 4.24 C ATOM 269 CE2 PHE A 263 11.030 -19.462 5.515 1.00 42.32 C ATOM 270 CZ PHE A 263 11.555 -20.557 6.128 1.00 41.54 C ATOM 0 H PHE A 263 12.191 -17.185 10.523 1.00 23.14 H new ATOM 0 HA PHE A 263 12.552 -15.980 7.826 1.00 12.25 H new ATOM 0 HB2 PHE A 263 10.246 -17.291 9.357 1.00 74.22 H new ATOM 0 HB3 PHE A 263 9.990 -16.395 7.873 1.00 74.22 H new ATOM 0 HD1 PHE A 263 11.743 -19.338 9.276 1.00 2.13 H new ATOM 0 HD2 PHE A 263 10.336 -17.422 5.782 1.00 51.33 H new ATOM 0 HE1 PHE A 263 12.231 -21.399 7.949 1.00 4.24 H new ATOM 0 HE2 PHE A 263 10.824 -19.483 4.455 1.00 42.32 H new ATOM 0 HZ PHE A 263 11.766 -21.448 5.555 1.00 41.54 H new ATOM 280 N ILE A 264 12.264 -13.767 8.901 1.00 23.43 N ATOM 281 CA ILE A 264 11.955 -12.416 9.335 1.00 41.51 C ATOM 282 C ILE A 264 11.086 -11.732 8.278 1.00 51.33 C ATOM 283 O ILE A 264 11.583 -11.325 7.228 1.00 32.54 O ATOM 284 CB ILE A 264 13.239 -11.651 9.663 1.00 22.35 C ATOM 285 CG1 ILE A 264 14.084 -12.413 10.687 1.00 61.14 C ATOM 286 CG2 ILE A 264 12.926 -10.227 10.125 1.00 4.43 C ATOM 287 CD1 ILE A 264 15.448 -11.747 10.876 1.00 44.01 C ATOM 0 H ILE A 264 13.101 -13.849 8.323 1.00 23.43 H new ATOM 0 HA ILE A 264 11.378 -12.436 10.260 1.00 41.51 H new ATOM 0 HB ILE A 264 13.831 -11.571 8.752 1.00 22.35 H new ATOM 0 HG12 ILE A 264 13.559 -12.451 11.641 1.00 61.14 H new ATOM 0 HG13 ILE A 264 14.221 -13.443 10.357 1.00 61.14 H new ATOM 0 HG21 ILE A 264 13.856 -9.705 10.352 1.00 4.43 H new ATOM 0 HG22 ILE A 264 12.396 -9.696 9.334 1.00 4.43 H new ATOM 0 HG23 ILE A 264 12.303 -10.263 11.019 1.00 4.43 H new ATOM 0 HD11 ILE A 264 16.028 -12.308 11.608 1.00 44.01 H new ATOM 0 HD12 ILE A 264 15.981 -11.732 9.925 1.00 44.01 H new ATOM 0 HD13 ILE A 264 15.308 -10.725 11.229 1.00 44.01 H new ATOM 299 N LEU A 265 9.803 -11.626 8.591 1.00 51.41 N ATOM 300 CA LEU A 265 8.860 -10.998 7.681 1.00 72.01 C ATOM 301 C LEU A 265 8.793 -9.498 7.977 1.00 31.41 C ATOM 302 O LEU A 265 8.608 -9.096 9.125 1.00 73.43 O ATOM 303 CB LEU A 265 7.502 -11.699 7.749 1.00 72.50 C ATOM 304 CG LEU A 265 7.539 -13.210 7.988 1.00 75.32 C ATOM 305 CD1 LEU A 265 6.301 -13.674 8.758 1.00 12.23 C ATOM 306 CD2 LEU A 265 7.711 -13.970 6.671 1.00 45.42 C ATOM 0 H LEU A 265 9.394 -11.964 9.462 1.00 51.41 H new ATOM 0 HA LEU A 265 9.197 -11.105 6.650 1.00 72.01 H new ATOM 0 HB2 LEU A 265 6.917 -11.239 8.546 1.00 72.50 H new ATOM 0 HB3 LEU A 265 6.971 -11.512 6.816 1.00 72.50 H new ATOM 0 HG LEU A 265 8.408 -13.436 8.607 1.00 75.32 H new ATOM 0 HD11 LEU A 265 6.352 -14.751 8.914 1.00 12.23 H new ATOM 0 HD12 LEU A 265 6.262 -13.169 9.723 1.00 12.23 H new ATOM 0 HD13 LEU A 265 5.405 -13.433 8.186 1.00 12.23 H new ATOM 0 HD21 LEU A 265 7.734 -15.042 6.870 1.00 45.42 H new ATOM 0 HD22 LEU A 265 6.877 -13.742 6.008 1.00 45.42 H new ATOM 0 HD23 LEU A 265 8.645 -13.669 6.196 1.00 45.42 H new ATOM 318 N TYR A 266 8.947 -8.712 6.922 1.00 4.11 N ATOM 319 CA TYR A 266 8.907 -7.266 7.055 1.00 52.54 C ATOM 320 C TYR A 266 7.738 -6.675 6.264 1.00 52.04 C ATOM 321 O TYR A 266 7.807 -6.559 5.041 1.00 13.30 O ATOM 322 CB TYR A 266 10.220 -6.751 6.462 1.00 50.22 C ATOM 323 CG TYR A 266 11.452 -7.548 6.893 1.00 22.40 C ATOM 324 CD1 TYR A 266 12.107 -7.227 8.065 1.00 41.05 C ATOM 325 CD2 TYR A 266 11.909 -8.589 6.110 1.00 21.44 C ATOM 326 CE1 TYR A 266 13.267 -7.978 8.470 1.00 11.34 C ATOM 327 CE2 TYR A 266 13.069 -9.340 6.516 1.00 30.22 C ATOM 328 CZ TYR A 266 13.691 -8.997 7.676 1.00 33.22 C ATOM 329 OH TYR A 266 14.786 -9.706 8.060 1.00 61.25 O ATOM 0 H TYR A 266 9.100 -9.049 5.971 1.00 4.11 H new ATOM 0 HA TYR A 266 8.779 -6.980 8.099 1.00 52.54 H new ATOM 0 HB2 TYR A 266 10.149 -6.772 5.375 1.00 50.22 H new ATOM 0 HB3 TYR A 266 10.354 -5.709 6.753 1.00 50.22 H new ATOM 0 HD1 TYR A 266 11.750 -6.413 8.678 1.00 41.05 H new ATOM 0 HD2 TYR A 266 11.397 -8.840 5.193 1.00 21.44 H new ATOM 0 HE1 TYR A 266 13.789 -7.737 9.384 1.00 11.34 H new ATOM 0 HE2 TYR A 266 13.437 -10.157 5.913 1.00 30.22 H new ATOM 0 HH TYR A 266 15.344 -9.896 7.277 1.00 61.25 H new ATOM 339 N ASN A 267 6.692 -6.318 6.994 1.00 55.44 N ATOM 340 CA ASN A 267 5.509 -5.742 6.375 1.00 22.05 C ATOM 341 C ASN A 267 5.899 -4.462 5.633 1.00 12.05 C ATOM 342 O ASN A 267 6.175 -3.438 6.257 1.00 24.51 O ATOM 343 CB ASN A 267 4.460 -5.378 7.427 1.00 13.24 C ATOM 344 CG ASN A 267 3.166 -4.896 6.768 1.00 60.25 C ATOM 345 OD1 ASN A 267 2.557 -5.581 5.962 1.00 43.01 O ATOM 346 ND2 ASN A 267 2.782 -3.683 7.153 1.00 54.33 N ATOM 0 H ASN A 267 6.638 -6.416 8.008 1.00 55.44 H new ATOM 0 HA ASN A 267 5.092 -6.481 5.691 1.00 22.05 H new ATOM 0 HB2 ASN A 267 4.252 -6.245 8.053 1.00 13.24 H new ATOM 0 HB3 ASN A 267 4.851 -4.599 8.081 1.00 13.24 H new ATOM 0 HD21 ASN A 267 1.931 -3.272 6.770 1.00 54.33 H new ATOM 0 HD22 ASN A 267 3.338 -3.163 7.832 1.00 54.33 H new ATOM 353 N LYS A 268 5.908 -4.561 4.312 1.00 21.43 N ATOM 354 CA LYS A 268 6.259 -3.424 3.479 1.00 63.23 C ATOM 355 C LYS A 268 4.982 -2.789 2.926 1.00 11.54 C ATOM 356 O LYS A 268 5.018 -1.687 2.381 1.00 44.24 O ATOM 357 CB LYS A 268 7.257 -3.841 2.396 1.00 75.31 C ATOM 358 CG LYS A 268 8.631 -4.135 3.000 1.00 21.02 C ATOM 359 CD LYS A 268 9.470 -2.859 3.101 1.00 72.34 C ATOM 360 CE LYS A 268 9.163 -2.102 4.394 1.00 50.20 C ATOM 361 NZ LYS A 268 10.339 -1.313 4.824 1.00 23.32 N ATOM 0 H LYS A 268 5.678 -5.411 3.798 1.00 21.43 H new ATOM 0 HA LYS A 268 6.765 -2.661 4.070 1.00 63.23 H new ATOM 0 HB2 LYS A 268 6.887 -4.725 1.877 1.00 75.31 H new ATOM 0 HB3 LYS A 268 7.345 -3.049 1.653 1.00 75.31 H new ATOM 0 HG2 LYS A 268 8.510 -4.575 3.990 1.00 21.02 H new ATOM 0 HG3 LYS A 268 9.152 -4.870 2.386 1.00 21.02 H new ATOM 0 HD2 LYS A 268 10.530 -3.113 3.067 1.00 72.34 H new ATOM 0 HD3 LYS A 268 9.268 -2.218 2.243 1.00 72.34 H new ATOM 0 HE2 LYS A 268 8.310 -1.441 4.242 1.00 50.20 H new ATOM 0 HE3 LYS A 268 8.884 -2.807 5.177 1.00 50.20 H new ATOM 0 HZ1 LYS A 268 10.114 -0.805 5.703 1.00 23.32 H new ATOM 0 HZ2 LYS A 268 11.144 -1.951 4.989 1.00 23.32 H new ATOM 0 HZ3 LYS A 268 10.587 -0.628 4.082 1.00 23.32 H new ATOM 374 N THR A 269 3.883 -3.510 3.087 1.00 35.22 N ATOM 375 CA THR A 269 2.596 -3.031 2.611 1.00 1.45 C ATOM 376 C THR A 269 2.088 -1.894 3.501 1.00 23.44 C ATOM 377 O THR A 269 2.589 -1.696 4.607 1.00 30.13 O ATOM 378 CB THR A 269 1.641 -4.224 2.546 1.00 63.21 C ATOM 379 OG1 THR A 269 1.281 -4.455 3.905 1.00 72.40 O ATOM 380 CG2 THR A 269 2.345 -5.515 2.123 1.00 45.15 C ATOM 0 H THR A 269 3.857 -4.423 3.541 1.00 35.22 H new ATOM 0 HA THR A 269 2.678 -2.607 1.610 1.00 1.45 H new ATOM 0 HB THR A 269 0.834 -4.005 1.847 1.00 63.21 H new ATOM 0 HG1 THR A 269 2.032 -4.873 4.376 1.00 72.40 H new ATOM 0 HG21 THR A 269 1.622 -6.330 2.093 1.00 45.15 H new ATOM 0 HG22 THR A 269 2.784 -5.383 1.134 1.00 45.15 H new ATOM 0 HG23 THR A 269 3.131 -5.753 2.840 1.00 45.15 H new ATOM 388 N ASN A 270 1.101 -1.178 2.985 1.00 15.15 N ATOM 389 CA ASN A 270 0.519 -0.067 3.719 1.00 4.35 C ATOM 390 C ASN A 270 -0.218 -0.603 4.948 1.00 3.34 C ATOM 391 O ASN A 270 0.117 -0.252 6.079 1.00 31.41 O ATOM 392 CB ASN A 270 -0.490 0.695 2.858 1.00 63.11 C ATOM 393 CG ASN A 270 0.113 1.058 1.499 1.00 1.45 C ATOM 394 OD1 ASN A 270 -0.226 0.497 0.471 1.00 41.24 O ATOM 395 ND2 ASN A 270 1.024 2.026 1.553 1.00 14.43 N ATOM 0 H ASN A 270 0.689 -1.345 2.067 1.00 15.15 H new ATOM 0 HA ASN A 270 1.327 0.605 4.008 1.00 4.35 H new ATOM 0 HB2 ASN A 270 -1.383 0.087 2.713 1.00 63.11 H new ATOM 0 HB3 ASN A 270 -0.803 1.602 3.375 1.00 63.11 H new ATOM 0 HD21 ASN A 270 1.485 2.341 0.699 1.00 14.43 H new ATOM 0 HD22 ASN A 270 1.261 2.454 2.448 1.00 14.43 H new ATOM 402 N ILE A 271 -1.207 -1.443 4.685 1.00 33.43 N ATOM 403 CA ILE A 271 -1.994 -2.031 5.756 1.00 75.32 C ATOM 404 C ILE A 271 -1.076 -2.372 6.931 1.00 43.12 C ATOM 405 O ILE A 271 0.133 -2.522 6.756 1.00 54.35 O ATOM 406 CB ILE A 271 -2.797 -3.226 5.237 1.00 55.33 C ATOM 407 CG1 ILE A 271 -2.857 -4.342 6.282 1.00 55.24 C ATOM 408 CG2 ILE A 271 -2.241 -3.721 3.900 1.00 13.02 C ATOM 409 CD1 ILE A 271 -1.498 -5.029 6.429 1.00 52.51 C ATOM 0 H ILE A 271 -1.482 -1.731 3.746 1.00 33.43 H new ATOM 0 HA ILE A 271 -2.730 -1.316 6.123 1.00 75.32 H new ATOM 0 HB ILE A 271 -3.821 -2.898 5.058 1.00 55.33 H new ATOM 0 HG12 ILE A 271 -3.166 -3.929 7.243 1.00 55.24 H new ATOM 0 HG13 ILE A 271 -3.610 -5.075 5.993 1.00 55.24 H new ATOM 0 HG21 ILE A 271 -2.829 -4.571 3.553 1.00 13.02 H new ATOM 0 HG22 ILE A 271 -2.294 -2.918 3.164 1.00 13.02 H new ATOM 0 HG23 ILE A 271 -1.203 -4.027 4.029 1.00 13.02 H new ATOM 0 HD11 ILE A 271 -1.568 -5.818 7.178 1.00 52.51 H new ATOM 0 HD12 ILE A 271 -1.204 -5.461 5.473 1.00 52.51 H new ATOM 0 HD13 ILE A 271 -0.753 -4.298 6.741 1.00 52.51 H new ATOM 421 N ILE A 272 -1.684 -2.484 8.103 1.00 65.33 N ATOM 422 CA ILE A 272 -0.935 -2.804 9.306 1.00 32.43 C ATOM 423 C ILE A 272 -1.370 -4.178 9.822 1.00 41.22 C ATOM 424 O ILE A 272 -2.529 -4.370 10.186 1.00 1.31 O ATOM 425 CB ILE A 272 -1.079 -1.686 10.340 1.00 11.22 C ATOM 426 CG1 ILE A 272 -0.169 -0.504 10.000 1.00 61.04 C ATOM 427 CG2 ILE A 272 -0.830 -2.212 11.755 1.00 14.33 C ATOM 428 CD1 ILE A 272 -0.855 0.453 9.022 1.00 21.34 C ATOM 0 H ILE A 272 -2.686 -2.359 8.245 1.00 65.33 H new ATOM 0 HA ILE A 272 0.131 -2.868 9.085 1.00 32.43 H new ATOM 0 HB ILE A 272 -2.106 -1.322 10.308 1.00 11.22 H new ATOM 0 HG12 ILE A 272 0.095 0.031 10.913 1.00 61.04 H new ATOM 0 HG13 ILE A 272 0.761 -0.870 9.565 1.00 61.04 H new ATOM 0 HG21 ILE A 272 -0.939 -1.397 12.471 1.00 14.33 H new ATOM 0 HG22 ILE A 272 -1.553 -2.995 11.985 1.00 14.33 H new ATOM 0 HG23 ILE A 272 0.179 -2.619 11.819 1.00 14.33 H new ATOM 0 HD11 ILE A 272 -0.187 1.284 8.797 1.00 21.34 H new ATOM 0 HD12 ILE A 272 -1.096 -0.079 8.101 1.00 21.34 H new ATOM 0 HD13 ILE A 272 -1.772 0.836 9.470 1.00 21.34 H new ATOM 440 N ILE A 273 -0.417 -5.098 9.836 1.00 43.01 N ATOM 441 CA ILE A 273 -0.687 -6.448 10.301 1.00 45.04 C ATOM 442 C ILE A 273 -1.472 -6.384 11.612 1.00 4.23 C ATOM 443 O ILE A 273 -1.175 -5.562 12.478 1.00 24.21 O ATOM 444 CB ILE A 273 0.613 -7.250 10.400 1.00 35.10 C ATOM 445 CG1 ILE A 273 0.968 -7.887 9.055 1.00 32.21 C ATOM 446 CG2 ILE A 273 0.532 -8.287 11.522 1.00 21.11 C ATOM 447 CD1 ILE A 273 1.623 -6.868 8.121 1.00 4.45 C ATOM 0 H ILE A 273 0.543 -4.935 9.533 1.00 43.01 H new ATOM 0 HA ILE A 273 -1.310 -6.981 9.583 1.00 45.04 H new ATOM 0 HB ILE A 273 1.420 -6.563 10.654 1.00 35.10 H new ATOM 0 HG12 ILE A 273 1.644 -8.727 9.214 1.00 32.21 H new ATOM 0 HG13 ILE A 273 0.067 -8.286 8.589 1.00 32.21 H new ATOM 0 HG21 ILE A 273 1.468 -8.843 11.571 1.00 21.11 H new ATOM 0 HG22 ILE A 273 0.359 -7.782 12.472 1.00 21.11 H new ATOM 0 HG23 ILE A 273 -0.289 -8.975 11.323 1.00 21.11 H new ATOM 0 HD11 ILE A 273 1.865 -7.347 7.172 1.00 4.45 H new ATOM 0 HD12 ILE A 273 0.935 -6.041 7.945 1.00 4.45 H new ATOM 0 HD13 ILE A 273 2.536 -6.489 8.579 1.00 4.45 H new ATOM 459 N PRO A 274 -2.485 -7.285 11.721 1.00 45.25 N ATOM 460 CA PRO A 274 -3.314 -7.338 12.912 1.00 75.31 C ATOM 461 C PRO A 274 -2.564 -7.991 14.075 1.00 44.35 C ATOM 462 O PRO A 274 -2.806 -7.665 15.236 1.00 74.24 O ATOM 463 CB PRO A 274 -4.553 -8.115 12.494 1.00 2.53 C ATOM 464 CG PRO A 274 -4.168 -8.864 11.229 1.00 1.10 C ATOM 465 CD PRO A 274 -2.865 -8.273 10.715 1.00 11.13 C ATOM 0 HA PRO A 274 -3.585 -6.348 13.280 1.00 75.31 H new ATOM 0 HB2 PRO A 274 -4.864 -8.806 13.278 1.00 2.53 H new ATOM 0 HB3 PRO A 274 -5.392 -7.443 12.310 1.00 2.53 H new ATOM 0 HG2 PRO A 274 -4.049 -9.927 11.436 1.00 1.10 H new ATOM 0 HG3 PRO A 274 -4.952 -8.772 10.477 1.00 1.10 H new ATOM 0 HD2 PRO A 274 -2.099 -9.040 10.604 1.00 11.13 H new ATOM 0 HD3 PRO A 274 -2.998 -7.811 9.737 1.00 11.13 H new ATOM 473 N GLY A 275 -1.667 -8.900 13.722 1.00 44.31 N ATOM 474 CA GLY A 275 -0.879 -9.601 14.721 1.00 5.44 C ATOM 475 C GLY A 275 -1.575 -10.889 15.164 1.00 21.02 C ATOM 476 O GLY A 275 -2.783 -11.037 14.989 1.00 34.32 O ATOM 0 H GLY A 275 -1.469 -9.167 12.758 1.00 44.31 H new ATOM 0 HA2 GLY A 275 0.104 -9.836 14.314 1.00 5.44 H new ATOM 0 HA3 GLY A 275 -0.720 -8.954 15.584 1.00 5.44 H new ATOM 480 N ASN A 276 -0.783 -11.788 15.729 1.00 24.11 N ATOM 481 CA ASN A 276 -1.308 -13.059 16.198 1.00 22.12 C ATOM 482 C ASN A 276 -1.553 -13.978 15.000 1.00 63.31 C ATOM 483 O ASN A 276 -2.410 -14.859 15.053 1.00 12.53 O ATOM 484 CB ASN A 276 -2.639 -12.869 16.928 1.00 22.22 C ATOM 485 CG ASN A 276 -2.834 -13.942 18.001 1.00 25.15 C ATOM 486 OD1 ASN A 276 -2.270 -13.885 19.082 1.00 21.51 O ATOM 487 ND2 ASN A 276 -3.661 -14.920 17.645 1.00 62.44 N ATOM 0 H ASN A 276 0.219 -11.661 15.873 1.00 24.11 H new ATOM 0 HA ASN A 276 -0.579 -13.493 16.883 1.00 22.12 H new ATOM 0 HB2 ASN A 276 -2.668 -11.881 17.387 1.00 22.22 H new ATOM 0 HB3 ASN A 276 -3.460 -12.912 16.212 1.00 22.22 H new ATOM 0 HD21 ASN A 276 -3.857 -15.684 18.292 1.00 62.44 H new ATOM 0 HD22 ASN A 276 -4.100 -14.907 16.724 1.00 62.44 H new ATOM 494 N CYS A 277 -0.784 -13.742 13.947 1.00 71.31 N ATOM 495 CA CYS A 277 -0.907 -14.538 12.737 1.00 22.03 C ATOM 496 C CYS A 277 -0.356 -15.936 13.024 1.00 35.44 C ATOM 497 O CYS A 277 0.057 -16.227 14.146 1.00 14.40 O ATOM 498 CB CYS A 277 -0.199 -13.878 11.552 1.00 31.40 C ATOM 499 SG CYS A 277 -1.241 -12.538 10.868 1.00 22.21 S ATOM 0 H CYS A 277 -0.074 -13.011 13.906 1.00 71.31 H new ATOM 0 HA CYS A 277 -1.957 -14.613 12.453 1.00 22.03 H new ATOM 0 HB2 CYS A 277 0.763 -13.476 11.870 1.00 31.40 H new ATOM 0 HB3 CYS A 277 0.006 -14.620 10.781 1.00 31.40 H new ATOM 0 HG CYS A 277 -0.501 -11.724 10.175 1.00 22.21 H new ATOM 505 N THR A 278 -0.369 -16.766 11.991 1.00 4.13 N ATOM 506 CA THR A 278 0.124 -18.127 12.119 1.00 42.15 C ATOM 507 C THR A 278 0.627 -18.641 10.768 1.00 55.42 C ATOM 508 O THR A 278 -0.169 -18.961 9.886 1.00 34.15 O ATOM 509 CB THR A 278 -0.996 -18.981 12.715 1.00 21.42 C ATOM 510 OG1 THR A 278 -1.632 -18.115 13.651 1.00 73.51 O ATOM 511 CG2 THR A 278 -0.462 -20.130 13.574 1.00 52.12 C ATOM 0 H THR A 278 -0.713 -16.522 11.062 1.00 4.13 H new ATOM 0 HA THR A 278 0.982 -18.176 12.790 1.00 42.15 H new ATOM 0 HB THR A 278 -1.612 -19.384 11.911 1.00 21.42 H new ATOM 0 HG1 THR A 278 -2.373 -18.589 14.084 1.00 73.51 H new ATOM 0 HG21 THR A 278 -1.298 -20.705 13.973 1.00 52.12 H new ATOM 0 HG22 THR A 278 0.166 -20.779 12.964 1.00 52.12 H new ATOM 0 HG23 THR A 278 0.126 -19.726 14.398 1.00 52.12 H new ATOM 519 N PHE A 279 1.944 -18.703 10.648 1.00 45.14 N ATOM 520 CA PHE A 279 2.563 -19.172 9.419 1.00 35.21 C ATOM 521 C PHE A 279 2.116 -20.599 9.091 1.00 45.51 C ATOM 522 O PHE A 279 1.689 -21.338 9.976 1.00 72.11 O ATOM 523 CB PHE A 279 4.075 -19.164 9.648 1.00 42.52 C ATOM 524 CG PHE A 279 4.895 -18.908 8.381 1.00 34.22 C ATOM 525 CD1 PHE A 279 4.499 -17.954 7.496 1.00 21.32 C ATOM 526 CD2 PHE A 279 6.019 -19.635 8.140 1.00 34.13 C ATOM 527 CE1 PHE A 279 5.260 -17.717 6.321 1.00 74.33 C ATOM 528 CE2 PHE A 279 6.779 -19.398 6.965 1.00 61.11 C ATOM 529 CZ PHE A 279 6.384 -18.444 6.080 1.00 74.22 C ATOM 0 H PHE A 279 2.601 -18.436 11.381 1.00 45.14 H new ATOM 0 HA PHE A 279 2.275 -18.529 8.588 1.00 35.21 H new ATOM 0 HB2 PHE A 279 4.316 -18.399 10.386 1.00 42.52 H new ATOM 0 HB3 PHE A 279 4.373 -20.122 10.074 1.00 42.52 H new ATOM 0 HD1 PHE A 279 3.606 -17.377 7.687 1.00 21.32 H new ATOM 0 HD2 PHE A 279 6.333 -20.393 8.843 1.00 34.13 H new ATOM 0 HE1 PHE A 279 4.946 -16.959 5.618 1.00 74.33 H new ATOM 0 HE2 PHE A 279 7.671 -19.976 6.774 1.00 61.11 H new ATOM 0 HZ PHE A 279 6.963 -18.264 5.186 1.00 74.22 H new ATOM 539 N GLU A 280 2.232 -20.942 7.817 1.00 55.05 N ATOM 540 CA GLU A 280 1.845 -22.267 7.361 1.00 44.55 C ATOM 541 C GLU A 280 2.750 -22.717 6.211 1.00 13.15 C ATOM 542 O GLU A 280 2.400 -22.558 5.043 1.00 61.31 O ATOM 543 CB GLU A 280 0.374 -22.295 6.944 1.00 73.54 C ATOM 544 CG GLU A 280 -0.038 -23.695 6.482 1.00 41.24 C ATOM 545 CD GLU A 280 -1.548 -23.896 6.620 1.00 14.30 C ATOM 546 OE1 GLU A 280 -2.025 -25.041 6.613 1.00 43.51 O ATOM 547 OE2 GLU A 280 -2.234 -22.810 6.739 1.00 12.44 O ATOM 0 H GLU A 280 2.588 -20.326 7.086 1.00 55.05 H new ATOM 0 HA GLU A 280 1.967 -22.966 8.189 1.00 44.55 H new ATOM 0 HB2 GLU A 280 -0.251 -21.986 7.782 1.00 73.54 H new ATOM 0 HB3 GLU A 280 0.206 -21.579 6.140 1.00 73.54 H new ATOM 0 HG2 GLU A 280 0.258 -23.841 5.443 1.00 41.24 H new ATOM 0 HG3 GLU A 280 0.488 -24.446 7.072 1.00 41.24 H new ATOM 555 N PHE A 281 3.895 -23.270 6.584 1.00 51.53 N ATOM 556 CA PHE A 281 4.852 -23.744 5.599 1.00 40.13 C ATOM 557 C PHE A 281 5.103 -25.245 5.757 1.00 50.04 C ATOM 558 O PHE A 281 5.279 -25.735 6.871 1.00 12.32 O ATOM 559 CB PHE A 281 6.160 -22.991 5.848 1.00 64.12 C ATOM 560 CG PHE A 281 6.779 -23.256 7.222 1.00 32.01 C ATOM 561 CD1 PHE A 281 6.239 -22.685 8.332 1.00 0.21 C ATOM 562 CD2 PHE A 281 7.868 -24.063 7.334 1.00 41.54 C ATOM 563 CE1 PHE A 281 6.813 -22.931 9.607 1.00 11.44 C ATOM 564 CE2 PHE A 281 8.442 -24.308 8.609 1.00 20.20 C ATOM 565 CZ PHE A 281 7.902 -23.737 9.719 1.00 23.00 C ATOM 0 H PHE A 281 4.181 -23.400 7.554 1.00 51.53 H new ATOM 0 HA PHE A 281 4.468 -23.571 4.594 1.00 40.13 H new ATOM 0 HB2 PHE A 281 6.879 -23.268 5.077 1.00 64.12 H new ATOM 0 HB3 PHE A 281 5.977 -21.922 5.743 1.00 64.12 H new ATOM 0 HD1 PHE A 281 5.374 -22.045 8.244 1.00 0.21 H new ATOM 0 HD2 PHE A 281 8.296 -24.518 6.453 1.00 41.54 H new ATOM 0 HE1 PHE A 281 6.384 -22.478 10.488 1.00 11.44 H new ATOM 0 HE2 PHE A 281 9.308 -24.948 8.698 1.00 20.20 H new ATOM 0 HZ PHE A 281 8.338 -23.924 10.689 1.00 23.00 H new ATOM 575 N SER A 282 5.112 -25.933 4.625 1.00 74.34 N ATOM 576 CA SER A 282 5.338 -27.369 4.623 1.00 1.43 C ATOM 577 C SER A 282 6.746 -27.676 4.110 1.00 4.41 C ATOM 578 O SER A 282 7.484 -26.768 3.729 1.00 54.15 O ATOM 579 CB SER A 282 4.293 -28.090 3.770 1.00 62.21 C ATOM 580 OG SER A 282 3.017 -27.460 3.842 1.00 44.53 O ATOM 0 H SER A 282 4.966 -25.523 3.702 1.00 74.34 H new ATOM 0 HA SER A 282 5.244 -27.731 5.647 1.00 1.43 H new ATOM 0 HB2 SER A 282 4.627 -28.115 2.733 1.00 62.21 H new ATOM 0 HB3 SER A 282 4.206 -29.125 4.102 1.00 62.21 H new ATOM 0 HG SER A 282 2.378 -27.949 3.282 1.00 44.53 H new ATOM 586 N SER A 283 7.078 -28.958 4.117 1.00 33.45 N ATOM 587 CA SER A 283 8.385 -29.397 3.658 1.00 54.45 C ATOM 588 C SER A 283 8.227 -30.418 2.530 1.00 72.43 C ATOM 589 O SER A 283 8.946 -30.365 1.533 1.00 10.53 O ATOM 590 CB SER A 283 9.200 -29.995 4.805 1.00 4.44 C ATOM 591 OG SER A 283 8.957 -31.390 4.963 1.00 40.20 O ATOM 0 H SER A 283 6.464 -29.708 4.434 1.00 33.45 H new ATOM 0 HA SER A 283 8.924 -28.528 3.281 1.00 54.45 H new ATOM 0 HB2 SER A 283 10.261 -29.831 4.619 1.00 4.44 H new ATOM 0 HB3 SER A 283 8.955 -29.477 5.732 1.00 4.44 H new ATOM 0 HG SER A 283 9.498 -31.734 5.704 1.00 40.20 H new ATOM 660 N VAL A 288 1.658 -30.164 7.114 1.00 63.21 N ATOM 661 CA VAL A 288 2.236 -28.832 7.062 1.00 2.15 C ATOM 662 C VAL A 288 2.538 -28.357 8.485 1.00 4.40 C ATOM 663 O VAL A 288 2.080 -28.958 9.455 1.00 62.50 O ATOM 664 CB VAL A 288 1.305 -27.886 6.301 1.00 34.44 C ATOM 665 CG1 VAL A 288 -0.125 -27.975 6.839 1.00 0.13 C ATOM 666 CG2 VAL A 288 1.822 -26.448 6.353 1.00 1.44 C ATOM 0 HA VAL A 288 3.179 -28.846 6.516 1.00 2.15 H new ATOM 0 HB VAL A 288 1.290 -28.198 5.257 1.00 34.44 H new ATOM 0 HG11 VAL A 288 -0.767 -27.293 6.281 1.00 0.13 H new ATOM 0 HG12 VAL A 288 -0.494 -28.994 6.726 1.00 0.13 H new ATOM 0 HG13 VAL A 288 -0.135 -27.701 7.894 1.00 0.13 H new ATOM 0 HG21 VAL A 288 1.142 -25.797 5.804 1.00 1.44 H new ATOM 0 HG22 VAL A 288 1.881 -26.120 7.391 1.00 1.44 H new ATOM 0 HG23 VAL A 288 2.813 -26.401 5.901 1.00 1.44 H new ATOM 676 N PHE A 289 3.308 -27.281 8.564 1.00 13.23 N ATOM 677 CA PHE A 289 3.677 -26.718 9.852 1.00 15.30 C ATOM 678 C PHE A 289 2.860 -25.459 10.154 1.00 24.32 C ATOM 679 O PHE A 289 2.313 -24.837 9.245 1.00 33.23 O ATOM 680 CB PHE A 289 5.157 -26.343 9.769 1.00 45.14 C ATOM 681 CG PHE A 289 5.914 -26.498 11.090 1.00 70.15 C ATOM 682 CD1 PHE A 289 5.719 -25.603 12.094 1.00 12.52 C ATOM 683 CD2 PHE A 289 6.781 -27.532 11.259 1.00 45.21 C ATOM 684 CE1 PHE A 289 6.421 -25.747 13.320 1.00 12.41 C ATOM 685 CE2 PHE A 289 7.483 -27.676 12.485 1.00 44.12 C ATOM 686 CZ PHE A 289 7.288 -26.780 13.490 1.00 63.35 C ATOM 0 H PHE A 289 3.686 -26.785 7.757 1.00 13.23 H new ATOM 0 HA PHE A 289 3.485 -27.442 10.644 1.00 15.30 H new ATOM 0 HB2 PHE A 289 5.637 -26.964 9.012 1.00 45.14 H new ATOM 0 HB3 PHE A 289 5.241 -25.309 9.433 1.00 45.14 H new ATOM 0 HD1 PHE A 289 5.030 -24.782 11.959 1.00 12.52 H new ATOM 0 HD2 PHE A 289 6.936 -28.243 10.461 1.00 45.21 H new ATOM 0 HE1 PHE A 289 6.266 -25.036 14.118 1.00 12.41 H new ATOM 0 HE2 PHE A 289 8.172 -28.497 12.620 1.00 44.12 H new ATOM 0 HZ PHE A 289 7.822 -26.889 14.422 1.00 63.35 H new ATOM 696 N SER A 290 2.805 -25.122 11.434 1.00 11.22 N ATOM 697 CA SER A 290 2.065 -23.949 11.868 1.00 51.15 C ATOM 698 C SER A 290 2.698 -23.369 13.134 1.00 30.21 C ATOM 699 O SER A 290 2.820 -24.061 14.144 1.00 52.30 O ATOM 700 CB SER A 290 0.594 -24.287 12.116 1.00 13.24 C ATOM 701 OG SER A 290 0.426 -25.616 12.602 1.00 70.11 O ATOM 0 H SER A 290 3.261 -25.641 12.185 1.00 11.22 H new ATOM 0 HA SER A 290 2.109 -23.203 11.074 1.00 51.15 H new ATOM 0 HB2 SER A 290 0.176 -23.582 12.835 1.00 13.24 H new ATOM 0 HB3 SER A 290 0.033 -24.166 11.189 1.00 13.24 H new ATOM 0 HG SER A 290 -0.527 -25.792 12.749 1.00 70.11 H new ATOM 707 N ILE A 291 3.084 -22.105 13.039 1.00 63.41 N ATOM 708 CA ILE A 291 3.702 -21.425 14.164 1.00 12.24 C ATOM 709 C ILE A 291 2.877 -20.186 14.520 1.00 24.04 C ATOM 710 O ILE A 291 2.570 -19.370 13.653 1.00 74.44 O ATOM 711 CB ILE A 291 5.171 -21.121 13.866 1.00 43.40 C ATOM 712 CG1 ILE A 291 6.027 -22.384 13.983 1.00 42.53 C ATOM 713 CG2 ILE A 291 5.690 -19.992 14.759 1.00 30.04 C ATOM 714 CD1 ILE A 291 7.442 -22.138 13.454 1.00 53.04 C ATOM 0 H ILE A 291 2.981 -21.534 12.200 1.00 63.41 H new ATOM 0 HA ILE A 291 3.707 -22.069 15.043 1.00 12.24 H new ATOM 0 HB ILE A 291 5.246 -20.776 12.835 1.00 43.40 H new ATOM 0 HG12 ILE A 291 6.074 -22.700 15.025 1.00 42.53 H new ATOM 0 HG13 ILE A 291 5.562 -23.196 13.424 1.00 42.53 H new ATOM 0 HG21 ILE A 291 6.737 -19.796 14.526 1.00 30.04 H new ATOM 0 HG22 ILE A 291 5.104 -19.090 14.583 1.00 30.04 H new ATOM 0 HG23 ILE A 291 5.599 -20.285 15.805 1.00 30.04 H new ATOM 0 HD11 ILE A 291 8.030 -23.051 13.549 1.00 53.04 H new ATOM 0 HD12 ILE A 291 7.393 -21.845 12.405 1.00 53.04 H new ATOM 0 HD13 ILE A 291 7.913 -21.342 14.031 1.00 53.04 H new ATOM 726 N LYS A 292 2.543 -20.084 15.798 1.00 24.14 N ATOM 727 CA LYS A 292 1.761 -18.959 16.280 1.00 54.51 C ATOM 728 C LYS A 292 2.640 -17.706 16.308 1.00 34.50 C ATOM 729 O LYS A 292 3.516 -17.578 17.162 1.00 51.14 O ATOM 730 CB LYS A 292 1.119 -19.290 17.629 1.00 41.02 C ATOM 731 CG LYS A 292 -0.213 -20.018 17.438 1.00 12.33 C ATOM 732 CD LYS A 292 0.007 -21.434 16.904 1.00 62.22 C ATOM 733 CE LYS A 292 -1.041 -22.399 17.460 1.00 34.51 C ATOM 734 NZ LYS A 292 -2.373 -21.754 17.497 1.00 44.34 N ATOM 0 H LYS A 292 2.800 -20.763 16.515 1.00 24.14 H new ATOM 0 HA LYS A 292 0.933 -18.753 15.602 1.00 54.51 H new ATOM 0 HB2 LYS A 292 1.796 -19.911 18.215 1.00 41.02 H new ATOM 0 HB3 LYS A 292 0.958 -18.372 18.194 1.00 41.02 H new ATOM 0 HG2 LYS A 292 -0.746 -20.063 18.388 1.00 12.33 H new ATOM 0 HG3 LYS A 292 -0.841 -19.458 16.745 1.00 12.33 H new ATOM 0 HD2 LYS A 292 -0.041 -21.427 15.815 1.00 62.22 H new ATOM 0 HD3 LYS A 292 1.005 -21.778 17.177 1.00 62.22 H new ATOM 0 HE2 LYS A 292 -1.082 -23.296 16.842 1.00 34.51 H new ATOM 0 HE3 LYS A 292 -0.756 -22.716 18.463 1.00 34.51 H new ATOM 0 HZ1 LYS A 292 -3.112 -22.478 17.391 1.00 44.34 H new ATOM 0 HZ2 LYS A 292 -2.496 -21.264 18.406 1.00 44.34 H new ATOM 0 HZ3 LYS A 292 -2.448 -21.067 16.720 1.00 44.34 H new ATOM 747 N MET A 293 2.375 -16.815 15.364 1.00 33.22 N ATOM 748 CA MET A 293 3.131 -15.578 15.270 1.00 13.20 C ATOM 749 C MET A 293 2.798 -14.642 16.434 1.00 61.10 C ATOM 750 O MET A 293 1.670 -14.633 16.925 1.00 42.43 O ATOM 751 CB MET A 293 2.808 -14.882 13.947 1.00 54.54 C ATOM 752 CG MET A 293 3.450 -15.617 12.769 1.00 61.21 C ATOM 753 SD MET A 293 2.769 -15.020 11.231 1.00 52.10 S ATOM 754 CE MET A 293 3.620 -13.456 11.101 1.00 24.52 C ATOM 0 H MET A 293 1.647 -16.925 14.658 1.00 33.22 H new ATOM 0 HA MET A 293 4.193 -15.819 15.314 1.00 13.20 H new ATOM 0 HB2 MET A 293 1.728 -14.840 13.809 1.00 54.54 H new ATOM 0 HB3 MET A 293 3.166 -13.853 13.977 1.00 54.54 H new ATOM 0 HG2 MET A 293 4.529 -15.466 12.781 1.00 61.21 H new ATOM 0 HG3 MET A 293 3.277 -16.689 12.861 1.00 61.21 H new ATOM 0 HE1 MET A 293 3.818 -13.236 10.052 1.00 24.52 H new ATOM 0 HE2 MET A 293 2.999 -12.668 11.527 1.00 24.52 H new ATOM 0 HE3 MET A 293 4.563 -13.509 11.645 1.00 24.52 H new ATOM 764 N GLY A 294 3.800 -13.878 16.842 1.00 4.20 N ATOM 765 CA GLY A 294 3.628 -12.941 17.939 1.00 5.41 C ATOM 766 C GLY A 294 2.381 -12.079 17.734 1.00 42.45 C ATOM 767 O GLY A 294 1.968 -11.839 16.600 1.00 10.41 O ATOM 0 H GLY A 294 4.734 -13.889 16.433 1.00 4.20 H new ATOM 0 HA2 GLY A 294 3.546 -13.487 18.879 1.00 5.41 H new ATOM 0 HA3 GLY A 294 4.507 -12.302 18.017 1.00 5.41 H new ATOM 771 N PRO A 295 1.801 -11.625 18.877 1.00 42.11 N ATOM 772 CA PRO A 295 0.610 -10.795 18.833 1.00 15.23 C ATOM 773 C PRO A 295 0.951 -9.368 18.399 1.00 12.11 C ATOM 774 O PRO A 295 0.124 -8.684 17.798 1.00 42.23 O ATOM 775 CB PRO A 295 0.029 -10.866 20.236 1.00 32.01 C ATOM 776 CG PRO A 295 1.159 -11.350 21.131 1.00 55.32 C ATOM 777 CD PRO A 295 2.263 -11.889 20.237 1.00 71.14 C ATOM 0 HA PRO A 295 -0.116 -11.141 18.097 1.00 15.23 H new ATOM 0 HB2 PRO A 295 -0.334 -9.890 20.558 1.00 32.01 H new ATOM 0 HB3 PRO A 295 -0.819 -11.550 20.273 1.00 32.01 H new ATOM 0 HG2 PRO A 295 1.533 -10.534 21.749 1.00 55.32 H new ATOM 0 HG3 PRO A 295 0.803 -12.126 21.809 1.00 55.32 H new ATOM 0 HD2 PRO A 295 3.212 -11.392 20.436 1.00 71.14 H new ATOM 0 HD3 PRO A 295 2.421 -12.955 20.402 1.00 71.14 H new ATOM 785 N HIS A 296 2.170 -8.961 18.721 1.00 60.33 N ATOM 786 CA HIS A 296 2.631 -7.628 18.371 1.00 31.33 C ATOM 787 C HIS A 296 2.419 -7.388 16.875 1.00 12.33 C ATOM 788 O HIS A 296 2.686 -8.267 16.057 1.00 2.44 O ATOM 789 CB HIS A 296 4.084 -7.425 18.804 1.00 21.04 C ATOM 790 CG HIS A 296 4.272 -7.333 20.300 1.00 61.21 C ATOM 791 ND1 HIS A 296 5.386 -6.754 20.881 1.00 4.33 N ATOM 792 CD2 HIS A 296 3.476 -7.752 21.326 1.00 65.04 C ATOM 793 CE1 HIS A 296 5.257 -6.827 22.198 1.00 41.12 C ATOM 794 NE2 HIS A 296 4.073 -7.446 22.471 1.00 20.42 N ATOM 0 H HIS A 296 2.853 -9.531 19.221 1.00 60.33 H new ATOM 0 HA HIS A 296 2.045 -6.883 18.910 1.00 31.33 H new ATOM 0 HB2 HIS A 296 4.685 -8.251 18.423 1.00 21.04 H new ATOM 0 HB3 HIS A 296 4.466 -6.514 18.343 1.00 21.04 H new ATOM 0 HD2 HIS A 296 2.522 -8.248 21.224 1.00 65.04 H new ATOM 0 HE1 HIS A 296 5.965 -6.461 22.927 1.00 41.12 H new ATOM 0 HE2 HIS A 296 3.706 -7.642 23.402 1.00 20.42 H new ATOM 802 N GLU A 297 1.940 -6.192 16.563 1.00 60.40 N ATOM 803 CA GLU A 297 1.689 -5.825 15.180 1.00 51.12 C ATOM 804 C GLU A 297 2.984 -5.363 14.510 1.00 43.43 C ATOM 805 O GLU A 297 3.846 -4.772 15.159 1.00 65.14 O ATOM 806 CB GLU A 297 0.608 -4.746 15.087 1.00 42.13 C ATOM 807 CG GLU A 297 1.207 -3.352 15.285 1.00 52.21 C ATOM 808 CD GLU A 297 1.785 -3.199 16.693 1.00 11.42 C ATOM 809 OE1 GLU A 297 1.029 -3.193 17.676 1.00 3.14 O ATOM 810 OE2 GLU A 297 3.069 -3.084 16.746 1.00 13.30 O ATOM 0 H GLU A 297 1.719 -5.466 17.244 1.00 60.40 H new ATOM 0 HA GLU A 297 1.324 -6.705 14.651 1.00 51.12 H new ATOM 0 HB2 GLU A 297 0.117 -4.800 14.115 1.00 42.13 H new ATOM 0 HB3 GLU A 297 -0.158 -4.927 15.841 1.00 42.13 H new ATOM 0 HG2 GLU A 297 1.990 -3.180 14.546 1.00 52.21 H new ATOM 0 HG3 GLU A 297 0.440 -2.596 15.119 1.00 52.21 H new ATOM 818 N ILE A 298 3.081 -5.649 13.220 1.00 54.23 N ATOM 819 CA ILE A 298 4.256 -5.270 12.455 1.00 44.33 C ATOM 820 C ILE A 298 4.123 -3.812 12.011 1.00 54.40 C ATOM 821 O ILE A 298 4.751 -2.924 12.585 1.00 21.05 O ATOM 822 CB ILE A 298 4.481 -6.246 11.298 1.00 20.35 C ATOM 823 CG1 ILE A 298 4.331 -7.695 11.767 1.00 3.04 C ATOM 824 CG2 ILE A 298 5.833 -5.998 10.626 1.00 31.21 C ATOM 825 CD1 ILE A 298 4.279 -8.654 10.577 1.00 74.15 C ATOM 0 H ILE A 298 2.364 -6.139 12.685 1.00 54.23 H new ATOM 0 HA ILE A 298 5.150 -5.335 13.075 1.00 44.33 H new ATOM 0 HB ILE A 298 3.711 -6.069 10.547 1.00 20.35 H new ATOM 0 HG12 ILE A 298 5.166 -7.959 12.415 1.00 3.04 H new ATOM 0 HG13 ILE A 298 3.422 -7.797 12.360 1.00 3.04 H new ATOM 0 HG21 ILE A 298 5.968 -6.705 9.807 1.00 31.21 H new ATOM 0 HG22 ILE A 298 5.864 -4.981 10.236 1.00 31.21 H new ATOM 0 HG23 ILE A 298 6.632 -6.131 11.356 1.00 31.21 H new ATOM 0 HD11 ILE A 298 4.172 -9.677 10.938 1.00 74.15 H new ATOM 0 HD12 ILE A 298 3.428 -8.402 9.944 1.00 74.15 H new ATOM 0 HD13 ILE A 298 5.199 -8.568 10.000 1.00 74.15 H new ATOM 837 N GLY A 299 3.300 -3.610 10.993 1.00 54.55 N ATOM 838 CA GLY A 299 3.075 -2.274 10.465 1.00 22.31 C ATOM 839 C GLY A 299 4.259 -1.816 9.611 1.00 71.23 C ATOM 840 O GLY A 299 5.190 -2.584 9.371 1.00 53.32 O ATOM 0 H GLY A 299 2.780 -4.349 10.519 1.00 54.55 H new ATOM 0 HA2 GLY A 299 2.164 -2.264 9.866 1.00 22.31 H new ATOM 0 HA3 GLY A 299 2.923 -1.575 11.287 1.00 22.31 H new ATOM 844 N ILE A 300 4.185 -0.567 9.175 1.00 73.32 N ATOM 845 CA ILE A 300 5.238 0.002 8.352 1.00 5.22 C ATOM 846 C ILE A 300 6.533 0.072 9.165 1.00 32.31 C ATOM 847 O ILE A 300 6.514 0.442 10.338 1.00 22.20 O ATOM 848 CB ILE A 300 4.800 1.351 7.778 1.00 70.45 C ATOM 849 CG1 ILE A 300 3.351 1.294 7.291 1.00 74.15 C ATOM 850 CG2 ILE A 300 5.757 1.815 6.677 1.00 35.13 C ATOM 851 CD1 ILE A 300 3.053 -0.043 6.608 1.00 4.20 C ATOM 0 H ILE A 300 3.412 0.067 9.376 1.00 73.32 H new ATOM 0 HA ILE A 300 5.435 -0.636 7.491 1.00 5.22 H new ATOM 0 HB ILE A 300 4.843 2.093 8.576 1.00 70.45 H new ATOM 0 HG12 ILE A 300 2.675 1.434 8.134 1.00 74.15 H new ATOM 0 HG13 ILE A 300 3.166 2.111 6.594 1.00 74.15 H new ATOM 0 HG21 ILE A 300 5.423 2.776 6.286 1.00 35.13 H new ATOM 0 HG22 ILE A 300 6.761 1.920 7.088 1.00 35.13 H new ATOM 0 HG23 ILE A 300 5.769 1.080 5.872 1.00 35.13 H new ATOM 0 HD11 ILE A 300 2.016 -0.057 6.272 1.00 4.20 H new ATOM 0 HD12 ILE A 300 3.714 -0.169 5.751 1.00 4.20 H new ATOM 0 HD13 ILE A 300 3.216 -0.857 7.315 1.00 4.20 H new ATOM 863 N LYS A 301 7.626 -0.290 8.510 1.00 52.14 N ATOM 864 CA LYS A 301 8.927 -0.273 9.157 1.00 73.12 C ATOM 865 C LYS A 301 8.955 -1.331 10.262 1.00 42.20 C ATOM 866 O LYS A 301 9.894 -1.379 11.056 1.00 72.45 O ATOM 867 CB LYS A 301 9.264 1.137 9.646 1.00 34.21 C ATOM 868 CG LYS A 301 8.734 2.195 8.676 1.00 65.12 C ATOM 869 CD LYS A 301 9.431 2.090 7.317 1.00 13.24 C ATOM 870 CE LYS A 301 10.445 3.221 7.132 1.00 32.24 C ATOM 871 NZ LYS A 301 11.699 2.915 7.855 1.00 25.14 N ATOM 0 H LYS A 301 7.638 -0.597 7.537 1.00 52.14 H new ATOM 0 HA LYS A 301 9.710 -0.534 8.445 1.00 73.12 H new ATOM 0 HB2 LYS A 301 8.833 1.296 10.634 1.00 34.21 H new ATOM 0 HB3 LYS A 301 10.344 1.242 9.749 1.00 34.21 H new ATOM 0 HG2 LYS A 301 7.659 2.070 8.548 1.00 65.12 H new ATOM 0 HG3 LYS A 301 8.892 3.189 9.094 1.00 65.12 H new ATOM 0 HD2 LYS A 301 9.936 1.127 7.237 1.00 13.24 H new ATOM 0 HD3 LYS A 301 8.689 2.128 6.520 1.00 13.24 H new ATOM 0 HE2 LYS A 301 10.654 3.360 6.071 1.00 32.24 H new ATOM 0 HE3 LYS A 301 10.025 4.157 7.500 1.00 32.24 H new ATOM 0 HZ1 LYS A 301 12.389 3.676 7.692 1.00 25.14 H new ATOM 0 HZ2 LYS A 301 11.503 2.838 8.873 1.00 25.14 H new ATOM 0 HZ3 LYS A 301 12.089 2.015 7.509 1.00 25.14 H new ATOM 884 N GLY A 302 7.916 -2.152 10.278 1.00 14.12 N ATOM 885 CA GLY A 302 7.810 -3.206 11.273 1.00 53.21 C ATOM 886 C GLY A 302 8.287 -4.545 10.706 1.00 12.53 C ATOM 887 O GLY A 302 8.022 -4.862 9.548 1.00 42.03 O ATOM 0 H GLY A 302 7.140 -2.109 9.618 1.00 14.12 H new ATOM 0 HA2 GLY A 302 8.404 -2.945 12.149 1.00 53.21 H new ATOM 0 HA3 GLY A 302 6.776 -3.295 11.605 1.00 53.21 H new ATOM 891 N GLN A 303 8.982 -5.294 11.550 1.00 52.34 N ATOM 892 CA GLN A 303 9.498 -6.591 11.147 1.00 2.03 C ATOM 893 C GLN A 303 8.749 -7.709 11.874 1.00 35.30 C ATOM 894 O GLN A 303 7.843 -7.444 12.663 1.00 4.34 O ATOM 895 CB GLN A 303 11.004 -6.685 11.402 1.00 11.31 C ATOM 896 CG GLN A 303 11.291 -7.086 12.850 1.00 20.13 C ATOM 897 CD GLN A 303 12.650 -6.553 13.308 1.00 64.33 C ATOM 898 OE1 GLN A 303 13.059 -5.454 12.973 1.00 5.43 O ATOM 899 NE2 GLN A 303 13.325 -7.392 14.089 1.00 10.22 N ATOM 0 H GLN A 303 9.200 -5.028 12.510 1.00 52.34 H new ATOM 0 HA GLN A 303 9.336 -6.708 10.076 1.00 2.03 H new ATOM 0 HB2 GLN A 303 11.446 -7.415 10.724 1.00 11.31 H new ATOM 0 HB3 GLN A 303 11.473 -5.725 11.187 1.00 11.31 H new ATOM 0 HG2 GLN A 303 10.507 -6.699 13.500 1.00 20.13 H new ATOM 0 HG3 GLN A 303 11.273 -8.172 12.941 1.00 20.13 H new ATOM 0 HE21 GLN A 303 12.924 -8.298 14.331 1.00 10.22 H new ATOM 0 HE22 GLN A 303 14.244 -7.129 14.446 1.00 10.22 H new ATOM 908 N LYS A 304 9.153 -8.937 11.582 1.00 40.45 N ATOM 909 CA LYS A 304 8.531 -10.096 12.197 1.00 32.43 C ATOM 910 C LYS A 304 9.586 -11.184 12.408 1.00 30.03 C ATOM 911 O LYS A 304 10.668 -11.126 11.825 1.00 35.12 O ATOM 912 CB LYS A 304 7.327 -10.559 11.374 1.00 10.11 C ATOM 913 CG LYS A 304 6.446 -11.515 12.181 1.00 53.33 C ATOM 914 CD LYS A 304 6.050 -10.895 13.523 1.00 62.33 C ATOM 915 CE LYS A 304 4.841 -11.614 14.123 1.00 32.53 C ATOM 916 NZ LYS A 304 4.068 -10.695 14.989 1.00 65.31 N ATOM 0 H LYS A 304 9.904 -9.154 10.927 1.00 40.45 H new ATOM 0 HA LYS A 304 8.136 -9.839 13.180 1.00 32.43 H new ATOM 0 HB2 LYS A 304 6.741 -9.694 11.062 1.00 10.11 H new ATOM 0 HB3 LYS A 304 7.671 -11.055 10.466 1.00 10.11 H new ATOM 0 HG2 LYS A 304 5.550 -11.759 11.610 1.00 53.33 H new ATOM 0 HG3 LYS A 304 6.979 -12.450 12.352 1.00 53.33 H new ATOM 0 HD2 LYS A 304 6.890 -10.950 14.215 1.00 62.33 H new ATOM 0 HD3 LYS A 304 5.818 -9.839 13.386 1.00 62.33 H new ATOM 0 HE2 LYS A 304 4.203 -11.993 13.325 1.00 32.53 H new ATOM 0 HE3 LYS A 304 5.173 -12.475 14.702 1.00 32.53 H new ATOM 0 HZ1 LYS A 304 3.355 -11.235 15.519 1.00 65.31 H new ATOM 0 HZ2 LYS A 304 4.711 -10.223 15.656 1.00 65.31 H new ATOM 0 HZ3 LYS A 304 3.594 -9.980 14.401 1.00 65.31 H new ATOM 929 N GLU A 305 9.235 -12.151 13.244 1.00 54.54 N ATOM 930 CA GLU A 305 10.138 -13.250 13.539 1.00 51.32 C ATOM 931 C GLU A 305 9.397 -14.585 13.446 1.00 61.23 C ATOM 932 O GLU A 305 8.342 -14.758 14.055 1.00 45.22 O ATOM 933 CB GLU A 305 10.782 -13.075 14.915 1.00 25.23 C ATOM 934 CG GLU A 305 12.100 -12.304 14.810 1.00 14.31 C ATOM 935 CD GLU A 305 12.349 -11.471 16.069 1.00 24.33 C ATOM 936 OE1 GLU A 305 11.442 -10.767 16.537 1.00 43.22 O ATOM 937 OE2 GLU A 305 13.536 -11.575 16.565 1.00 32.22 O ATOM 0 H GLU A 305 8.337 -12.196 13.726 1.00 54.54 H new ATOM 0 HA GLU A 305 10.937 -13.248 12.797 1.00 51.32 H new ATOM 0 HB2 GLU A 305 10.097 -12.543 15.576 1.00 25.23 H new ATOM 0 HB3 GLU A 305 10.963 -14.052 15.363 1.00 25.23 H new ATOM 0 HG2 GLU A 305 12.924 -13.003 14.663 1.00 14.31 H new ATOM 0 HG3 GLU A 305 12.076 -11.652 13.937 1.00 14.31 H new ATOM 945 N LEU A 306 9.978 -15.496 12.678 1.00 3.35 N ATOM 946 CA LEU A 306 9.386 -16.810 12.498 1.00 64.32 C ATOM 947 C LEU A 306 10.494 -17.866 12.480 1.00 41.51 C ATOM 948 O LEU A 306 10.686 -18.552 11.478 1.00 71.43 O ATOM 949 CB LEU A 306 8.497 -16.831 11.253 1.00 61.11 C ATOM 950 CG LEU A 306 7.048 -16.386 11.457 1.00 54.34 C ATOM 951 CD1 LEU A 306 6.234 -16.562 10.173 1.00 62.21 C ATOM 952 CD2 LEU A 306 6.412 -17.114 12.643 1.00 52.34 C ATOM 0 H LEU A 306 10.852 -15.349 12.174 1.00 3.35 H new ATOM 0 HA LEU A 306 8.730 -17.050 13.335 1.00 64.32 H new ATOM 0 HB2 LEU A 306 8.950 -16.190 10.496 1.00 61.11 H new ATOM 0 HB3 LEU A 306 8.492 -17.844 10.851 1.00 61.11 H new ATOM 0 HG LEU A 306 7.048 -15.322 11.695 1.00 54.34 H new ATOM 0 HD11 LEU A 306 5.208 -16.238 10.346 1.00 62.21 H new ATOM 0 HD12 LEU A 306 6.675 -15.961 9.377 1.00 62.21 H new ATOM 0 HD13 LEU A 306 6.239 -17.612 9.880 1.00 62.21 H new ATOM 0 HD21 LEU A 306 5.382 -16.779 12.766 1.00 52.34 H new ATOM 0 HD22 LEU A 306 6.425 -18.188 12.460 1.00 52.34 H new ATOM 0 HD23 LEU A 306 6.976 -16.894 13.550 1.00 52.34 H new ATOM 964 N TRP A 307 11.194 -17.961 13.601 1.00 63.34 N ATOM 965 CA TRP A 307 12.278 -18.921 13.726 1.00 31.23 C ATOM 966 C TRP A 307 11.661 -20.306 13.935 1.00 42.21 C ATOM 967 O TRP A 307 10.811 -20.486 14.805 1.00 55.30 O ATOM 968 CB TRP A 307 13.239 -18.520 14.847 1.00 13.31 C ATOM 969 CG TRP A 307 12.768 -18.926 16.245 1.00 4.22 C ATOM 970 CD1 TRP A 307 12.841 -20.133 16.822 1.00 64.21 C ATOM 971 CD2 TRP A 307 12.146 -18.069 17.226 1.00 73.04 C ATOM 972 NE1 TRP A 307 12.313 -20.118 18.097 1.00 44.51 N ATOM 973 CE2 TRP A 307 11.877 -18.822 18.350 1.00 21.31 C ATOM 974 CE3 TRP A 307 11.820 -16.703 17.164 1.00 4.51 C ATOM 975 CZ2 TRP A 307 11.271 -18.297 19.498 1.00 72.33 C ATOM 976 CZ3 TRP A 307 11.215 -16.193 18.319 1.00 11.00 C ATOM 977 CH2 TRP A 307 10.938 -16.938 19.459 1.00 34.12 C ATOM 0 H TRP A 307 11.032 -17.390 14.430 1.00 63.34 H new ATOM 0 HA TRP A 307 12.882 -18.942 12.819 1.00 31.23 H new ATOM 0 HB2 TRP A 307 14.212 -18.973 14.657 1.00 13.31 H new ATOM 0 HB3 TRP A 307 13.380 -17.439 14.822 1.00 13.31 H new ATOM 0 HD1 TRP A 307 13.261 -21.008 16.349 1.00 64.21 H new ATOM 0 HE1 TRP A 307 12.254 -20.911 18.736 1.00 44.51 H new ATOM 0 HE3 TRP A 307 12.020 -16.095 16.294 1.00 4.51 H new ATOM 0 HZ2 TRP A 307 11.071 -18.907 20.366 1.00 72.33 H new ATOM 0 HZ3 TRP A 307 10.945 -15.147 18.324 1.00 11.00 H new ATOM 0 HH2 TRP A 307 10.468 -16.470 20.311 1.00 34.12 H new ATOM 988 N PHE A 308 12.114 -21.249 13.122 1.00 42.20 N ATOM 989 CA PHE A 308 11.618 -22.612 13.207 1.00 54.35 C ATOM 990 C PHE A 308 12.731 -23.577 13.618 1.00 5.41 C ATOM 991 O PHE A 308 13.876 -23.166 13.804 1.00 60.24 O ATOM 992 CB PHE A 308 11.118 -22.993 11.812 1.00 63.15 C ATOM 993 CG PHE A 308 10.195 -21.952 11.175 1.00 60.30 C ATOM 994 CD1 PHE A 308 9.496 -21.091 11.962 1.00 4.12 C ATOM 995 CD2 PHE A 308 10.073 -21.888 9.822 1.00 71.50 C ATOM 996 CE1 PHE A 308 8.640 -20.125 11.371 1.00 34.05 C ATOM 997 CE2 PHE A 308 9.216 -20.923 9.231 1.00 11.52 C ATOM 998 CZ PHE A 308 8.517 -20.061 10.018 1.00 23.25 C ATOM 0 H PHE A 308 12.819 -21.096 12.401 1.00 42.20 H new ATOM 0 HA PHE A 308 10.827 -22.674 13.954 1.00 54.35 H new ATOM 0 HB2 PHE A 308 11.977 -23.149 11.160 1.00 63.15 H new ATOM 0 HB3 PHE A 308 10.588 -23.943 11.874 1.00 63.15 H new ATOM 0 HD1 PHE A 308 9.592 -21.142 13.037 1.00 4.12 H new ATOM 0 HD2 PHE A 308 10.628 -22.572 9.197 1.00 71.50 H new ATOM 0 HE1 PHE A 308 8.086 -19.440 11.996 1.00 34.05 H new ATOM 0 HE2 PHE A 308 9.119 -20.873 8.157 1.00 11.52 H new ATOM 0 HZ PHE A 308 7.865 -19.327 9.569 1.00 23.25 H new ATOM 1008 N PHE A 309 12.357 -24.841 13.749 1.00 42.23 N ATOM 1009 CA PHE A 309 13.310 -25.867 14.135 1.00 62.41 C ATOM 1010 C PHE A 309 12.811 -27.257 13.735 1.00 62.43 C ATOM 1011 O PHE A 309 11.611 -27.464 13.561 1.00 2.22 O ATOM 1012 CB PHE A 309 13.442 -25.805 15.658 1.00 43.12 C ATOM 1013 CG PHE A 309 12.158 -25.388 16.377 1.00 10.42 C ATOM 1014 CD1 PHE A 309 11.813 -24.074 16.445 1.00 0.23 C ATOM 1015 CD2 PHE A 309 11.361 -26.330 16.948 1.00 25.34 C ATOM 1016 CE1 PHE A 309 10.621 -23.686 17.113 1.00 62.50 C ATOM 1017 CE2 PHE A 309 10.170 -25.943 17.616 1.00 14.01 C ATOM 1018 CZ PHE A 309 9.825 -24.629 17.684 1.00 34.13 C ATOM 0 H PHE A 309 11.407 -25.178 13.595 1.00 42.23 H new ATOM 0 HA PHE A 309 14.264 -25.695 13.636 1.00 62.41 H new ATOM 0 HB2 PHE A 309 13.751 -26.783 16.026 1.00 43.12 H new ATOM 0 HB3 PHE A 309 14.235 -25.103 15.915 1.00 43.12 H new ATOM 0 HD1 PHE A 309 12.446 -23.326 15.991 1.00 0.23 H new ATOM 0 HD2 PHE A 309 11.634 -27.373 16.893 1.00 25.34 H new ATOM 0 HE1 PHE A 309 10.347 -22.643 17.167 1.00 62.50 H new ATOM 0 HE2 PHE A 309 9.538 -26.692 18.070 1.00 14.01 H new ATOM 0 HZ PHE A 309 8.918 -24.335 18.192 1.00 34.13 H new ATOM 1028 N PRO A 310 13.783 -28.199 13.596 1.00 13.03 N ATOM 1029 CA PRO A 310 15.180 -27.871 13.820 1.00 3.14 C ATOM 1030 C PRO A 310 15.748 -27.063 12.652 1.00 63.35 C ATOM 1031 O PRO A 310 16.584 -26.183 12.849 1.00 40.41 O ATOM 1032 CB PRO A 310 15.873 -29.210 14.009 1.00 25.42 C ATOM 1033 CG PRO A 310 14.933 -30.252 13.425 1.00 21.34 C ATOM 1034 CD PRO A 310 13.577 -29.596 13.224 1.00 2.31 C ATOM 0 HA PRO A 310 15.328 -27.235 14.692 1.00 3.14 H new ATOM 0 HB2 PRO A 310 16.837 -29.226 13.501 1.00 25.42 H new ATOM 0 HB3 PRO A 310 16.065 -29.405 15.064 1.00 25.42 H new ATOM 0 HG2 PRO A 310 15.320 -30.627 12.477 1.00 21.34 H new ATOM 0 HG3 PRO A 310 14.848 -31.107 14.095 1.00 21.34 H new ATOM 0 HD2 PRO A 310 13.243 -29.686 12.190 1.00 2.31 H new ATOM 0 HD3 PRO A 310 12.815 -30.064 13.847 1.00 2.31 H new ATOM 1042 N SER A 311 15.272 -27.392 11.460 1.00 54.02 N ATOM 1043 CA SER A 311 15.721 -26.708 10.259 1.00 22.12 C ATOM 1044 C SER A 311 15.229 -27.454 9.017 1.00 4.30 C ATOM 1045 O SER A 311 15.241 -28.683 8.981 1.00 21.23 O ATOM 1046 CB SER A 311 17.246 -26.584 10.235 1.00 51.44 C ATOM 1047 OG SER A 311 17.887 -27.800 10.609 1.00 71.23 O ATOM 0 H SER A 311 14.579 -28.124 11.300 1.00 54.02 H new ATOM 0 HA SER A 311 15.301 -25.702 10.260 1.00 22.12 H new ATOM 0 HB2 SER A 311 17.570 -26.296 9.235 1.00 51.44 H new ATOM 0 HB3 SER A 311 17.556 -25.788 10.912 1.00 51.44 H new ATOM 0 HG SER A 311 18.859 -27.680 10.580 1.00 71.23 H new ATOM 1053 N LEU A 312 14.809 -26.678 8.029 1.00 73.24 N ATOM 1054 CA LEU A 312 14.314 -27.250 6.788 1.00 53.33 C ATOM 1055 C LEU A 312 15.248 -26.857 5.642 1.00 43.12 C ATOM 1056 O LEU A 312 15.983 -25.876 5.744 1.00 42.22 O ATOM 1057 CB LEU A 312 12.855 -26.848 6.557 1.00 25.31 C ATOM 1058 CG LEU A 312 11.838 -27.420 7.547 1.00 50.43 C ATOM 1059 CD1 LEU A 312 11.587 -26.445 8.699 1.00 55.23 C ATOM 1060 CD2 LEU A 312 10.542 -27.812 6.835 1.00 72.40 C ATOM 0 H LEU A 312 14.801 -25.659 8.062 1.00 73.24 H new ATOM 0 HA LEU A 312 14.316 -28.339 6.843 1.00 53.33 H new ATOM 0 HB2 LEU A 312 12.789 -25.760 6.587 1.00 25.31 H new ATOM 0 HB3 LEU A 312 12.568 -27.158 5.552 1.00 25.31 H new ATOM 0 HG LEU A 312 12.255 -28.329 7.980 1.00 50.43 H new ATOM 0 HD11 LEU A 312 10.861 -26.875 9.388 1.00 55.23 H new ATOM 0 HD12 LEU A 312 12.522 -26.258 9.227 1.00 55.23 H new ATOM 0 HD13 LEU A 312 11.200 -25.506 8.303 1.00 55.23 H new ATOM 0 HD21 LEU A 312 9.836 -28.216 7.561 1.00 72.40 H new ATOM 0 HD22 LEU A 312 10.109 -26.933 6.358 1.00 72.40 H new ATOM 0 HD23 LEU A 312 10.756 -28.567 6.079 1.00 72.40 H new ATOM 1072 N PRO A 313 15.188 -27.664 4.549 1.00 43.12 N ATOM 1073 CA PRO A 313 16.020 -27.411 3.385 1.00 42.42 C ATOM 1074 C PRO A 313 15.490 -26.223 2.580 1.00 52.53 C ATOM 1075 O PRO A 313 14.283 -25.991 2.530 1.00 73.45 O ATOM 1076 CB PRO A 313 16.007 -28.713 2.601 1.00 41.31 C ATOM 1077 CG PRO A 313 14.803 -29.491 3.106 1.00 22.21 C ATOM 1078 CD PRO A 313 14.330 -28.835 4.393 1.00 51.44 C ATOM 0 HA PRO A 313 17.040 -27.132 3.650 1.00 42.42 H new ATOM 0 HB2 PRO A 313 15.929 -28.524 1.530 1.00 41.31 H new ATOM 0 HB3 PRO A 313 16.928 -29.273 2.759 1.00 41.31 H new ATOM 0 HG2 PRO A 313 14.007 -29.488 2.361 1.00 22.21 H new ATOM 0 HG3 PRO A 313 15.069 -30.533 3.284 1.00 22.21 H new ATOM 0 HD2 PRO A 313 13.280 -28.551 4.330 1.00 51.44 H new ATOM 0 HD3 PRO A 313 14.426 -29.512 5.241 1.00 51.44 H new ATOM 1086 N THR A 314 16.418 -25.500 1.970 1.00 61.44 N ATOM 1087 CA THR A 314 16.059 -24.342 1.169 1.00 21.11 C ATOM 1088 C THR A 314 16.679 -24.445 -0.226 1.00 4.24 C ATOM 1089 O THR A 314 17.615 -25.215 -0.438 1.00 13.11 O ATOM 1090 CB THR A 314 16.487 -23.088 1.934 1.00 43.03 C ATOM 1091 OG1 THR A 314 17.581 -23.526 2.735 1.00 32.42 O ATOM 1092 CG2 THR A 314 15.438 -22.635 2.951 1.00 73.51 C ATOM 0 H THR A 314 17.418 -25.694 2.014 1.00 61.44 H new ATOM 0 HA THR A 314 14.982 -24.290 1.008 1.00 21.11 H new ATOM 0 HB THR A 314 16.679 -22.281 1.227 1.00 43.03 H new ATOM 0 HG1 THR A 314 17.260 -24.163 3.407 1.00 32.42 H new ATOM 0 HG21 THR A 314 15.792 -21.742 3.466 1.00 73.51 H new ATOM 0 HG22 THR A 314 14.504 -22.411 2.435 1.00 73.51 H new ATOM 0 HG23 THR A 314 15.269 -23.430 3.678 1.00 73.51 H new ATOM 1100 N PRO A 315 16.119 -23.636 -1.165 1.00 20.32 N ATOM 1101 CA PRO A 315 15.014 -22.754 -0.830 1.00 22.12 C ATOM 1102 C PRO A 315 13.711 -23.541 -0.679 1.00 54.31 C ATOM 1103 O PRO A 315 13.673 -24.742 -0.940 1.00 74.11 O ATOM 1104 CB PRO A 315 14.967 -21.737 -1.958 1.00 41.22 C ATOM 1105 CG PRO A 315 15.740 -22.357 -3.111 1.00 53.00 C ATOM 1106 CD PRO A 315 16.521 -23.541 -2.565 1.00 72.12 C ATOM 0 HA PRO A 315 15.148 -22.257 0.131 1.00 22.12 H new ATOM 0 HB2 PRO A 315 13.938 -21.523 -2.248 1.00 41.22 H new ATOM 0 HB3 PRO A 315 15.415 -20.792 -1.651 1.00 41.22 H new ATOM 0 HG2 PRO A 315 15.058 -22.680 -3.898 1.00 53.00 H new ATOM 0 HG3 PRO A 315 16.416 -21.626 -3.555 1.00 53.00 H new ATOM 0 HD2 PRO A 315 16.284 -24.456 -3.108 1.00 72.12 H new ATOM 0 HD3 PRO A 315 17.596 -23.384 -2.659 1.00 72.12 H new ATOM 1114 N LEU A 316 12.674 -22.831 -0.259 1.00 12.04 N ATOM 1115 CA LEU A 316 11.372 -23.448 -0.070 1.00 53.42 C ATOM 1116 C LEU A 316 10.585 -23.378 -1.380 1.00 72.05 C ATOM 1117 O LEU A 316 9.561 -22.701 -1.459 1.00 10.24 O ATOM 1118 CB LEU A 316 10.645 -22.813 1.118 1.00 64.42 C ATOM 1119 CG LEU A 316 11.287 -23.031 2.490 1.00 51.42 C ATOM 1120 CD1 LEU A 316 12.262 -21.900 2.824 1.00 64.51 C ATOM 1121 CD2 LEU A 316 10.220 -23.206 3.572 1.00 0.34 C ATOM 0 H LEU A 316 12.709 -21.834 -0.044 1.00 12.04 H new ATOM 0 HA LEU A 316 11.483 -24.503 0.181 1.00 53.42 H new ATOM 0 HB2 LEU A 316 10.568 -21.740 0.941 1.00 64.42 H new ATOM 0 HB3 LEU A 316 9.628 -23.204 1.148 1.00 64.42 H new ATOM 0 HG LEU A 316 11.865 -23.955 2.455 1.00 51.42 H new ATOM 0 HD11 LEU A 316 12.705 -22.079 3.804 1.00 64.51 H new ATOM 0 HD12 LEU A 316 13.049 -21.864 2.071 1.00 64.51 H new ATOM 0 HD13 LEU A 316 11.727 -20.950 2.835 1.00 64.51 H new ATOM 0 HD21 LEU A 316 10.702 -23.359 4.537 1.00 0.34 H new ATOM 0 HD22 LEU A 316 9.596 -22.313 3.616 1.00 0.34 H new ATOM 0 HD23 LEU A 316 9.600 -24.070 3.335 1.00 0.34 H new ATOM 1133 N SER A 317 11.093 -24.088 -2.377 1.00 41.42 N ATOM 1134 CA SER A 317 10.451 -24.115 -3.680 1.00 53.12 C ATOM 1135 C SER A 317 9.341 -25.168 -3.695 1.00 21.34 C ATOM 1136 O SER A 317 9.507 -26.258 -3.148 1.00 2.51 O ATOM 1137 CB SER A 317 11.466 -24.398 -4.789 1.00 60.20 C ATOM 1138 OG SER A 317 11.977 -25.727 -4.718 1.00 42.41 O ATOM 0 H SER A 317 11.942 -24.649 -2.308 1.00 41.42 H new ATOM 0 HA SER A 317 10.015 -23.134 -3.866 1.00 53.12 H new ATOM 0 HB2 SER A 317 10.996 -24.242 -5.760 1.00 60.20 H new ATOM 0 HB3 SER A 317 12.290 -23.688 -4.716 1.00 60.20 H new ATOM 0 HG SER A 317 12.620 -25.869 -5.443 1.00 42.41 H new ATOM 1144 N ASN A 318 8.234 -24.807 -4.326 1.00 50.31 N ATOM 1145 CA ASN A 318 7.097 -25.707 -4.419 1.00 63.00 C ATOM 1146 C ASN A 318 6.445 -25.841 -3.042 1.00 34.22 C ATOM 1147 O ASN A 318 5.769 -26.831 -2.765 1.00 23.33 O ATOM 1148 CB ASN A 318 7.535 -27.101 -4.873 1.00 34.12 C ATOM 1149 CG ASN A 318 6.747 -27.549 -6.105 1.00 54.25 C ATOM 1150 OD1 ASN A 318 7.249 -27.583 -7.217 1.00 12.52 O ATOM 1151 ND2 ASN A 318 5.487 -27.890 -5.848 1.00 1.30 N ATOM 0 H ASN A 318 8.100 -23.903 -4.778 1.00 50.31 H new ATOM 0 HA ASN A 318 6.398 -25.294 -5.146 1.00 63.00 H new ATOM 0 HB2 ASN A 318 8.601 -27.095 -5.101 1.00 34.12 H new ATOM 0 HB3 ASN A 318 7.387 -27.815 -4.063 1.00 34.12 H new ATOM 0 HD21 ASN A 318 4.879 -28.203 -6.605 1.00 1.30 H new ATOM 0 HD22 ASN A 318 5.129 -27.839 -4.894 1.00 1.30 H new ATOM 1158 N TYR A 319 6.669 -24.831 -2.215 1.00 1.41 N ATOM 1159 CA TYR A 319 6.111 -24.823 -0.873 1.00 62.22 C ATOM 1160 C TYR A 319 4.916 -23.872 -0.781 1.00 63.04 C ATOM 1161 O TYR A 319 4.703 -23.050 -1.671 1.00 40.11 O ATOM 1162 CB TYR A 319 7.225 -24.314 0.044 1.00 40.13 C ATOM 1163 CG TYR A 319 8.195 -25.402 0.508 1.00 31.04 C ATOM 1164 CD1 TYR A 319 8.546 -26.425 -0.349 1.00 21.33 C ATOM 1165 CD2 TYR A 319 8.719 -25.361 1.785 1.00 55.44 C ATOM 1166 CE1 TYR A 319 9.459 -27.450 0.089 1.00 51.54 C ATOM 1167 CE2 TYR A 319 9.631 -26.385 2.222 1.00 44.21 C ATOM 1168 CZ TYR A 319 9.957 -27.379 1.352 1.00 14.33 C ATOM 1169 OH TYR A 319 10.819 -28.346 1.765 1.00 33.04 O ATOM 0 H TYR A 319 7.230 -24.012 -2.448 1.00 1.41 H new ATOM 0 HA TYR A 319 5.764 -25.818 -0.596 1.00 62.22 H new ATOM 0 HB2 TYR A 319 7.787 -23.540 -0.479 1.00 40.13 H new ATOM 0 HB3 TYR A 319 6.775 -23.845 0.919 1.00 40.13 H new ATOM 0 HD1 TYR A 319 8.136 -26.457 -1.348 1.00 21.33 H new ATOM 0 HD2 TYR A 319 8.444 -24.560 2.456 1.00 55.44 H new ATOM 0 HE1 TYR A 319 9.741 -28.257 -0.571 1.00 51.54 H new ATOM 0 HE2 TYR A 319 10.047 -26.365 3.218 1.00 44.21 H new ATOM 0 HH TYR A 319 10.361 -29.212 1.769 1.00 33.04 H new ATOM 1179 N THR A 320 4.168 -24.016 0.303 1.00 43.33 N ATOM 1180 CA THR A 320 3.000 -23.179 0.522 1.00 25.53 C ATOM 1181 C THR A 320 3.377 -21.942 1.340 1.00 34.30 C ATOM 1182 O THR A 320 3.036 -20.821 0.968 1.00 53.42 O ATOM 1183 CB THR A 320 1.921 -24.039 1.183 1.00 71.23 C ATOM 1184 OG1 THR A 320 1.471 -24.896 0.137 1.00 63.04 O ATOM 1185 CG2 THR A 320 0.679 -23.230 1.562 1.00 74.44 C ATOM 0 H THR A 320 4.348 -24.699 1.039 1.00 43.33 H new ATOM 0 HA THR A 320 2.602 -22.799 -0.419 1.00 25.53 H new ATOM 0 HB THR A 320 2.331 -24.514 2.074 1.00 71.23 H new ATOM 0 HG1 THR A 320 0.770 -25.490 0.479 1.00 63.04 H new ATOM 0 HG21 THR A 320 -0.055 -23.887 2.027 1.00 74.44 H new ATOM 0 HG22 THR A 320 0.957 -22.443 2.263 1.00 74.44 H new ATOM 0 HG23 THR A 320 0.249 -22.782 0.666 1.00 74.44 H new ATOM 1193 N MET A 321 4.074 -22.189 2.439 1.00 3.51 N ATOM 1194 CA MET A 321 4.500 -21.108 3.313 1.00 65.53 C ATOM 1195 C MET A 321 3.511 -19.942 3.266 1.00 61.34 C ATOM 1196 O MET A 321 3.863 -18.842 2.843 1.00 12.11 O ATOM 1197 CB MET A 321 5.886 -20.621 2.883 1.00 14.33 C ATOM 1198 CG MET A 321 6.074 -20.765 1.372 1.00 75.33 C ATOM 1199 SD MET A 321 7.473 -19.797 0.835 1.00 3.52 S ATOM 1200 CE MET A 321 8.675 -20.281 2.063 1.00 32.21 C ATOM 0 H MET A 321 4.355 -23.121 2.745 1.00 3.51 H new ATOM 0 HA MET A 321 4.538 -21.485 4.335 1.00 65.53 H new ATOM 0 HB2 MET A 321 6.014 -19.578 3.171 1.00 14.33 H new ATOM 0 HB3 MET A 321 6.654 -21.192 3.405 1.00 14.33 H new ATOM 0 HG2 MET A 321 6.227 -21.813 1.115 1.00 75.33 H new ATOM 0 HG3 MET A 321 5.174 -20.437 0.852 1.00 75.33 H new ATOM 0 HE1 MET A 321 9.678 -20.066 1.695 1.00 32.21 H new ATOM 0 HE2 MET A 321 8.499 -19.724 2.983 1.00 32.21 H new ATOM 0 HE3 MET A 321 8.582 -21.349 2.262 1.00 32.21 H new ATOM 1210 N LYS A 322 2.293 -20.223 3.705 1.00 23.12 N ATOM 1211 CA LYS A 322 1.251 -19.211 3.719 1.00 75.25 C ATOM 1212 C LYS A 322 1.259 -18.494 5.070 1.00 33.52 C ATOM 1213 O LYS A 322 2.166 -18.693 5.877 1.00 72.32 O ATOM 1214 CB LYS A 322 -0.102 -19.830 3.359 1.00 64.41 C ATOM 1215 CG LYS A 322 -0.153 -20.213 1.878 1.00 12.52 C ATOM 1216 CD LYS A 322 -1.428 -20.995 1.558 1.00 33.10 C ATOM 1217 CE LYS A 322 -1.649 -21.089 0.047 1.00 62.50 C ATOM 1218 NZ LYS A 322 -3.094 -21.054 -0.269 1.00 53.31 N ATOM 0 H LYS A 322 2.005 -21.137 4.054 1.00 23.12 H new ATOM 0 HA LYS A 322 1.444 -18.456 2.957 1.00 75.25 H new ATOM 0 HB2 LYS A 322 -0.277 -20.713 3.973 1.00 64.41 H new ATOM 0 HB3 LYS A 322 -0.901 -19.123 3.583 1.00 64.41 H new ATOM 0 HG2 LYS A 322 -0.110 -19.313 1.264 1.00 12.52 H new ATOM 0 HG3 LYS A 322 0.720 -20.814 1.624 1.00 12.52 H new ATOM 0 HD2 LYS A 322 -1.361 -21.997 1.982 1.00 33.10 H new ATOM 0 HD3 LYS A 322 -2.284 -20.508 2.025 1.00 33.10 H new ATOM 0 HE2 LYS A 322 -1.141 -20.264 -0.453 1.00 62.50 H new ATOM 0 HE3 LYS A 322 -1.210 -22.011 -0.334 1.00 62.50 H new ATOM 0 HZ1 LYS A 322 -3.275 -21.612 -1.128 1.00 53.31 H new ATOM 0 HZ2 LYS A 322 -3.633 -21.456 0.525 1.00 53.31 H new ATOM 0 HZ3 LYS A 322 -3.391 -20.070 -0.426 1.00 53.31 H new ATOM 1231 N VAL A 323 0.238 -17.676 5.276 1.00 53.51 N ATOM 1232 CA VAL A 323 0.116 -16.928 6.516 1.00 72.10 C ATOM 1233 C VAL A 323 -1.365 -16.691 6.820 1.00 22.01 C ATOM 1234 O VAL A 323 -2.122 -16.270 5.947 1.00 61.43 O ATOM 1235 CB VAL A 323 0.923 -15.631 6.427 1.00 70.41 C ATOM 1236 CG1 VAL A 323 1.280 -15.111 7.821 1.00 60.03 C ATOM 1237 CG2 VAL A 323 2.179 -15.825 5.575 1.00 2.13 C ATOM 0 H VAL A 323 -0.513 -17.514 4.605 1.00 53.51 H new ATOM 0 HA VAL A 323 0.532 -17.497 7.348 1.00 72.10 H new ATOM 0 HB VAL A 323 0.300 -14.881 5.940 1.00 70.41 H new ATOM 0 HG11 VAL A 323 1.853 -14.189 7.729 1.00 60.03 H new ATOM 0 HG12 VAL A 323 0.366 -14.916 8.382 1.00 60.03 H new ATOM 0 HG13 VAL A 323 1.876 -15.858 8.346 1.00 60.03 H new ATOM 0 HG21 VAL A 323 2.735 -14.889 5.528 1.00 2.13 H new ATOM 0 HG22 VAL A 323 2.806 -16.597 6.022 1.00 2.13 H new ATOM 0 HG23 VAL A 323 1.892 -16.128 4.568 1.00 2.13 H new ATOM 1247 N VAL A 324 -1.733 -16.971 8.062 1.00 73.25 N ATOM 1248 CA VAL A 324 -3.110 -16.794 8.492 1.00 42.33 C ATOM 1249 C VAL A 324 -3.159 -15.756 9.615 1.00 43.33 C ATOM 1250 O VAL A 324 -2.126 -15.222 10.017 1.00 31.11 O ATOM 1251 CB VAL A 324 -3.709 -18.142 8.897 1.00 13.21 C ATOM 1252 CG1 VAL A 324 -3.986 -19.010 7.669 1.00 60.55 C ATOM 1253 CG2 VAL A 324 -2.801 -18.869 9.890 1.00 23.41 C ATOM 0 H VAL A 324 -1.102 -17.319 8.784 1.00 73.25 H new ATOM 0 HA VAL A 324 -3.721 -16.416 7.672 1.00 42.33 H new ATOM 0 HB VAL A 324 -4.661 -17.951 9.392 1.00 13.21 H new ATOM 0 HG11 VAL A 324 -4.411 -19.962 7.985 1.00 60.55 H new ATOM 0 HG12 VAL A 324 -4.690 -18.498 7.013 1.00 60.55 H new ATOM 0 HG13 VAL A 324 -3.054 -19.189 7.132 1.00 60.55 H new ATOM 0 HG21 VAL A 324 -3.250 -19.824 10.162 1.00 23.41 H new ATOM 0 HG22 VAL A 324 -1.827 -19.043 9.433 1.00 23.41 H new ATOM 0 HG23 VAL A 324 -2.678 -18.259 10.785 1.00 23.41 H new ATOM 1263 N ASN A 325 -4.369 -15.500 10.089 1.00 73.52 N ATOM 1264 CA ASN A 325 -4.566 -14.536 11.157 1.00 14.24 C ATOM 1265 C ASN A 325 -4.931 -15.276 12.446 1.00 42.00 C ATOM 1266 O ASN A 325 -4.780 -16.494 12.530 1.00 2.24 O ATOM 1267 CB ASN A 325 -5.708 -13.573 10.826 1.00 12.24 C ATOM 1268 CG ASN A 325 -5.430 -12.178 11.390 1.00 42.12 C ATOM 1269 OD1 ASN A 325 -4.551 -11.976 12.212 1.00 71.13 O ATOM 1270 ND2 ASN A 325 -6.225 -11.229 10.903 1.00 31.44 N ATOM 0 H ASN A 325 -5.223 -15.944 9.753 1.00 73.52 H new ATOM 0 HA ASN A 325 -3.641 -13.972 11.276 1.00 14.24 H new ATOM 0 HB2 ASN A 325 -5.836 -13.513 9.745 1.00 12.24 H new ATOM 0 HB3 ASN A 325 -6.642 -13.956 11.237 1.00 12.24 H new ATOM 0 HD21 ASN A 325 -6.118 -10.264 11.216 1.00 31.44 H new ATOM 0 HD22 ASN A 325 -6.941 -11.466 10.217 1.00 31.44 H new ATOM 1277 N GLN A 326 -5.404 -14.509 13.417 1.00 23.25 N ATOM 1278 CA GLN A 326 -5.791 -15.077 14.698 1.00 62.02 C ATOM 1279 C GLN A 326 -6.998 -16.001 14.525 1.00 23.53 C ATOM 1280 O GLN A 326 -7.364 -16.728 15.447 1.00 30.54 O ATOM 1281 CB GLN A 326 -6.085 -13.977 15.719 1.00 3.42 C ATOM 1282 CG GLN A 326 -7.495 -13.416 15.530 1.00 15.52 C ATOM 1283 CD GLN A 326 -7.809 -12.353 16.585 1.00 3.43 C ATOM 1284 OE1 GLN A 326 -8.742 -12.468 17.362 1.00 34.21 O ATOM 1285 NE2 GLN A 326 -6.978 -11.314 16.570 1.00 54.22 N ATOM 0 H GLN A 326 -5.528 -13.499 13.343 1.00 23.25 H new ATOM 0 HA GLN A 326 -4.957 -15.667 15.079 1.00 62.02 H new ATOM 0 HB2 GLN A 326 -5.981 -14.375 16.728 1.00 3.42 H new ATOM 0 HB3 GLN A 326 -5.354 -13.175 15.616 1.00 3.42 H new ATOM 0 HG2 GLN A 326 -7.587 -12.983 14.534 1.00 15.52 H new ATOM 0 HG3 GLN A 326 -8.223 -14.224 15.595 1.00 15.52 H new ATOM 0 HE21 GLN A 326 -6.216 -11.280 15.892 1.00 54.22 H new ATOM 0 HE22 GLN A 326 -7.103 -10.552 17.236 1.00 54.22 H new ATOM 1294 N ASP A 327 -7.582 -15.943 13.338 1.00 74.42 N ATOM 1295 CA ASP A 327 -8.740 -16.766 13.033 1.00 74.43 C ATOM 1296 C ASP A 327 -8.328 -17.884 12.072 1.00 2.33 C ATOM 1297 O ASP A 327 -9.173 -18.474 11.402 1.00 71.33 O ATOM 1298 CB ASP A 327 -9.838 -15.943 12.356 1.00 34.14 C ATOM 1299 CG ASP A 327 -10.633 -15.032 13.293 1.00 11.55 C ATOM 1300 OD1 ASP A 327 -11.517 -15.490 14.033 1.00 64.01 O ATOM 1301 OD2 ASP A 327 -10.309 -13.784 13.244 1.00 14.23 O ATOM 0 H ASP A 327 -7.275 -15.339 12.576 1.00 74.42 H new ATOM 0 HA ASP A 327 -9.120 -17.173 13.970 1.00 74.43 H new ATOM 0 HB2 ASP A 327 -9.384 -15.331 11.577 1.00 34.14 H new ATOM 0 HB3 ASP A 327 -10.531 -16.625 11.863 1.00 34.14 H new ATOM 1307 N GLY A 328 -7.028 -18.140 12.037 1.00 54.03 N ATOM 1308 CA GLY A 328 -6.493 -19.176 11.170 1.00 55.04 C ATOM 1309 C GLY A 328 -6.914 -18.946 9.717 1.00 75.44 C ATOM 1310 O GLY A 328 -6.854 -19.862 8.897 1.00 42.50 O ATOM 0 H GLY A 328 -6.330 -17.648 12.595 1.00 54.03 H new ATOM 0 HA2 GLY A 328 -5.405 -19.188 11.240 1.00 55.04 H new ATOM 0 HA3 GLY A 328 -6.844 -20.152 11.504 1.00 55.04 H new ATOM 1314 N GLU A 329 -7.332 -17.719 9.442 1.00 61.31 N ATOM 1315 CA GLU A 329 -7.763 -17.358 8.102 1.00 1.11 C ATOM 1316 C GLU A 329 -6.575 -16.853 7.281 1.00 51.24 C ATOM 1317 O GLU A 329 -5.897 -15.907 7.680 1.00 71.25 O ATOM 1318 CB GLU A 329 -8.881 -16.314 8.149 1.00 63.24 C ATOM 1319 CG GLU A 329 -8.310 -14.909 8.348 1.00 14.51 C ATOM 1320 CD GLU A 329 -9.379 -13.955 8.885 1.00 12.53 C ATOM 1321 OE1 GLU A 329 -9.149 -12.738 8.947 1.00 54.50 O ATOM 1322 OE2 GLU A 329 -10.482 -14.518 9.246 1.00 71.45 O ATOM 0 H GLU A 329 -7.381 -16.962 10.124 1.00 61.31 H new ATOM 0 HA GLU A 329 -8.162 -18.249 7.617 1.00 1.11 H new ATOM 0 HB2 GLU A 329 -9.456 -16.349 7.223 1.00 63.24 H new ATOM 0 HB3 GLU A 329 -9.569 -16.549 8.961 1.00 63.24 H new ATOM 0 HG2 GLU A 329 -7.471 -14.948 9.042 1.00 14.51 H new ATOM 0 HG3 GLU A 329 -7.923 -14.532 7.401 1.00 14.51 H new ATOM 1330 N THR A 330 -6.359 -17.506 6.148 1.00 13.22 N ATOM 1331 CA THR A 330 -5.265 -17.135 5.267 1.00 11.20 C ATOM 1332 C THR A 330 -5.367 -15.657 4.883 1.00 31.32 C ATOM 1333 O THR A 330 -6.315 -15.250 4.213 1.00 63.42 O ATOM 1334 CB THR A 330 -5.287 -18.078 4.063 1.00 61.41 C ATOM 1335 OG1 THR A 330 -5.617 -19.347 4.622 1.00 52.12 O ATOM 1336 CG2 THR A 330 -3.897 -18.288 3.458 1.00 33.20 C ATOM 0 H THR A 330 -6.923 -18.290 5.820 1.00 13.22 H new ATOM 0 HA THR A 330 -4.302 -17.243 5.766 1.00 11.20 H new ATOM 0 HB THR A 330 -5.958 -17.679 3.302 1.00 61.41 H new ATOM 0 HG1 THR A 330 -6.550 -19.563 4.415 1.00 52.12 H new ATOM 0 HG21 THR A 330 -3.969 -18.965 2.607 1.00 33.20 H new ATOM 0 HG22 THR A 330 -3.496 -17.330 3.127 1.00 33.20 H new ATOM 0 HG23 THR A 330 -3.235 -18.718 4.209 1.00 33.20 H new ATOM 1344 N ILE A 331 -4.378 -14.895 5.325 1.00 41.42 N ATOM 1345 CA ILE A 331 -4.344 -13.471 5.036 1.00 53.11 C ATOM 1346 C ILE A 331 -3.426 -13.220 3.838 1.00 52.40 C ATOM 1347 O ILE A 331 -3.748 -12.418 2.962 1.00 1.24 O ATOM 1348 CB ILE A 331 -3.955 -12.680 6.286 1.00 4.40 C ATOM 1349 CG1 ILE A 331 -2.466 -12.848 6.600 1.00 55.54 C ATOM 1350 CG2 ILE A 331 -4.838 -13.063 7.475 1.00 22.21 C ATOM 1351 CD1 ILE A 331 -2.131 -12.286 7.983 1.00 62.03 C ATOM 0 H ILE A 331 -3.594 -15.236 5.881 1.00 41.42 H new ATOM 0 HA ILE A 331 -5.336 -13.115 4.758 1.00 53.11 H new ATOM 0 HB ILE A 331 -4.125 -11.622 6.087 1.00 4.40 H new ATOM 0 HG12 ILE A 331 -2.199 -13.904 6.558 1.00 55.54 H new ATOM 0 HG13 ILE A 331 -1.871 -12.338 5.842 1.00 55.54 H new ATOM 0 HG21 ILE A 331 -4.540 -12.486 8.350 1.00 22.21 H new ATOM 0 HG22 ILE A 331 -5.880 -12.850 7.238 1.00 22.21 H new ATOM 0 HG23 ILE A 331 -4.724 -14.126 7.685 1.00 22.21 H new ATOM 0 HD11 ILE A 331 -1.067 -12.418 8.181 1.00 62.03 H new ATOM 0 HD12 ILE A 331 -2.377 -11.225 8.014 1.00 62.03 H new ATOM 0 HD13 ILE A 331 -2.710 -12.815 8.740 1.00 62.03 H new ATOM 1363 N LEU A 332 -2.301 -13.920 3.838 1.00 55.31 N ATOM 1364 CA LEU A 332 -1.335 -13.783 2.762 1.00 44.40 C ATOM 1365 C LEU A 332 -0.799 -15.165 2.384 1.00 3.03 C ATOM 1366 O LEU A 332 -0.935 -16.118 3.150 1.00 53.01 O ATOM 1367 CB LEU A 332 -0.242 -12.784 3.148 1.00 43.32 C ATOM 1368 CG LEU A 332 -0.399 -11.368 2.588 1.00 24.41 C ATOM 1369 CD1 LEU A 332 0.855 -10.533 2.851 1.00 4.44 C ATOM 1370 CD2 LEU A 332 -0.763 -11.404 1.102 1.00 5.54 C ATOM 0 H LEU A 332 -2.037 -14.584 4.566 1.00 55.31 H new ATOM 0 HA LEU A 332 -1.812 -13.372 1.872 1.00 44.40 H new ATOM 0 HB2 LEU A 332 -0.203 -12.721 4.235 1.00 43.32 H new ATOM 0 HB3 LEU A 332 0.718 -13.180 2.817 1.00 43.32 H new ATOM 0 HG LEU A 332 -1.224 -10.883 3.110 1.00 24.41 H new ATOM 0 HD11 LEU A 332 0.717 -9.532 2.443 1.00 4.44 H new ATOM 0 HD12 LEU A 332 1.029 -10.467 3.925 1.00 4.44 H new ATOM 0 HD13 LEU A 332 1.713 -11.005 2.373 1.00 4.44 H new ATOM 0 HD21 LEU A 332 -0.869 -10.385 0.729 1.00 5.54 H new ATOM 0 HD22 LEU A 332 0.024 -11.914 0.547 1.00 5.54 H new ATOM 0 HD23 LEU A 332 -1.704 -11.938 0.971 1.00 5.54 H new ATOM 1382 N VAL A 333 -0.200 -15.230 1.204 1.00 32.31 N ATOM 1383 CA VAL A 333 0.357 -16.480 0.716 1.00 71.24 C ATOM 1384 C VAL A 333 1.569 -16.182 -0.169 1.00 21.11 C ATOM 1385 O VAL A 333 1.486 -15.371 -1.090 1.00 13.13 O ATOM 1386 CB VAL A 333 -0.724 -17.289 -0.004 1.00 52.14 C ATOM 1387 CG1 VAL A 333 -1.844 -17.687 0.959 1.00 52.21 C ATOM 1388 CG2 VAL A 333 -1.280 -16.517 -1.203 1.00 1.55 C ATOM 0 H VAL A 333 -0.088 -14.437 0.572 1.00 32.31 H new ATOM 0 HA VAL A 333 0.704 -17.094 1.547 1.00 71.24 H new ATOM 0 HB VAL A 333 -0.264 -18.203 -0.379 1.00 52.14 H new ATOM 0 HG11 VAL A 333 -2.599 -18.261 0.422 1.00 52.21 H new ATOM 0 HG12 VAL A 333 -1.432 -18.294 1.765 1.00 52.21 H new ATOM 0 HG13 VAL A 333 -2.300 -16.790 1.377 1.00 52.21 H new ATOM 0 HG21 VAL A 333 -2.046 -17.114 -1.697 1.00 1.55 H new ATOM 0 HG22 VAL A 333 -1.716 -15.578 -0.861 1.00 1.55 H new ATOM 0 HG23 VAL A 333 -0.474 -16.308 -1.906 1.00 1.55 H new ATOM 1398 N GLY A 334 2.668 -16.854 0.142 1.00 72.42 N ATOM 1399 CA GLY A 334 3.896 -16.672 -0.613 1.00 54.34 C ATOM 1400 C GLY A 334 3.934 -17.598 -1.830 1.00 70.34 C ATOM 1401 O GLY A 334 4.009 -18.817 -1.685 1.00 35.43 O ATOM 0 H GLY A 334 2.733 -17.526 0.907 1.00 72.42 H new ATOM 0 HA2 GLY A 334 3.977 -15.635 -0.938 1.00 54.34 H new ATOM 0 HA3 GLY A 334 4.754 -16.873 0.028 1.00 54.34 H new ATOM 1405 N LYS A 335 3.881 -16.984 -3.003 1.00 62.53 N ATOM 1406 CA LYS A 335 3.909 -17.739 -4.245 1.00 31.12 C ATOM 1407 C LYS A 335 5.077 -18.726 -4.211 1.00 23.25 C ATOM 1408 O LYS A 335 5.056 -19.743 -4.903 1.00 2.14 O ATOM 1409 CB LYS A 335 3.938 -16.793 -5.447 1.00 5.45 C ATOM 1410 CG LYS A 335 5.368 -16.343 -5.756 1.00 21.44 C ATOM 1411 CD LYS A 335 5.889 -15.392 -4.677 1.00 1.14 C ATOM 1412 CE LYS A 335 7.363 -15.054 -4.909 1.00 41.10 C ATOM 1413 NZ LYS A 335 7.976 -16.024 -5.844 1.00 51.54 N ATOM 0 H LYS A 335 3.819 -15.973 -3.120 1.00 62.53 H new ATOM 0 HA LYS A 335 2.998 -18.327 -4.354 1.00 31.12 H new ATOM 0 HB2 LYS A 335 3.514 -17.293 -6.318 1.00 5.45 H new ATOM 0 HB3 LYS A 335 3.315 -15.922 -5.244 1.00 5.45 H new ATOM 0 HG2 LYS A 335 6.020 -17.214 -5.824 1.00 21.44 H new ATOM 0 HG3 LYS A 335 5.395 -15.848 -6.726 1.00 21.44 H new ATOM 0 HD2 LYS A 335 5.298 -14.476 -4.678 1.00 1.14 H new ATOM 0 HD3 LYS A 335 5.767 -15.849 -3.695 1.00 1.14 H new ATOM 0 HE2 LYS A 335 7.452 -14.045 -5.312 1.00 41.10 H new ATOM 0 HE3 LYS A 335 7.899 -15.066 -3.960 1.00 41.10 H new ATOM 0 HZ1 LYS A 335 9.003 -15.864 -5.886 1.00 51.54 H new ATOM 0 HZ2 LYS A 335 7.789 -16.992 -5.512 1.00 51.54 H new ATOM 0 HZ3 LYS A 335 7.567 -15.898 -6.792 1.00 51.54 H new ATOM 1426 N CYS A 336 6.069 -18.392 -3.398 1.00 61.01 N ATOM 1427 CA CYS A 336 7.244 -19.236 -3.264 1.00 60.45 C ATOM 1428 C CYS A 336 7.995 -19.229 -4.598 1.00 32.25 C ATOM 1429 O CYS A 336 7.436 -18.851 -5.626 1.00 65.44 O ATOM 1430 CB CYS A 336 6.874 -20.655 -2.825 1.00 44.43 C ATOM 1431 SG CYS A 336 6.845 -21.771 -4.275 1.00 22.00 S ATOM 0 H CYS A 336 6.083 -17.548 -2.825 1.00 61.01 H new ATOM 0 HA CYS A 336 7.892 -18.841 -2.481 1.00 60.45 H new ATOM 0 HB2 CYS A 336 7.594 -21.017 -2.091 1.00 44.43 H new ATOM 0 HB3 CYS A 336 5.898 -20.651 -2.339 1.00 44.43 H new ATOM 0 HG CYS A 336 6.031 -21.297 -5.171 1.00 22.00 H new ATOM 1437 N ALA A 337 9.249 -19.651 -4.536 1.00 62.10 N ATOM 1438 CA ALA A 337 10.082 -19.698 -5.726 1.00 23.04 C ATOM 1439 C ALA A 337 11.417 -20.362 -5.382 1.00 43.22 C ATOM 1440 O ALA A 337 11.598 -20.864 -4.274 1.00 71.42 O ATOM 1441 CB ALA A 337 10.260 -18.283 -6.281 1.00 22.45 C ATOM 0 H ALA A 337 9.709 -19.963 -3.681 1.00 62.10 H new ATOM 0 HA ALA A 337 9.607 -20.296 -6.504 1.00 23.04 H new ATOM 0 HB1 ALA A 337 10.885 -18.318 -7.173 1.00 22.45 H new ATOM 0 HB2 ALA A 337 9.285 -17.867 -6.536 1.00 22.45 H new ATOM 0 HB3 ALA A 337 10.737 -17.654 -5.529 1.00 22.45 H new ATOM 1447 N ASP A 338 12.318 -20.342 -6.353 1.00 65.23 N ATOM 1448 CA ASP A 338 13.632 -20.936 -6.168 1.00 14.03 C ATOM 1449 C ASP A 338 14.600 -19.871 -5.649 1.00 54.42 C ATOM 1450 O ASP A 338 15.637 -19.620 -6.260 1.00 43.51 O ATOM 1451 CB ASP A 338 14.184 -21.474 -7.489 1.00 24.22 C ATOM 1452 CG ASP A 338 15.572 -22.113 -7.397 1.00 74.10 C ATOM 1453 OD1 ASP A 338 16.565 -21.557 -7.889 1.00 74.14 O ATOM 1454 OD2 ASP A 338 15.610 -23.246 -6.781 1.00 4.44 O ATOM 0 H ASP A 338 12.164 -19.924 -7.271 1.00 65.23 H new ATOM 0 HA ASP A 338 13.534 -21.757 -5.458 1.00 14.03 H new ATOM 0 HB2 ASP A 338 13.486 -22.212 -7.883 1.00 24.22 H new ATOM 0 HB3 ASP A 338 14.224 -20.656 -8.209 1.00 24.22 H new ATOM 1460 N SER A 339 14.226 -19.273 -4.528 1.00 13.44 N ATOM 1461 CA SER A 339 15.048 -18.240 -3.920 1.00 12.00 C ATOM 1462 C SER A 339 14.401 -17.753 -2.622 1.00 3.13 C ATOM 1463 O SER A 339 13.186 -17.572 -2.559 1.00 22.22 O ATOM 1464 CB SER A 339 15.259 -17.068 -4.880 1.00 54.23 C ATOM 1465 OG SER A 339 15.978 -16.000 -4.269 1.00 53.24 O ATOM 0 H SER A 339 13.364 -19.484 -4.024 1.00 13.44 H new ATOM 0 HA SER A 339 16.024 -18.669 -3.693 1.00 12.00 H new ATOM 0 HB2 SER A 339 15.801 -17.413 -5.760 1.00 54.23 H new ATOM 0 HB3 SER A 339 14.291 -16.703 -5.225 1.00 54.23 H new ATOM 0 HG SER A 339 16.094 -15.272 -4.915 1.00 53.24 H new ATOM 1471 N ASN A 340 15.243 -17.554 -1.618 1.00 35.14 N ATOM 1472 CA ASN A 340 14.768 -17.091 -0.324 1.00 63.53 C ATOM 1473 C ASN A 340 13.770 -15.950 -0.530 1.00 61.44 C ATOM 1474 O ASN A 340 12.891 -15.732 0.302 1.00 42.22 O ATOM 1475 CB ASN A 340 15.923 -16.561 0.528 1.00 32.42 C ATOM 1476 CG ASN A 340 17.081 -17.560 0.565 1.00 61.44 C ATOM 1477 OD1 ASN A 340 18.207 -17.259 0.204 1.00 52.53 O ATOM 1478 ND2 ASN A 340 16.744 -18.764 1.019 1.00 14.32 N ATOM 0 H ASN A 340 16.250 -17.705 -1.674 1.00 35.14 H new ATOM 0 HA ASN A 340 14.301 -17.934 0.185 1.00 63.53 H new ATOM 0 HB2 ASN A 340 16.271 -15.610 0.124 1.00 32.42 H new ATOM 0 HB3 ASN A 340 15.573 -16.367 1.542 1.00 32.42 H new ATOM 0 HD21 ASN A 340 17.447 -19.501 1.081 1.00 14.32 H new ATOM 0 HD22 ASN A 340 15.783 -18.950 1.305 1.00 14.32 H new ATOM 1485 N GLU A 341 13.939 -15.253 -1.644 1.00 42.11 N ATOM 1486 CA GLU A 341 13.064 -14.140 -1.970 1.00 40.31 C ATOM 1487 C GLU A 341 11.632 -14.634 -2.180 1.00 74.51 C ATOM 1488 O GLU A 341 11.369 -15.419 -3.090 1.00 63.41 O ATOM 1489 CB GLU A 341 13.570 -13.387 -3.202 1.00 42.11 C ATOM 1490 CG GLU A 341 14.381 -12.154 -2.797 1.00 20.41 C ATOM 1491 CD GLU A 341 15.313 -11.715 -3.928 1.00 0.00 C ATOM 1492 OE1 GLU A 341 16.480 -11.382 -3.675 1.00 64.03 O ATOM 1493 OE2 GLU A 341 14.786 -11.728 -5.105 1.00 74.22 O ATOM 0 H GLU A 341 14.669 -15.438 -2.332 1.00 42.11 H new ATOM 0 HA GLU A 341 13.068 -13.443 -1.132 1.00 40.31 H new ATOM 0 HB2 GLU A 341 14.187 -14.049 -3.809 1.00 42.11 H new ATOM 0 HB3 GLU A 341 12.725 -13.084 -3.820 1.00 42.11 H new ATOM 0 HG2 GLU A 341 13.705 -11.338 -2.540 1.00 20.41 H new ATOM 0 HG3 GLU A 341 14.966 -12.376 -1.904 1.00 20.41 H new ATOM 1501 N ILE A 342 10.742 -14.155 -1.323 1.00 62.00 N ATOM 1502 CA ILE A 342 9.343 -14.539 -1.403 1.00 41.22 C ATOM 1503 C ILE A 342 8.467 -13.325 -1.089 1.00 12.34 C ATOM 1504 O ILE A 342 8.590 -12.726 -0.021 1.00 51.44 O ATOM 1505 CB ILE A 342 9.066 -15.746 -0.505 1.00 64.20 C ATOM 1506 CG1 ILE A 342 10.011 -16.904 -0.836 1.00 0.53 C ATOM 1507 CG2 ILE A 342 7.597 -16.165 -0.586 1.00 51.42 C ATOM 1508 CD1 ILE A 342 9.893 -18.021 0.203 1.00 65.04 C ATOM 0 H ILE A 342 10.963 -13.504 -0.569 1.00 62.00 H new ATOM 0 HA ILE A 342 9.093 -14.860 -2.414 1.00 41.22 H new ATOM 0 HB ILE A 342 9.261 -15.455 0.527 1.00 64.20 H new ATOM 0 HG12 ILE A 342 9.778 -17.297 -1.826 1.00 0.53 H new ATOM 0 HG13 ILE A 342 11.038 -16.541 -0.871 1.00 0.53 H new ATOM 0 HG21 ILE A 342 7.428 -17.025 0.062 1.00 51.42 H new ATOM 0 HG22 ILE A 342 6.964 -15.338 -0.264 1.00 51.42 H new ATOM 0 HG23 ILE A 342 7.351 -16.431 -1.614 1.00 51.42 H new ATOM 0 HD11 ILE A 342 10.575 -18.832 -0.055 1.00 65.04 H new ATOM 0 HD12 ILE A 342 10.150 -17.631 1.188 1.00 65.04 H new ATOM 0 HD13 ILE A 342 8.870 -18.398 0.218 1.00 65.04 H new ATOM 1520 N THR A 343 7.602 -12.998 -2.037 1.00 54.23 N ATOM 1521 CA THR A 343 6.705 -11.866 -1.875 1.00 1.12 C ATOM 1522 C THR A 343 5.250 -12.337 -1.857 1.00 55.20 C ATOM 1523 O THR A 343 4.693 -12.683 -2.898 1.00 15.33 O ATOM 1524 CB THR A 343 7.005 -10.861 -2.989 1.00 22.30 C ATOM 1525 OG1 THR A 343 6.378 -11.421 -4.139 1.00 55.13 O ATOM 1526 CG2 THR A 343 8.490 -10.821 -3.357 1.00 72.30 C ATOM 0 H THR A 343 7.503 -13.497 -2.921 1.00 54.23 H new ATOM 0 HA THR A 343 6.865 -11.369 -0.918 1.00 1.12 H new ATOM 0 HB THR A 343 6.681 -9.868 -2.679 1.00 22.30 H new ATOM 0 HG1 THR A 343 5.919 -12.251 -3.890 1.00 55.13 H new ATOM 0 HG21 THR A 343 8.648 -10.092 -4.152 1.00 72.30 H new ATOM 0 HG22 THR A 343 9.074 -10.536 -2.482 1.00 72.30 H new ATOM 0 HG23 THR A 343 8.807 -11.806 -3.700 1.00 72.30 H new ATOM 1534 N LEU A 344 4.675 -12.335 -0.663 1.00 50.22 N ATOM 1535 CA LEU A 344 3.295 -12.758 -0.496 1.00 52.52 C ATOM 1536 C LEU A 344 2.389 -11.879 -1.362 1.00 32.54 C ATOM 1537 O LEU A 344 2.625 -10.680 -1.495 1.00 15.42 O ATOM 1538 CB LEU A 344 2.912 -12.764 0.985 1.00 20.12 C ATOM 1539 CG LEU A 344 3.318 -14.009 1.777 1.00 0.53 C ATOM 1540 CD1 LEU A 344 4.760 -14.412 1.463 1.00 32.30 C ATOM 1541 CD2 LEU A 344 3.095 -13.801 3.277 1.00 72.03 C ATOM 0 H LEU A 344 5.140 -12.047 0.198 1.00 50.22 H new ATOM 0 HA LEU A 344 3.167 -13.785 -0.839 1.00 52.52 H new ATOM 0 HB2 LEU A 344 3.362 -11.892 1.460 1.00 20.12 H new ATOM 0 HB3 LEU A 344 1.831 -12.646 1.061 1.00 20.12 H new ATOM 0 HG LEU A 344 2.678 -14.835 1.467 1.00 0.53 H new ATOM 0 HD11 LEU A 344 5.023 -15.299 2.039 1.00 32.30 H new ATOM 0 HD12 LEU A 344 4.854 -14.629 0.399 1.00 32.30 H new ATOM 0 HD13 LEU A 344 5.432 -13.595 1.727 1.00 32.30 H new ATOM 0 HD21 LEU A 344 3.391 -14.700 3.817 1.00 72.03 H new ATOM 0 HD22 LEU A 344 3.694 -12.958 3.620 1.00 72.03 H new ATOM 0 HD23 LEU A 344 2.041 -13.597 3.463 1.00 72.03 H new ATOM 1553 N LYS A 345 1.371 -12.512 -1.928 1.00 2.34 N ATOM 1554 CA LYS A 345 0.429 -11.803 -2.777 1.00 13.05 C ATOM 1555 C LYS A 345 -0.927 -11.726 -2.072 1.00 74.02 C ATOM 1556 O LYS A 345 -1.291 -10.684 -1.529 1.00 43.34 O ATOM 1557 CB LYS A 345 0.366 -12.448 -4.162 1.00 61.05 C ATOM 1558 CG LYS A 345 0.847 -13.900 -4.114 1.00 2.31 C ATOM 1559 CD LYS A 345 0.971 -14.484 -5.523 1.00 14.24 C ATOM 1560 CE LYS A 345 1.870 -13.612 -6.401 1.00 3.12 C ATOM 1561 NZ LYS A 345 1.066 -12.891 -7.412 1.00 54.13 N ATOM 0 H LYS A 345 1.178 -13.507 -1.815 1.00 2.34 H new ATOM 0 HA LYS A 345 0.762 -10.778 -2.943 1.00 13.05 H new ATOM 0 HB2 LYS A 345 -0.657 -12.412 -4.537 1.00 61.05 H new ATOM 0 HB3 LYS A 345 0.982 -11.880 -4.860 1.00 61.05 H new ATOM 0 HG2 LYS A 345 1.812 -13.951 -3.609 1.00 2.31 H new ATOM 0 HG3 LYS A 345 0.149 -14.499 -3.529 1.00 2.31 H new ATOM 0 HD2 LYS A 345 1.379 -15.493 -5.468 1.00 14.24 H new ATOM 0 HD3 LYS A 345 -0.017 -14.564 -5.975 1.00 14.24 H new ATOM 0 HE2 LYS A 345 2.411 -12.897 -5.781 1.00 3.12 H new ATOM 0 HE3 LYS A 345 2.616 -14.233 -6.897 1.00 3.12 H new ATOM 0 HZ1 LYS A 345 1.692 -12.304 -7.999 1.00 54.13 H new ATOM 0 HZ2 LYS A 345 0.569 -13.578 -8.015 1.00 54.13 H new ATOM 0 HZ3 LYS A 345 0.370 -12.284 -6.934 1.00 54.13 H new ATOM 1574 N SER A 346 -1.639 -12.843 -2.104 1.00 21.22 N ATOM 1575 CA SER A 346 -2.947 -12.915 -1.475 1.00 60.42 C ATOM 1576 C SER A 346 -3.540 -14.314 -1.660 1.00 50.43 C ATOM 1577 O SER A 346 -3.324 -14.952 -2.689 1.00 74.12 O ATOM 1578 CB SER A 346 -3.892 -11.858 -2.048 1.00 14.20 C ATOM 1579 OG SER A 346 -4.649 -12.357 -3.147 1.00 73.42 O ATOM 0 H SER A 346 -1.335 -13.705 -2.556 1.00 21.22 H new ATOM 0 HA SER A 346 -2.826 -12.716 -0.410 1.00 60.42 H new ATOM 0 HB2 SER A 346 -4.570 -11.516 -1.266 1.00 14.20 H new ATOM 0 HB3 SER A 346 -3.314 -10.992 -2.370 1.00 14.20 H new ATOM 0 HG SER A 346 -5.241 -11.652 -3.483 1.00 73.42 H new ATOM 1585 N PRO A 347 -4.295 -14.760 -0.621 1.00 10.11 N ATOM 1586 CA PRO A 347 -4.921 -16.071 -0.659 1.00 2.41 C ATOM 1587 C PRO A 347 -6.137 -16.071 -1.588 1.00 22.05 C ATOM 1588 O PRO A 347 -6.186 -16.833 -2.552 1.00 45.20 O ATOM 1589 CB PRO A 347 -5.277 -16.379 0.786 1.00 1.33 C ATOM 1590 CG PRO A 347 -5.262 -15.044 1.513 1.00 52.41 C ATOM 1591 CD PRO A 347 -4.572 -14.031 0.614 1.00 70.14 C ATOM 0 HA PRO A 347 -4.264 -16.840 -1.065 1.00 2.41 H new ATOM 0 HB2 PRO A 347 -6.258 -16.850 0.855 1.00 1.33 H new ATOM 0 HB3 PRO A 347 -4.559 -17.071 1.226 1.00 1.33 H new ATOM 0 HG2 PRO A 347 -6.278 -14.722 1.741 1.00 52.41 H new ATOM 0 HG3 PRO A 347 -4.735 -15.133 2.463 1.00 52.41 H new ATOM 0 HD2 PRO A 347 -5.210 -13.166 0.429 1.00 70.14 H new ATOM 0 HD3 PRO A 347 -3.654 -13.659 1.069 1.00 70.14 H new ATOM 1599 N LEU A 348 -7.089 -15.208 -1.264 1.00 23.21 N ATOM 1600 CA LEU A 348 -8.301 -15.099 -2.057 1.00 73.21 C ATOM 1601 C LEU A 348 -8.400 -13.688 -2.639 1.00 44.33 C ATOM 1602 O LEU A 348 -9.000 -13.488 -3.694 1.00 12.21 O ATOM 1603 CB LEU A 348 -9.521 -15.510 -1.230 1.00 13.31 C ATOM 1604 CG LEU A 348 -10.781 -15.864 -2.023 1.00 22.10 C ATOM 1605 CD1 LEU A 348 -11.425 -14.611 -2.618 1.00 41.51 C ATOM 1606 CD2 LEU A 348 -10.478 -16.916 -3.092 1.00 43.43 C ATOM 0 H LEU A 348 -7.045 -14.578 -0.463 1.00 23.21 H new ATOM 0 HA LEU A 348 -8.268 -15.790 -2.899 1.00 73.21 H new ATOM 0 HB2 LEU A 348 -9.247 -16.370 -0.618 1.00 13.31 H new ATOM 0 HB3 LEU A 348 -9.763 -14.696 -0.546 1.00 13.31 H new ATOM 0 HG LEU A 348 -11.505 -16.302 -1.336 1.00 22.10 H new ATOM 0 HD11 LEU A 348 -12.318 -14.891 -3.176 1.00 41.51 H new ATOM 0 HD12 LEU A 348 -11.699 -13.926 -1.815 1.00 41.51 H new ATOM 0 HD13 LEU A 348 -10.718 -14.121 -3.287 1.00 41.51 H new ATOM 0 HD21 LEU A 348 -11.390 -17.150 -3.641 1.00 43.43 H new ATOM 0 HD22 LEU A 348 -9.728 -16.528 -3.782 1.00 43.43 H new ATOM 0 HD23 LEU A 348 -10.099 -17.820 -2.616 1.00 43.43 H new