USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 732 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 316 LYS NZ :NH3+ -165:sc= 0.077 (180deg=0) USER MOD Set 1.2: A 381 GLN : amide:sc= 0.0743 K(o=0.15,f=-0.66) USER MOD Set 2.1: A 367 THR OG1 : rot -97:sc= 0.95 USER MOD Set 2.2: A 379 SER OG : rot 180:sc= 0.837 USER MOD Set 3.1: A 362 SER OG : rot -12:sc= 1.69 USER MOD Set 3.2: A 365 SER OG : rot 9:sc= 0.417 USER MOD Set 4.1: A 352 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 354 THR OG1 : rot 127:sc= 1.92 USER MOD Set 5.1: A 333 THR OG1 : rot 94:sc= 2.15 USER MOD Set 5.2: A 336 CYS SG : rot 19:sc= 0.0857 USER MOD Single : A 311 SER OG : rot 24:sc= 0.125 USER MOD Single : A 334 LYS NZ :NH3+ -139:sc= 1.18 (180deg=0.524) USER MOD Single : A 338 MET CE :methyl 147:sc= -0.0812 (180deg=-0.964) USER MOD Single : A 343 LYS NZ :NH3+ 155:sc= -0.131 (180deg=-0.638) USER MOD Single : A 344 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 345 LYS NZ :NH3+ 167:sc= -0.0282 (180deg=-0.259) USER MOD Single : A 349 GLN : amide:sc= 0.813 K(o=0.81,f=-4.8!) USER MOD Single : A 355 ASN : amide:sc= -0.0342 K(o=-0.034,f=-0.55) USER MOD Single : A 357 LYS NZ :NH3+ 169:sc= -0.0085 (180deg=-0.131) USER MOD Single : A 364 LYS NZ :NH3+ 167:sc=-0.00565 (180deg=-0.171) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 374 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 377 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 TYR OH : rot -15:sc= -0.0708 USER MOD Single : A 382 THR OG1 : rot 170:sc= 0.35 USER MOD Single : A 383 THR OG1 : rot -91:sc= 0.0784 USER MOD Single : A 387 GLN : amide:sc= -2.37 K(o=-2.4,f=-3.2!) USER MOD Single : A 390 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : B 377 ASN : amide:sc= 1.03 K(o=1,f=-4.3!) USER MOD Single : B 380 TYR OH : rot -150:sc= 2.26 USER MOD Single : B 381 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N SER A 311 3.110 6.798 9.240 1.00 0.71 N ATOM 27 CA SER A 311 3.460 5.531 9.856 1.00 0.41 C ATOM 28 C SER A 311 4.176 4.642 8.846 1.00 0.34 C ATOM 29 O SER A 311 3.676 4.418 7.742 1.00 0.47 O ATOM 30 CB SER A 311 2.203 4.848 10.388 1.00 0.59 C ATOM 31 OG SER A 311 1.496 5.713 11.263 1.00 1.06 O ATOM 0 HA SER A 311 4.135 5.710 10.693 1.00 0.41 H new ATOM 0 HB2 SER A 311 1.560 4.559 9.556 1.00 0.59 H new ATOM 0 HB3 SER A 311 2.475 3.933 10.914 1.00 0.59 H new ATOM 0 HG SER A 311 1.721 6.644 11.055 1.00 1.06 H new ATOM 37 N PHE A 312 5.351 4.159 9.219 1.00 0.29 N ATOM 38 CA PHE A 312 6.157 3.335 8.331 1.00 0.27 C ATOM 39 C PHE A 312 5.946 1.857 8.614 1.00 0.26 C ATOM 40 O PHE A 312 6.045 1.408 9.758 1.00 0.34 O ATOM 41 CB PHE A 312 7.640 3.678 8.477 1.00 0.31 C ATOM 42 CG PHE A 312 7.998 5.051 7.987 1.00 0.34 C ATOM 43 CD1 PHE A 312 8.305 5.264 6.654 1.00 0.33 C ATOM 44 CD2 PHE A 312 8.032 6.127 8.859 1.00 0.45 C ATOM 45 CE1 PHE A 312 8.637 6.525 6.199 1.00 0.38 C ATOM 46 CE2 PHE A 312 8.367 7.390 8.410 1.00 0.52 C ATOM 47 CZ PHE A 312 8.669 7.589 7.077 1.00 0.47 C ATOM 0 H PHE A 312 5.769 4.324 10.135 1.00 0.29 H new ATOM 0 HA PHE A 312 5.840 3.544 7.309 1.00 0.27 H new ATOM 0 HB2 PHE A 312 7.921 3.593 9.527 1.00 0.31 H new ATOM 0 HB3 PHE A 312 8.229 2.942 7.929 1.00 0.31 H new ATOM 0 HD1 PHE A 312 8.285 4.435 5.962 1.00 0.33 H new ATOM 0 HD2 PHE A 312 7.794 5.977 9.902 1.00 0.45 H new ATOM 0 HE1 PHE A 312 8.872 6.678 5.156 1.00 0.38 H new ATOM 0 HE2 PHE A 312 8.393 8.220 9.100 1.00 0.52 H new ATOM 0 HZ PHE A 312 8.930 8.575 6.723 1.00 0.47 H new ATOM 57 N PHE A 313 5.639 1.112 7.568 1.00 0.24 N ATOM 58 CA PHE A 313 5.527 -0.334 7.661 1.00 0.26 C ATOM 59 C PHE A 313 6.688 -0.987 6.925 1.00 0.26 C ATOM 60 O PHE A 313 6.965 -0.654 5.772 1.00 0.26 O ATOM 61 CB PHE A 313 4.200 -0.813 7.068 1.00 0.28 C ATOM 62 CG PHE A 313 2.989 -0.301 7.795 1.00 0.30 C ATOM 63 CD1 PHE A 313 2.458 -1.005 8.863 1.00 0.34 C ATOM 64 CD2 PHE A 313 2.379 0.882 7.409 1.00 0.32 C ATOM 65 CE1 PHE A 313 1.343 -0.541 9.533 1.00 0.40 C ATOM 66 CE2 PHE A 313 1.264 1.350 8.073 1.00 0.37 C ATOM 67 CZ PHE A 313 0.745 0.639 9.137 1.00 0.41 C ATOM 0 H PHE A 313 5.461 1.487 6.636 1.00 0.24 H new ATOM 0 HA PHE A 313 5.558 -0.618 8.713 1.00 0.26 H new ATOM 0 HB2 PHE A 313 4.145 -0.500 6.025 1.00 0.28 H new ATOM 0 HB3 PHE A 313 4.182 -1.903 7.075 1.00 0.28 H new ATOM 0 HD1 PHE A 313 2.922 -1.929 9.176 1.00 0.34 H new ATOM 0 HD2 PHE A 313 2.781 1.444 6.579 1.00 0.32 H new ATOM 0 HE1 PHE A 313 0.940 -1.100 10.365 1.00 0.40 H new ATOM 0 HE2 PHE A 313 0.797 2.272 7.761 1.00 0.37 H new ATOM 0 HZ PHE A 313 -0.127 1.005 9.658 1.00 0.41 H new ATOM 77 N LEU A 314 7.373 -1.898 7.597 1.00 0.36 N ATOM 78 CA LEU A 314 8.490 -2.602 6.988 1.00 0.38 C ATOM 79 C LEU A 314 7.976 -3.696 6.062 1.00 0.37 C ATOM 80 O LEU A 314 7.617 -4.786 6.508 1.00 0.50 O ATOM 81 CB LEU A 314 9.404 -3.203 8.059 1.00 0.51 C ATOM 82 CG LEU A 314 10.630 -3.949 7.522 1.00 0.57 C ATOM 83 CD1 LEU A 314 11.545 -3.002 6.760 1.00 0.54 C ATOM 84 CD2 LEU A 314 11.382 -4.624 8.658 1.00 0.72 C ATOM 0 H LEU A 314 7.176 -2.167 8.561 1.00 0.36 H new ATOM 0 HA LEU A 314 9.071 -1.887 6.406 1.00 0.38 H new ATOM 0 HB2 LEU A 314 9.744 -2.402 8.716 1.00 0.51 H new ATOM 0 HB3 LEU A 314 8.819 -3.890 8.670 1.00 0.51 H new ATOM 0 HG LEU A 314 10.287 -4.719 6.831 1.00 0.57 H new ATOM 0 HD11 LEU A 314 12.409 -3.552 6.387 1.00 0.54 H new ATOM 0 HD12 LEU A 314 11.002 -2.568 5.921 1.00 0.54 H new ATOM 0 HD13 LEU A 314 11.881 -2.207 7.425 1.00 0.54 H new ATOM 0 HD21 LEU A 314 12.250 -5.149 8.259 1.00 0.72 H new ATOM 0 HD22 LEU A 314 11.711 -3.871 9.374 1.00 0.72 H new ATOM 0 HD23 LEU A 314 10.725 -5.336 9.157 1.00 0.72 H new ATOM 96 N VAL A 315 7.916 -3.389 4.778 1.00 0.26 N ATOM 97 CA VAL A 315 7.428 -4.339 3.796 1.00 0.26 C ATOM 98 C VAL A 315 8.578 -4.880 2.958 1.00 0.24 C ATOM 99 O VAL A 315 9.607 -4.227 2.808 1.00 0.27 O ATOM 100 CB VAL A 315 6.361 -3.712 2.871 1.00 0.26 C ATOM 101 CG1 VAL A 315 5.152 -3.268 3.678 1.00 0.30 C ATOM 102 CG2 VAL A 315 6.933 -2.543 2.080 1.00 0.23 C ATOM 0 H VAL A 315 8.200 -2.489 4.392 1.00 0.26 H new ATOM 0 HA VAL A 315 6.962 -5.158 4.344 1.00 0.26 H new ATOM 0 HB VAL A 315 6.045 -4.475 2.159 1.00 0.26 H new ATOM 0 HG11 VAL A 315 4.410 -2.829 3.011 1.00 0.30 H new ATOM 0 HG12 VAL A 315 4.718 -4.129 4.186 1.00 0.30 H new ATOM 0 HG13 VAL A 315 5.459 -2.528 4.416 1.00 0.30 H new ATOM 0 HG21 VAL A 315 6.158 -2.124 1.439 1.00 0.23 H new ATOM 0 HG22 VAL A 315 7.288 -1.777 2.769 1.00 0.23 H new ATOM 0 HG23 VAL A 315 7.763 -2.891 1.465 1.00 0.23 H new ATOM 112 N LYS A 316 8.409 -6.081 2.440 1.00 0.25 N ATOM 113 CA LYS A 316 9.424 -6.698 1.604 1.00 0.28 C ATOM 114 C LYS A 316 8.910 -6.869 0.179 1.00 0.28 C ATOM 115 O LYS A 316 8.030 -7.694 -0.083 1.00 0.28 O ATOM 116 CB LYS A 316 9.844 -8.044 2.199 1.00 0.34 C ATOM 117 CG LYS A 316 10.502 -7.914 3.567 1.00 0.44 C ATOM 118 CD LYS A 316 10.687 -9.264 4.245 1.00 0.55 C ATOM 119 CE LYS A 316 11.576 -10.191 3.434 1.00 0.67 C ATOM 120 NZ LYS A 316 11.793 -11.489 4.128 1.00 1.44 N ATOM 0 H LYS A 316 7.576 -6.652 2.583 1.00 0.25 H new ATOM 0 HA LYS A 316 10.298 -6.047 1.570 1.00 0.28 H new ATOM 0 HB2 LYS A 316 8.967 -8.686 2.284 1.00 0.34 H new ATOM 0 HB3 LYS A 316 10.535 -8.537 1.515 1.00 0.34 H new ATOM 0 HG2 LYS A 316 11.472 -7.428 3.458 1.00 0.44 H new ATOM 0 HG3 LYS A 316 9.893 -7.271 4.202 1.00 0.44 H new ATOM 0 HD2 LYS A 316 11.123 -9.117 5.233 1.00 0.55 H new ATOM 0 HD3 LYS A 316 9.714 -9.732 4.392 1.00 0.55 H new ATOM 0 HE2 LYS A 316 11.122 -10.370 2.459 1.00 0.67 H new ATOM 0 HE3 LYS A 316 12.537 -9.709 3.254 1.00 0.67 H new ATOM 0 HZ1 LYS A 316 12.590 -11.990 3.686 1.00 1.44 H new ATOM 0 HZ2 LYS A 316 12.007 -11.315 5.131 1.00 1.44 H new ATOM 0 HZ3 LYS A 316 10.934 -12.071 4.053 1.00 1.44 H new ATOM 134 N GLU A 317 9.448 -6.070 -0.729 1.00 0.32 N ATOM 135 CA GLU A 317 9.051 -6.112 -2.128 1.00 0.37 C ATOM 136 C GLU A 317 9.667 -7.320 -2.823 1.00 0.45 C ATOM 137 O GLU A 317 10.890 -7.431 -2.929 1.00 0.48 O ATOM 138 CB GLU A 317 9.491 -4.837 -2.852 1.00 0.39 C ATOM 139 CG GLU A 317 8.834 -3.563 -2.342 1.00 0.41 C ATOM 140 CD GLU A 317 9.311 -2.329 -3.086 1.00 0.49 C ATOM 141 OE1 GLU A 317 10.098 -2.466 -4.047 1.00 0.70 O ATOM 142 OE2 GLU A 317 8.890 -1.210 -2.730 1.00 0.61 O ATOM 0 H GLU A 317 10.168 -5.378 -0.519 1.00 0.32 H new ATOM 0 HA GLU A 317 7.964 -6.190 -2.165 1.00 0.37 H new ATOM 0 HB2 GLU A 317 10.572 -4.736 -2.758 1.00 0.39 H new ATOM 0 HB3 GLU A 317 9.272 -4.944 -3.914 1.00 0.39 H new ATOM 0 HG2 GLU A 317 7.752 -3.650 -2.443 1.00 0.41 H new ATOM 0 HG3 GLU A 317 9.047 -3.448 -1.279 1.00 0.41 H new ATOM 275 N LEU A 325 14.086 -10.188 -1.636 1.00 0.61 N ATOM 276 CA LEU A 325 12.972 -9.312 -1.316 1.00 0.49 C ATOM 277 C LEU A 325 13.508 -8.009 -0.741 1.00 0.45 C ATOM 278 O LEU A 325 14.262 -8.015 0.233 1.00 0.55 O ATOM 279 CB LEU A 325 12.007 -9.975 -0.323 1.00 0.47 C ATOM 280 CG LEU A 325 11.250 -11.204 -0.847 1.00 0.53 C ATOM 281 CD1 LEU A 325 12.145 -12.434 -0.876 1.00 0.69 C ATOM 282 CD2 LEU A 325 10.010 -11.467 -0.006 1.00 0.56 C ATOM 0 HA LEU A 325 12.415 -9.109 -2.230 1.00 0.49 H new ATOM 0 HB2 LEU A 325 12.571 -10.269 0.562 1.00 0.47 H new ATOM 0 HB3 LEU A 325 11.277 -9.231 -0.003 1.00 0.47 H new ATOM 0 HG LEU A 325 10.939 -10.992 -1.870 1.00 0.53 H new ATOM 0 HD11 LEU A 325 11.579 -13.287 -1.252 1.00 0.69 H new ATOM 0 HD12 LEU A 325 12.998 -12.248 -1.529 1.00 0.69 H new ATOM 0 HD13 LEU A 325 12.500 -12.650 0.132 1.00 0.69 H new ATOM 0 HD21 LEU A 325 9.487 -12.342 -0.393 1.00 0.56 H new ATOM 0 HD22 LEU A 325 10.303 -11.647 1.028 1.00 0.56 H new ATOM 0 HD23 LEU A 325 9.350 -10.601 -0.050 1.00 0.56 H new ATOM 294 N VAL A 326 13.128 -6.901 -1.349 1.00 0.40 N ATOM 295 CA VAL A 326 13.669 -5.604 -0.979 1.00 0.38 C ATOM 296 C VAL A 326 12.890 -4.995 0.182 1.00 0.32 C ATOM 297 O VAL A 326 11.685 -4.764 0.076 1.00 0.29 O ATOM 298 CB VAL A 326 13.641 -4.625 -2.170 1.00 0.42 C ATOM 299 CG1 VAL A 326 14.402 -3.351 -1.837 1.00 0.45 C ATOM 300 CG2 VAL A 326 14.207 -5.283 -3.418 1.00 0.51 C ATOM 0 H VAL A 326 12.444 -6.872 -2.105 1.00 0.40 H new ATOM 0 HA VAL A 326 14.703 -5.767 -0.674 1.00 0.38 H new ATOM 0 HB VAL A 326 12.603 -4.357 -2.368 1.00 0.42 H new ATOM 0 HG11 VAL A 326 14.370 -2.674 -2.691 1.00 0.45 H new ATOM 0 HG12 VAL A 326 13.944 -2.868 -0.974 1.00 0.45 H new ATOM 0 HG13 VAL A 326 15.439 -3.596 -1.607 1.00 0.45 H new ATOM 0 HG21 VAL A 326 14.178 -4.576 -4.247 1.00 0.51 H new ATOM 0 HG22 VAL A 326 15.238 -5.585 -3.234 1.00 0.51 H new ATOM 0 HG23 VAL A 326 13.611 -6.160 -3.669 1.00 0.51 H new ATOM 310 N PRO A 327 13.566 -4.744 1.312 1.00 0.33 N ATOM 311 CA PRO A 327 12.957 -4.081 2.463 1.00 0.30 C ATOM 312 C PRO A 327 12.632 -2.625 2.153 1.00 0.25 C ATOM 313 O PRO A 327 13.508 -1.845 1.771 1.00 0.32 O ATOM 314 CB PRO A 327 14.028 -4.176 3.558 1.00 0.39 C ATOM 315 CG PRO A 327 15.013 -5.180 3.059 1.00 0.46 C ATOM 316 CD PRO A 327 14.968 -5.088 1.564 1.00 0.42 C ATOM 0 HA PRO A 327 12.013 -4.542 2.754 1.00 0.30 H new ATOM 0 HB2 PRO A 327 14.503 -3.210 3.728 1.00 0.39 H new ATOM 0 HB3 PRO A 327 13.593 -4.489 4.507 1.00 0.39 H new ATOM 0 HG2 PRO A 327 16.014 -4.966 3.434 1.00 0.46 H new ATOM 0 HG3 PRO A 327 14.754 -6.183 3.397 1.00 0.46 H new ATOM 0 HD2 PRO A 327 15.648 -4.326 1.183 1.00 0.42 H new ATOM 0 HD3 PRO A 327 15.247 -6.029 1.090 1.00 0.42 H new ATOM 324 N ARG A 328 11.371 -2.270 2.298 1.00 0.21 N ATOM 325 CA ARG A 328 10.923 -0.926 2.003 1.00 0.23 C ATOM 326 C ARG A 328 10.164 -0.354 3.192 1.00 0.20 C ATOM 327 O ARG A 328 9.416 -1.066 3.863 1.00 0.23 O ATOM 328 CB ARG A 328 10.016 -0.930 0.771 1.00 0.32 C ATOM 329 CG ARG A 328 9.870 0.433 0.120 1.00 0.50 C ATOM 330 CD ARG A 328 11.098 0.779 -0.705 1.00 0.56 C ATOM 331 NE ARG A 328 11.222 -0.094 -1.870 1.00 0.47 N ATOM 332 CZ ARG A 328 12.366 -0.359 -2.500 1.00 0.58 C ATOM 333 NH1 ARG A 328 13.516 0.120 -2.043 1.00 0.78 N ATOM 334 NH2 ARG A 328 12.360 -1.133 -3.575 1.00 0.65 N ATOM 0 H ARG A 328 10.635 -2.899 2.620 1.00 0.21 H new ATOM 0 HA ARG A 328 11.796 -0.305 1.802 1.00 0.23 H new ATOM 0 HB2 ARG A 328 10.415 -1.632 0.039 1.00 0.32 H new ATOM 0 HB3 ARG A 328 9.029 -1.294 1.058 1.00 0.32 H new ATOM 0 HG2 ARG A 328 8.986 0.442 -0.517 1.00 0.50 H new ATOM 0 HG3 ARG A 328 9.718 1.192 0.888 1.00 0.50 H new ATOM 0 HD2 ARG A 328 11.038 1.817 -1.031 1.00 0.56 H new ATOM 0 HD3 ARG A 328 11.991 0.691 -0.086 1.00 0.56 H new ATOM 0 HE ARG A 328 10.372 -0.532 -2.226 1.00 0.47 H new ATOM 0 HH11 ARG A 328 13.530 0.697 -1.202 1.00 0.78 H new ATOM 0 HH12 ARG A 328 14.386 -0.089 -2.533 1.00 0.78 H new ATOM 0 HH21 ARG A 328 11.482 -1.523 -3.917 1.00 0.65 H new ATOM 0 HH22 ARG A 328 13.233 -1.338 -4.060 1.00 0.65 H new ATOM 348 N LEU A 329 10.364 0.926 3.453 1.00 0.18 N ATOM 349 CA LEU A 329 9.614 1.616 4.482 1.00 0.20 C ATOM 350 C LEU A 329 8.358 2.216 3.870 1.00 0.19 C ATOM 351 O LEU A 329 8.395 3.296 3.277 1.00 0.24 O ATOM 352 CB LEU A 329 10.465 2.710 5.133 1.00 0.25 C ATOM 353 CG LEU A 329 11.670 2.212 5.933 1.00 0.31 C ATOM 354 CD1 LEU A 329 12.491 3.385 6.443 1.00 0.37 C ATOM 355 CD2 LEU A 329 11.214 1.338 7.092 1.00 0.36 C ATOM 0 H LEU A 329 11.043 1.509 2.963 1.00 0.18 H new ATOM 0 HA LEU A 329 9.335 0.903 5.258 1.00 0.20 H new ATOM 0 HB2 LEU A 329 10.821 3.383 4.353 1.00 0.25 H new ATOM 0 HB3 LEU A 329 9.828 3.297 5.795 1.00 0.25 H new ATOM 0 HG LEU A 329 12.298 1.612 5.274 1.00 0.31 H new ATOM 0 HD11 LEU A 329 13.344 3.013 7.010 1.00 0.37 H new ATOM 0 HD12 LEU A 329 12.846 3.975 5.598 1.00 0.37 H new ATOM 0 HD13 LEU A 329 11.872 4.010 7.087 1.00 0.37 H new ATOM 0 HD21 LEU A 329 12.084 0.992 7.651 1.00 0.36 H new ATOM 0 HD22 LEU A 329 10.566 1.916 7.751 1.00 0.36 H new ATOM 0 HD23 LEU A 329 10.665 0.479 6.706 1.00 0.36 H new ATOM 367 N LEU A 330 7.259 1.490 3.974 1.00 0.17 N ATOM 368 CA LEU A 330 6.003 1.937 3.402 1.00 0.17 C ATOM 369 C LEU A 330 5.377 2.992 4.303 1.00 0.18 C ATOM 370 O LEU A 330 4.822 2.675 5.355 1.00 0.24 O ATOM 371 CB LEU A 330 5.049 0.756 3.213 1.00 0.22 C ATOM 372 CG LEU A 330 3.819 1.045 2.350 1.00 0.26 C ATOM 373 CD1 LEU A 330 4.241 1.427 0.939 1.00 0.57 C ATOM 374 CD2 LEU A 330 2.893 -0.160 2.322 1.00 0.49 C ATOM 0 H LEU A 330 7.212 0.589 4.449 1.00 0.17 H new ATOM 0 HA LEU A 330 6.195 2.376 2.423 1.00 0.17 H new ATOM 0 HB2 LEU A 330 5.602 -0.069 2.765 1.00 0.22 H new ATOM 0 HB3 LEU A 330 4.714 0.419 4.194 1.00 0.22 H new ATOM 0 HG LEU A 330 3.277 1.883 2.788 1.00 0.26 H new ATOM 0 HD11 LEU A 330 3.355 1.630 0.337 1.00 0.57 H new ATOM 0 HD12 LEU A 330 4.867 2.319 0.975 1.00 0.57 H new ATOM 0 HD13 LEU A 330 4.803 0.607 0.493 1.00 0.57 H new ATOM 0 HD21 LEU A 330 2.024 0.064 1.704 1.00 0.49 H new ATOM 0 HD22 LEU A 330 3.423 -1.017 1.906 1.00 0.49 H new ATOM 0 HD23 LEU A 330 2.567 -0.392 3.336 1.00 0.49 H new ATOM 386 N GLY A 331 5.498 4.245 3.897 1.00 0.18 N ATOM 387 CA GLY A 331 4.995 5.336 4.698 1.00 0.22 C ATOM 388 C GLY A 331 3.588 5.723 4.314 1.00 0.22 C ATOM 389 O GLY A 331 3.343 6.170 3.192 1.00 0.29 O ATOM 0 H GLY A 331 5.939 4.526 3.021 1.00 0.18 H new ATOM 0 HA2 GLY A 331 5.018 5.053 5.750 1.00 0.22 H new ATOM 0 HA3 GLY A 331 5.651 6.199 4.586 1.00 0.22 H new ATOM 393 N ILE A 332 2.661 5.539 5.239 1.00 0.22 N ATOM 394 CA ILE A 332 1.272 5.891 5.005 1.00 0.22 C ATOM 395 C ILE A 332 0.953 7.227 5.666 1.00 0.24 C ATOM 396 O ILE A 332 1.069 7.365 6.888 1.00 0.36 O ATOM 397 CB ILE A 332 0.313 4.816 5.565 1.00 0.26 C ATOM 398 CG1 ILE A 332 0.718 3.417 5.086 1.00 0.27 C ATOM 399 CG2 ILE A 332 -1.125 5.121 5.163 1.00 0.28 C ATOM 400 CD1 ILE A 332 0.664 3.236 3.584 1.00 0.27 C ATOM 0 H ILE A 332 2.847 5.146 6.162 1.00 0.22 H new ATOM 0 HA ILE A 332 1.129 5.960 3.927 1.00 0.22 H new ATOM 0 HB ILE A 332 0.381 4.835 6.653 1.00 0.26 H new ATOM 0 HG12 ILE A 332 1.731 3.206 5.430 1.00 0.27 H new ATOM 0 HG13 ILE A 332 0.063 2.681 5.553 1.00 0.27 H new ATOM 0 HG21 ILE A 332 -1.786 4.354 5.566 1.00 0.28 H new ATOM 0 HG22 ILE A 332 -1.415 6.094 5.559 1.00 0.28 H new ATOM 0 HG23 ILE A 332 -1.204 5.134 4.076 1.00 0.28 H new ATOM 0 HD11 ILE A 332 0.965 2.220 3.329 1.00 0.27 H new ATOM 0 HD12 ILE A 332 -0.353 3.412 3.233 1.00 0.27 H new ATOM 0 HD13 ILE A 332 1.341 3.945 3.107 1.00 0.27 H new ATOM 412 N THR A 333 0.585 8.213 4.861 1.00 0.22 N ATOM 413 CA THR A 333 0.161 9.500 5.381 1.00 0.23 C ATOM 414 C THR A 333 -1.341 9.673 5.184 1.00 0.23 C ATOM 415 O THR A 333 -2.029 8.731 4.790 1.00 0.28 O ATOM 416 CB THR A 333 0.918 10.665 4.712 1.00 0.26 C ATOM 417 OG1 THR A 333 0.814 10.574 3.289 1.00 0.34 O ATOM 418 CG2 THR A 333 2.382 10.671 5.115 1.00 0.38 C ATOM 0 H THR A 333 0.572 8.144 3.843 1.00 0.22 H new ATOM 0 HA THR A 333 0.394 9.521 6.446 1.00 0.23 H new ATOM 0 HB THR A 333 0.461 11.595 5.050 1.00 0.26 H new ATOM 0 HG1 THR A 333 0.059 11.118 2.981 1.00 0.34 H new ATOM 0 HG21 THR A 333 2.890 11.503 4.628 1.00 0.38 H new ATOM 0 HG22 THR A 333 2.461 10.780 6.197 1.00 0.38 H new ATOM 0 HG23 THR A 333 2.847 9.734 4.810 1.00 0.38 H new ATOM 426 N LYS A 334 -1.845 10.873 5.438 1.00 0.26 N ATOM 427 CA LYS A 334 -3.282 11.113 5.416 1.00 0.28 C ATOM 428 C LYS A 334 -3.839 11.130 3.998 1.00 0.26 C ATOM 429 O LYS A 334 -5.038 10.935 3.797 1.00 0.43 O ATOM 430 CB LYS A 334 -3.617 12.442 6.099 1.00 0.38 C ATOM 431 CG LYS A 334 -3.069 13.667 5.377 1.00 0.47 C ATOM 432 CD LYS A 334 -3.555 14.948 6.034 1.00 0.63 C ATOM 433 CE LYS A 334 -2.986 16.184 5.359 1.00 0.89 C ATOM 434 NZ LYS A 334 -1.500 16.175 5.349 1.00 1.61 N ATOM 0 H LYS A 334 -1.282 11.694 5.661 1.00 0.26 H new ATOM 0 HA LYS A 334 -3.746 10.289 5.958 1.00 0.28 H new ATOM 0 HB2 LYS A 334 -4.700 12.535 6.179 1.00 0.38 H new ATOM 0 HB3 LYS A 334 -3.223 12.426 7.115 1.00 0.38 H new ATOM 0 HG2 LYS A 334 -1.979 13.641 5.384 1.00 0.47 H new ATOM 0 HG3 LYS A 334 -3.381 13.648 4.333 1.00 0.47 H new ATOM 0 HD2 LYS A 334 -4.644 14.984 5.998 1.00 0.63 H new ATOM 0 HD3 LYS A 334 -3.271 14.946 7.086 1.00 0.63 H new ATOM 0 HE2 LYS A 334 -3.356 16.241 4.335 1.00 0.89 H new ATOM 0 HE3 LYS A 334 -3.340 17.076 5.876 1.00 0.89 H new ATOM 0 HZ1 LYS A 334 -1.146 17.130 5.560 1.00 1.61 H new ATOM 0 HZ2 LYS A 334 -1.152 15.510 6.069 1.00 1.61 H new ATOM 0 HZ3 LYS A 334 -1.161 15.879 4.411 1.00 1.61 H new ATOM 448 N GLU A 335 -2.980 11.372 3.021 1.00 0.27 N ATOM 449 CA GLU A 335 -3.445 11.593 1.665 1.00 0.33 C ATOM 450 C GLU A 335 -2.714 10.730 0.636 1.00 0.27 C ATOM 451 O GLU A 335 -3.165 10.617 -0.508 1.00 0.34 O ATOM 452 CB GLU A 335 -3.296 13.073 1.301 1.00 0.46 C ATOM 453 CG GLU A 335 -1.852 13.562 1.210 1.00 0.56 C ATOM 454 CD GLU A 335 -1.166 13.731 2.548 1.00 0.85 C ATOM 455 OE1 GLU A 335 -0.673 12.725 3.095 1.00 1.79 O ATOM 456 OE2 GLU A 335 -1.138 14.861 3.077 1.00 1.04 O ATOM 0 H GLU A 335 -1.968 11.420 3.141 1.00 0.27 H new ATOM 0 HA GLU A 335 -4.495 11.300 1.637 1.00 0.33 H new ATOM 0 HB2 GLU A 335 -3.787 13.250 0.344 1.00 0.46 H new ATOM 0 HB3 GLU A 335 -3.822 13.671 2.044 1.00 0.46 H new ATOM 0 HG2 GLU A 335 -1.279 12.857 0.608 1.00 0.56 H new ATOM 0 HG3 GLU A 335 -1.836 14.516 0.684 1.00 0.56 H new ATOM 463 N CYS A 336 -1.603 10.113 1.017 1.00 0.23 N ATOM 464 CA CYS A 336 -0.808 9.374 0.049 1.00 0.24 C ATOM 465 C CYS A 336 -0.011 8.234 0.682 1.00 0.21 C ATOM 466 O CYS A 336 0.122 8.143 1.904 1.00 0.28 O ATOM 467 CB CYS A 336 0.127 10.332 -0.694 1.00 0.32 C ATOM 468 SG CYS A 336 1.097 11.413 0.383 1.00 1.10 S ATOM 0 H CYS A 336 -1.238 10.109 1.970 1.00 0.23 H new ATOM 0 HA CYS A 336 -1.502 8.915 -0.655 1.00 0.24 H new ATOM 0 HB2 CYS A 336 0.809 9.748 -1.312 1.00 0.32 H new ATOM 0 HB3 CYS A 336 -0.466 10.949 -1.369 1.00 0.32 H new ATOM 0 HG CYS A 336 1.130 10.914 1.583 1.00 1.10 H new ATOM 474 N VAL A 337 0.490 7.356 -0.178 1.00 0.22 N ATOM 475 CA VAL A 337 1.333 6.241 0.226 1.00 0.21 C ATOM 476 C VAL A 337 2.702 6.373 -0.435 1.00 0.19 C ATOM 477 O VAL A 337 2.802 6.383 -1.662 1.00 0.22 O ATOM 478 CB VAL A 337 0.701 4.890 -0.181 1.00 0.26 C ATOM 479 CG1 VAL A 337 1.621 3.730 0.161 1.00 0.27 C ATOM 480 CG2 VAL A 337 -0.658 4.709 0.479 1.00 0.32 C ATOM 0 H VAL A 337 0.321 7.399 -1.183 1.00 0.22 H new ATOM 0 HA VAL A 337 1.434 6.264 1.311 1.00 0.21 H new ATOM 0 HB VAL A 337 0.559 4.900 -1.262 1.00 0.26 H new ATOM 0 HG11 VAL A 337 1.151 2.793 -0.136 1.00 0.27 H new ATOM 0 HG12 VAL A 337 2.566 3.846 -0.370 1.00 0.27 H new ATOM 0 HG13 VAL A 337 1.807 3.718 1.235 1.00 0.27 H new ATOM 0 HG21 VAL A 337 -1.084 3.752 0.178 1.00 0.32 H new ATOM 0 HG22 VAL A 337 -0.542 4.730 1.563 1.00 0.32 H new ATOM 0 HG23 VAL A 337 -1.323 5.515 0.170 1.00 0.32 H new ATOM 490 N MET A 338 3.749 6.481 0.368 1.00 0.17 N ATOM 491 CA MET A 338 5.087 6.698 -0.167 1.00 0.17 C ATOM 492 C MET A 338 6.000 5.506 0.107 1.00 0.16 C ATOM 493 O MET A 338 5.999 4.943 1.204 1.00 0.20 O ATOM 494 CB MET A 338 5.699 7.977 0.419 1.00 0.22 C ATOM 495 CG MET A 338 5.896 7.935 1.927 1.00 0.24 C ATOM 496 SD MET A 338 6.610 9.455 2.584 1.00 1.08 S ATOM 497 CE MET A 338 5.307 10.628 2.216 1.00 0.62 C ATOM 0 H MET A 338 3.701 6.423 1.385 1.00 0.17 H new ATOM 0 HA MET A 338 4.995 6.810 -1.247 1.00 0.17 H new ATOM 0 HB2 MET A 338 6.662 8.158 -0.058 1.00 0.22 H new ATOM 0 HB3 MET A 338 5.057 8.822 0.170 1.00 0.22 H new ATOM 0 HG2 MET A 338 4.935 7.753 2.409 1.00 0.24 H new ATOM 0 HG3 MET A 338 6.544 7.096 2.180 1.00 0.24 H new ATOM 0 HE1 MET A 338 5.276 11.393 2.992 1.00 0.62 H new ATOM 0 HE2 MET A 338 5.502 11.097 1.252 1.00 0.62 H new ATOM 0 HE3 MET A 338 4.349 10.109 2.180 1.00 0.62 H new ATOM 507 N ARG A 339 6.768 5.116 -0.901 1.00 0.16 N ATOM 508 CA ARG A 339 7.765 4.067 -0.743 1.00 0.17 C ATOM 509 C ARG A 339 9.109 4.677 -0.375 1.00 0.16 C ATOM 510 O ARG A 339 9.839 5.163 -1.241 1.00 0.18 O ATOM 511 CB ARG A 339 7.918 3.231 -2.021 1.00 0.22 C ATOM 512 CG ARG A 339 6.702 2.389 -2.361 1.00 0.27 C ATOM 513 CD ARG A 339 7.042 1.295 -3.366 1.00 0.31 C ATOM 514 NE ARG A 339 7.396 1.818 -4.690 1.00 0.73 N ATOM 515 CZ ARG A 339 8.290 1.236 -5.499 1.00 1.03 C ATOM 516 NH1 ARG A 339 8.953 0.161 -5.098 1.00 1.15 N ATOM 517 NH2 ARG A 339 8.513 1.724 -6.716 1.00 1.55 N ATOM 0 H ARG A 339 6.719 5.512 -1.840 1.00 0.16 H new ATOM 0 HA ARG A 339 7.424 3.408 0.056 1.00 0.17 H new ATOM 0 HB2 ARG A 339 8.129 3.899 -2.856 1.00 0.22 H new ATOM 0 HB3 ARG A 339 8.782 2.575 -1.912 1.00 0.22 H new ATOM 0 HG2 ARG A 339 6.305 1.938 -1.452 1.00 0.27 H new ATOM 0 HG3 ARG A 339 5.918 3.028 -2.768 1.00 0.27 H new ATOM 0 HD2 ARG A 339 7.873 0.703 -2.982 1.00 0.31 H new ATOM 0 HD3 ARG A 339 6.190 0.622 -3.464 1.00 0.31 H new ATOM 0 HE ARG A 339 6.937 2.670 -5.011 1.00 0.73 H new ATOM 0 HH11 ARG A 339 8.783 -0.226 -4.170 1.00 1.15 H new ATOM 0 HH12 ARG A 339 9.633 -0.279 -5.718 1.00 1.15 H new ATOM 0 HH21 ARG A 339 8.002 2.546 -7.037 1.00 1.55 H new ATOM 0 HH22 ARG A 339 9.195 1.276 -7.328 1.00 1.55 H new ATOM 531 N VAL A 340 9.419 4.674 0.910 1.00 0.18 N ATOM 532 CA VAL A 340 10.697 5.172 1.385 1.00 0.22 C ATOM 533 C VAL A 340 11.699 4.028 1.449 1.00 0.24 C ATOM 534 O VAL A 340 11.382 2.946 1.943 1.00 0.24 O ATOM 535 CB VAL A 340 10.561 5.826 2.778 1.00 0.25 C ATOM 536 CG1 VAL A 340 11.904 6.335 3.279 1.00 0.31 C ATOM 537 CG2 VAL A 340 9.546 6.958 2.739 1.00 0.28 C ATOM 0 H VAL A 340 8.800 4.331 1.645 1.00 0.18 H new ATOM 0 HA VAL A 340 11.048 5.932 0.687 1.00 0.22 H new ATOM 0 HB VAL A 340 10.208 5.064 3.473 1.00 0.25 H new ATOM 0 HG11 VAL A 340 11.777 6.790 4.261 1.00 0.31 H new ATOM 0 HG12 VAL A 340 12.604 5.503 3.352 1.00 0.31 H new ATOM 0 HG13 VAL A 340 12.294 7.077 2.583 1.00 0.31 H new ATOM 0 HG21 VAL A 340 9.463 7.407 3.729 1.00 0.28 H new ATOM 0 HG22 VAL A 340 9.871 7.714 2.024 1.00 0.28 H new ATOM 0 HG23 VAL A 340 8.575 6.566 2.436 1.00 0.28 H new ATOM 547 N ASP A 341 12.892 4.245 0.923 1.00 0.30 N ATOM 548 CA ASP A 341 13.905 3.203 0.928 1.00 0.36 C ATOM 549 C ASP A 341 14.395 2.944 2.346 1.00 0.38 C ATOM 550 O ASP A 341 14.683 3.879 3.093 1.00 0.41 O ATOM 551 CB ASP A 341 15.077 3.565 0.022 1.00 0.46 C ATOM 552 CG ASP A 341 16.047 2.412 -0.125 1.00 0.55 C ATOM 553 OD1 ASP A 341 15.685 1.394 -0.749 1.00 0.67 O ATOM 554 OD2 ASP A 341 17.184 2.528 0.370 1.00 0.77 O ATOM 0 H ASP A 341 13.181 5.123 0.492 1.00 0.30 H new ATOM 0 HA ASP A 341 13.448 2.292 0.540 1.00 0.36 H new ATOM 0 HB2 ASP A 341 14.702 3.853 -0.960 1.00 0.46 H new ATOM 0 HB3 ASP A 341 15.599 4.430 0.430 1.00 0.46 H new ATOM 559 N GLU A 342 14.490 1.668 2.700 1.00 0.42 N ATOM 560 CA GLU A 342 14.842 1.250 4.055 1.00 0.47 C ATOM 561 C GLU A 342 16.245 1.725 4.431 1.00 0.60 C ATOM 562 O GLU A 342 16.522 2.018 5.595 1.00 0.72 O ATOM 563 CB GLU A 342 14.732 -0.282 4.145 1.00 0.49 C ATOM 564 CG GLU A 342 14.794 -0.859 5.553 1.00 0.60 C ATOM 565 CD GLU A 342 16.201 -1.204 6.000 1.00 0.95 C ATOM 566 OE1 GLU A 342 16.922 -1.877 5.235 1.00 1.51 O ATOM 567 OE2 GLU A 342 16.601 -0.791 7.110 1.00 1.36 O ATOM 0 H GLU A 342 14.326 0.893 2.058 1.00 0.42 H new ATOM 0 HA GLU A 342 14.151 1.705 4.765 1.00 0.47 H new ATOM 0 HB2 GLU A 342 13.793 -0.590 3.685 1.00 0.49 H new ATOM 0 HB3 GLU A 342 15.535 -0.722 3.554 1.00 0.49 H new ATOM 0 HG2 GLU A 342 14.365 -0.141 6.251 1.00 0.60 H new ATOM 0 HG3 GLU A 342 14.176 -1.756 5.598 1.00 0.60 H new ATOM 574 N LYS A 343 17.116 1.826 3.439 1.00 0.69 N ATOM 575 CA LYS A 343 18.502 2.196 3.676 1.00 0.87 C ATOM 576 C LYS A 343 18.748 3.667 3.342 1.00 0.79 C ATOM 577 O LYS A 343 19.240 4.431 4.172 1.00 0.86 O ATOM 578 CB LYS A 343 19.420 1.305 2.837 1.00 1.08 C ATOM 579 CG LYS A 343 20.906 1.605 3.014 1.00 1.36 C ATOM 580 CD LYS A 343 21.785 0.686 2.172 1.00 1.63 C ATOM 581 CE LYS A 343 21.978 1.199 0.747 1.00 2.26 C ATOM 582 NZ LYS A 343 22.644 2.529 0.719 1.00 3.06 N ATOM 0 H LYS A 343 16.886 1.656 2.460 1.00 0.69 H new ATOM 0 HA LYS A 343 18.721 2.053 4.734 1.00 0.87 H new ATOM 0 HB2 LYS A 343 19.236 0.263 3.099 1.00 1.08 H new ATOM 0 HB3 LYS A 343 19.159 1.420 1.785 1.00 1.08 H new ATOM 0 HG2 LYS A 343 21.100 2.642 2.740 1.00 1.36 H new ATOM 0 HG3 LYS A 343 21.174 1.498 4.065 1.00 1.36 H new ATOM 0 HD2 LYS A 343 22.758 0.582 2.651 1.00 1.63 H new ATOM 0 HD3 LYS A 343 21.338 -0.308 2.139 1.00 1.63 H new ATOM 0 HE2 LYS A 343 22.574 0.483 0.182 1.00 2.26 H new ATOM 0 HE3 LYS A 343 21.009 1.268 0.252 1.00 2.26 H new ATOM 0 HZ1 LYS A 343 23.130 2.655 -0.192 1.00 3.06 H new ATOM 0 HZ2 LYS A 343 21.931 3.277 0.837 1.00 3.06 H new ATOM 0 HZ3 LYS A 343 23.337 2.586 1.492 1.00 3.06 H new ATOM 596 N THR A 344 18.382 4.056 2.128 1.00 0.73 N ATOM 597 CA THR A 344 18.692 5.384 1.610 1.00 0.72 C ATOM 598 C THR A 344 17.760 6.450 2.191 1.00 0.63 C ATOM 599 O THR A 344 18.090 7.636 2.194 1.00 0.67 O ATOM 600 CB THR A 344 18.595 5.393 0.072 1.00 0.80 C ATOM 601 OG1 THR A 344 19.106 4.157 -0.449 1.00 0.92 O ATOM 602 CG2 THR A 344 19.382 6.554 -0.518 1.00 0.92 C ATOM 0 H THR A 344 17.865 3.465 1.477 1.00 0.73 H new ATOM 0 HA THR A 344 19.711 5.624 1.913 1.00 0.72 H new ATOM 0 HB THR A 344 17.547 5.509 -0.205 1.00 0.80 H new ATOM 0 HG1 THR A 344 18.407 3.471 -0.409 1.00 0.92 H new ATOM 0 HG21 THR A 344 19.297 6.537 -1.605 1.00 0.92 H new ATOM 0 HG22 THR A 344 18.983 7.494 -0.138 1.00 0.92 H new ATOM 0 HG23 THR A 344 20.431 6.464 -0.235 1.00 0.92 H new ATOM 610 N LYS A 345 16.593 6.013 2.675 1.00 0.55 N ATOM 611 CA LYS A 345 15.609 6.902 3.308 1.00 0.52 C ATOM 612 C LYS A 345 15.001 7.886 2.310 1.00 0.53 C ATOM 613 O LYS A 345 14.406 8.889 2.702 1.00 0.61 O ATOM 614 CB LYS A 345 16.240 7.674 4.472 1.00 0.61 C ATOM 615 CG LYS A 345 16.812 6.783 5.559 1.00 0.63 C ATOM 616 CD LYS A 345 15.736 5.946 6.226 1.00 0.62 C ATOM 617 CE LYS A 345 16.327 5.030 7.282 1.00 0.71 C ATOM 618 NZ LYS A 345 17.033 5.791 8.347 1.00 1.50 N ATOM 0 H LYS A 345 16.303 5.036 2.640 1.00 0.55 H new ATOM 0 HA LYS A 345 14.809 6.267 3.688 1.00 0.52 H new ATOM 0 HB2 LYS A 345 17.033 8.313 4.084 1.00 0.61 H new ATOM 0 HB3 LYS A 345 15.488 8.330 4.911 1.00 0.61 H new ATOM 0 HG2 LYS A 345 17.569 6.127 5.130 1.00 0.63 H new ATOM 0 HG3 LYS A 345 17.311 7.398 6.308 1.00 0.63 H new ATOM 0 HD2 LYS A 345 14.994 6.601 6.683 1.00 0.62 H new ATOM 0 HD3 LYS A 345 15.217 5.351 5.475 1.00 0.62 H new ATOM 0 HE2 LYS A 345 15.533 4.432 7.729 1.00 0.71 H new ATOM 0 HE3 LYS A 345 17.022 4.335 6.811 1.00 0.71 H new ATOM 0 HZ1 LYS A 345 17.228 5.162 9.152 1.00 1.50 H new ATOM 0 HZ2 LYS A 345 17.929 6.162 7.972 1.00 1.50 H new ATOM 0 HZ3 LYS A 345 16.436 6.582 8.663 1.00 1.50 H new ATOM 632 N GLU A 346 15.133 7.589 1.028 1.00 0.53 N ATOM 633 CA GLU A 346 14.589 8.452 -0.010 1.00 0.58 C ATOM 634 C GLU A 346 13.237 7.940 -0.482 1.00 0.44 C ATOM 635 O GLU A 346 12.961 6.740 -0.418 1.00 0.42 O ATOM 636 CB GLU A 346 15.556 8.544 -1.192 1.00 0.77 C ATOM 637 CG GLU A 346 16.871 9.223 -0.847 1.00 0.95 C ATOM 638 CD GLU A 346 16.680 10.651 -0.382 1.00 1.61 C ATOM 639 OE1 GLU A 346 16.616 11.556 -1.238 1.00 1.81 O ATOM 640 OE2 GLU A 346 16.593 10.880 0.842 1.00 2.46 O ATOM 0 H GLU A 346 15.611 6.758 0.680 1.00 0.53 H new ATOM 0 HA GLU A 346 14.455 9.447 0.413 1.00 0.58 H new ATOM 0 HB2 GLU A 346 15.761 7.540 -1.563 1.00 0.77 H new ATOM 0 HB3 GLU A 346 15.075 9.091 -2.003 1.00 0.77 H new ATOM 0 HG2 GLU A 346 17.376 8.654 -0.066 1.00 0.95 H new ATOM 0 HG3 GLU A 346 17.522 9.213 -1.721 1.00 0.95 H new ATOM 647 N VAL A 347 12.396 8.856 -0.945 1.00 0.39 N ATOM 648 CA VAL A 347 11.091 8.495 -1.475 1.00 0.33 C ATOM 649 C VAL A 347 11.226 8.048 -2.924 1.00 0.31 C ATOM 650 O VAL A 347 11.492 8.855 -3.817 1.00 0.42 O ATOM 651 CB VAL A 347 10.087 9.666 -1.390 1.00 0.41 C ATOM 652 CG1 VAL A 347 8.719 9.239 -1.903 1.00 0.54 C ATOM 653 CG2 VAL A 347 9.986 10.182 0.038 1.00 0.58 C ATOM 0 H VAL A 347 12.597 9.856 -0.963 1.00 0.39 H new ATOM 0 HA VAL A 347 10.706 7.678 -0.865 1.00 0.33 H new ATOM 0 HB VAL A 347 10.452 10.475 -2.022 1.00 0.41 H new ATOM 0 HG11 VAL A 347 8.027 10.078 -1.835 1.00 0.54 H new ATOM 0 HG12 VAL A 347 8.803 8.922 -2.942 1.00 0.54 H new ATOM 0 HG13 VAL A 347 8.346 8.411 -1.300 1.00 0.54 H new ATOM 0 HG21 VAL A 347 9.274 11.006 0.077 1.00 0.58 H new ATOM 0 HG22 VAL A 347 9.647 9.379 0.692 1.00 0.58 H new ATOM 0 HG23 VAL A 347 10.964 10.531 0.369 1.00 0.58 H new ATOM 663 N ILE A 348 11.060 6.756 -3.146 1.00 0.25 N ATOM 664 CA ILE A 348 11.219 6.183 -4.471 1.00 0.26 C ATOM 665 C ILE A 348 9.977 6.423 -5.319 1.00 0.26 C ATOM 666 O ILE A 348 10.069 6.640 -6.529 1.00 0.35 O ATOM 667 CB ILE A 348 11.515 4.670 -4.386 1.00 0.27 C ATOM 668 CG1 ILE A 348 12.797 4.439 -3.585 1.00 0.29 C ATOM 669 CG2 ILE A 348 11.632 4.058 -5.776 1.00 0.32 C ATOM 670 CD1 ILE A 348 13.165 2.983 -3.431 1.00 0.31 C ATOM 0 H ILE A 348 10.814 6.081 -2.422 1.00 0.25 H new ATOM 0 HA ILE A 348 12.067 6.677 -4.946 1.00 0.26 H new ATOM 0 HB ILE A 348 10.685 4.180 -3.877 1.00 0.27 H new ATOM 0 HG12 ILE A 348 13.619 4.962 -4.074 1.00 0.29 H new ATOM 0 HG13 ILE A 348 12.681 4.881 -2.596 1.00 0.29 H new ATOM 0 HG21 ILE A 348 11.841 2.992 -5.688 1.00 0.32 H new ATOM 0 HG22 ILE A 348 10.696 4.201 -6.316 1.00 0.32 H new ATOM 0 HG23 ILE A 348 12.443 4.543 -6.320 1.00 0.32 H new ATOM 0 HD11 ILE A 348 14.085 2.899 -2.852 1.00 0.31 H new ATOM 0 HD12 ILE A 348 12.362 2.457 -2.914 1.00 0.31 H new ATOM 0 HD13 ILE A 348 13.315 2.539 -4.415 1.00 0.31 H new ATOM 682 N GLN A 349 8.816 6.404 -4.678 1.00 0.23 N ATOM 683 CA GLN A 349 7.557 6.572 -5.386 1.00 0.23 C ATOM 684 C GLN A 349 6.426 6.817 -4.399 1.00 0.22 C ATOM 685 O GLN A 349 6.423 6.258 -3.304 1.00 0.29 O ATOM 686 CB GLN A 349 7.268 5.324 -6.215 1.00 0.28 C ATOM 687 CG GLN A 349 6.247 5.534 -7.314 1.00 0.40 C ATOM 688 CD GLN A 349 6.022 4.275 -8.118 1.00 0.86 C ATOM 689 OE1 GLN A 349 6.915 3.435 -8.231 1.00 1.65 O ATOM 690 NE2 GLN A 349 4.841 4.139 -8.691 1.00 0.81 N ATOM 0 H GLN A 349 8.721 6.274 -3.671 1.00 0.23 H new ATOM 0 HA GLN A 349 7.632 7.435 -6.048 1.00 0.23 H new ATOM 0 HB2 GLN A 349 8.199 4.974 -6.661 1.00 0.28 H new ATOM 0 HB3 GLN A 349 6.915 4.534 -5.552 1.00 0.28 H new ATOM 0 HG2 GLN A 349 5.303 5.859 -6.876 1.00 0.40 H new ATOM 0 HG3 GLN A 349 6.584 6.332 -7.975 1.00 0.40 H new ATOM 0 HE21 GLN A 349 4.130 4.860 -8.571 1.00 0.81 H new ATOM 0 HE22 GLN A 349 4.639 3.313 -9.254 1.00 0.81 H new ATOM 699 N GLU A 350 5.478 7.657 -4.782 1.00 0.23 N ATOM 700 CA GLU A 350 4.334 7.958 -3.935 1.00 0.25 C ATOM 701 C GLU A 350 3.041 7.886 -4.744 1.00 0.26 C ATOM 702 O GLU A 350 2.998 8.316 -5.898 1.00 0.36 O ATOM 703 CB GLU A 350 4.495 9.347 -3.309 1.00 0.30 C ATOM 704 CG GLU A 350 3.334 9.761 -2.418 1.00 0.36 C ATOM 705 CD GLU A 350 3.470 11.177 -1.902 1.00 0.45 C ATOM 706 OE1 GLU A 350 3.114 12.123 -2.640 1.00 0.60 O ATOM 707 OE2 GLU A 350 3.922 11.359 -0.753 1.00 0.65 O ATOM 0 H GLU A 350 5.478 8.145 -5.678 1.00 0.23 H new ATOM 0 HA GLU A 350 4.283 7.217 -3.137 1.00 0.25 H new ATOM 0 HB2 GLU A 350 5.414 9.366 -2.723 1.00 0.30 H new ATOM 0 HB3 GLU A 350 4.609 10.082 -4.105 1.00 0.30 H new ATOM 0 HG2 GLU A 350 2.402 9.670 -2.976 1.00 0.36 H new ATOM 0 HG3 GLU A 350 3.267 9.076 -1.573 1.00 0.36 H new ATOM 714 N TRP A 351 2.003 7.326 -4.142 1.00 0.23 N ATOM 715 CA TRP A 351 0.694 7.250 -4.774 1.00 0.26 C ATOM 716 C TRP A 351 -0.329 8.021 -3.955 1.00 0.25 C ATOM 717 O TRP A 351 -0.375 7.886 -2.734 1.00 0.52 O ATOM 718 CB TRP A 351 0.217 5.801 -4.888 1.00 0.30 C ATOM 719 CG TRP A 351 1.115 4.904 -5.679 1.00 0.30 C ATOM 720 CD1 TRP A 351 1.215 4.835 -7.038 1.00 0.38 C ATOM 721 CD2 TRP A 351 2.017 3.924 -5.156 1.00 0.30 C ATOM 722 NE1 TRP A 351 2.128 3.874 -7.392 1.00 0.41 N ATOM 723 CE2 TRP A 351 2.635 3.302 -6.254 1.00 0.34 C ATOM 724 CE3 TRP A 351 2.366 3.516 -3.865 1.00 0.35 C ATOM 725 CZ2 TRP A 351 3.580 2.292 -6.103 1.00 0.38 C ATOM 726 CZ3 TRP A 351 3.301 2.512 -3.716 1.00 0.40 C ATOM 727 CH2 TRP A 351 3.901 1.910 -4.829 1.00 0.39 C ATOM 0 H TRP A 351 2.042 6.915 -3.210 1.00 0.23 H new ATOM 0 HA TRP A 351 0.789 7.680 -5.771 1.00 0.26 H new ATOM 0 HB2 TRP A 351 0.108 5.389 -3.885 1.00 0.30 H new ATOM 0 HB3 TRP A 351 -0.773 5.794 -5.344 1.00 0.30 H new ATOM 0 HD1 TRP A 351 0.658 5.446 -7.732 1.00 0.38 H new ATOM 0 HE1 TRP A 351 2.387 3.626 -8.347 1.00 0.41 H new ATOM 0 HE3 TRP A 351 1.912 3.978 -3.001 1.00 0.35 H new ATOM 0 HZ2 TRP A 351 4.043 1.826 -6.960 1.00 0.38 H new ATOM 0 HZ3 TRP A 351 3.575 2.185 -2.724 1.00 0.40 H new ATOM 0 HH2 TRP A 351 4.631 1.129 -4.679 1.00 0.39 H new ATOM 738 N SER A 352 -1.139 8.830 -4.619 1.00 0.31 N ATOM 739 CA SER A 352 -2.269 9.464 -3.966 1.00 0.30 C ATOM 740 C SER A 352 -3.337 8.406 -3.682 1.00 0.26 C ATOM 741 O SER A 352 -3.533 7.488 -4.483 1.00 0.28 O ATOM 742 CB SER A 352 -2.832 10.583 -4.851 1.00 0.35 C ATOM 743 OG SER A 352 -3.879 11.286 -4.203 1.00 1.27 O ATOM 0 H SER A 352 -1.034 9.062 -5.607 1.00 0.31 H new ATOM 0 HA SER A 352 -1.949 9.910 -3.025 1.00 0.30 H new ATOM 0 HB2 SER A 352 -2.034 11.278 -5.111 1.00 0.35 H new ATOM 0 HB3 SER A 352 -3.202 10.158 -5.784 1.00 0.35 H new ATOM 0 HG SER A 352 -4.213 11.992 -4.794 1.00 1.27 H new ATOM 749 N LEU A 353 -4.017 8.527 -2.545 1.00 0.25 N ATOM 750 CA LEU A 353 -5.017 7.540 -2.133 1.00 0.24 C ATOM 751 C LEU A 353 -6.175 7.467 -3.128 1.00 0.23 C ATOM 752 O LEU A 353 -6.877 6.459 -3.204 1.00 0.23 O ATOM 753 CB LEU A 353 -5.548 7.863 -0.731 1.00 0.25 C ATOM 754 CG LEU A 353 -4.511 7.801 0.394 1.00 0.26 C ATOM 755 CD1 LEU A 353 -5.141 8.167 1.729 1.00 0.31 C ATOM 756 CD2 LEU A 353 -3.883 6.419 0.470 1.00 0.26 C ATOM 0 H LEU A 353 -3.895 9.299 -1.890 1.00 0.25 H new ATOM 0 HA LEU A 353 -4.527 6.566 -2.112 1.00 0.24 H new ATOM 0 HB2 LEU A 353 -5.983 8.862 -0.747 1.00 0.25 H new ATOM 0 HB3 LEU A 353 -6.355 7.168 -0.497 1.00 0.25 H new ATOM 0 HG LEU A 353 -3.728 8.526 0.171 1.00 0.26 H new ATOM 0 HD11 LEU A 353 -4.386 8.116 2.514 1.00 0.31 H new ATOM 0 HD12 LEU A 353 -5.542 9.179 1.677 1.00 0.31 H new ATOM 0 HD13 LEU A 353 -5.947 7.468 1.955 1.00 0.31 H new ATOM 0 HD21 LEU A 353 -3.149 6.397 1.276 1.00 0.26 H new ATOM 0 HD22 LEU A 353 -4.658 5.677 0.664 1.00 0.26 H new ATOM 0 HD23 LEU A 353 -3.391 6.190 -0.475 1.00 0.26 H new ATOM 768 N THR A 354 -6.358 8.534 -3.898 1.00 0.26 N ATOM 769 CA THR A 354 -7.413 8.587 -4.905 1.00 0.28 C ATOM 770 C THR A 354 -7.119 7.639 -6.072 1.00 0.28 C ATOM 771 O THR A 354 -8.002 7.327 -6.874 1.00 0.35 O ATOM 772 CB THR A 354 -7.560 10.010 -5.481 1.00 0.36 C ATOM 773 OG1 THR A 354 -6.398 10.339 -6.257 1.00 0.44 O ATOM 774 CG2 THR A 354 -7.708 11.050 -4.389 1.00 0.42 C ATOM 0 H THR A 354 -5.787 9.378 -3.844 1.00 0.26 H new ATOM 0 HA THR A 354 -8.334 8.286 -4.405 1.00 0.28 H new ATOM 0 HB THR A 354 -8.459 10.018 -6.098 1.00 0.36 H new ATOM 0 HG1 THR A 354 -6.674 10.640 -7.148 1.00 0.44 H new ATOM 0 HG21 THR A 354 -7.809 12.038 -4.839 1.00 0.42 H new ATOM 0 HG22 THR A 354 -8.595 10.830 -3.795 1.00 0.42 H new ATOM 0 HG23 THR A 354 -6.827 11.032 -3.747 1.00 0.42 H new ATOM 782 N ASN A 355 -5.868 7.207 -6.183 1.00 0.26 N ATOM 783 CA ASN A 355 -5.445 6.381 -7.309 1.00 0.30 C ATOM 784 C ASN A 355 -5.732 4.917 -7.040 1.00 0.28 C ATOM 785 O ASN A 355 -5.684 4.090 -7.946 1.00 0.33 O ATOM 786 CB ASN A 355 -3.955 6.559 -7.599 1.00 0.37 C ATOM 787 CG ASN A 355 -3.573 7.999 -7.867 1.00 0.49 C ATOM 788 OD1 ASN A 355 -4.389 8.801 -8.322 1.00 0.83 O ATOM 789 ND2 ASN A 355 -2.321 8.328 -7.596 1.00 0.66 N ATOM 0 H ASN A 355 -5.130 7.414 -5.509 1.00 0.26 H new ATOM 0 HA ASN A 355 -6.014 6.706 -8.180 1.00 0.30 H new ATOM 0 HB2 ASN A 355 -3.379 6.188 -6.752 1.00 0.37 H new ATOM 0 HB3 ASN A 355 -3.683 5.950 -8.461 1.00 0.37 H new ATOM 0 HD21 ASN A 355 -1.996 9.280 -7.763 1.00 0.66 H new ATOM 0 HD22 ASN A 355 -1.680 7.629 -7.220 1.00 0.66 H new ATOM 796 N ILE A 356 -6.027 4.606 -5.789 1.00 0.26 N ATOM 797 CA ILE A 356 -6.314 3.241 -5.394 1.00 0.28 C ATOM 798 C ILE A 356 -7.676 2.816 -5.928 1.00 0.28 C ATOM 799 O ILE A 356 -8.622 3.600 -5.932 1.00 0.38 O ATOM 800 CB ILE A 356 -6.280 3.089 -3.853 1.00 0.31 C ATOM 801 CG1 ILE A 356 -4.905 3.500 -3.313 1.00 0.33 C ATOM 802 CG2 ILE A 356 -6.605 1.658 -3.445 1.00 0.36 C ATOM 803 CD1 ILE A 356 -4.800 3.449 -1.803 1.00 0.38 C ATOM 0 H ILE A 356 -6.074 5.284 -5.029 1.00 0.26 H new ATOM 0 HA ILE A 356 -5.544 2.597 -5.819 1.00 0.28 H new ATOM 0 HB ILE A 356 -7.037 3.745 -3.424 1.00 0.31 H new ATOM 0 HG12 ILE A 356 -4.146 2.846 -3.743 1.00 0.33 H new ATOM 0 HG13 ILE A 356 -4.681 4.512 -3.649 1.00 0.33 H new ATOM 0 HG21 ILE A 356 -6.575 1.574 -2.359 1.00 0.36 H new ATOM 0 HG22 ILE A 356 -7.601 1.395 -3.802 1.00 0.36 H new ATOM 0 HG23 ILE A 356 -5.872 0.980 -3.882 1.00 0.36 H new ATOM 0 HD11 ILE A 356 -3.799 3.753 -1.497 1.00 0.38 H new ATOM 0 HD12 ILE A 356 -5.534 4.125 -1.364 1.00 0.38 H new ATOM 0 HD13 ILE A 356 -4.991 2.432 -1.459 1.00 0.38 H new ATOM 815 N LYS A 357 -7.760 1.591 -6.420 1.00 0.26 N ATOM 816 CA LYS A 357 -9.026 1.032 -6.868 1.00 0.30 C ATOM 817 C LYS A 357 -9.556 0.068 -5.815 1.00 0.31 C ATOM 818 O LYS A 357 -10.760 -0.015 -5.567 1.00 0.45 O ATOM 819 CB LYS A 357 -8.842 0.306 -8.204 1.00 0.35 C ATOM 820 CG LYS A 357 -10.137 -0.207 -8.811 1.00 0.46 C ATOM 821 CD LYS A 357 -9.882 -0.948 -10.113 1.00 0.60 C ATOM 822 CE LYS A 357 -11.177 -1.425 -10.751 1.00 0.79 C ATOM 823 NZ LYS A 357 -12.038 -0.294 -11.189 1.00 1.75 N ATOM 0 H LYS A 357 -6.963 0.962 -6.520 1.00 0.26 H new ATOM 0 HA LYS A 357 -9.744 1.840 -7.010 1.00 0.30 H new ATOM 0 HB2 LYS A 357 -8.364 0.984 -8.912 1.00 0.35 H new ATOM 0 HB3 LYS A 357 -8.163 -0.534 -8.059 1.00 0.35 H new ATOM 0 HG2 LYS A 357 -10.634 -0.871 -8.104 1.00 0.46 H new ATOM 0 HG3 LYS A 357 -10.812 0.629 -8.992 1.00 0.46 H new ATOM 0 HD2 LYS A 357 -9.354 -0.294 -10.807 1.00 0.60 H new ATOM 0 HD3 LYS A 357 -9.233 -1.803 -9.924 1.00 0.60 H new ATOM 0 HE2 LYS A 357 -10.946 -2.057 -11.609 1.00 0.79 H new ATOM 0 HE3 LYS A 357 -11.725 -2.042 -10.039 1.00 0.79 H new ATOM 0 HZ1 LYS A 357 -12.814 -0.657 -11.779 1.00 1.75 H new ATOM 0 HZ2 LYS A 357 -12.433 0.185 -10.355 1.00 1.75 H new ATOM 0 HZ3 LYS A 357 -11.470 0.381 -11.740 1.00 1.75 H new ATOM 837 N ARG A 358 -8.627 -0.651 -5.195 1.00 0.26 N ATOM 838 CA ARG A 358 -8.943 -1.632 -4.168 1.00 0.29 C ATOM 839 C ARG A 358 -7.657 -2.202 -3.596 1.00 0.28 C ATOM 840 O ARG A 358 -6.588 -2.047 -4.190 1.00 0.35 O ATOM 841 CB ARG A 358 -9.799 -2.762 -4.744 1.00 0.34 C ATOM 842 CG ARG A 358 -9.196 -3.407 -5.982 1.00 0.37 C ATOM 843 CD ARG A 358 -10.127 -4.448 -6.571 1.00 0.54 C ATOM 844 NE ARG A 358 -11.469 -3.913 -6.788 1.00 0.83 N ATOM 845 CZ ARG A 358 -12.096 -3.926 -7.959 1.00 1.19 C ATOM 846 NH1 ARG A 358 -11.497 -4.413 -9.037 1.00 1.46 N ATOM 847 NH2 ARG A 358 -13.324 -3.438 -8.055 1.00 1.75 N ATOM 0 H ARG A 358 -7.630 -0.568 -5.393 1.00 0.26 H new ATOM 0 HA ARG A 358 -9.509 -1.139 -3.377 1.00 0.29 H new ATOM 0 HB2 ARG A 358 -9.942 -3.525 -3.979 1.00 0.34 H new ATOM 0 HB3 ARG A 358 -10.786 -2.370 -4.992 1.00 0.34 H new ATOM 0 HG2 ARG A 358 -8.986 -2.641 -6.728 1.00 0.37 H new ATOM 0 HG3 ARG A 358 -8.244 -3.871 -5.725 1.00 0.37 H new ATOM 0 HD2 ARG A 358 -9.721 -4.806 -7.517 1.00 0.54 H new ATOM 0 HD3 ARG A 358 -10.182 -5.307 -5.902 1.00 0.54 H new ATOM 0 HE ARG A 358 -11.955 -3.504 -5.990 1.00 0.83 H new ATOM 0 HH11 ARG A 358 -10.548 -4.781 -8.971 1.00 1.46 H new ATOM 0 HH12 ARG A 358 -11.985 -4.419 -9.933 1.00 1.46 H new ATOM 0 HH21 ARG A 358 -13.786 -3.053 -7.231 1.00 1.75 H new ATOM 0 HH22 ARG A 358 -13.808 -3.447 -8.953 1.00 1.75 H new ATOM 861 N TRP A 359 -7.750 -2.853 -2.451 1.00 0.25 N ATOM 862 CA TRP A 359 -6.588 -3.490 -1.861 1.00 0.27 C ATOM 863 C TRP A 359 -6.961 -4.813 -1.210 1.00 0.28 C ATOM 864 O TRP A 359 -8.116 -5.037 -0.841 1.00 0.36 O ATOM 865 CB TRP A 359 -5.899 -2.565 -0.848 1.00 0.28 C ATOM 866 CG TRP A 359 -6.766 -2.117 0.295 1.00 0.27 C ATOM 867 CD1 TRP A 359 -7.057 -2.819 1.429 1.00 0.36 C ATOM 868 CD2 TRP A 359 -7.430 -0.855 0.424 1.00 0.25 C ATOM 869 NE1 TRP A 359 -7.864 -2.073 2.253 1.00 0.35 N ATOM 870 CE2 TRP A 359 -8.108 -0.865 1.657 1.00 0.29 C ATOM 871 CE3 TRP A 359 -7.522 0.280 -0.385 1.00 0.32 C ATOM 872 CZ2 TRP A 359 -8.863 0.218 2.100 1.00 0.33 C ATOM 873 CZ3 TRP A 359 -8.272 1.354 0.057 1.00 0.40 C ATOM 874 CH2 TRP A 359 -8.934 1.316 1.289 1.00 0.39 C ATOM 0 H TRP A 359 -8.612 -2.954 -1.915 1.00 0.25 H new ATOM 0 HA TRP A 359 -5.882 -3.693 -2.666 1.00 0.27 H new ATOM 0 HB2 TRP A 359 -5.027 -3.079 -0.443 1.00 0.28 H new ATOM 0 HB3 TRP A 359 -5.533 -1.683 -1.374 1.00 0.28 H new ATOM 0 HD1 TRP A 359 -6.704 -3.816 1.647 1.00 0.36 H new ATOM 0 HE1 TRP A 359 -8.223 -2.370 3.160 1.00 0.35 H new ATOM 0 HE3 TRP A 359 -7.016 0.318 -1.339 1.00 0.32 H new ATOM 0 HZ2 TRP A 359 -9.374 0.191 3.051 1.00 0.33 H new ATOM 0 HZ3 TRP A 359 -8.348 2.238 -0.559 1.00 0.40 H new ATOM 0 HH2 TRP A 359 -9.513 2.171 1.606 1.00 0.39 H new ATOM 885 N ALA A 360 -5.975 -5.686 -1.098 1.00 0.25 N ATOM 886 CA ALA A 360 -6.143 -6.966 -0.437 1.00 0.27 C ATOM 887 C ALA A 360 -5.188 -7.061 0.740 1.00 0.25 C ATOM 888 O ALA A 360 -3.966 -7.057 0.565 1.00 0.31 O ATOM 889 CB ALA A 360 -5.909 -8.110 -1.412 1.00 0.31 C ATOM 0 H ALA A 360 -5.036 -5.526 -1.463 1.00 0.25 H new ATOM 0 HA ALA A 360 -7.167 -7.043 -0.071 1.00 0.27 H new ATOM 0 HB1 ALA A 360 -6.040 -9.061 -0.895 1.00 0.31 H new ATOM 0 HB2 ALA A 360 -6.624 -8.041 -2.232 1.00 0.31 H new ATOM 0 HB3 ALA A 360 -4.895 -8.049 -1.808 1.00 0.31 H new ATOM 895 N ALA A 361 -5.747 -7.120 1.933 1.00 0.26 N ATOM 896 CA ALA A 361 -4.954 -7.177 3.143 1.00 0.27 C ATOM 897 C ALA A 361 -4.929 -8.587 3.708 1.00 0.25 C ATOM 898 O ALA A 361 -5.968 -9.236 3.830 1.00 0.38 O ATOM 899 CB ALA A 361 -5.504 -6.203 4.172 1.00 0.35 C ATOM 0 H ALA A 361 -6.755 -7.130 2.089 1.00 0.26 H new ATOM 0 HA ALA A 361 -3.930 -6.893 2.899 1.00 0.27 H new ATOM 0 HB1 ALA A 361 -4.901 -6.253 5.079 1.00 0.35 H new ATOM 0 HB2 ALA A 361 -5.470 -5.191 3.769 1.00 0.35 H new ATOM 0 HB3 ALA A 361 -6.535 -6.466 4.407 1.00 0.35 H new ATOM 905 N SER A 362 -3.742 -9.065 4.030 1.00 0.32 N ATOM 906 CA SER A 362 -3.585 -10.355 4.676 1.00 0.40 C ATOM 907 C SER A 362 -2.470 -10.261 5.712 1.00 0.42 C ATOM 908 O SER A 362 -1.622 -9.374 5.624 1.00 0.44 O ATOM 909 CB SER A 362 -3.280 -11.445 3.637 1.00 0.47 C ATOM 910 OG SER A 362 -2.114 -11.134 2.891 1.00 1.00 O ATOM 0 H SER A 362 -2.865 -8.575 3.853 1.00 0.32 H new ATOM 0 HA SER A 362 -4.514 -10.628 5.176 1.00 0.40 H new ATOM 0 HB2 SER A 362 -3.148 -12.403 4.140 1.00 0.47 H new ATOM 0 HB3 SER A 362 -4.128 -11.554 2.961 1.00 0.47 H new ATOM 0 HG SER A 362 -1.858 -10.203 3.057 1.00 1.00 H new ATOM 916 N PRO A 363 -2.450 -11.158 6.707 1.00 0.46 N ATOM 917 CA PRO A 363 -1.405 -11.151 7.733 1.00 0.48 C ATOM 918 C PRO A 363 -0.060 -11.622 7.180 1.00 0.45 C ATOM 919 O PRO A 363 0.962 -11.568 7.861 1.00 0.66 O ATOM 920 CB PRO A 363 -1.934 -12.128 8.786 1.00 0.58 C ATOM 921 CG PRO A 363 -2.834 -13.048 8.038 1.00 0.60 C ATOM 922 CD PRO A 363 -3.434 -12.239 6.919 1.00 0.53 C ATOM 0 HA PRO A 363 -1.217 -10.152 8.126 1.00 0.48 H new ATOM 0 HB2 PRO A 363 -1.120 -12.673 9.263 1.00 0.58 H new ATOM 0 HB3 PRO A 363 -2.473 -11.604 9.576 1.00 0.58 H new ATOM 0 HG2 PRO A 363 -2.279 -13.901 7.647 1.00 0.60 H new ATOM 0 HG3 PRO A 363 -3.612 -13.446 8.690 1.00 0.60 H new ATOM 0 HD2 PRO A 363 -3.571 -12.839 6.019 1.00 0.53 H new ATOM 0 HD3 PRO A 363 -4.413 -11.843 7.190 1.00 0.53 H new ATOM 930 N LYS A 364 -0.074 -12.077 5.935 1.00 0.44 N ATOM 931 CA LYS A 364 1.127 -12.581 5.290 1.00 0.44 C ATOM 932 C LYS A 364 1.678 -11.569 4.287 1.00 0.37 C ATOM 933 O LYS A 364 2.892 -11.468 4.096 1.00 0.40 O ATOM 934 CB LYS A 364 0.815 -13.904 4.587 1.00 0.56 C ATOM 935 CG LYS A 364 2.023 -14.573 3.958 1.00 0.72 C ATOM 936 CD LYS A 364 1.630 -15.856 3.246 1.00 0.98 C ATOM 937 CE LYS A 364 2.834 -16.557 2.641 1.00 1.26 C ATOM 938 NZ LYS A 364 3.801 -17.006 3.677 1.00 2.08 N ATOM 0 H LYS A 364 -0.909 -12.107 5.350 1.00 0.44 H new ATOM 0 HA LYS A 364 1.887 -12.745 6.053 1.00 0.44 H new ATOM 0 HB2 LYS A 364 0.368 -14.589 5.308 1.00 0.56 H new ATOM 0 HB3 LYS A 364 0.069 -13.724 3.813 1.00 0.56 H new ATOM 0 HG2 LYS A 364 2.493 -13.890 3.250 1.00 0.72 H new ATOM 0 HG3 LYS A 364 2.763 -14.793 4.728 1.00 0.72 H new ATOM 0 HD2 LYS A 364 1.135 -16.525 3.950 1.00 0.98 H new ATOM 0 HD3 LYS A 364 0.909 -15.630 2.461 1.00 0.98 H new ATOM 0 HE2 LYS A 364 2.498 -17.418 2.062 1.00 1.26 H new ATOM 0 HE3 LYS A 364 3.335 -15.882 1.947 1.00 1.26 H new ATOM 0 HZ1 LYS A 364 4.486 -17.663 3.251 1.00 2.08 H new ATOM 0 HZ2 LYS A 364 4.305 -16.182 4.062 1.00 2.08 H new ATOM 0 HZ3 LYS A 364 3.290 -17.488 4.443 1.00 2.08 H new ATOM 952 N SER A 365 0.789 -10.806 3.663 1.00 0.35 N ATOM 953 CA SER A 365 1.188 -9.896 2.599 1.00 0.34 C ATOM 954 C SER A 365 0.165 -8.779 2.402 1.00 0.32 C ATOM 955 O SER A 365 -0.936 -8.823 2.954 1.00 0.52 O ATOM 956 CB SER A 365 1.357 -10.684 1.299 1.00 0.40 C ATOM 957 OG SER A 365 0.209 -11.475 1.039 1.00 1.32 O ATOM 0 H SER A 365 -0.209 -10.800 3.875 1.00 0.35 H new ATOM 0 HA SER A 365 2.133 -9.432 2.880 1.00 0.34 H new ATOM 0 HB2 SER A 365 1.526 -9.996 0.470 1.00 0.40 H new ATOM 0 HB3 SER A 365 2.237 -11.323 1.367 1.00 0.40 H new ATOM 0 HG SER A 365 -0.503 -11.234 1.667 1.00 1.32 H new ATOM 963 N PHE A 366 0.530 -7.785 1.613 1.00 0.19 N ATOM 964 CA PHE A 366 -0.373 -6.696 1.284 1.00 0.16 C ATOM 965 C PHE A 366 -0.320 -6.426 -0.215 1.00 0.16 C ATOM 966 O PHE A 366 0.754 -6.464 -0.816 1.00 0.28 O ATOM 967 CB PHE A 366 0.004 -5.439 2.074 1.00 0.19 C ATOM 968 CG PHE A 366 -0.943 -4.291 1.879 1.00 0.20 C ATOM 969 CD1 PHE A 366 -2.245 -4.364 2.344 1.00 0.23 C ATOM 970 CD2 PHE A 366 -0.528 -3.136 1.236 1.00 0.25 C ATOM 971 CE1 PHE A 366 -3.118 -3.309 2.168 1.00 0.28 C ATOM 972 CE2 PHE A 366 -1.396 -2.079 1.060 1.00 0.29 C ATOM 973 CZ PHE A 366 -2.693 -2.165 1.526 1.00 0.30 C ATOM 0 H PHE A 366 1.453 -7.709 1.185 1.00 0.19 H new ATOM 0 HA PHE A 366 -1.391 -6.976 1.556 1.00 0.16 H new ATOM 0 HB2 PHE A 366 0.045 -5.687 3.135 1.00 0.19 H new ATOM 0 HB3 PHE A 366 1.006 -5.125 1.781 1.00 0.19 H new ATOM 0 HD1 PHE A 366 -2.582 -5.257 2.850 1.00 0.23 H new ATOM 0 HD2 PHE A 366 0.485 -3.063 0.869 1.00 0.25 H new ATOM 0 HE1 PHE A 366 -4.132 -3.380 2.533 1.00 0.28 H new ATOM 0 HE2 PHE A 366 -1.061 -1.184 0.557 1.00 0.29 H new ATOM 0 HZ PHE A 366 -3.373 -1.338 1.388 1.00 0.30 H new ATOM 983 N THR A 367 -1.475 -6.188 -0.822 1.00 0.17 N ATOM 984 CA THR A 367 -1.539 -5.948 -2.255 1.00 0.19 C ATOM 985 C THR A 367 -2.452 -4.770 -2.588 1.00 0.19 C ATOM 986 O THR A 367 -3.622 -4.752 -2.209 1.00 0.27 O ATOM 987 CB THR A 367 -2.025 -7.205 -3.003 1.00 0.26 C ATOM 988 OG1 THR A 367 -1.124 -8.291 -2.751 1.00 0.34 O ATOM 989 CG2 THR A 367 -2.115 -6.957 -4.503 1.00 0.32 C ATOM 0 H THR A 367 -2.376 -6.156 -0.346 1.00 0.17 H new ATOM 0 HA THR A 367 -0.528 -5.705 -2.583 1.00 0.19 H new ATOM 0 HB THR A 367 -3.022 -7.454 -2.638 1.00 0.26 H new ATOM 0 HG1 THR A 367 -0.480 -8.359 -3.487 1.00 0.34 H new ATOM 0 HG21 THR A 367 -2.461 -7.863 -5.001 1.00 0.32 H new ATOM 0 HG22 THR A 367 -2.817 -6.146 -4.696 1.00 0.32 H new ATOM 0 HG23 THR A 367 -1.132 -6.685 -4.886 1.00 0.32 H new ATOM 997 N LEU A 368 -1.899 -3.790 -3.290 1.00 0.20 N ATOM 998 CA LEU A 368 -2.664 -2.639 -3.752 1.00 0.22 C ATOM 999 C LEU A 368 -2.961 -2.750 -5.243 1.00 0.23 C ATOM 1000 O LEU A 368 -2.141 -3.265 -6.006 1.00 0.33 O ATOM 1001 CB LEU A 368 -1.889 -1.342 -3.497 1.00 0.24 C ATOM 1002 CG LEU A 368 -1.862 -0.858 -2.048 1.00 0.25 C ATOM 1003 CD1 LEU A 368 -0.880 0.293 -1.892 1.00 0.29 C ATOM 1004 CD2 LEU A 368 -3.252 -0.426 -1.610 1.00 0.25 C ATOM 0 H LEU A 368 -0.914 -3.770 -3.554 1.00 0.20 H new ATOM 0 HA LEU A 368 -3.602 -2.621 -3.197 1.00 0.22 H new ATOM 0 HB2 LEU A 368 -0.862 -1.483 -3.832 1.00 0.24 H new ATOM 0 HB3 LEU A 368 -2.321 -0.555 -4.115 1.00 0.24 H new ATOM 0 HG LEU A 368 -1.536 -1.682 -1.413 1.00 0.25 H new ATOM 0 HD11 LEU A 368 -0.872 0.627 -0.854 1.00 0.29 H new ATOM 0 HD12 LEU A 368 0.119 -0.040 -2.173 1.00 0.29 H new ATOM 0 HD13 LEU A 368 -1.182 1.119 -2.536 1.00 0.29 H new ATOM 0 HD21 LEU A 368 -3.218 -0.084 -0.576 1.00 0.25 H new ATOM 0 HD22 LEU A 368 -3.599 0.386 -2.250 1.00 0.25 H new ATOM 0 HD23 LEU A 368 -3.937 -1.270 -1.690 1.00 0.25 H new ATOM 1016 N ASP A 369 -4.136 -2.287 -5.644 1.00 0.21 N ATOM 1017 CA ASP A 369 -4.471 -2.145 -7.056 1.00 0.24 C ATOM 1018 C ASP A 369 -4.838 -0.701 -7.344 1.00 0.21 C ATOM 1019 O ASP A 369 -5.546 -0.066 -6.558 1.00 0.22 O ATOM 1020 CB ASP A 369 -5.630 -3.059 -7.463 1.00 0.31 C ATOM 1021 CG ASP A 369 -6.052 -2.845 -8.911 1.00 0.99 C ATOM 1022 OD1 ASP A 369 -5.179 -2.579 -9.765 1.00 1.52 O ATOM 1023 OD2 ASP A 369 -7.261 -2.948 -9.203 1.00 1.47 O ATOM 0 H ASP A 369 -4.879 -2.001 -5.007 1.00 0.21 H new ATOM 0 HA ASP A 369 -3.597 -2.437 -7.639 1.00 0.24 H new ATOM 0 HB2 ASP A 369 -5.337 -4.099 -7.322 1.00 0.31 H new ATOM 0 HB3 ASP A 369 -6.482 -2.876 -6.808 1.00 0.31 H new ATOM 1028 N PHE A 370 -4.355 -0.185 -8.460 1.00 0.25 N ATOM 1029 CA PHE A 370 -4.587 1.204 -8.818 1.00 0.26 C ATOM 1030 C PHE A 370 -5.445 1.298 -10.074 1.00 0.31 C ATOM 1031 O PHE A 370 -5.660 2.385 -10.613 1.00 0.35 O ATOM 1032 CB PHE A 370 -3.253 1.925 -9.011 1.00 0.31 C ATOM 1033 CG PHE A 370 -2.398 1.905 -7.775 1.00 0.32 C ATOM 1034 CD1 PHE A 370 -2.655 2.773 -6.727 1.00 0.35 C ATOM 1035 CD2 PHE A 370 -1.347 1.010 -7.657 1.00 0.37 C ATOM 1036 CE1 PHE A 370 -1.882 2.748 -5.583 1.00 0.41 C ATOM 1037 CE2 PHE A 370 -0.569 0.982 -6.517 1.00 0.42 C ATOM 1038 CZ PHE A 370 -0.837 1.851 -5.479 1.00 0.44 C ATOM 0 H PHE A 370 -3.798 -0.708 -9.136 1.00 0.25 H new ATOM 0 HA PHE A 370 -5.128 1.691 -8.007 1.00 0.26 H new ATOM 0 HB2 PHE A 370 -2.708 1.459 -9.832 1.00 0.31 H new ATOM 0 HB3 PHE A 370 -3.442 2.959 -9.300 1.00 0.31 H new ATOM 0 HD1 PHE A 370 -3.470 3.478 -6.805 1.00 0.35 H new ATOM 0 HD2 PHE A 370 -1.134 0.327 -8.466 1.00 0.37 H new ATOM 0 HE1 PHE A 370 -2.094 3.428 -4.771 1.00 0.41 H new ATOM 0 HE2 PHE A 370 0.249 0.281 -6.438 1.00 0.42 H new ATOM 0 HZ PHE A 370 -0.230 1.830 -4.586 1.00 0.44 H new ATOM 1048 N GLY A 371 -5.921 0.148 -10.538 1.00 0.40 N ATOM 1049 CA GLY A 371 -6.849 0.111 -11.650 1.00 0.50 C ATOM 1050 C GLY A 371 -6.282 0.691 -12.929 1.00 0.49 C ATOM 1051 O GLY A 371 -5.389 0.109 -13.544 1.00 0.58 O ATOM 0 H GLY A 371 -5.677 -0.767 -10.159 1.00 0.40 H new ATOM 0 HA2 GLY A 371 -7.147 -0.922 -11.830 1.00 0.50 H new ATOM 0 HA3 GLY A 371 -7.750 0.661 -11.379 1.00 0.50 H new ATOM 1055 N ASP A 372 -6.794 1.850 -13.315 1.00 0.49 N ATOM 1056 CA ASP A 372 -6.427 2.476 -14.583 1.00 0.56 C ATOM 1057 C ASP A 372 -5.194 3.353 -14.426 1.00 0.55 C ATOM 1058 O ASP A 372 -4.785 4.038 -15.362 1.00 0.72 O ATOM 1059 CB ASP A 372 -7.583 3.319 -15.128 1.00 0.71 C ATOM 1060 CG ASP A 372 -8.877 2.539 -15.246 1.00 1.57 C ATOM 1061 OD1 ASP A 372 -8.946 1.607 -16.076 1.00 1.89 O ATOM 1062 OD2 ASP A 372 -9.830 2.852 -14.501 1.00 2.38 O ATOM 0 H ASP A 372 -7.470 2.382 -12.766 1.00 0.49 H new ATOM 0 HA ASP A 372 -6.203 1.675 -15.288 1.00 0.56 H new ATOM 0 HB2 ASP A 372 -7.740 4.177 -14.474 1.00 0.71 H new ATOM 0 HB3 ASP A 372 -7.310 3.711 -16.108 1.00 0.71 H new ATOM 1067 N TYR A 373 -4.594 3.324 -13.245 1.00 0.52 N ATOM 1068 CA TYR A 373 -3.394 4.103 -12.994 1.00 0.51 C ATOM 1069 C TYR A 373 -2.171 3.315 -13.444 1.00 0.52 C ATOM 1070 O TYR A 373 -1.204 3.885 -13.957 1.00 0.60 O ATOM 1071 CB TYR A 373 -3.290 4.457 -11.507 1.00 0.50 C ATOM 1072 CG TYR A 373 -2.134 5.376 -11.173 1.00 0.51 C ATOM 1073 CD1 TYR A 373 -2.259 6.753 -11.308 1.00 0.56 C ATOM 1074 CD2 TYR A 373 -0.923 4.867 -10.722 1.00 0.56 C ATOM 1075 CE1 TYR A 373 -1.209 7.598 -11.005 1.00 0.64 C ATOM 1076 CE2 TYR A 373 0.132 5.705 -10.417 1.00 0.64 C ATOM 1077 CZ TYR A 373 -0.016 7.068 -10.560 1.00 0.67 C ATOM 1078 OH TYR A 373 1.033 7.906 -10.258 1.00 0.79 O ATOM 0 H TYR A 373 -4.917 2.772 -12.450 1.00 0.52 H new ATOM 0 HA TYR A 373 -3.445 5.032 -13.561 1.00 0.51 H new ATOM 0 HB2 TYR A 373 -4.220 4.930 -11.191 1.00 0.50 H new ATOM 0 HB3 TYR A 373 -3.188 3.537 -10.931 1.00 0.50 H new ATOM 0 HD1 TYR A 373 -3.193 7.170 -11.656 1.00 0.56 H new ATOM 0 HD2 TYR A 373 -0.804 3.800 -10.608 1.00 0.56 H new ATOM 0 HE1 TYR A 373 -1.322 8.666 -11.116 1.00 0.64 H new ATOM 0 HE2 TYR A 373 1.068 5.294 -10.068 1.00 0.64 H new ATOM 0 HH TYR A 373 1.800 7.375 -9.958 1.00 0.79 H new ATOM 1088 N GLN A 374 -2.229 2.003 -13.264 1.00 0.53 N ATOM 1089 CA GLN A 374 -1.170 1.113 -13.712 1.00 0.59 C ATOM 1090 C GLN A 374 -1.684 -0.319 -13.770 1.00 0.60 C ATOM 1091 O GLN A 374 -2.491 -0.731 -12.931 1.00 0.59 O ATOM 1092 CB GLN A 374 0.056 1.200 -12.791 1.00 0.63 C ATOM 1093 CG GLN A 374 -0.207 0.765 -11.356 1.00 0.59 C ATOM 1094 CD GLN A 374 1.051 0.760 -10.505 1.00 0.69 C ATOM 1095 OE1 GLN A 374 1.979 1.657 -10.806 1.00 1.09 O flip ATOM 1096 NE2 GLN A 374 1.186 -0.040 -9.579 1.00 0.85 N flip ATOM 0 H GLN A 374 -3.007 1.529 -12.806 1.00 0.53 H new ATOM 0 HA GLN A 374 -0.863 1.425 -14.710 1.00 0.59 H new ATOM 0 HB2 GLN A 374 0.852 0.582 -13.206 1.00 0.63 H new ATOM 0 HB3 GLN A 374 0.420 2.227 -12.786 1.00 0.63 H new ATOM 0 HG2 GLN A 374 -0.942 1.433 -10.907 1.00 0.59 H new ATOM 0 HG3 GLN A 374 -0.644 -0.234 -11.358 1.00 0.59 H new ATOM 0 HE21 GLN A 374 0.449 -0.716 -9.378 1.00 0.85 H new ATOM 0 HE22 GLN A 374 2.035 -0.027 -9.013 1.00 0.85 H new ATOM 1105 N ASP A 375 -1.241 -1.068 -14.767 1.00 0.74 N ATOM 1106 CA ASP A 375 -1.607 -2.472 -14.872 1.00 0.78 C ATOM 1107 C ASP A 375 -0.676 -3.310 -14.011 1.00 0.64 C ATOM 1108 O ASP A 375 0.524 -3.036 -13.924 1.00 0.73 O ATOM 1109 CB ASP A 375 -1.566 -2.956 -16.323 1.00 1.06 C ATOM 1110 CG ASP A 375 -1.977 -4.411 -16.450 1.00 1.71 C ATOM 1111 OD1 ASP A 375 -3.117 -4.752 -16.067 1.00 2.21 O ATOM 1112 OD2 ASP A 375 -1.160 -5.227 -16.929 1.00 2.30 O ATOM 0 H ASP A 375 -0.631 -0.730 -15.511 1.00 0.74 H new ATOM 0 HA ASP A 375 -2.631 -2.584 -14.516 1.00 0.78 H new ATOM 0 HB2 ASP A 375 -2.228 -2.338 -16.930 1.00 1.06 H new ATOM 0 HB3 ASP A 375 -0.559 -2.828 -16.719 1.00 1.06 H new ATOM 1117 N GLY A 376 -1.231 -4.323 -13.376 1.00 0.57 N ATOM 1118 CA GLY A 376 -0.480 -5.090 -12.413 1.00 0.53 C ATOM 1119 C GLY A 376 -0.829 -4.657 -11.010 1.00 0.52 C ATOM 1120 O GLY A 376 -1.612 -3.724 -10.828 1.00 0.70 O ATOM 0 H GLY A 376 -2.194 -4.630 -13.511 1.00 0.57 H new ATOM 0 HA2 GLY A 376 -0.694 -6.152 -12.537 1.00 0.53 H new ATOM 0 HA3 GLY A 376 0.588 -4.958 -12.586 1.00 0.53 H new ATOM 1124 N TYR A 377 -0.265 -5.314 -10.018 1.00 0.46 N ATOM 1125 CA TYR A 377 -0.594 -5.004 -8.640 1.00 0.46 C ATOM 1126 C TYR A 377 0.646 -4.609 -7.859 1.00 0.37 C ATOM 1127 O TYR A 377 1.760 -4.602 -8.389 1.00 0.38 O ATOM 1128 CB TYR A 377 -1.278 -6.200 -7.974 1.00 0.53 C ATOM 1129 CG TYR A 377 -2.565 -6.610 -8.652 1.00 0.63 C ATOM 1130 CD1 TYR A 377 -3.708 -5.830 -8.537 1.00 0.83 C ATOM 1131 CD2 TYR A 377 -2.635 -7.771 -9.410 1.00 0.64 C ATOM 1132 CE1 TYR A 377 -4.886 -6.195 -9.161 1.00 0.97 C ATOM 1133 CE2 TYR A 377 -3.810 -8.143 -10.035 1.00 0.76 C ATOM 1134 CZ TYR A 377 -4.931 -7.351 -9.908 1.00 0.91 C ATOM 1135 OH TYR A 377 -6.101 -7.713 -10.537 1.00 1.06 O ATOM 0 H TYR A 377 0.419 -6.061 -10.137 1.00 0.46 H new ATOM 0 HA TYR A 377 -1.281 -4.158 -8.640 1.00 0.46 H new ATOM 0 HB2 TYR A 377 -0.592 -7.047 -7.972 1.00 0.53 H new ATOM 0 HB3 TYR A 377 -1.487 -5.956 -6.932 1.00 0.53 H new ATOM 0 HD1 TYR A 377 -3.676 -4.924 -7.951 1.00 0.83 H new ATOM 0 HD2 TYR A 377 -1.758 -8.393 -9.513 1.00 0.64 H new ATOM 0 HE1 TYR A 377 -5.766 -5.577 -9.063 1.00 0.97 H new ATOM 0 HE2 TYR A 377 -3.850 -9.050 -10.620 1.00 0.76 H new ATOM 0 HH TYR A 377 -5.965 -8.553 -11.023 1.00 1.06 H new ATOM 1145 N TYR A 378 0.442 -4.273 -6.600 1.00 0.32 N ATOM 1146 CA TYR A 378 1.533 -3.943 -5.706 1.00 0.29 C ATOM 1147 C TYR A 378 1.511 -4.898 -4.520 1.00 0.24 C ATOM 1148 O TYR A 378 0.860 -4.640 -3.509 1.00 0.26 O ATOM 1149 CB TYR A 378 1.416 -2.486 -5.243 1.00 0.31 C ATOM 1150 CG TYR A 378 2.494 -2.052 -4.274 1.00 0.32 C ATOM 1151 CD1 TYR A 378 3.811 -1.899 -4.688 1.00 0.36 C ATOM 1152 CD2 TYR A 378 2.189 -1.786 -2.944 1.00 0.37 C ATOM 1153 CE1 TYR A 378 4.793 -1.495 -3.804 1.00 0.41 C ATOM 1154 CE2 TYR A 378 3.165 -1.382 -2.056 1.00 0.40 C ATOM 1155 CZ TYR A 378 4.464 -1.238 -2.489 1.00 0.41 C ATOM 1156 OH TYR A 378 5.438 -0.835 -1.606 1.00 0.47 O ATOM 0 H TYR A 378 -0.481 -4.221 -6.170 1.00 0.32 H new ATOM 0 HA TYR A 378 2.484 -4.050 -6.228 1.00 0.29 H new ATOM 0 HB2 TYR A 378 1.446 -1.836 -6.117 1.00 0.31 H new ATOM 0 HB3 TYR A 378 0.443 -2.343 -4.773 1.00 0.31 H new ATOM 0 HD1 TYR A 378 4.071 -2.099 -5.717 1.00 0.36 H new ATOM 0 HD2 TYR A 378 1.171 -1.897 -2.600 1.00 0.37 H new ATOM 0 HE1 TYR A 378 5.813 -1.381 -4.141 1.00 0.41 H new ATOM 0 HE2 TYR A 378 2.911 -1.180 -1.026 1.00 0.40 H new ATOM 0 HH TYR A 378 6.322 -1.010 -1.992 1.00 0.47 H new ATOM 1166 N SER A 379 2.182 -6.027 -4.682 1.00 0.26 N ATOM 1167 CA SER A 379 2.212 -7.057 -3.661 1.00 0.27 C ATOM 1168 C SER A 379 3.536 -7.037 -2.909 1.00 0.24 C ATOM 1169 O SER A 379 4.609 -7.176 -3.501 1.00 0.29 O ATOM 1170 CB SER A 379 1.986 -8.434 -4.291 1.00 0.36 C ATOM 1171 OG SER A 379 0.709 -8.511 -4.902 1.00 1.06 O ATOM 0 H SER A 379 2.718 -6.253 -5.520 1.00 0.26 H new ATOM 0 HA SER A 379 1.410 -6.856 -2.950 1.00 0.27 H new ATOM 0 HB2 SER A 379 2.760 -8.630 -5.033 1.00 0.36 H new ATOM 0 HB3 SER A 379 2.074 -9.206 -3.527 1.00 0.36 H new ATOM 0 HG SER A 379 0.589 -9.399 -5.298 1.00 1.06 H new ATOM 1177 N VAL A 380 3.451 -6.852 -1.603 1.00 0.22 N ATOM 1178 CA VAL A 380 4.623 -6.867 -0.746 1.00 0.24 C ATOM 1179 C VAL A 380 4.418 -7.833 0.412 1.00 0.23 C ATOM 1180 O VAL A 380 3.302 -7.986 0.915 1.00 0.30 O ATOM 1181 CB VAL A 380 4.948 -5.461 -0.192 1.00 0.27 C ATOM 1182 CG1 VAL A 380 5.438 -4.547 -1.303 1.00 0.33 C ATOM 1183 CG2 VAL A 380 3.733 -4.854 0.498 1.00 0.29 C ATOM 0 H VAL A 380 2.573 -6.688 -1.110 1.00 0.22 H new ATOM 0 HA VAL A 380 5.465 -7.195 -1.355 1.00 0.24 H new ATOM 0 HB VAL A 380 5.743 -5.566 0.546 1.00 0.27 H new ATOM 0 HG11 VAL A 380 5.661 -3.562 -0.892 1.00 0.33 H new ATOM 0 HG12 VAL A 380 6.340 -4.967 -1.749 1.00 0.33 H new ATOM 0 HG13 VAL A 380 4.665 -4.455 -2.066 1.00 0.33 H new ATOM 0 HG21 VAL A 380 3.987 -3.865 0.879 1.00 0.29 H new ATOM 0 HG22 VAL A 380 2.914 -4.768 -0.216 1.00 0.29 H new ATOM 0 HG23 VAL A 380 3.427 -5.494 1.326 1.00 0.29 H new ATOM 1193 N GLN A 381 5.489 -8.498 0.815 1.00 0.22 N ATOM 1194 CA GLN A 381 5.440 -9.403 1.950 1.00 0.24 C ATOM 1195 C GLN A 381 5.559 -8.598 3.235 1.00 0.24 C ATOM 1196 O GLN A 381 6.527 -7.862 3.424 1.00 0.32 O ATOM 1197 CB GLN A 381 6.563 -10.439 1.857 1.00 0.34 C ATOM 1198 CG GLN A 381 6.581 -11.431 3.010 1.00 0.43 C ATOM 1199 CD GLN A 381 7.686 -12.461 2.877 1.00 0.72 C ATOM 1200 OE1 GLN A 381 8.808 -12.249 3.340 1.00 1.47 O ATOM 1201 NE2 GLN A 381 7.379 -13.584 2.247 1.00 0.94 N ATOM 0 H GLN A 381 6.405 -8.427 0.371 1.00 0.22 H new ATOM 0 HA GLN A 381 4.490 -9.937 1.947 1.00 0.24 H new ATOM 0 HB2 GLN A 381 6.462 -10.987 0.920 1.00 0.34 H new ATOM 0 HB3 GLN A 381 7.521 -9.920 1.821 1.00 0.34 H new ATOM 0 HG2 GLN A 381 6.705 -10.890 3.948 1.00 0.43 H new ATOM 0 HG3 GLN A 381 5.619 -11.941 3.061 1.00 0.43 H new ATOM 0 HE21 GLN A 381 6.438 -13.721 1.878 1.00 0.94 H new ATOM 0 HE22 GLN A 381 8.083 -14.312 2.131 1.00 0.94 H new ATOM 1210 N THR A 382 4.571 -8.718 4.102 1.00 0.21 N ATOM 1211 CA THR A 382 4.536 -7.926 5.316 1.00 0.26 C ATOM 1212 C THR A 382 3.675 -8.592 6.380 1.00 0.25 C ATOM 1213 O THR A 382 2.646 -9.197 6.077 1.00 0.30 O ATOM 1214 CB THR A 382 4.014 -6.494 5.037 1.00 0.30 C ATOM 1215 OG1 THR A 382 3.835 -5.773 6.262 1.00 0.42 O ATOM 1216 CG2 THR A 382 2.702 -6.525 4.269 1.00 0.28 C ATOM 0 H THR A 382 3.783 -9.356 3.988 1.00 0.21 H new ATOM 0 HA THR A 382 5.559 -7.857 5.687 1.00 0.26 H new ATOM 0 HB THR A 382 4.762 -5.987 4.428 1.00 0.30 H new ATOM 0 HG1 THR A 382 3.662 -4.829 6.064 1.00 0.42 H new ATOM 0 HG21 THR A 382 2.362 -5.505 4.089 1.00 0.28 H new ATOM 0 HG22 THR A 382 2.850 -7.032 3.316 1.00 0.28 H new ATOM 0 HG23 THR A 382 1.952 -7.060 4.851 1.00 0.28 H new ATOM 1224 N THR A 383 4.111 -8.480 7.622 1.00 0.31 N ATOM 1225 CA THR A 383 3.378 -9.017 8.752 1.00 0.37 C ATOM 1226 C THR A 383 2.330 -8.019 9.231 1.00 0.36 C ATOM 1227 O THR A 383 1.434 -8.355 10.007 1.00 0.46 O ATOM 1228 CB THR A 383 4.348 -9.349 9.900 1.00 0.50 C ATOM 1229 OG1 THR A 383 5.332 -8.311 10.007 1.00 0.55 O ATOM 1230 CG2 THR A 383 5.038 -10.683 9.661 1.00 0.55 C ATOM 0 H THR A 383 4.983 -8.014 7.874 1.00 0.31 H new ATOM 0 HA THR A 383 2.873 -9.929 8.435 1.00 0.37 H new ATOM 0 HB THR A 383 3.778 -9.419 10.827 1.00 0.50 H new ATOM 0 HG1 THR A 383 6.108 -8.538 9.454 1.00 0.55 H new ATOM 0 HG21 THR A 383 5.718 -10.894 10.486 1.00 0.55 H new ATOM 0 HG22 THR A 383 4.290 -11.473 9.596 1.00 0.55 H new ATOM 0 HG23 THR A 383 5.601 -10.639 8.729 1.00 0.55 H new ATOM 1238 N GLU A 384 2.437 -6.791 8.742 1.00 0.31 N ATOM 1239 CA GLU A 384 1.544 -5.716 9.149 1.00 0.35 C ATOM 1240 C GLU A 384 0.590 -5.353 8.017 1.00 0.28 C ATOM 1241 O GLU A 384 0.007 -4.269 8.012 1.00 0.27 O ATOM 1242 CB GLU A 384 2.359 -4.488 9.559 1.00 0.46 C ATOM 1243 CG GLU A 384 3.358 -4.763 10.670 1.00 0.57 C ATOM 1244 CD GLU A 384 4.090 -3.516 11.119 1.00 0.90 C ATOM 1245 OE1 GLU A 384 3.593 -2.822 12.030 1.00 1.39 O ATOM 1246 OE2 GLU A 384 5.167 -3.222 10.557 1.00 0.95 O ATOM 0 H GLU A 384 3.140 -6.514 8.057 1.00 0.31 H new ATOM 0 HA GLU A 384 0.956 -6.058 10.001 1.00 0.35 H new ATOM 0 HB2 GLU A 384 2.893 -4.109 8.687 1.00 0.46 H new ATOM 0 HB3 GLU A 384 1.677 -3.701 9.882 1.00 0.46 H new ATOM 0 HG2 GLU A 384 2.837 -5.200 11.522 1.00 0.57 H new ATOM 0 HG3 GLU A 384 4.083 -5.501 10.327 1.00 0.57 H new ATOM 1253 N GLY A 385 0.416 -6.283 7.080 1.00 0.27 N ATOM 1254 CA GLY A 385 -0.418 -6.044 5.911 1.00 0.27 C ATOM 1255 C GLY A 385 -1.826 -5.599 6.257 1.00 0.26 C ATOM 1256 O GLY A 385 -2.372 -4.696 5.620 1.00 0.27 O ATOM 0 H GLY A 385 0.843 -7.209 7.110 1.00 0.27 H new ATOM 0 HA2 GLY A 385 0.052 -5.284 5.287 1.00 0.27 H new ATOM 0 HA3 GLY A 385 -0.469 -6.957 5.317 1.00 0.27 H new ATOM 1260 N GLU A 386 -2.410 -6.219 7.274 1.00 0.30 N ATOM 1261 CA GLU A 386 -3.764 -5.885 7.700 1.00 0.35 C ATOM 1262 C GLU A 386 -3.805 -4.466 8.266 1.00 0.31 C ATOM 1263 O GLU A 386 -4.752 -3.710 8.027 1.00 0.36 O ATOM 1264 CB GLU A 386 -4.242 -6.882 8.757 1.00 0.44 C ATOM 1265 CG GLU A 386 -5.739 -6.846 9.014 1.00 0.53 C ATOM 1266 CD GLU A 386 -6.544 -7.426 7.869 1.00 1.40 C ATOM 1267 OE1 GLU A 386 -6.554 -8.665 7.704 1.00 2.28 O ATOM 1268 OE2 GLU A 386 -7.148 -6.638 7.113 1.00 1.77 O ATOM 0 H GLU A 386 -1.967 -6.957 7.821 1.00 0.30 H new ATOM 0 HA GLU A 386 -4.426 -5.939 6.836 1.00 0.35 H new ATOM 0 HB2 GLU A 386 -3.962 -7.888 8.444 1.00 0.44 H new ATOM 0 HB3 GLU A 386 -3.719 -6.682 9.692 1.00 0.44 H new ATOM 0 HG2 GLU A 386 -5.960 -7.401 9.926 1.00 0.53 H new ATOM 0 HG3 GLU A 386 -6.049 -5.815 9.185 1.00 0.53 H new ATOM 1275 N GLN A 387 -2.755 -4.105 8.998 1.00 0.29 N ATOM 1276 CA GLN A 387 -2.672 -2.797 9.635 1.00 0.30 C ATOM 1277 C GLN A 387 -2.499 -1.698 8.594 1.00 0.27 C ATOM 1278 O GLN A 387 -3.054 -0.610 8.738 1.00 0.31 O ATOM 1279 CB GLN A 387 -1.521 -2.738 10.648 1.00 0.35 C ATOM 1280 CG GLN A 387 -1.758 -3.545 11.921 1.00 0.45 C ATOM 1281 CD GLN A 387 -1.669 -5.043 11.705 1.00 1.13 C ATOM 1282 OE1 GLN A 387 -2.662 -5.700 11.400 1.00 2.27 O ATOM 1283 NE2 GLN A 387 -0.480 -5.595 11.875 1.00 0.83 N ATOM 0 H GLN A 387 -1.947 -4.704 9.164 1.00 0.29 H new ATOM 0 HA GLN A 387 -3.609 -2.637 10.169 1.00 0.30 H new ATOM 0 HB2 GLN A 387 -0.612 -3.099 10.168 1.00 0.35 H new ATOM 0 HB3 GLN A 387 -1.346 -1.697 10.920 1.00 0.35 H new ATOM 0 HG2 GLN A 387 -1.026 -3.249 12.672 1.00 0.45 H new ATOM 0 HG3 GLN A 387 -2.742 -3.300 12.321 1.00 0.45 H new ATOM 0 HE21 GLN A 387 0.320 -5.015 12.128 1.00 0.83 H new ATOM 0 HE22 GLN A 387 -0.363 -6.601 11.753 1.00 0.83 H new ATOM 1292 N ILE A 388 -1.731 -1.990 7.546 1.00 0.24 N ATOM 1293 CA ILE A 388 -1.525 -1.039 6.459 1.00 0.23 C ATOM 1294 C ILE A 388 -2.863 -0.637 5.857 1.00 0.22 C ATOM 1295 O ILE A 388 -3.178 0.548 5.740 1.00 0.22 O ATOM 1296 CB ILE A 388 -0.635 -1.627 5.342 1.00 0.23 C ATOM 1297 CG1 ILE A 388 0.694 -2.119 5.914 1.00 0.27 C ATOM 1298 CG2 ILE A 388 -0.391 -0.584 4.258 1.00 0.24 C ATOM 1299 CD1 ILE A 388 1.574 -2.819 4.899 1.00 0.29 C ATOM 0 H ILE A 388 -1.242 -2.877 7.428 1.00 0.24 H new ATOM 0 HA ILE A 388 -1.022 -0.169 6.882 1.00 0.23 H new ATOM 0 HB ILE A 388 -1.154 -2.478 4.900 1.00 0.23 H new ATOM 0 HG12 ILE A 388 1.237 -1.270 6.328 1.00 0.27 H new ATOM 0 HG13 ILE A 388 0.493 -2.802 6.739 1.00 0.27 H new ATOM 0 HG21 ILE A 388 0.238 -1.011 3.477 1.00 0.24 H new ATOM 0 HG22 ILE A 388 -1.344 -0.276 3.829 1.00 0.24 H new ATOM 0 HG23 ILE A 388 0.108 0.282 4.692 1.00 0.24 H new ATOM 0 HD11 ILE A 388 2.499 -3.139 5.379 1.00 0.29 H new ATOM 0 HD12 ILE A 388 1.051 -3.689 4.502 1.00 0.29 H new ATOM 0 HD13 ILE A 388 1.807 -2.133 4.085 1.00 0.29 H new ATOM 1311 N ALA A 389 -3.655 -1.640 5.506 1.00 0.22 N ATOM 1312 CA ALA A 389 -4.959 -1.420 4.903 1.00 0.24 C ATOM 1313 C ALA A 389 -5.876 -0.634 5.831 1.00 0.22 C ATOM 1314 O ALA A 389 -6.570 0.287 5.398 1.00 0.23 O ATOM 1315 CB ALA A 389 -5.589 -2.751 4.544 1.00 0.28 C ATOM 0 H ALA A 389 -3.413 -2.623 5.631 1.00 0.22 H new ATOM 0 HA ALA A 389 -4.820 -0.829 3.997 1.00 0.24 H new ATOM 0 HB1 ALA A 389 -6.566 -2.581 4.092 1.00 0.28 H new ATOM 0 HB2 ALA A 389 -4.949 -3.277 3.836 1.00 0.28 H new ATOM 0 HB3 ALA A 389 -5.706 -3.353 5.445 1.00 0.28 H new ATOM 1321 N GLN A 390 -5.859 -0.987 7.113 1.00 0.22 N ATOM 1322 CA GLN A 390 -6.711 -0.327 8.095 1.00 0.25 C ATOM 1323 C GLN A 390 -6.293 1.128 8.272 1.00 0.21 C ATOM 1324 O GLN A 390 -7.129 2.001 8.506 1.00 0.23 O ATOM 1325 CB GLN A 390 -6.657 -1.059 9.438 1.00 0.34 C ATOM 1326 CG GLN A 390 -7.647 -0.523 10.462 1.00 0.50 C ATOM 1327 CD GLN A 390 -7.601 -1.278 11.777 1.00 1.15 C ATOM 1328 OE1 GLN A 390 -8.306 -2.273 11.960 1.00 1.99 O ATOM 1329 NE2 GLN A 390 -6.785 -0.806 12.705 1.00 1.61 N ATOM 0 H GLN A 390 -5.266 -1.724 7.495 1.00 0.22 H new ATOM 0 HA GLN A 390 -7.737 -0.354 7.728 1.00 0.25 H new ATOM 0 HB2 GLN A 390 -6.854 -2.118 9.274 1.00 0.34 H new ATOM 0 HB3 GLN A 390 -5.649 -0.982 9.844 1.00 0.34 H new ATOM 0 HG2 GLN A 390 -7.437 0.531 10.646 1.00 0.50 H new ATOM 0 HG3 GLN A 390 -8.655 -0.580 10.051 1.00 0.50 H new ATOM 0 HE21 GLN A 390 -6.218 0.020 12.513 1.00 1.61 H new ATOM 0 HE22 GLN A 390 -6.722 -1.268 13.612 1.00 1.61 H new ATOM 1338 N LEU A 391 -4.998 1.390 8.150 1.00 0.21 N ATOM 1339 CA LEU A 391 -4.487 2.747 8.269 1.00 0.22 C ATOM 1340 C LEU A 391 -4.887 3.568 7.049 1.00 0.20 C ATOM 1341 O LEU A 391 -5.317 4.717 7.176 1.00 0.22 O ATOM 1342 CB LEU A 391 -2.966 2.741 8.429 1.00 0.26 C ATOM 1343 CG LEU A 391 -2.356 4.084 8.834 1.00 0.27 C ATOM 1344 CD1 LEU A 391 -2.845 4.498 10.213 1.00 0.60 C ATOM 1345 CD2 LEU A 391 -0.839 4.012 8.808 1.00 0.63 C ATOM 0 H LEU A 391 -4.286 0.683 7.969 1.00 0.21 H new ATOM 0 HA LEU A 391 -4.923 3.202 9.159 1.00 0.22 H new ATOM 0 HB2 LEU A 391 -2.697 1.996 9.177 1.00 0.26 H new ATOM 0 HB3 LEU A 391 -2.517 2.424 7.488 1.00 0.26 H new ATOM 0 HG LEU A 391 -2.677 4.837 8.114 1.00 0.27 H new ATOM 0 HD11 LEU A 391 -2.401 5.456 10.484 1.00 0.60 H new ATOM 0 HD12 LEU A 391 -3.931 4.592 10.201 1.00 0.60 H new ATOM 0 HD13 LEU A 391 -2.555 3.743 10.944 1.00 0.60 H new ATOM 0 HD21 LEU A 391 -0.424 4.977 9.099 1.00 0.63 H new ATOM 0 HD22 LEU A 391 -0.499 3.246 9.505 1.00 0.63 H new ATOM 0 HD23 LEU A 391 -0.504 3.762 7.801 1.00 0.63 H new ATOM 1357 N ILE A 392 -4.760 2.966 5.868 1.00 0.18 N ATOM 1358 CA ILE A 392 -5.160 3.619 4.625 1.00 0.17 C ATOM 1359 C ILE A 392 -6.646 3.963 4.660 1.00 0.17 C ATOM 1360 O ILE A 392 -7.031 5.109 4.431 1.00 0.19 O ATOM 1361 CB ILE A 392 -4.863 2.737 3.390 1.00 0.17 C ATOM 1362 CG1 ILE A 392 -3.359 2.473 3.278 1.00 0.19 C ATOM 1363 CG2 ILE A 392 -5.385 3.394 2.118 1.00 0.19 C ATOM 1364 CD1 ILE A 392 -2.982 1.560 2.129 1.00 0.21 C ATOM 0 H ILE A 392 -4.383 2.026 5.747 1.00 0.18 H new ATOM 0 HA ILE A 392 -4.574 4.534 4.538 1.00 0.17 H new ATOM 0 HB ILE A 392 -5.377 1.784 3.516 1.00 0.17 H new ATOM 0 HG12 ILE A 392 -2.841 3.424 3.159 1.00 0.19 H new ATOM 0 HG13 ILE A 392 -3.007 2.032 4.211 1.00 0.19 H new ATOM 0 HG21 ILE A 392 -5.165 2.756 1.262 1.00 0.19 H new ATOM 0 HG22 ILE A 392 -6.463 3.535 2.198 1.00 0.19 H new ATOM 0 HG23 ILE A 392 -4.901 4.361 1.983 1.00 0.19 H new ATOM 0 HD11 ILE A 392 -1.901 1.420 2.115 1.00 0.21 H new ATOM 0 HD12 ILE A 392 -3.471 0.594 2.256 1.00 0.21 H new ATOM 0 HD13 ILE A 392 -3.302 2.008 1.188 1.00 0.21 H new ATOM 1376 N ALA A 393 -7.473 2.970 4.977 1.00 0.18 N ATOM 1377 CA ALA A 393 -8.914 3.171 5.073 1.00 0.21 C ATOM 1378 C ALA A 393 -9.247 4.174 6.176 1.00 0.23 C ATOM 1379 O ALA A 393 -10.231 4.914 6.085 1.00 0.29 O ATOM 1380 CB ALA A 393 -9.618 1.844 5.323 1.00 0.24 C ATOM 0 H ALA A 393 -7.168 2.016 5.172 1.00 0.18 H new ATOM 0 HA ALA A 393 -9.269 3.578 4.126 1.00 0.21 H new ATOM 0 HB1 ALA A 393 -10.693 2.010 5.392 1.00 0.24 H new ATOM 0 HB2 ALA A 393 -9.409 1.160 4.500 1.00 0.24 H new ATOM 0 HB3 ALA A 393 -9.257 1.411 6.256 1.00 0.24 H new ATOM 1386 N GLY A 394 -8.412 4.197 7.211 1.00 0.23 N ATOM 1387 CA GLY A 394 -8.595 5.131 8.304 1.00 0.27 C ATOM 1388 C GLY A 394 -8.426 6.571 7.864 1.00 0.28 C ATOM 1389 O GLY A 394 -9.300 7.405 8.103 1.00 0.35 O ATOM 0 H GLY A 394 -7.606 3.579 7.311 1.00 0.23 H new ATOM 0 HA2 GLY A 394 -9.589 4.998 8.730 1.00 0.27 H new ATOM 0 HA3 GLY A 394 -7.877 4.908 9.094 1.00 0.27 H new ATOM 1393 N TYR A 395 -7.306 6.862 7.211 1.00 0.27 N ATOM 1394 CA TYR A 395 -7.049 8.205 6.702 1.00 0.30 C ATOM 1395 C TYR A 395 -8.028 8.559 5.594 1.00 0.30 C ATOM 1396 O TYR A 395 -8.517 9.687 5.520 1.00 0.36 O ATOM 1397 CB TYR A 395 -5.620 8.327 6.175 1.00 0.31 C ATOM 1398 CG TYR A 395 -4.568 8.371 7.257 1.00 0.37 C ATOM 1399 CD1 TYR A 395 -4.670 9.269 8.311 1.00 0.48 C ATOM 1400 CD2 TYR A 395 -3.468 7.524 7.219 1.00 0.41 C ATOM 1401 CE1 TYR A 395 -3.706 9.321 9.298 1.00 0.58 C ATOM 1402 CE2 TYR A 395 -2.498 7.573 8.202 1.00 0.51 C ATOM 1403 CZ TYR A 395 -2.622 8.474 9.238 1.00 0.58 C ATOM 1404 OH TYR A 395 -1.661 8.527 10.221 1.00 0.70 O ATOM 0 H TYR A 395 -6.564 6.189 7.022 1.00 0.27 H new ATOM 0 HA TYR A 395 -7.181 8.900 7.531 1.00 0.30 H new ATOM 0 HB2 TYR A 395 -5.414 7.484 5.516 1.00 0.31 H new ATOM 0 HB3 TYR A 395 -5.543 9.231 5.570 1.00 0.31 H new ATOM 0 HD1 TYR A 395 -5.517 9.937 8.360 1.00 0.48 H new ATOM 0 HD2 TYR A 395 -3.369 6.816 6.409 1.00 0.41 H new ATOM 0 HE1 TYR A 395 -3.802 10.023 10.113 1.00 0.58 H new ATOM 0 HE2 TYR A 395 -1.647 6.909 8.159 1.00 0.51 H new ATOM 0 HH TYR A 395 -0.964 7.864 10.033 1.00 0.70 H new ATOM 1414 N ILE A 396 -8.307 7.583 4.739 1.00 0.27 N ATOM 1415 CA ILE A 396 -9.239 7.760 3.634 1.00 0.31 C ATOM 1416 C ILE A 396 -10.606 8.229 4.123 1.00 0.37 C ATOM 1417 O ILE A 396 -11.187 9.146 3.548 1.00 0.45 O ATOM 1418 CB ILE A 396 -9.367 6.453 2.819 1.00 0.33 C ATOM 1419 CG1 ILE A 396 -8.249 6.386 1.775 1.00 0.34 C ATOM 1420 CG2 ILE A 396 -10.736 6.321 2.167 1.00 0.38 C ATOM 1421 CD1 ILE A 396 -8.212 5.087 1.003 1.00 0.42 C ATOM 0 H ILE A 396 -7.896 6.651 4.792 1.00 0.27 H new ATOM 0 HA ILE A 396 -8.840 8.538 2.983 1.00 0.31 H new ATOM 0 HB ILE A 396 -9.265 5.612 3.505 1.00 0.33 H new ATOM 0 HG12 ILE A 396 -8.370 7.211 1.073 1.00 0.34 H new ATOM 0 HG13 ILE A 396 -7.290 6.529 2.273 1.00 0.34 H new ATOM 0 HG21 ILE A 396 -10.783 5.389 1.604 1.00 0.38 H new ATOM 0 HG22 ILE A 396 -11.507 6.319 2.937 1.00 0.38 H new ATOM 0 HG23 ILE A 396 -10.900 7.161 1.492 1.00 0.38 H new ATOM 0 HD11 ILE A 396 -7.394 5.115 0.283 1.00 0.42 H new ATOM 0 HD12 ILE A 396 -8.059 4.258 1.694 1.00 0.42 H new ATOM 0 HD13 ILE A 396 -9.156 4.951 0.475 1.00 0.42 H new ATOM 1433 N ASP A 397 -11.094 7.623 5.202 1.00 0.38 N ATOM 1434 CA ASP A 397 -12.400 7.972 5.766 1.00 0.47 C ATOM 1435 C ASP A 397 -12.475 9.456 6.122 1.00 0.51 C ATOM 1436 O ASP A 397 -13.531 10.079 6.019 1.00 0.63 O ATOM 1437 CB ASP A 397 -12.681 7.125 7.008 1.00 0.52 C ATOM 1438 CG ASP A 397 -13.962 7.526 7.715 1.00 0.69 C ATOM 1439 OD1 ASP A 397 -15.051 7.101 7.274 1.00 0.73 O ATOM 1440 OD2 ASP A 397 -13.878 8.259 8.723 1.00 0.99 O ATOM 0 H ASP A 397 -10.604 6.884 5.707 1.00 0.38 H new ATOM 0 HA ASP A 397 -13.156 7.766 5.008 1.00 0.47 H new ATOM 0 HB2 ASP A 397 -12.743 6.076 6.720 1.00 0.52 H new ATOM 0 HB3 ASP A 397 -11.845 7.216 7.701 1.00 0.52 H new ATOM 1445 N ILE A 398 -11.342 10.021 6.519 1.00 0.47 N ATOM 1446 CA ILE A 398 -11.272 11.429 6.885 1.00 0.53 C ATOM 1447 C ILE A 398 -11.418 12.317 5.650 1.00 0.55 C ATOM 1448 O ILE A 398 -11.934 13.433 5.730 1.00 0.65 O ATOM 1449 CB ILE A 398 -9.938 11.758 7.591 1.00 0.54 C ATOM 1450 CG1 ILE A 398 -9.704 10.797 8.759 1.00 0.57 C ATOM 1451 CG2 ILE A 398 -9.931 13.202 8.081 1.00 0.62 C ATOM 1452 CD1 ILE A 398 -8.366 10.988 9.442 1.00 0.81 C ATOM 0 H ILE A 398 -10.455 9.523 6.596 1.00 0.47 H new ATOM 0 HA ILE A 398 -12.094 11.626 7.573 1.00 0.53 H new ATOM 0 HB ILE A 398 -9.128 11.636 6.871 1.00 0.54 H new ATOM 0 HG12 ILE A 398 -10.499 10.929 9.493 1.00 0.57 H new ATOM 0 HG13 ILE A 398 -9.774 9.772 8.395 1.00 0.57 H new ATOM 0 HG21 ILE A 398 -8.983 13.414 8.575 1.00 0.62 H new ATOM 0 HG22 ILE A 398 -10.056 13.875 7.233 1.00 0.62 H new ATOM 0 HG23 ILE A 398 -10.749 13.351 8.786 1.00 0.62 H new ATOM 0 HD11 ILE A 398 -8.269 10.273 10.259 1.00 0.81 H new ATOM 0 HD12 ILE A 398 -7.564 10.826 8.722 1.00 0.81 H new ATOM 0 HD13 ILE A 398 -8.300 12.002 9.837 1.00 0.81 H new ATOM 1464 N ILE A 399 -10.984 11.804 4.502 1.00 0.50 N ATOM 1465 CA ILE A 399 -10.988 12.579 3.267 1.00 0.52 C ATOM 1466 C ILE A 399 -12.411 12.785 2.749 1.00 0.59 C ATOM 1467 O ILE A 399 -12.689 13.758 2.046 1.00 0.72 O ATOM 1468 CB ILE A 399 -10.130 11.909 2.166 1.00 0.47 C ATOM 1469 CG1 ILE A 399 -8.738 11.570 2.705 1.00 0.47 C ATOM 1470 CG2 ILE A 399 -10.014 12.827 0.954 1.00 0.50 C ATOM 1471 CD1 ILE A 399 -7.857 10.851 1.704 1.00 0.48 C ATOM 0 H ILE A 399 -10.625 10.854 4.402 1.00 0.50 H new ATOM 0 HA ILE A 399 -10.551 13.549 3.504 1.00 0.52 H new ATOM 0 HB ILE A 399 -10.620 10.985 1.861 1.00 0.47 H new ATOM 0 HG12 ILE A 399 -8.244 12.491 3.015 1.00 0.47 H new ATOM 0 HG13 ILE A 399 -8.844 10.949 3.595 1.00 0.47 H new ATOM 0 HG21 ILE A 399 -9.408 12.343 0.188 1.00 0.50 H new ATOM 0 HG22 ILE A 399 -11.008 13.031 0.556 1.00 0.50 H new ATOM 0 HG23 ILE A 399 -9.543 13.764 1.251 1.00 0.50 H new ATOM 0 HD11 ILE A 399 -6.887 10.644 2.156 1.00 0.48 H new ATOM 0 HD12 ILE A 399 -8.329 9.913 1.412 1.00 0.48 H new ATOM 0 HD13 ILE A 399 -7.720 11.478 0.823 1.00 0.48 H new ATOM 1603 N TRP B 374 -11.229 -8.379 -1.049 1.00 1.08 N ATOM 1604 CA TRP B 374 -10.799 -7.080 -1.545 1.00 0.61 C ATOM 1605 C TRP B 374 -11.582 -5.980 -0.859 1.00 0.55 C ATOM 1606 O TRP B 374 -12.775 -6.128 -0.590 1.00 0.90 O ATOM 1607 CB TRP B 374 -10.996 -6.979 -3.059 1.00 0.88 C ATOM 1608 CG TRP B 374 -10.090 -7.868 -3.854 1.00 0.97 C ATOM 1609 CD1 TRP B 374 -10.323 -9.165 -4.201 1.00 1.38 C ATOM 1610 CD2 TRP B 374 -8.813 -7.526 -4.413 1.00 0.81 C ATOM 1611 NE1 TRP B 374 -9.276 -9.650 -4.944 1.00 1.42 N ATOM 1612 CE2 TRP B 374 -8.336 -8.665 -5.088 1.00 1.02 C ATOM 1613 CE3 TRP B 374 -8.027 -6.368 -4.414 1.00 0.85 C ATOM 1614 CZ2 TRP B 374 -7.114 -8.680 -5.755 1.00 0.98 C ATOM 1615 CZ3 TRP B 374 -6.813 -6.384 -5.075 1.00 0.97 C ATOM 1616 CH2 TRP B 374 -6.368 -7.534 -5.737 1.00 0.88 C ATOM 0 HA TRP B 374 -9.738 -6.967 -1.324 1.00 0.61 H new ATOM 0 HB2 TRP B 374 -12.031 -7.226 -3.297 1.00 0.88 H new ATOM 0 HB3 TRP B 374 -10.836 -5.946 -3.367 1.00 0.88 H new ATOM 0 HD1 TRP B 374 -11.203 -9.729 -3.931 1.00 1.38 H new ATOM 0 HE1 TRP B 374 -9.209 -10.593 -5.327 1.00 1.42 H new ATOM 0 HE3 TRP B 374 -8.364 -5.476 -3.906 1.00 0.85 H new ATOM 0 HZ2 TRP B 374 -6.768 -9.565 -6.268 1.00 0.98 H new ATOM 0 HZ3 TRP B 374 -6.199 -5.496 -5.081 1.00 0.97 H new ATOM 0 HH2 TRP B 374 -5.415 -7.516 -6.245 1.00 0.88 H new ATOM 1627 N VAL B 375 -10.905 -4.890 -0.567 1.00 0.40 N ATOM 1628 CA VAL B 375 -11.549 -3.742 0.055 1.00 0.38 C ATOM 1629 C VAL B 375 -11.700 -2.626 -0.968 1.00 0.44 C ATOM 1630 O VAL B 375 -10.717 -2.184 -1.568 1.00 0.53 O ATOM 1631 CB VAL B 375 -10.771 -3.222 1.290 1.00 0.48 C ATOM 1632 CG1 VAL B 375 -11.523 -2.066 1.951 1.00 0.84 C ATOM 1633 CG2 VAL B 375 -10.535 -4.347 2.296 1.00 1.07 C ATOM 0 H VAL B 375 -9.908 -4.770 -0.749 1.00 0.40 H new ATOM 0 HA VAL B 375 -12.528 -4.067 0.406 1.00 0.38 H new ATOM 0 HB VAL B 375 -9.802 -2.857 0.951 1.00 0.48 H new ATOM 0 HG11 VAL B 375 -10.961 -1.714 2.816 1.00 0.84 H new ATOM 0 HG12 VAL B 375 -11.638 -1.251 1.237 1.00 0.84 H new ATOM 0 HG13 VAL B 375 -12.507 -2.408 2.272 1.00 0.84 H new ATOM 0 HG21 VAL B 375 -9.987 -3.958 3.154 1.00 1.07 H new ATOM 0 HG22 VAL B 375 -11.494 -4.746 2.628 1.00 1.07 H new ATOM 0 HG23 VAL B 375 -9.955 -5.141 1.825 1.00 1.07 H new ATOM 1643 N GLU B 376 -12.933 -2.184 -1.163 1.00 0.51 N ATOM 1644 CA GLU B 376 -13.242 -1.178 -2.167 1.00 0.63 C ATOM 1645 C GLU B 376 -13.178 0.209 -1.539 1.00 0.52 C ATOM 1646 O GLU B 376 -13.656 0.412 -0.420 1.00 0.61 O ATOM 1647 CB GLU B 376 -14.639 -1.415 -2.752 1.00 0.86 C ATOM 1648 CG GLU B 376 -14.838 -2.780 -3.408 1.00 1.43 C ATOM 1649 CD GLU B 376 -13.988 -2.986 -4.643 1.00 1.69 C ATOM 1650 OE1 GLU B 376 -14.405 -2.554 -5.737 1.00 2.28 O ATOM 1651 OE2 GLU B 376 -12.916 -3.607 -4.539 1.00 2.06 O ATOM 0 H GLU B 376 -13.742 -2.510 -0.634 1.00 0.51 H new ATOM 0 HA GLU B 376 -12.509 -1.249 -2.971 1.00 0.63 H new ATOM 0 HB2 GLU B 376 -15.375 -1.300 -1.956 1.00 0.86 H new ATOM 0 HB3 GLU B 376 -14.844 -0.640 -3.490 1.00 0.86 H new ATOM 0 HG2 GLU B 376 -14.606 -3.560 -2.683 1.00 1.43 H new ATOM 0 HG3 GLU B 376 -15.888 -2.896 -3.676 1.00 1.43 H new ATOM 1658 N ASN B 377 -12.589 1.162 -2.243 1.00 0.54 N ATOM 1659 CA ASN B 377 -12.456 2.511 -1.713 1.00 0.58 C ATOM 1660 C ASN B 377 -13.500 3.444 -2.314 1.00 0.50 C ATOM 1661 O ASN B 377 -14.036 3.186 -3.389 1.00 0.65 O ATOM 1662 CB ASN B 377 -11.051 3.067 -1.957 1.00 0.83 C ATOM 1663 CG ASN B 377 -10.727 3.272 -3.423 1.00 0.88 C ATOM 1664 OD1 ASN B 377 -11.233 2.569 -4.296 1.00 1.83 O ATOM 1665 ND2 ASN B 377 -9.873 4.242 -3.698 1.00 1.23 N ATOM 0 H ASN B 377 -12.198 1.029 -3.176 1.00 0.54 H new ATOM 0 HA ASN B 377 -12.622 2.454 -0.637 1.00 0.58 H new ATOM 0 HB2 ASN B 377 -10.950 4.018 -1.434 1.00 0.83 H new ATOM 0 HB3 ASN B 377 -10.319 2.386 -1.523 1.00 0.83 H new ATOM 0 HD21 ASN B 377 -9.610 4.431 -4.665 1.00 1.23 H new ATOM 0 HD22 ASN B 377 -9.477 4.802 -2.943 1.00 1.23 H new ATOM 1672 N GLU B 378 -13.778 4.530 -1.606 1.00 0.43 N ATOM 1673 CA GLU B 378 -14.824 5.466 -2.001 1.00 0.51 C ATOM 1674 C GLU B 378 -14.268 6.657 -2.759 1.00 0.44 C ATOM 1675 O GLU B 378 -14.993 7.594 -3.095 1.00 0.53 O ATOM 1676 CB GLU B 378 -15.567 5.953 -0.763 1.00 0.71 C ATOM 1677 CG GLU B 378 -16.179 4.838 0.061 1.00 0.87 C ATOM 1678 CD GLU B 378 -17.400 4.234 -0.595 1.00 1.05 C ATOM 1679 OE1 GLU B 378 -17.237 3.376 -1.490 1.00 1.88 O ATOM 1680 OE2 GLU B 378 -18.525 4.610 -0.220 1.00 1.39 O ATOM 0 H GLU B 378 -13.290 4.787 -0.748 1.00 0.43 H new ATOM 0 HA GLU B 378 -15.505 4.937 -2.668 1.00 0.51 H new ATOM 0 HB2 GLU B 378 -14.878 6.519 -0.136 1.00 0.71 H new ATOM 0 HB3 GLU B 378 -16.356 6.640 -1.071 1.00 0.71 H new ATOM 0 HG2 GLU B 378 -15.434 4.059 0.221 1.00 0.87 H new ATOM 0 HG3 GLU B 378 -16.452 5.225 1.043 1.00 0.87 H new ATOM 1687 N ILE B 379 -12.987 6.613 -3.023 1.00 0.36 N ATOM 1688 CA ILE B 379 -12.330 7.682 -3.771 1.00 0.38 C ATOM 1689 C ILE B 379 -11.503 7.132 -4.941 1.00 0.48 C ATOM 1690 O ILE B 379 -10.302 6.905 -4.815 1.00 1.17 O ATOM 1691 CB ILE B 379 -11.425 8.581 -2.889 1.00 0.38 C ATOM 1692 CG1 ILE B 379 -10.378 7.755 -2.109 1.00 0.37 C ATOM 1693 CG2 ILE B 379 -12.272 9.418 -1.925 1.00 0.43 C ATOM 1694 CD1 ILE B 379 -9.503 8.583 -1.173 1.00 0.44 C ATOM 0 H ILE B 379 -12.369 5.854 -2.736 1.00 0.36 H new ATOM 0 HA ILE B 379 -13.142 8.299 -4.156 1.00 0.38 H new ATOM 0 HB ILE B 379 -10.884 9.251 -3.556 1.00 0.38 H new ATOM 0 HG12 ILE B 379 -10.894 6.992 -1.526 1.00 0.37 H new ATOM 0 HG13 ILE B 379 -9.738 7.234 -2.821 1.00 0.37 H new ATOM 0 HG21 ILE B 379 -11.619 10.042 -1.315 1.00 0.43 H new ATOM 0 HG22 ILE B 379 -12.952 10.052 -2.494 1.00 0.43 H new ATOM 0 HG23 ILE B 379 -12.849 8.756 -1.279 1.00 0.43 H new ATOM 0 HD11 ILE B 379 -8.795 7.929 -0.663 1.00 0.44 H new ATOM 0 HD12 ILE B 379 -8.957 9.329 -1.750 1.00 0.44 H new ATOM 0 HD13 ILE B 379 -10.131 9.083 -0.435 1.00 0.44 H new ATOM 1706 N TYR B 380 -12.146 6.890 -6.072 1.00 0.45 N ATOM 1707 CA TYR B 380 -11.432 6.469 -7.259 1.00 0.42 C ATOM 1708 C TYR B 380 -11.602 7.525 -8.342 1.00 0.46 C ATOM 1709 O TYR B 380 -12.722 7.970 -8.597 1.00 0.58 O ATOM 1710 CB TYR B 380 -11.961 5.114 -7.726 1.00 0.48 C ATOM 1711 CG TYR B 380 -11.173 4.503 -8.864 1.00 0.45 C ATOM 1712 CD1 TYR B 380 -9.860 4.095 -8.680 1.00 0.49 C ATOM 1713 CD2 TYR B 380 -11.750 4.318 -10.113 1.00 0.54 C ATOM 1714 CE1 TYR B 380 -9.141 3.520 -9.708 1.00 0.51 C ATOM 1715 CE2 TYR B 380 -11.035 3.746 -11.147 1.00 0.54 C ATOM 1716 CZ TYR B 380 -9.732 3.348 -10.938 1.00 0.47 C ATOM 1717 OH TYR B 380 -9.022 2.767 -11.961 1.00 0.52 O ATOM 0 H TYR B 380 -13.155 6.978 -6.190 1.00 0.45 H new ATOM 0 HA TYR B 380 -10.370 6.360 -7.039 1.00 0.42 H new ATOM 0 HB2 TYR B 380 -11.956 4.424 -6.883 1.00 0.48 H new ATOM 0 HB3 TYR B 380 -12.999 5.229 -8.037 1.00 0.48 H new ATOM 0 HD1 TYR B 380 -9.392 4.230 -7.716 1.00 0.49 H new ATOM 0 HD2 TYR B 380 -12.772 4.626 -10.278 1.00 0.54 H new ATOM 0 HE1 TYR B 380 -8.120 3.207 -9.548 1.00 0.51 H new ATOM 0 HE2 TYR B 380 -11.495 3.611 -12.115 1.00 0.54 H new ATOM 0 HH TYR B 380 -9.335 3.122 -12.819 1.00 0.52 H new ATOM 1727 N TYR B 381 -10.493 7.955 -8.937 1.00 0.55 N ATOM 1728 CA TYR B 381 -10.526 8.970 -9.973 1.00 0.70 C ATOM 1729 C TYR B 381 -11.377 8.523 -11.159 1.00 0.79 C ATOM 1730 O TYR B 381 -10.907 7.677 -11.947 1.00 1.31 O ATOM 1731 CB TYR B 381 -9.107 9.283 -10.440 1.00 1.01 C ATOM 1732 CG TYR B 381 -8.593 10.631 -10.010 1.00 1.28 C ATOM 1733 CD1 TYR B 381 -9.209 11.782 -10.462 1.00 1.66 C ATOM 1734 CD2 TYR B 381 -7.500 10.757 -9.158 1.00 1.73 C ATOM 1735 CE1 TYR B 381 -8.755 13.029 -10.082 1.00 2.20 C ATOM 1736 CE2 TYR B 381 -7.041 12.001 -8.774 1.00 2.35 C ATOM 1737 CZ TYR B 381 -7.622 13.100 -9.195 1.00 2.50 C ATOM 1738 OH TYR B 381 -7.220 14.376 -8.861 1.00 3.20 O ATOM 1739 OXT TYR B 381 -12.506 9.034 -11.306 1.00 1.47 O ATOM 0 H TYR B 381 -9.559 7.611 -8.715 1.00 0.55 H new ATOM 0 HA TYR B 381 -10.977 9.869 -9.552 1.00 0.70 H new ATOM 0 HB2 TYR B 381 -8.435 8.514 -10.060 1.00 1.01 H new ATOM 0 HB3 TYR B 381 -9.075 9.226 -11.528 1.00 1.01 H new ATOM 0 HD1 TYR B 381 -10.059 11.705 -11.123 1.00 1.66 H new ATOM 0 HD2 TYR B 381 -7.004 9.870 -8.792 1.00 1.73 H new ATOM 0 HE1 TYR B 381 -9.236 13.927 -10.440 1.00 2.20 H new ATOM 0 HE2 TYR B 381 -6.188 12.071 -8.115 1.00 2.35 H new ATOM 0 HH TYR B 381 -6.449 14.329 -8.258 1.00 3.20 H new