USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 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 72 HIS : no HE2:sc= -0.248 K(o=0.83,f=-1.4) USER MOD Set 1.2: B 116 THR OG1 : rot 90:sc= 1.08 USER MOD Set 2.1: A 26 SER OG : rot 180:sc= -2 USER MOD Set 2.2: A 41 HIS : no HD1:sc= -0.0931 K(o=-2.1,f=-2.8) USER MOD Set 2.3: A 43 LYS NZ :NH3+ 168:sc= -0.0103 (180deg=-0.165) USER MOD Set 3.1: A 28 SER OG : rot -170:sc= 0.384 USER MOD Set 3.2: A 40 SER OG : rot 74:sc= 0.412 USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= -1.81! (180deg=-1.88!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -55:sc= -4.33! USER MOD Single : A 29 SER OG : rot -160:sc= -0.503 USER MOD Single : A 33 GLN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 132:sc= 0.537 USER MOD Single : A 48 SER OG : rot -81:sc= -1.21 USER MOD Single : A 58 GLN : amide:sc= -4.15 K(o=-4.1,f=-13!) USER MOD Single : A 63 ASN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.3!) USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= -0.339 (180deg=-0.37) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 55:sc= 0.0583 USER MOD Single : A 86 THR OG1 : rot -73:sc= 1.47 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 10 -2.045 -1.967 -14.971 1.00 0.00 N ATOM 26 CA GLU A 10 -1.224 -1.289 -13.975 1.00 0.00 C ATOM 27 C GLU A 10 -1.598 0.188 -13.880 1.00 0.00 C ATOM 28 O GLU A 10 -1.667 0.887 -14.891 1.00 0.00 O ATOM 29 CB GLU A 10 0.261 -1.429 -14.325 1.00 0.00 C ATOM 30 CG GLU A 10 0.965 -2.531 -13.553 1.00 0.00 C ATOM 31 CD GLU A 10 2.120 -3.136 -14.327 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.116 -3.039 -15.573 1.00 0.00 O ATOM 33 OE2 GLU A 10 3.028 -3.709 -13.688 1.00 0.00 O ATOM 0 HA GLU A 10 -1.408 -1.757 -13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.357 -1.626 -15.393 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.763 -0.482 -14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.335 -2.130 -12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.247 -3.314 -13.307 1.00 0.00 H new ATOM 40 N LYS A 11 -1.839 0.657 -12.660 1.00 0.00 N ATOM 41 CA LYS A 11 -2.206 2.052 -12.442 1.00 0.00 C ATOM 42 C LYS A 11 -0.987 2.887 -12.054 1.00 0.00 C ATOM 43 O LYS A 11 -0.159 2.464 -11.247 1.00 0.00 O ATOM 44 CB LYS A 11 -3.287 2.159 -11.360 1.00 0.00 C ATOM 45 CG LYS A 11 -3.690 3.589 -11.038 1.00 0.00 C ATOM 46 CD LYS A 11 -5.075 3.652 -10.412 1.00 0.00 C ATOM 47 CE LYS A 11 -5.075 3.077 -9.005 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.582 1.677 -8.977 1.00 0.00 N ATOM 0 H LYS A 11 -1.787 0.095 -11.811 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.604 2.445 -13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.169 1.607 -11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.927 1.679 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.962 4.028 -10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.674 4.186 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.416 4.687 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.782 3.100 -11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.063 3.105 -8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.693 3.700 -8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.010 1.481 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.297 1.552 -9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.793 1.019 -9.140 1.00 0.00 H new ATOM 62 N LYS A 12 -0.881 4.077 -12.637 1.00 0.00 N ATOM 63 CA LYS A 12 0.237 4.969 -12.352 1.00 0.00 C ATOM 64 C LYS A 12 -0.174 6.057 -11.364 1.00 0.00 C ATOM 65 O LYS A 12 -1.246 6.645 -11.484 1.00 0.00 O ATOM 66 CB LYS A 12 0.751 5.607 -13.644 1.00 0.00 C ATOM 67 CG LYS A 12 2.244 5.890 -13.631 1.00 0.00 C ATOM 68 CD LYS A 12 2.792 6.057 -15.040 1.00 0.00 C ATOM 69 CE LYS A 12 4.288 6.322 -15.028 1.00 0.00 C ATOM 70 NZ LYS A 12 4.979 5.665 -16.172 1.00 0.00 N ATOM 0 H LYS A 12 -1.555 4.445 -13.309 1.00 0.00 H new ATOM 0 HA LYS A 12 1.036 4.378 -11.904 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.522 4.947 -14.481 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.214 6.540 -13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.439 6.794 -13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.766 5.074 -13.131 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.585 5.158 -15.621 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.279 6.881 -15.536 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.466 7.397 -15.065 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.713 5.961 -14.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.997 5.871 -16.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.831 4.637 -16.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.592 6.028 -17.066 1.00 0.00 H new ATOM 84 N VAL A 13 0.689 6.319 -10.385 1.00 0.00 N ATOM 85 CA VAL A 13 0.415 7.335 -9.377 1.00 0.00 C ATOM 86 C VAL A 13 1.680 8.104 -9.007 1.00 0.00 C ATOM 87 O VAL A 13 2.771 7.536 -8.958 1.00 0.00 O ATOM 88 CB VAL A 13 -0.190 6.710 -8.104 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.534 7.787 -7.085 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.415 5.879 -8.449 1.00 0.00 C ATOM 0 H VAL A 13 1.583 5.841 -10.270 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.307 8.027 -9.812 1.00 0.00 H new ATOM 0 HB VAL A 13 0.555 6.051 -7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.959 7.323 -6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.370 8.333 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.259 8.477 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.829 5.446 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.164 6.514 -8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.132 5.080 -9.135 1.00 0.00 H new ATOM 100 N PHE A 14 1.522 9.398 -8.747 1.00 0.00 N ATOM 101 CA PHE A 14 2.648 10.249 -8.379 1.00 0.00 C ATOM 102 C PHE A 14 2.346 11.020 -7.097 1.00 0.00 C ATOM 103 O PHE A 14 1.338 11.722 -7.008 1.00 0.00 O ATOM 104 CB PHE A 14 2.968 11.226 -9.512 1.00 0.00 C ATOM 105 CG PHE A 14 4.385 11.725 -9.493 1.00 0.00 C ATOM 106 CD1 PHE A 14 4.864 12.448 -8.412 1.00 0.00 C ATOM 107 CD2 PHE A 14 5.236 11.473 -10.557 1.00 0.00 C ATOM 108 CE1 PHE A 14 6.166 12.910 -8.393 1.00 0.00 C ATOM 109 CE2 PHE A 14 6.540 11.932 -10.544 1.00 0.00 C ATOM 110 CZ PHE A 14 7.006 12.651 -9.460 1.00 0.00 C ATOM 0 H PHE A 14 0.624 9.881 -8.784 1.00 0.00 H new ATOM 0 HA PHE A 14 3.514 9.611 -8.205 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.776 10.737 -10.467 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.291 12.078 -9.448 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.212 12.653 -7.575 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.876 10.911 -11.407 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.527 13.473 -7.545 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.193 11.729 -11.380 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.025 13.010 -9.446 1.00 0.00 H new ATOM 120 N ILE A 15 3.221 10.884 -6.107 1.00 0.00 N ATOM 121 CA ILE A 15 3.042 11.567 -4.831 1.00 0.00 C ATOM 122 C ILE A 15 4.174 12.557 -4.571 1.00 0.00 C ATOM 123 O ILE A 15 5.349 12.188 -4.578 1.00 0.00 O ATOM 124 CB ILE A 15 2.969 10.567 -3.661 1.00 0.00 C ATOM 125 CG1 ILE A 15 1.968 9.454 -3.977 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.586 11.282 -2.374 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.548 9.950 -4.149 1.00 0.00 C ATOM 0 H ILE A 15 4.061 10.308 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 15 2.098 12.108 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 15 3.953 10.118 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.279 8.944 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.992 8.716 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.539 10.561 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.332 12.042 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.612 11.755 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.107 9.108 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.218 10.434 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.510 10.666 -4.970 1.00 0.00 H new ATOM 139 N SER A 16 3.809 13.814 -4.339 1.00 0.00 N ATOM 140 CA SER A 16 4.789 14.861 -4.074 1.00 0.00 C ATOM 141 C SER A 16 4.551 15.493 -2.707 1.00 0.00 C ATOM 142 O SER A 16 3.572 16.213 -2.508 1.00 0.00 O ATOM 143 CB SER A 16 4.727 15.934 -5.163 1.00 0.00 C ATOM 144 OG SER A 16 5.835 16.814 -5.075 1.00 0.00 O ATOM 0 H SER A 16 2.840 14.132 -4.329 1.00 0.00 H new ATOM 0 HA SER A 16 5.780 14.407 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.712 15.460 -6.145 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.800 16.500 -5.068 1.00 0.00 H new ATOM 0 HG SER A 16 5.773 17.489 -5.782 1.00 0.00 H new ATOM 234 N LEU A 23 0.855 12.607 2.184 1.00 0.00 N ATOM 235 CA LEU A 23 0.165 11.733 1.249 1.00 0.00 C ATOM 236 C LEU A 23 -1.250 11.434 1.743 1.00 0.00 C ATOM 237 O LEU A 23 -2.161 11.208 0.945 1.00 0.00 O ATOM 238 CB LEU A 23 0.962 10.436 1.070 1.00 0.00 C ATOM 239 CG LEU A 23 0.179 9.255 0.498 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.197 9.517 -0.952 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.987 7.971 0.619 1.00 0.00 C ATOM 0 HA LEU A 23 0.087 12.234 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.809 10.639 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.370 10.144 2.038 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.739 9.138 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.754 8.666 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.815 10.413 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.708 9.660 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.414 7.140 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.922 8.076 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.205 7.776 1.669 1.00 0.00 H new ATOM 253 N GLY A 24 -1.423 11.436 3.059 1.00 0.00 N ATOM 254 CA GLY A 24 -2.725 11.167 3.640 1.00 0.00 C ATOM 255 C GLY A 24 -3.220 9.766 3.335 1.00 0.00 C ATOM 256 O GLY A 24 -4.345 9.586 2.870 1.00 0.00 O ATOM 0 H GLY A 24 -0.683 11.620 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.672 11.303 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.445 11.893 3.262 1.00 0.00 H new ATOM 260 N CYS A 25 -2.377 8.774 3.597 1.00 0.00 N ATOM 261 CA CYS A 25 -2.735 7.382 3.344 1.00 0.00 C ATOM 262 C CYS A 25 -1.827 6.438 4.124 1.00 0.00 C ATOM 263 O CYS A 25 -0.711 6.800 4.498 1.00 0.00 O ATOM 264 CB CYS A 25 -2.648 7.076 1.849 1.00 0.00 C ATOM 265 SG CYS A 25 -3.107 5.383 1.411 1.00 0.00 S ATOM 0 H CYS A 25 -1.442 8.906 3.984 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.761 7.228 3.679 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.296 7.767 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.629 7.264 1.510 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.384 4.547 2.095 1.00 0.00 H new ATOM 271 N SER A 26 -2.314 5.226 4.364 1.00 0.00 N ATOM 272 CA SER A 26 -1.548 4.226 5.099 1.00 0.00 C ATOM 273 C SER A 26 -1.208 3.046 4.196 1.00 0.00 C ATOM 274 O SER A 26 -1.667 2.974 3.056 1.00 0.00 O ATOM 275 CB SER A 26 -2.338 3.741 6.316 1.00 0.00 C ATOM 276 OG SER A 26 -1.979 4.462 7.480 1.00 0.00 O ATOM 0 H SER A 26 -3.236 4.912 4.060 1.00 0.00 H new ATOM 0 HA SER A 26 -0.620 4.686 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.406 3.856 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.154 2.678 6.472 1.00 0.00 H new ATOM 0 HG SER A 26 -2.500 4.133 8.242 1.00 0.00 H new ATOM 282 N ILE A 27 -0.398 2.127 4.705 1.00 0.00 N ATOM 283 CA ILE A 27 -0.002 0.955 3.936 1.00 0.00 C ATOM 284 C ILE A 27 0.073 -0.286 4.816 1.00 0.00 C ATOM 285 O ILE A 27 0.640 -0.255 5.908 1.00 0.00 O ATOM 286 CB ILE A 27 1.355 1.165 3.240 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.410 1.619 4.250 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.221 2.179 2.114 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.775 1.837 3.636 1.00 0.00 C ATOM 0 H ILE A 27 -0.003 2.170 5.645 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.769 0.808 3.175 1.00 0.00 H new ATOM 0 HB ILE A 27 1.676 0.215 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.078 2.546 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.490 0.873 5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.189 2.317 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.499 1.817 1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.879 3.131 2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.474 2.158 4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.127 0.906 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.709 2.605 2.865 1.00 0.00 H new ATOM 301 N SER A 28 -0.504 -1.378 4.329 1.00 0.00 N ATOM 302 CA SER A 28 -0.510 -2.638 5.061 1.00 0.00 C ATOM 303 C SER A 28 0.410 -3.654 4.394 1.00 0.00 C ATOM 304 O SER A 28 0.775 -3.500 3.229 1.00 0.00 O ATOM 305 CB SER A 28 -1.933 -3.197 5.149 1.00 0.00 C ATOM 306 OG SER A 28 -2.894 -2.195 4.867 1.00 0.00 O ATOM 0 H SER A 28 -0.976 -1.416 3.426 1.00 0.00 H new ATOM 0 HA SER A 28 -0.143 -2.447 6.069 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.047 -4.022 4.446 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.107 -3.601 6.146 1.00 0.00 H new ATOM 0 HG SER A 28 -3.789 -2.531 5.082 1.00 0.00 H new ATOM 312 N SER A 29 0.780 -4.691 5.136 1.00 0.00 N ATOM 313 CA SER A 29 1.657 -5.727 4.606 1.00 0.00 C ATOM 314 C SER A 29 0.860 -6.989 4.294 1.00 0.00 C ATOM 315 O SER A 29 -0.110 -7.309 4.979 1.00 0.00 O ATOM 316 CB SER A 29 2.774 -6.042 5.605 1.00 0.00 C ATOM 317 OG SER A 29 4.048 -5.951 4.993 1.00 0.00 O ATOM 0 H SER A 29 0.488 -4.836 6.102 1.00 0.00 H new ATOM 0 HA SER A 29 2.106 -5.360 3.683 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.721 -5.349 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.632 -7.044 6.009 1.00 0.00 H new ATOM 0 HG SER A 29 4.703 -6.447 5.527 1.00 0.00 H new ATOM 323 N GLY A 30 1.266 -7.694 3.243 1.00 0.00 N ATOM 324 CA GLY A 30 0.567 -8.902 2.850 1.00 0.00 C ATOM 325 C GLY A 30 1.094 -10.144 3.542 1.00 0.00 C ATOM 326 O GLY A 30 2.216 -10.153 4.047 1.00 0.00 O ATOM 0 H GLY A 30 2.065 -7.450 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.494 -8.790 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.653 -9.030 1.771 1.00 0.00 H new ATOM 330 N PRO A 31 0.292 -11.221 3.574 1.00 0.00 N ATOM 331 CA PRO A 31 0.682 -12.484 4.209 1.00 0.00 C ATOM 332 C PRO A 31 1.754 -13.221 3.413 1.00 0.00 C ATOM 333 O PRO A 31 2.439 -12.628 2.579 1.00 0.00 O ATOM 334 CB PRO A 31 -0.623 -13.283 4.230 1.00 0.00 C ATOM 335 CG PRO A 31 -1.411 -12.749 3.086 1.00 0.00 C ATOM 336 CD PRO A 31 -1.060 -11.290 2.991 1.00 0.00 C ATOM 0 HA PRO A 31 1.118 -12.333 5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.435 -14.351 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.154 -13.150 5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.162 -13.272 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.480 -12.884 3.251 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.070 -10.942 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.767 -10.671 3.543 1.00 0.00 H new ATOM 344 N ILE A 32 1.892 -14.517 3.671 1.00 0.00 N ATOM 345 CA ILE A 32 2.879 -15.333 2.976 1.00 0.00 C ATOM 346 C ILE A 32 2.397 -15.706 1.579 1.00 0.00 C ATOM 347 O ILE A 32 3.199 -15.894 0.664 1.00 0.00 O ATOM 348 CB ILE A 32 3.196 -16.622 3.760 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.541 -16.292 5.215 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.339 -17.379 3.099 1.00 0.00 C ATOM 351 CD1 ILE A 32 2.947 -17.262 6.212 1.00 0.00 C ATOM 0 H ILE A 32 1.332 -15.024 4.356 1.00 0.00 H new ATOM 0 HA ILE A 32 3.786 -14.734 2.897 1.00 0.00 H new ATOM 0 HB ILE A 32 2.311 -17.258 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.625 -16.284 5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.188 -15.286 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.550 -18.286 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.058 -17.644 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.228 -16.749 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.233 -16.967 7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.861 -17.253 6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.319 -18.266 6.009 1.00 0.00 H new ATOM 363 N GLN A 33 1.082 -15.812 1.420 1.00 0.00 N ATOM 364 CA GLN A 33 0.494 -16.161 0.133 1.00 0.00 C ATOM 365 C GLN A 33 0.746 -15.066 -0.897 1.00 0.00 C ATOM 366 O GLN A 33 0.882 -15.340 -2.090 1.00 0.00 O ATOM 367 CB GLN A 33 -1.010 -16.399 0.283 1.00 0.00 C ATOM 368 CG GLN A 33 -1.353 -17.541 1.227 1.00 0.00 C ATOM 369 CD GLN A 33 -2.256 -17.106 2.366 1.00 0.00 C ATOM 370 OE1 GLN A 33 -3.481 -17.169 2.260 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.653 -16.659 3.462 1.00 0.00 N ATOM 0 H GLN A 33 0.404 -15.661 2.167 1.00 0.00 H new ATOM 0 HA GLN A 33 0.968 -17.078 -0.216 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.480 -15.485 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.436 -16.609 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.841 -18.337 0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.433 -17.958 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.635 -16.624 3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.208 -16.350 4.260 1.00 0.00 H new ATOM 380 N LYS A 34 0.810 -13.822 -0.429 1.00 0.00 N ATOM 381 CA LYS A 34 1.047 -12.686 -1.312 1.00 0.00 C ATOM 382 C LYS A 34 1.665 -11.518 -0.545 1.00 0.00 C ATOM 383 O LYS A 34 0.995 -10.525 -0.262 1.00 0.00 O ATOM 384 CB LYS A 34 -0.262 -12.244 -1.971 1.00 0.00 C ATOM 385 CG LYS A 34 -0.465 -12.818 -3.364 1.00 0.00 C ATOM 386 CD LYS A 34 -1.935 -13.082 -3.646 1.00 0.00 C ATOM 387 CE LYS A 34 -2.453 -14.264 -2.842 1.00 0.00 C ATOM 388 NZ LYS A 34 -3.882 -14.092 -2.460 1.00 0.00 N ATOM 0 H LYS A 34 0.701 -13.576 0.555 1.00 0.00 H new ATOM 0 HA LYS A 34 1.748 -12.999 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.097 -12.544 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.281 -11.156 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.069 -12.125 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.098 -13.746 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.518 -12.193 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.074 -13.275 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.341 -15.177 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.849 -14.384 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.197 -14.919 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.986 -13.234 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.462 -14.003 -3.318 1.00 0.00 H new ATOM 402 N PRO A 35 2.960 -11.622 -0.198 1.00 0.00 N ATOM 403 CA PRO A 35 3.667 -10.570 0.537 1.00 0.00 C ATOM 404 C PRO A 35 3.967 -9.356 -0.335 1.00 0.00 C ATOM 405 O PRO A 35 4.566 -9.479 -1.404 1.00 0.00 O ATOM 406 CB PRO A 35 4.965 -11.253 0.967 1.00 0.00 C ATOM 407 CG PRO A 35 5.198 -12.300 -0.066 1.00 0.00 C ATOM 408 CD PRO A 35 3.836 -12.772 -0.498 1.00 0.00 C ATOM 0 HA PRO A 35 3.076 -10.184 1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.792 -10.544 1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.872 -11.690 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.756 -11.896 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.785 -13.124 0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.817 -13.025 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.529 -13.664 0.048 1.00 0.00 H new ATOM 416 N GLY A 36 3.547 -8.182 0.126 1.00 0.00 N ATOM 417 CA GLY A 36 3.781 -6.964 -0.624 1.00 0.00 C ATOM 418 C GLY A 36 3.263 -5.734 0.093 1.00 0.00 C ATOM 419 O GLY A 36 2.730 -5.830 1.199 1.00 0.00 O ATOM 0 H GLY A 36 3.048 -8.054 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.850 -6.852 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.299 -7.043 -1.599 1.00 0.00 H new ATOM 423 N ILE A 37 3.418 -4.573 -0.535 1.00 0.00 N ATOM 424 CA ILE A 37 2.962 -3.320 0.053 1.00 0.00 C ATOM 425 C ILE A 37 1.545 -2.986 -0.398 1.00 0.00 C ATOM 426 O ILE A 37 1.290 -2.780 -1.585 1.00 0.00 O ATOM 427 CB ILE A 37 3.899 -2.154 -0.314 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.357 -2.536 -0.043 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.521 -0.903 0.466 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.601 -3.035 1.365 1.00 0.00 C ATOM 0 H ILE A 37 3.856 -4.474 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 37 2.972 -3.454 1.135 1.00 0.00 H new ATOM 0 HB ILE A 37 3.790 -1.942 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.659 -3.308 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.991 -1.669 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.193 -0.088 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.495 -0.622 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.604 -1.102 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.655 -3.287 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.331 -2.257 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.993 -3.921 1.547 1.00 0.00 H new ATOM 442 N PHE A 38 0.624 -2.938 0.560 1.00 0.00 N ATOM 443 CA PHE A 38 -0.771 -2.634 0.267 1.00 0.00 C ATOM 444 C PHE A 38 -1.138 -1.235 0.749 1.00 0.00 C ATOM 445 O PHE A 38 -0.364 -0.587 1.454 1.00 0.00 O ATOM 446 CB PHE A 38 -1.688 -3.668 0.924 1.00 0.00 C ATOM 447 CG PHE A 38 -1.372 -5.086 0.534 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.153 -5.655 0.868 1.00 0.00 C ATOM 449 CD2 PHE A 38 -2.294 -5.847 -0.166 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.139 -6.958 0.509 1.00 0.00 C ATOM 451 CE2 PHE A 38 -2.007 -7.150 -0.527 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.788 -7.706 -0.188 1.00 0.00 C ATOM 0 H PHE A 38 0.820 -3.106 1.547 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.905 -2.672 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.612 -3.572 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.721 -3.448 0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.576 -5.075 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.248 -5.417 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.093 -7.390 0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.734 -7.733 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.561 -8.724 -0.468 1.00 0.00 H new ATOM 462 N ILE A 39 -2.322 -0.776 0.361 1.00 0.00 N ATOM 463 CA ILE A 39 -2.795 0.547 0.748 1.00 0.00 C ATOM 464 C ILE A 39 -3.910 0.449 1.788 1.00 0.00 C ATOM 465 O ILE A 39 -4.883 -0.284 1.606 1.00 0.00 O ATOM 466 CB ILE A 39 -3.301 1.337 -0.480 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.120 1.767 -1.355 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.117 2.552 -0.053 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.229 2.801 -0.702 1.00 0.00 C ATOM 0 H ILE A 39 -2.973 -1.302 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.950 1.078 1.186 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.951 0.683 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.523 0.889 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.501 2.168 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.460 3.089 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.978 2.225 0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.497 3.212 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.414 3.058 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.812 3.695 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.819 2.396 0.223 1.00 0.00 H new ATOM 481 N SER A 40 -3.758 1.198 2.872 1.00 0.00 N ATOM 482 CA SER A 40 -4.744 1.211 3.945 1.00 0.00 C ATOM 483 C SER A 40 -5.678 2.409 3.800 1.00 0.00 C ATOM 484 O SER A 40 -5.670 3.094 2.777 1.00 0.00 O ATOM 485 CB SER A 40 -4.047 1.249 5.308 1.00 0.00 C ATOM 486 OG SER A 40 -4.400 0.122 6.092 1.00 0.00 O ATOM 0 H SER A 40 -2.956 1.808 3.032 1.00 0.00 H new ATOM 0 HA SER A 40 -5.336 0.298 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.966 1.274 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.321 2.163 5.835 1.00 0.00 H new ATOM 0 HG SER A 40 -3.944 -0.673 5.746 1.00 0.00 H new ATOM 492 N HIS A 41 -6.484 2.654 4.828 1.00 0.00 N ATOM 493 CA HIS A 41 -7.430 3.767 4.817 1.00 0.00 C ATOM 494 C HIS A 41 -6.766 5.057 4.338 1.00 0.00 C ATOM 495 O HIS A 41 -5.613 5.336 4.671 1.00 0.00 O ATOM 496 CB HIS A 41 -8.019 3.975 6.214 1.00 0.00 C ATOM 497 CG HIS A 41 -6.993 3.975 7.303 1.00 0.00 C ATOM 498 ND1 HIS A 41 -6.131 5.029 7.525 1.00 0.00 N ATOM 499 CD2 HIS A 41 -6.691 3.041 8.236 1.00 0.00 C ATOM 500 CE1 HIS A 41 -5.345 4.745 8.549 1.00 0.00 C ATOM 501 NE2 HIS A 41 -5.665 3.545 8.998 1.00 0.00 N ATOM 0 H HIS A 41 -6.502 2.096 5.682 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.230 3.517 4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.558 4.922 6.234 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -8.748 3.189 6.413 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.168 2.080 8.358 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -4.573 5.385 8.950 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -5.222 3.069 9.784 1.00 0.00 H new ATOM 510 N VAL A 42 -7.504 5.839 3.556 1.00 0.00 N ATOM 511 CA VAL A 42 -6.994 7.099 3.030 1.00 0.00 C ATOM 512 C VAL A 42 -7.682 8.285 3.699 1.00 0.00 C ATOM 513 O VAL A 42 -8.780 8.152 4.240 1.00 0.00 O ATOM 514 CB VAL A 42 -7.197 7.196 1.504 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.425 8.379 0.938 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.774 5.902 0.826 1.00 0.00 C ATOM 0 H VAL A 42 -8.459 5.621 3.273 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.926 7.127 3.247 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.257 7.354 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.580 8.432 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.779 9.300 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.363 8.253 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.924 5.989 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.721 5.711 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.374 5.077 1.211 1.00 0.00 H new ATOM 526 N LYS A 43 -7.029 9.443 3.666 1.00 0.00 N ATOM 527 CA LYS A 43 -7.585 10.647 4.276 1.00 0.00 C ATOM 528 C LYS A 43 -7.754 11.760 3.243 1.00 0.00 C ATOM 529 O LYS A 43 -6.949 11.889 2.322 1.00 0.00 O ATOM 530 CB LYS A 43 -6.680 11.127 5.413 1.00 0.00 C ATOM 531 CG LYS A 43 -6.242 10.017 6.354 1.00 0.00 C ATOM 532 CD LYS A 43 -4.964 10.383 7.089 1.00 0.00 C ATOM 533 CE LYS A 43 -4.671 9.406 8.217 1.00 0.00 C ATOM 534 NZ LYS A 43 -4.690 7.994 7.746 1.00 0.00 N ATOM 0 H LYS A 43 -6.118 9.573 3.225 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.568 10.399 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.795 11.600 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.205 11.891 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.034 9.817 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.087 9.098 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.129 10.392 6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.051 11.392 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.696 9.632 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.408 9.535 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.291 7.377 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.670 7.707 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.122 7.910 6.879 1.00 0.00 H new ATOM 548 N PRO A 44 -8.810 12.583 3.383 1.00 0.00 N ATOM 549 CA PRO A 44 -9.079 13.689 2.457 1.00 0.00 C ATOM 550 C PRO A 44 -8.014 14.778 2.537 1.00 0.00 C ATOM 551 O PRO A 44 -7.130 14.734 3.392 1.00 0.00 O ATOM 552 CB PRO A 44 -10.437 14.241 2.919 1.00 0.00 C ATOM 553 CG PRO A 44 -11.002 13.203 3.830 1.00 0.00 C ATOM 554 CD PRO A 44 -9.824 12.507 4.447 1.00 0.00 C ATOM 0 HA PRO A 44 -9.077 13.353 1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.318 15.193 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.097 14.419 2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.632 13.657 4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.626 12.499 3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.492 13.004 5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.056 11.476 4.712 1.00 0.00 H new ATOM 562 N GLY A 45 -8.105 15.756 1.639 1.00 0.00 N ATOM 563 CA GLY A 45 -7.145 16.847 1.625 1.00 0.00 C ATOM 564 C GLY A 45 -5.708 16.364 1.643 1.00 0.00 C ATOM 565 O GLY A 45 -4.872 16.906 2.365 1.00 0.00 O ATOM 0 H GLY A 45 -8.827 15.812 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.308 17.457 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.319 17.489 2.488 1.00 0.00 H new ATOM 569 N SER A 46 -5.422 15.339 0.848 1.00 0.00 N ATOM 570 CA SER A 46 -4.079 14.776 0.775 1.00 0.00 C ATOM 571 C SER A 46 -3.686 14.494 -0.669 1.00 0.00 C ATOM 572 O SER A 46 -4.419 14.828 -1.600 1.00 0.00 O ATOM 573 CB SER A 46 -4.001 13.489 1.593 1.00 0.00 C ATOM 574 OG SER A 46 -4.996 13.461 2.601 1.00 0.00 O ATOM 0 H SER A 46 -6.104 14.880 0.244 1.00 0.00 H new ATOM 0 HA SER A 46 -3.383 15.506 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.122 12.629 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.015 13.404 2.049 1.00 0.00 H new ATOM 0 HG SER A 46 -5.458 12.597 2.581 1.00 0.00 H new ATOM 580 N LEU A 47 -2.528 13.867 -0.849 1.00 0.00 N ATOM 581 CA LEU A 47 -2.043 13.531 -2.180 1.00 0.00 C ATOM 582 C LEU A 47 -2.636 12.206 -2.644 1.00 0.00 C ATOM 583 O LEU A 47 -2.929 12.024 -3.827 1.00 0.00 O ATOM 584 CB LEU A 47 -0.516 13.452 -2.188 1.00 0.00 C ATOM 585 CG LEU A 47 0.197 14.663 -1.583 1.00 0.00 C ATOM 586 CD1 LEU A 47 1.700 14.445 -1.572 1.00 0.00 C ATOM 587 CD2 LEU A 47 -0.155 15.927 -2.351 1.00 0.00 C ATOM 0 H LEU A 47 -1.909 13.582 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.357 14.316 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.210 12.559 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.179 13.327 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.140 14.782 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.191 15.316 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.935 13.562 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.054 14.300 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.361 16.778 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.153 15.818 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.232 16.092 -2.307 1.00 0.00 H new ATOM 599 N SER A 48 -2.819 11.285 -1.701 1.00 0.00 N ATOM 600 CA SER A 48 -3.385 9.978 -2.007 1.00 0.00 C ATOM 601 C SER A 48 -4.745 10.128 -2.679 1.00 0.00 C ATOM 602 O SER A 48 -5.065 9.414 -3.630 1.00 0.00 O ATOM 603 CB SER A 48 -3.524 9.148 -0.730 1.00 0.00 C ATOM 604 OG SER A 48 -4.165 9.891 0.294 1.00 0.00 O ATOM 0 H SER A 48 -2.583 11.422 -0.718 1.00 0.00 H new ATOM 0 HA SER A 48 -2.711 9.464 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.096 8.244 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.538 8.830 -0.390 1.00 0.00 H new ATOM 0 HG SER A 48 -3.513 10.481 0.727 1.00 0.00 H new ATOM 610 N ALA A 49 -5.540 11.068 -2.179 1.00 0.00 N ATOM 611 CA ALA A 49 -6.863 11.324 -2.731 1.00 0.00 C ATOM 612 C ALA A 49 -6.757 12.019 -4.082 1.00 0.00 C ATOM 613 O ALA A 49 -7.502 11.713 -5.014 1.00 0.00 O ATOM 614 CB ALA A 49 -7.683 12.170 -1.767 1.00 0.00 C ATOM 0 H ALA A 49 -5.290 11.665 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.366 10.367 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.670 12.354 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.789 11.642 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.178 13.121 -1.598 1.00 0.00 H new ATOM 620 N GLU A 50 -5.819 12.957 -4.179 1.00 0.00 N ATOM 621 CA GLU A 50 -5.605 13.699 -5.413 1.00 0.00 C ATOM 622 C GLU A 50 -5.243 12.758 -6.556 1.00 0.00 C ATOM 623 O GLU A 50 -5.694 12.934 -7.687 1.00 0.00 O ATOM 624 CB GLU A 50 -4.496 14.736 -5.218 1.00 0.00 C ATOM 625 CG GLU A 50 -5.004 16.088 -4.743 1.00 0.00 C ATOM 626 CD GLU A 50 -5.972 16.723 -5.720 1.00 0.00 C ATOM 627 OE1 GLU A 50 -5.702 16.678 -6.938 1.00 0.00 O ATOM 628 OE2 GLU A 50 -7.003 17.266 -5.267 1.00 0.00 O ATOM 0 H GLU A 50 -5.195 13.220 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.533 14.211 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.775 14.354 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.963 14.868 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.495 15.969 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.157 16.757 -4.590 1.00 0.00 H new ATOM 635 N VAL A 51 -4.427 11.754 -6.250 1.00 0.00 N ATOM 636 CA VAL A 51 -4.004 10.780 -7.249 1.00 0.00 C ATOM 637 C VAL A 51 -5.081 9.722 -7.473 1.00 0.00 C ATOM 638 O VAL A 51 -5.209 9.173 -8.568 1.00 0.00 O ATOM 639 CB VAL A 51 -2.691 10.085 -6.839 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.560 11.096 -6.731 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.868 9.330 -5.528 1.00 0.00 C ATOM 0 H VAL A 51 -4.046 11.594 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.838 11.329 -8.176 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.430 9.364 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.642 10.585 -6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.415 11.584 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.812 11.845 -5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.929 8.847 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.157 10.028 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.645 8.574 -5.645 1.00 0.00 H new ATOM 651 N GLY A 52 -5.852 9.440 -6.427 1.00 0.00 N ATOM 652 CA GLY A 52 -6.906 8.447 -6.529 1.00 0.00 C ATOM 653 C GLY A 52 -6.523 7.128 -5.889 1.00 0.00 C ATOM 654 O GLY A 52 -6.413 6.109 -6.568 1.00 0.00 O ATOM 0 H GLY A 52 -5.766 9.881 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.809 8.830 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.145 8.282 -7.580 1.00 0.00 H new ATOM 658 N LEU A 53 -6.317 7.148 -4.575 1.00 0.00 N ATOM 659 CA LEU A 53 -5.942 5.945 -3.841 1.00 0.00 C ATOM 660 C LEU A 53 -7.097 5.449 -2.978 1.00 0.00 C ATOM 661 O LEU A 53 -8.060 6.176 -2.734 1.00 0.00 O ATOM 662 CB LEU A 53 -4.717 6.217 -2.966 1.00 0.00 C ATOM 663 CG LEU A 53 -3.371 6.075 -3.676 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.244 6.585 -2.791 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.127 4.625 -4.069 1.00 0.00 C ATOM 0 H LEU A 53 -6.404 7.984 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.697 5.170 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.794 7.227 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.737 5.534 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.395 6.679 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.293 6.476 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.412 7.637 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.218 6.008 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.164 4.542 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.123 4.001 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.918 4.292 -4.740 1.00 0.00 H new ATOM 677 N GLU A 54 -6.993 4.206 -2.517 1.00 0.00 N ATOM 678 CA GLU A 54 -8.028 3.609 -1.682 1.00 0.00 C ATOM 679 C GLU A 54 -7.569 2.260 -1.136 1.00 0.00 C ATOM 680 O GLU A 54 -6.623 1.661 -1.649 1.00 0.00 O ATOM 681 CB GLU A 54 -9.321 3.438 -2.481 1.00 0.00 C ATOM 682 CG GLU A 54 -10.338 4.542 -2.237 1.00 0.00 C ATOM 683 CD GLU A 54 -10.907 5.108 -3.523 1.00 0.00 C ATOM 684 OE1 GLU A 54 -10.168 5.151 -4.529 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.090 5.505 -3.525 1.00 0.00 O ATOM 0 H GLU A 54 -6.201 3.593 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.217 4.277 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.080 3.406 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.771 2.478 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.152 4.152 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.868 5.344 -1.668 1.00 0.00 H new ATOM 692 N ILE A 55 -8.247 1.783 -0.097 1.00 0.00 N ATOM 693 CA ILE A 55 -7.907 0.501 0.512 1.00 0.00 C ATOM 694 C ILE A 55 -8.026 -0.630 -0.504 1.00 0.00 C ATOM 695 O ILE A 55 -8.946 -0.649 -1.322 1.00 0.00 O ATOM 696 CB ILE A 55 -8.812 0.188 1.722 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.755 1.331 2.739 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.401 -1.126 2.372 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.888 1.306 3.739 1.00 0.00 C ATOM 0 H ILE A 55 -9.033 2.263 0.340 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.876 0.577 0.856 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.839 0.089 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.807 1.283 3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.772 2.282 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.051 -1.330 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.490 -1.934 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.368 -1.056 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.784 2.144 4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.839 1.385 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.859 0.371 4.298 1.00 0.00 H new ATOM 711 N GLY A 56 -7.089 -1.570 -0.448 1.00 0.00 N ATOM 712 CA GLY A 56 -7.108 -2.690 -1.369 1.00 0.00 C ATOM 713 C GLY A 56 -5.994 -2.615 -2.395 1.00 0.00 C ATOM 714 O GLY A 56 -5.405 -3.631 -2.755 1.00 0.00 O ATOM 0 H GLY A 56 -6.317 -1.576 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.019 -3.620 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.069 -2.718 -1.882 1.00 0.00 H new ATOM 718 N ASP A 57 -5.704 -1.405 -2.864 1.00 0.00 N ATOM 719 CA ASP A 57 -4.650 -1.202 -3.853 1.00 0.00 C ATOM 720 C ASP A 57 -3.324 -1.773 -3.356 1.00 0.00 C ATOM 721 O ASP A 57 -3.121 -1.933 -2.153 1.00 0.00 O ATOM 722 CB ASP A 57 -4.499 0.289 -4.160 1.00 0.00 C ATOM 723 CG ASP A 57 -5.632 0.822 -5.015 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.671 0.137 -5.119 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.479 1.924 -5.580 1.00 0.00 O ATOM 0 H ASP A 57 -6.183 -0.552 -2.576 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.929 -1.727 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.460 0.847 -3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.551 0.457 -4.672 1.00 0.00 H new ATOM 730 N GLN A 58 -2.426 -2.079 -4.287 1.00 0.00 N ATOM 731 CA GLN A 58 -1.123 -2.635 -3.935 1.00 0.00 C ATOM 732 C GLN A 58 -0.013 -2.012 -4.776 1.00 0.00 C ATOM 733 O GLN A 58 0.032 -2.191 -5.994 1.00 0.00 O ATOM 734 CB GLN A 58 -1.133 -4.155 -4.119 1.00 0.00 C ATOM 735 CG GLN A 58 -0.833 -4.926 -2.844 1.00 0.00 C ATOM 736 CD GLN A 58 0.572 -5.493 -2.821 1.00 0.00 C ATOM 737 OE1 GLN A 58 1.311 -5.316 -1.853 1.00 0.00 O ATOM 738 NE2 GLN A 58 0.950 -6.182 -3.893 1.00 0.00 N ATOM 0 H GLN A 58 -2.575 -1.952 -5.288 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.926 -2.402 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.109 -4.460 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.399 -4.425 -4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.969 -4.268 -1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.551 -5.740 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.305 -6.305 -4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.885 -6.588 -3.935 1.00 0.00 H new ATOM 747 N ILE A 59 0.884 -1.284 -4.119 1.00 0.00 N ATOM 748 CA ILE A 59 1.997 -0.638 -4.804 1.00 0.00 C ATOM 749 C ILE A 59 2.994 -1.673 -5.317 1.00 0.00 C ATOM 750 O ILE A 59 3.543 -2.455 -4.541 1.00 0.00 O ATOM 751 CB ILE A 59 2.731 0.350 -3.875 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.733 1.297 -3.205 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.775 1.140 -4.652 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.129 1.693 -1.798 1.00 0.00 C ATOM 0 H ILE A 59 0.861 -1.127 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 59 1.578 -0.088 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 59 3.240 -0.222 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.633 2.196 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.753 0.820 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.282 1.832 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.503 0.454 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.288 1.701 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.377 2.365 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.201 0.801 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.094 2.199 -1.820 1.00 0.00 H new ATOM 766 N VAL A 60 3.218 -1.677 -6.627 1.00 0.00 N ATOM 767 CA VAL A 60 4.142 -2.624 -7.240 1.00 0.00 C ATOM 768 C VAL A 60 5.414 -1.939 -7.735 1.00 0.00 C ATOM 769 O VAL A 60 6.221 -2.551 -8.435 1.00 0.00 O ATOM 770 CB VAL A 60 3.482 -3.367 -8.417 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.305 -4.199 -7.932 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.041 -2.385 -9.491 1.00 0.00 C ATOM 0 H VAL A 60 2.773 -1.036 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 60 4.409 -3.340 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 60 4.219 -4.041 -8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.852 -4.716 -8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.653 -4.931 -7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.566 -3.547 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.577 -2.929 -10.314 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.322 -1.683 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.908 -1.837 -9.861 1.00 0.00 H new ATOM 782 N GLU A 61 5.594 -0.671 -7.375 1.00 0.00 N ATOM 783 CA GLU A 61 6.776 0.075 -7.793 1.00 0.00 C ATOM 784 C GLU A 61 6.817 1.457 -7.148 1.00 0.00 C ATOM 785 O GLU A 61 5.778 2.077 -6.917 1.00 0.00 O ATOM 786 CB GLU A 61 6.805 0.209 -9.318 1.00 0.00 C ATOM 787 CG GLU A 61 8.184 -0.014 -9.921 1.00 0.00 C ATOM 788 CD GLU A 61 8.261 -1.284 -10.746 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.260 -1.623 -11.411 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.324 -1.941 -10.726 1.00 0.00 O ATOM 0 H GLU A 61 4.940 -0.142 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 61 7.655 -0.479 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.108 -0.508 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.453 1.203 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.445 0.839 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.923 -0.059 -9.121 1.00 0.00 H new ATOM 797 N VAL A 62 8.025 1.933 -6.862 1.00 0.00 N ATOM 798 CA VAL A 62 8.210 3.242 -6.246 1.00 0.00 C ATOM 799 C VAL A 62 9.548 3.852 -6.653 1.00 0.00 C ATOM 800 O VAL A 62 10.605 3.416 -6.193 1.00 0.00 O ATOM 801 CB VAL A 62 8.140 3.158 -4.708 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.299 4.536 -4.082 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.833 2.515 -4.269 1.00 0.00 C ATOM 0 H VAL A 62 8.893 1.430 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 62 7.399 3.878 -6.601 1.00 0.00 H new ATOM 0 HB VAL A 62 8.964 2.534 -4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.246 4.451 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.264 4.956 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.501 5.190 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.800 2.464 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.995 3.112 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.766 1.508 -4.682 1.00 0.00 H new ATOM 813 N ASN A 63 9.497 4.861 -7.518 1.00 0.00 N ATOM 814 CA ASN A 63 10.706 5.529 -7.984 1.00 0.00 C ATOM 815 C ASN A 63 11.650 4.541 -8.663 1.00 0.00 C ATOM 816 O ASN A 63 12.869 4.703 -8.620 1.00 0.00 O ATOM 817 CB ASN A 63 11.419 6.213 -6.816 1.00 0.00 C ATOM 818 CG ASN A 63 12.081 7.515 -7.222 1.00 0.00 C ATOM 819 OD1 ASN A 63 13.304 7.599 -7.324 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.270 8.541 -7.458 1.00 0.00 N ATOM 0 H ASN A 63 8.632 5.233 -7.910 1.00 0.00 H new ATOM 0 HA ASN A 63 10.414 6.283 -8.715 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.701 6.407 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.172 5.538 -6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.656 9.443 -7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.261 8.426 -7.361 1.00 0.00 H new ATOM 827 N GLY A 64 11.076 3.518 -9.287 1.00 0.00 N ATOM 828 CA GLY A 64 11.880 2.518 -9.964 1.00 0.00 C ATOM 829 C GLY A 64 12.133 1.296 -9.103 1.00 0.00 C ATOM 830 O GLY A 64 12.310 0.192 -9.618 1.00 0.00 O ATOM 0 H GLY A 64 10.069 3.364 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.378 2.214 -10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.834 2.959 -10.253 1.00 0.00 H new ATOM 834 N VAL A 65 12.146 1.494 -7.789 1.00 0.00 N ATOM 835 CA VAL A 65 12.379 0.399 -6.853 1.00 0.00 C ATOM 836 C VAL A 65 11.312 -0.681 -6.997 1.00 0.00 C ATOM 837 O VAL A 65 10.115 -0.392 -6.989 1.00 0.00 O ATOM 838 CB VAL A 65 12.393 0.899 -5.397 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.833 -0.210 -4.455 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.295 2.116 -5.258 1.00 0.00 C ATOM 0 H VAL A 65 11.998 2.402 -7.348 1.00 0.00 H new ATOM 0 HA VAL A 65 13.355 -0.022 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 65 11.380 1.194 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.837 0.163 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.142 -1.049 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.836 -0.540 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.292 2.455 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.311 1.851 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.929 2.916 -5.902 1.00 0.00 H new ATOM 850 N ASP A 66 11.754 -1.927 -7.129 1.00 0.00 N ATOM 851 CA ASP A 66 10.836 -3.052 -7.274 1.00 0.00 C ATOM 852 C ASP A 66 10.115 -3.339 -5.961 1.00 0.00 C ATOM 853 O ASP A 66 10.712 -3.857 -5.015 1.00 0.00 O ATOM 854 CB ASP A 66 11.593 -4.297 -7.739 1.00 0.00 C ATOM 855 CG ASP A 66 12.066 -4.185 -9.175 1.00 0.00 C ATOM 856 OD1 ASP A 66 11.218 -4.274 -10.088 1.00 0.00 O ATOM 857 OD2 ASP A 66 13.283 -4.007 -9.386 1.00 0.00 O ATOM 0 H ASP A 66 12.741 -2.184 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 66 10.091 -2.788 -8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.452 -4.460 -7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.947 -5.169 -7.639 1.00 0.00 H new ATOM 862 N PHE A 67 8.833 -3.001 -5.910 1.00 0.00 N ATOM 863 CA PHE A 67 8.029 -3.224 -4.712 1.00 0.00 C ATOM 864 C PHE A 67 7.513 -4.661 -4.647 1.00 0.00 C ATOM 865 O PHE A 67 6.815 -5.034 -3.704 1.00 0.00 O ATOM 866 CB PHE A 67 6.854 -2.243 -4.676 1.00 0.00 C ATOM 867 CG PHE A 67 7.006 -1.162 -3.646 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.216 -0.504 -3.485 1.00 0.00 C ATOM 869 CD2 PHE A 67 5.941 -0.801 -2.837 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.359 0.492 -2.537 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.077 0.194 -1.888 1.00 0.00 C ATOM 872 CZ PHE A 67 7.288 0.841 -1.738 1.00 0.00 C ATOM 0 H PHE A 67 8.326 -2.571 -6.684 1.00 0.00 H new ATOM 0 HA PHE A 67 8.667 -3.055 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.744 -1.784 -5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.936 -2.796 -4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.057 -0.773 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.992 -1.304 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.307 0.996 -2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.238 0.465 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.397 1.619 -0.997 1.00 0.00 H new ATOM 882 N SER A 68 7.857 -5.467 -5.649 1.00 0.00 N ATOM 883 CA SER A 68 7.423 -6.859 -5.693 1.00 0.00 C ATOM 884 C SER A 68 7.940 -7.627 -4.482 1.00 0.00 C ATOM 885 O SER A 68 7.167 -8.251 -3.754 1.00 0.00 O ATOM 886 CB SER A 68 7.909 -7.526 -6.981 1.00 0.00 C ATOM 887 OG SER A 68 7.112 -8.653 -7.304 1.00 0.00 O ATOM 0 H SER A 68 8.434 -5.180 -6.439 1.00 0.00 H new ATOM 0 HA SER A 68 6.333 -6.875 -5.673 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.878 -6.808 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.949 -7.833 -6.865 1.00 0.00 H new ATOM 0 HG SER A 68 7.442 -9.060 -8.132 1.00 0.00 H new ATOM 893 N ASN A 69 9.251 -7.581 -4.272 1.00 0.00 N ATOM 894 CA ASN A 69 9.871 -8.273 -3.149 1.00 0.00 C ATOM 895 C ASN A 69 10.352 -7.280 -2.095 1.00 0.00 C ATOM 896 O ASN A 69 11.364 -7.506 -1.432 1.00 0.00 O ATOM 897 CB ASN A 69 11.044 -9.128 -3.634 1.00 0.00 C ATOM 898 CG ASN A 69 10.613 -10.526 -4.030 1.00 0.00 C ATOM 899 OD1 ASN A 69 10.682 -10.901 -5.201 1.00 0.00 O ATOM 900 ND2 ASN A 69 10.164 -11.307 -3.054 1.00 0.00 N ATOM 0 H ASN A 69 9.905 -7.071 -4.866 1.00 0.00 H new ATOM 0 HA ASN A 69 9.121 -8.921 -2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.517 -8.641 -4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.795 -9.191 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.859 -12.258 -3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.124 -10.956 -2.097 1.00 0.00 H new ATOM 907 N LEU A 70 9.617 -6.183 -1.944 1.00 0.00 N ATOM 908 CA LEU A 70 9.968 -5.157 -0.969 1.00 0.00 C ATOM 909 C LEU A 70 9.252 -5.399 0.356 1.00 0.00 C ATOM 910 O LEU A 70 8.137 -5.921 0.383 1.00 0.00 O ATOM 911 CB LEU A 70 9.614 -3.769 -1.508 1.00 0.00 C ATOM 912 CG LEU A 70 10.150 -2.596 -0.679 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.340 -1.951 -1.372 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.055 -1.570 -0.435 1.00 0.00 C ATOM 0 H LEU A 70 8.775 -5.982 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 70 11.043 -5.208 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.998 -3.682 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.529 -3.685 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 70 10.481 -2.981 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.706 -1.121 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.133 -2.688 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.034 -1.581 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.454 -0.745 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.692 -1.191 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.232 -2.038 0.106 1.00 0.00 H new ATOM 926 N ASP A 71 9.900 -5.018 1.452 1.00 0.00 N ATOM 927 CA ASP A 71 9.323 -5.197 2.780 1.00 0.00 C ATOM 928 C ASP A 71 8.493 -3.984 3.183 1.00 0.00 C ATOM 929 O ASP A 71 8.513 -2.952 2.511 1.00 0.00 O ATOM 930 CB ASP A 71 10.428 -5.439 3.810 1.00 0.00 C ATOM 931 CG ASP A 71 10.027 -6.456 4.861 1.00 0.00 C ATOM 932 OD1 ASP A 71 8.810 -6.620 5.095 1.00 0.00 O ATOM 933 OD2 ASP A 71 10.928 -7.088 5.451 1.00 0.00 O ATOM 0 H ASP A 71 10.823 -4.584 1.447 1.00 0.00 H new ATOM 0 HA ASP A 71 8.667 -6.067 2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.327 -5.784 3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.679 -4.497 4.297 1.00 0.00 H new ATOM 938 N HIS A 72 7.763 -4.114 4.286 1.00 0.00 N ATOM 939 CA HIS A 72 6.926 -3.028 4.784 1.00 0.00 C ATOM 940 C HIS A 72 7.773 -1.817 5.164 1.00 0.00 C ATOM 941 O HIS A 72 7.518 -0.702 4.710 1.00 0.00 O ATOM 942 CB HIS A 72 6.114 -3.498 5.992 1.00 0.00 C ATOM 943 CG HIS A 72 5.024 -2.552 6.388 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.013 -2.892 7.263 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.787 -1.268 6.024 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.203 -1.859 7.420 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.651 -0.863 6.679 1.00 0.00 N ATOM 0 H HIS A 72 7.734 -4.962 4.853 1.00 0.00 H new ATOM 0 HA HIS A 72 6.243 -2.733 3.987 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.676 -4.470 5.768 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.786 -3.639 6.838 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.907 -3.799 7.718 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.381 -0.674 5.345 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.324 -1.834 8.048 1.00 0.00 H new ATOM 956 N LYS A 73 8.778 -2.045 6.002 1.00 0.00 N ATOM 957 CA LYS A 73 9.663 -0.974 6.447 1.00 0.00 C ATOM 958 C LYS A 73 10.330 -0.288 5.258 1.00 0.00 C ATOM 959 O LYS A 73 10.516 0.928 5.254 1.00 0.00 O ATOM 960 CB LYS A 73 10.728 -1.525 7.397 1.00 0.00 C ATOM 961 CG LYS A 73 10.199 -1.839 8.787 1.00 0.00 C ATOM 962 CD LYS A 73 11.128 -2.779 9.537 1.00 0.00 C ATOM 963 CE LYS A 73 10.425 -3.434 10.716 1.00 0.00 C ATOM 964 NZ LYS A 73 9.896 -4.781 10.367 1.00 0.00 N ATOM 0 H LYS A 73 9.001 -2.963 6.387 1.00 0.00 H new ATOM 0 HA LYS A 73 9.061 -0.236 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.154 -2.431 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.538 -0.801 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.083 -0.914 9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.210 -2.290 8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.495 -3.548 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.998 -2.226 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.121 -3.522 11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.606 -2.797 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.424 -5.194 11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.213 -4.694 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.681 -5.397 10.073 1.00 0.00 H new ATOM 978 N GLU A 74 10.691 -1.077 4.251 1.00 0.00 N ATOM 979 CA GLU A 74 11.338 -0.545 3.057 1.00 0.00 C ATOM 980 C GLU A 74 10.398 0.383 2.295 1.00 0.00 C ATOM 981 O GLU A 74 10.824 1.398 1.744 1.00 0.00 O ATOM 982 CB GLU A 74 11.792 -1.689 2.148 1.00 0.00 C ATOM 983 CG GLU A 74 13.186 -2.203 2.468 1.00 0.00 C ATOM 984 CD GLU A 74 13.870 -2.822 1.264 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.876 -2.181 0.192 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.400 -3.945 1.394 1.00 0.00 O ATOM 0 H GLU A 74 10.547 -2.087 4.238 1.00 0.00 H new ATOM 0 HA GLU A 74 12.209 0.030 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.082 -2.512 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.767 -1.351 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.795 -1.381 2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.122 -2.943 3.265 1.00 0.00 H new ATOM 993 N ALA A 75 9.118 0.027 2.265 1.00 0.00 N ATOM 994 CA ALA A 75 8.117 0.827 1.569 1.00 0.00 C ATOM 995 C ALA A 75 7.906 2.170 2.260 1.00 0.00 C ATOM 996 O ALA A 75 7.788 3.205 1.606 1.00 0.00 O ATOM 997 CB ALA A 75 6.804 0.067 1.480 1.00 0.00 C ATOM 0 H ALA A 75 8.749 -0.811 2.715 1.00 0.00 H new ATOM 0 HA ALA A 75 8.482 1.021 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.066 0.676 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.958 -0.863 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.445 -0.157 2.484 1.00 0.00 H new ATOM 1003 N VAL A 76 7.856 2.144 3.588 1.00 0.00 N ATOM 1004 CA VAL A 76 7.657 3.360 4.366 1.00 0.00 C ATOM 1005 C VAL A 76 8.894 4.252 4.320 1.00 0.00 C ATOM 1006 O VAL A 76 8.792 5.458 4.104 1.00 0.00 O ATOM 1007 CB VAL A 76 7.325 3.038 5.837 1.00 0.00 C ATOM 1008 CG1 VAL A 76 6.978 4.308 6.598 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.187 2.032 5.920 1.00 0.00 C ATOM 0 H VAL A 76 7.950 1.296 4.146 1.00 0.00 H new ATOM 0 HA VAL A 76 6.815 3.887 3.918 1.00 0.00 H new ATOM 0 HB VAL A 76 8.207 2.595 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.747 4.060 7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.826 4.992 6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.112 4.783 6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.967 1.817 6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.300 2.446 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.478 1.111 5.414 1.00 0.00 H new ATOM 1019 N ASN A 77 10.060 3.649 4.526 1.00 0.00 N ATOM 1020 CA ASN A 77 11.319 4.388 4.509 1.00 0.00 C ATOM 1021 C ASN A 77 11.487 5.159 3.203 1.00 0.00 C ATOM 1022 O ASN A 77 11.679 6.374 3.209 1.00 0.00 O ATOM 1023 CB ASN A 77 12.497 3.433 4.709 1.00 0.00 C ATOM 1024 CG ASN A 77 13.503 3.958 5.715 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.438 5.117 6.128 1.00 0.00 O ATOM 1026 ND2 ASN A 77 14.439 3.108 6.116 1.00 0.00 N ATOM 0 H ASN A 77 10.160 2.650 4.707 1.00 0.00 H new ATOM 0 HA ASN A 77 11.298 5.106 5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.124 2.465 5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.995 3.269 3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.142 3.406 6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.456 2.157 5.748 1.00 0.00 H new ATOM 1033 N VAL A 78 11.415 4.444 2.085 1.00 0.00 N ATOM 1034 CA VAL A 78 11.561 5.064 0.773 1.00 0.00 C ATOM 1035 C VAL A 78 10.514 6.152 0.557 1.00 0.00 C ATOM 1036 O VAL A 78 10.829 7.245 0.086 1.00 0.00 O ATOM 1037 CB VAL A 78 11.448 4.020 -0.353 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.572 3.001 -0.247 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.093 3.332 -0.314 1.00 0.00 C ATOM 0 H VAL A 78 11.257 3.437 2.061 1.00 0.00 H new ATOM 0 HA VAL A 78 12.553 5.514 0.742 1.00 0.00 H new ATOM 0 HB VAL A 78 11.539 4.534 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.478 2.270 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.533 3.509 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.512 2.492 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.034 2.598 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.967 2.830 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.305 4.074 -0.441 1.00 0.00 H new ATOM 1049 N LEU A 79 9.268 5.846 0.907 1.00 0.00 N ATOM 1050 CA LEU A 79 8.176 6.800 0.754 1.00 0.00 C ATOM 1051 C LEU A 79 8.382 8.007 1.665 1.00 0.00 C ATOM 1052 O LEU A 79 7.970 9.121 1.340 1.00 0.00 O ATOM 1053 CB LEU A 79 6.836 6.129 1.066 1.00 0.00 C ATOM 1054 CG LEU A 79 6.073 5.596 -0.151 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.509 6.744 -0.972 1.00 0.00 C ATOM 1056 CD2 LEU A 79 6.976 4.720 -1.007 1.00 0.00 C ATOM 0 H LEU A 79 8.990 4.946 1.298 1.00 0.00 H new ATOM 0 HA LEU A 79 8.166 7.145 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.014 5.302 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.202 6.846 1.587 1.00 0.00 H new ATOM 0 HG LEU A 79 5.242 4.987 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.970 6.346 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.827 7.331 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.325 7.380 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.416 4.351 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.828 5.305 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.331 3.876 -0.416 1.00 0.00 H new ATOM 1068 N LYS A 80 9.024 7.778 2.806 1.00 0.00 N ATOM 1069 CA LYS A 80 9.288 8.844 3.766 1.00 0.00 C ATOM 1070 C LYS A 80 10.535 9.632 3.373 1.00 0.00 C ATOM 1071 O LYS A 80 10.643 10.825 3.655 1.00 0.00 O ATOM 1072 CB LYS A 80 9.461 8.262 5.172 1.00 0.00 C ATOM 1073 CG LYS A 80 8.216 8.375 6.037 1.00 0.00 C ATOM 1074 CD LYS A 80 7.011 7.736 5.367 1.00 0.00 C ATOM 1075 CE LYS A 80 5.796 7.744 6.282 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.319 9.127 6.558 1.00 0.00 N ATOM 0 H LYS A 80 9.372 6.862 3.089 1.00 0.00 H new ATOM 0 HA LYS A 80 8.434 9.522 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.741 7.212 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.285 8.774 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.396 7.895 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.006 9.425 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.778 8.272 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.250 6.710 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.992 7.167 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.046 7.252 7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.441 9.087 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.045 9.644 7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.137 9.617 5.659 1.00 0.00 H new ATOM 1090 N SER A 81 11.475 8.954 2.724 1.00 0.00 N ATOM 1091 CA SER A 81 12.718 9.586 2.295 1.00 0.00 C ATOM 1092 C SER A 81 12.464 10.606 1.189 1.00 0.00 C ATOM 1093 O SER A 81 12.649 11.807 1.385 1.00 0.00 O ATOM 1094 CB SER A 81 13.711 8.527 1.808 1.00 0.00 C ATOM 1095 OG SER A 81 15.035 8.854 2.192 1.00 0.00 O ATOM 0 H SER A 81 11.400 7.966 2.483 1.00 0.00 H new ATOM 0 HA SER A 81 13.142 10.109 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.440 7.554 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.654 8.443 0.723 1.00 0.00 H new ATOM 0 HG SER A 81 15.649 8.161 1.871 1.00 0.00 H new ATOM 1101 N SER A 82 12.047 10.118 0.025 1.00 0.00 N ATOM 1102 CA SER A 82 11.775 10.989 -1.113 1.00 0.00 C ATOM 1103 C SER A 82 10.358 11.553 -1.046 1.00 0.00 C ATOM 1104 O SER A 82 9.430 10.878 -0.604 1.00 0.00 O ATOM 1105 CB SER A 82 11.969 10.224 -2.424 1.00 0.00 C ATOM 1106 OG SER A 82 13.291 10.373 -2.910 1.00 0.00 O ATOM 0 H SER A 82 11.890 9.126 -0.155 1.00 0.00 H new ATOM 0 HA SER A 82 12.478 11.821 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.753 9.167 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.261 10.587 -3.169 1.00 0.00 H new ATOM 0 HG SER A 82 13.390 9.874 -3.747 1.00 0.00 H new ATOM 1112 N ARG A 83 10.201 12.795 -1.495 1.00 0.00 N ATOM 1113 CA ARG A 83 8.898 13.451 -1.493 1.00 0.00 C ATOM 1114 C ARG A 83 8.187 13.243 -2.825 1.00 0.00 C ATOM 1115 O ARG A 83 7.079 12.709 -2.871 1.00 0.00 O ATOM 1116 CB ARG A 83 9.057 14.948 -1.214 1.00 0.00 C ATOM 1117 CG ARG A 83 10.053 15.259 -0.107 1.00 0.00 C ATOM 1118 CD ARG A 83 9.524 16.330 0.834 1.00 0.00 C ATOM 1119 NE ARG A 83 10.596 16.962 1.602 1.00 0.00 N ATOM 1120 CZ ARG A 83 10.424 18.036 2.369 1.00 0.00 C ATOM 1121 NH1 ARG A 83 9.227 18.600 2.473 1.00 0.00 N ATOM 1122 NH2 ARG A 83 11.451 18.545 3.033 1.00 0.00 N ATOM 0 H ARG A 83 10.960 13.367 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 83 8.294 13.005 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.376 15.448 -2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.086 15.364 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.267 14.351 0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.994 15.591 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.994 17.089 0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.801 15.886 1.518 1.00 0.00 H new ATOM 0 HE ARG A 83 11.530 16.556 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.434 18.210 1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.100 19.423 3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.372 18.114 2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.321 19.368 3.621 1.00 0.00 H new ATOM 1136 N SER A 84 8.834 13.664 -3.907 1.00 0.00 N ATOM 1137 CA SER A 84 8.266 13.517 -5.242 1.00 0.00 C ATOM 1138 C SER A 84 8.677 12.184 -5.857 1.00 0.00 C ATOM 1139 O SER A 84 9.574 12.126 -6.698 1.00 0.00 O ATOM 1140 CB SER A 84 8.718 14.670 -6.143 1.00 0.00 C ATOM 1141 OG SER A 84 10.104 14.922 -5.990 1.00 0.00 O ATOM 0 H SER A 84 9.751 14.109 -3.885 1.00 0.00 H new ATOM 0 HA SER A 84 7.180 13.541 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.501 14.429 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.152 15.569 -5.900 1.00 0.00 H new ATOM 0 HG SER A 84 10.607 14.097 -6.153 1.00 0.00 H new ATOM 1147 N LEU A 85 8.019 11.114 -5.423 1.00 0.00 N ATOM 1148 CA LEU A 85 8.322 9.777 -5.922 1.00 0.00 C ATOM 1149 C LEU A 85 7.163 9.221 -6.744 1.00 0.00 C ATOM 1150 O LEU A 85 5.999 9.380 -6.381 1.00 0.00 O ATOM 1151 CB LEU A 85 8.633 8.826 -4.758 1.00 0.00 C ATOM 1152 CG LEU A 85 8.133 9.284 -3.385 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.619 9.161 -3.300 1.00 0.00 C ATOM 1154 CD2 LEU A 85 8.800 8.478 -2.281 1.00 0.00 C ATOM 0 H LEU A 85 7.273 11.146 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 85 9.198 9.854 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.195 7.853 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.713 8.685 -4.704 1.00 0.00 H new ATOM 0 HG LEU A 85 8.398 10.333 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.282 9.491 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.160 9.782 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.329 8.121 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.434 8.816 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.565 7.421 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.880 8.618 -2.330 1.00 0.00 H new ATOM 1166 N THR A 86 7.496 8.558 -7.847 1.00 0.00 N ATOM 1167 CA THR A 86 6.487 7.964 -8.714 1.00 0.00 C ATOM 1168 C THR A 86 6.243 6.514 -8.317 1.00 0.00 C ATOM 1169 O THR A 86 7.146 5.681 -8.390 1.00 0.00 O ATOM 1170 CB THR A 86 6.924 8.044 -10.177 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.649 9.237 -10.419 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.765 8.004 -11.151 1.00 0.00 C ATOM 0 H THR A 86 8.457 8.419 -8.161 1.00 0.00 H new ATOM 0 HA THR A 86 5.558 8.523 -8.599 1.00 0.00 H new ATOM 0 HB THR A 86 7.546 7.164 -10.342 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.033 9.999 -10.425 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.145 8.065 -12.171 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.215 7.072 -11.023 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.100 8.847 -10.961 1.00 0.00 H new ATOM 1180 N ILE A 87 5.023 6.220 -7.885 1.00 0.00 N ATOM 1181 CA ILE A 87 4.671 4.872 -7.462 1.00 0.00 C ATOM 1182 C ILE A 87 3.694 4.214 -8.431 1.00 0.00 C ATOM 1183 O ILE A 87 2.647 4.776 -8.752 1.00 0.00 O ATOM 1184 CB ILE A 87 4.054 4.877 -6.049 1.00 0.00 C ATOM 1185 CG1 ILE A 87 2.778 5.727 -6.029 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.067 5.393 -5.035 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.226 5.969 -4.640 1.00 0.00 C ATOM 0 H ILE A 87 4.262 6.896 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 87 5.596 4.296 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 87 3.787 3.856 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.985 6.688 -6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.015 5.235 -6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.620 5.392 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.946 4.748 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.361 6.409 -5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.324 6.577 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.985 5.014 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.971 6.490 -4.038 1.00 0.00 H new ATOM 1199 N SER A 88 4.045 3.018 -8.889 1.00 0.00 N ATOM 1200 CA SER A 88 3.200 2.275 -9.815 1.00 0.00 C ATOM 1201 C SER A 88 2.351 1.256 -9.062 1.00 0.00 C ATOM 1202 O SER A 88 2.846 0.208 -8.645 1.00 0.00 O ATOM 1203 CB SER A 88 4.055 1.569 -10.869 1.00 0.00 C ATOM 1204 OG SER A 88 3.450 1.640 -12.149 1.00 0.00 O ATOM 0 H SER A 88 4.910 2.542 -8.634 1.00 0.00 H new ATOM 0 HA SER A 88 2.537 2.981 -10.316 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.044 2.026 -10.905 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.196 0.525 -10.588 1.00 0.00 H new ATOM 0 HG SER A 88 4.017 1.183 -12.805 1.00 0.00 H new ATOM 1210 N ILE A 89 1.076 1.575 -8.885 1.00 0.00 N ATOM 1211 CA ILE A 89 0.156 0.693 -8.176 1.00 0.00 C ATOM 1212 C ILE A 89 -0.786 -0.008 -9.150 1.00 0.00 C ATOM 1213 O ILE A 89 -1.101 0.520 -10.213 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.672 1.480 -7.138 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.639 0.548 -6.394 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.421 2.622 -7.811 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.976 0.362 -7.082 1.00 0.00 C ATOM 0 H ILE A 89 0.654 2.440 -9.223 1.00 0.00 H new ATOM 0 HA ILE A 89 0.755 -0.057 -7.659 1.00 0.00 H new ATOM 0 HB ILE A 89 0.010 1.908 -6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.166 -0.427 -6.274 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.810 0.945 -5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.000 3.167 -7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.707 3.298 -8.281 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.093 2.220 -8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.599 -0.310 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.473 1.327 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.819 -0.065 -8.072 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.236 -1.200 -8.777 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.148 -1.964 -9.618 1.00 0.00 C ATOM 1231 C VAL A 90 -3.409 -2.335 -8.849 1.00 0.00 C ATOM 1232 O VAL A 90 -3.359 -3.094 -7.881 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.483 -3.244 -10.155 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.397 -3.948 -11.146 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.140 -2.921 -10.791 1.00 0.00 C ATOM 0 H VAL A 90 -0.985 -1.657 -7.900 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.413 -1.329 -10.463 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.309 -3.919 -9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.909 -4.850 -11.514 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.331 -4.217 -10.652 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.607 -3.282 -11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.315 -3.838 -11.165 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.287 -2.225 -11.617 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.515 -2.468 -10.047 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.537 -1.783 -9.279 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.817 -2.039 -8.628 1.00 0.00 C ATOM 1247 C ALA A 91 -6.118 -3.533 -8.554 1.00 0.00 C ATOM 1248 O ALA A 91 -5.917 -4.265 -9.523 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.934 -1.313 -9.363 1.00 0.00 C ATOM 0 H ALA A 91 -4.592 -1.153 -10.079 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.755 -1.661 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.885 -1.512 -8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.738 -0.241 -9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.981 -1.666 -10.393 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.609 -3.974 -7.393 1.00 0.00 N ATOM 1256 CA ALA A 92 -6.957 -5.379 -7.167 1.00 0.00 C ATOM 1257 C ALA A 92 -5.747 -6.213 -6.744 1.00 0.00 C ATOM 1258 O ALA A 92 -5.903 -7.281 -6.154 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.608 -5.981 -8.403 1.00 0.00 C ATOM 0 H ALA A 92 -6.776 -3.371 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.673 -5.400 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.857 -7.025 -8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.517 -5.429 -8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.917 -5.922 -9.244 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.545 -5.724 -7.036 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.326 -6.438 -6.671 1.00 0.00 C ATOM 1267 C ALA A 93 -3.260 -6.672 -5.162 1.00 0.00 C ATOM 1268 O ALA A 93 -2.548 -7.559 -4.690 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.104 -5.663 -7.142 1.00 0.00 C ATOM 0 H ALA A 93 -4.390 -4.841 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.338 -7.411 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.200 -6.205 -6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.141 -5.549 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.095 -4.679 -6.674 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.007 -5.867 -4.414 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.033 -5.984 -2.968 1.00 0.00 C ATOM 1277 C GLY A 94 -5.405 -6.356 -2.440 1.00 0.00 C ATOM 1278 O GLY A 94 -5.522 -6.994 -1.393 1.00 0.00 O ATOM 0 H GLY A 94 -4.601 -5.128 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.310 -6.737 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.721 -5.039 -2.525 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.449 -5.936 -3.153 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.822 -6.209 -2.738 1.00 0.00 C ATOM 1284 C ARG A 95 -8.047 -7.704 -2.543 1.00 0.00 C ATOM 1285 O ARG A 95 -8.795 -8.114 -1.655 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.809 -5.674 -3.778 1.00 0.00 C ATOM 1287 CG ARG A 95 -8.787 -4.162 -3.927 1.00 0.00 C ATOM 1288 CD ARG A 95 -9.593 -3.709 -5.134 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.017 -3.992 -4.979 1.00 0.00 N ATOM 1290 CZ ARG A 95 -11.814 -3.344 -4.132 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.330 -2.377 -3.362 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -13.099 -3.665 -4.053 1.00 0.00 N ATOM 0 H ARG A 95 -6.369 -5.406 -4.021 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.990 -5.704 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.586 -6.128 -4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.816 -5.988 -3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.190 -3.701 -3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.757 -3.820 -4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.450 -2.639 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.219 -4.209 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.425 -4.729 -5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.343 -2.127 -3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.945 -1.884 -2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.476 -4.408 -4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.710 -3.169 -3.404 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.388 -8.516 -3.362 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.518 -9.964 -3.252 1.00 0.00 C ATOM 1308 C GLU A 96 -7.206 -10.412 -1.827 1.00 0.00 C ATOM 1309 O GLU A 96 -7.838 -11.323 -1.294 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.578 -10.661 -4.239 1.00 0.00 C ATOM 1311 CG GLU A 96 -6.790 -12.164 -4.323 1.00 0.00 C ATOM 1312 CD GLU A 96 -6.525 -12.713 -5.711 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -5.339 -12.893 -6.063 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -7.503 -12.964 -6.446 1.00 0.00 O ATOM 0 H GLU A 96 -6.763 -8.200 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.544 -10.240 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.717 -10.227 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.547 -10.464 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.133 -12.660 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.814 -12.400 -4.032 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.228 -9.749 -1.215 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.826 -10.055 0.153 1.00 0.00 C ATOM 1323 C LEU A 97 -6.893 -9.601 1.146 1.00 0.00 C ATOM 1324 O LEU A 97 -7.381 -10.391 1.955 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.495 -9.375 0.479 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.247 -10.156 0.065 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -3.166 -11.470 0.825 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.247 -10.406 -1.435 1.00 0.00 C ATOM 0 H LEU A 97 -5.698 -8.993 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.707 -11.135 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.473 -8.401 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.451 -9.194 1.553 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.369 -9.560 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.272 -12.013 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.119 -11.269 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.049 -12.071 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.352 -10.963 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.131 -10.982 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.258 -9.452 -1.963 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.246 -8.319 1.078 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.253 -7.745 1.968 1.00 0.00 C ATOM 1342 C PHE A 98 -9.527 -8.584 1.972 1.00 0.00 C ATOM 1343 O PHE A 98 -10.234 -8.652 2.978 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.576 -6.312 1.545 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.628 -5.290 2.106 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -7.786 -4.816 3.399 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.579 -4.806 1.342 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -6.915 -3.877 3.918 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -5.705 -3.867 1.855 1.00 0.00 C ATOM 1350 CZ PHE A 98 -5.873 -3.402 3.146 1.00 0.00 C ATOM 0 H PHE A 98 -6.848 -7.656 0.413 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.844 -7.739 2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.560 -6.251 0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.590 -6.068 1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.599 -5.185 4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.443 -5.167 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.049 -3.515 4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.892 -3.497 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.191 -2.669 3.550 1.00 0.00 H new ATOM 1454 N ILE B 115 0.811 -1.957 10.041 1.00 0.00 N ATOM 1455 CA ILE B 115 0.281 -0.864 9.236 1.00 0.00 C ATOM 1456 C ILE B 115 0.961 0.455 9.591 1.00 0.00 C ATOM 1457 O ILE B 115 1.059 0.819 10.762 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.240 -0.711 9.425 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -1.935 -2.064 9.273 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.800 0.294 8.429 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.429 -2.005 9.502 1.00 0.00 C ATOM 0 HA ILE B 115 0.485 -1.109 8.194 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.429 -0.339 10.432 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -1.744 -2.451 8.272 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.495 -2.770 9.977 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -2.876 0.391 8.576 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.324 1.263 8.583 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.602 -0.050 7.414 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -3.856 -3.000 9.378 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.628 -1.648 10.512 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -3.881 -1.324 8.781 1.00 0.00 H new ATOM 1473 N THR B 116 1.430 1.165 8.570 1.00 0.00 N ATOM 1474 CA THR B 116 2.103 2.445 8.775 1.00 0.00 C ATOM 1475 C THR B 116 1.300 3.587 8.158 1.00 0.00 C ATOM 1476 O THR B 116 0.580 3.396 7.179 1.00 0.00 O ATOM 1477 CB THR B 116 3.506 2.407 8.170 1.00 0.00 C ATOM 1478 OG1 THR B 116 4.219 1.271 8.627 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.334 3.630 8.504 1.00 0.00 C ATOM 0 H THR B 116 1.357 0.878 7.594 1.00 0.00 H new ATOM 0 HA THR B 116 2.182 2.620 9.848 1.00 0.00 H new ATOM 0 HB THR B 116 3.354 2.372 7.091 1.00 0.00 H new ATOM 0 HG1 THR B 116 4.066 0.521 8.015 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.318 3.540 8.044 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.836 4.522 8.123 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.445 3.710 9.585 1.00 0.00 H new ATOM 1487 N GLU B 117 1.433 4.775 8.738 1.00 0.00 N ATOM 1488 CA GLU B 117 0.721 5.949 8.248 1.00 0.00 C ATOM 1489 C GLU B 117 1.658 6.869 7.472 1.00 0.00 C ATOM 1490 O GLU B 117 2.706 7.275 7.978 1.00 0.00 O ATOM 1491 CB GLU B 117 0.088 6.712 9.413 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.288 6.194 9.802 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.945 7.035 10.879 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -1.211 7.651 11.680 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -3.193 7.077 10.921 1.00 0.00 O ATOM 0 H GLU B 117 2.027 4.950 9.548 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.066 5.610 7.575 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.748 6.651 10.278 1.00 0.00 H new ATOM 0 HB3 GLU B 117 0.009 7.766 9.146 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.928 6.176 8.920 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.199 5.166 10.153 1.00 0.00 H new ATOM 1502 N LEU B 118 1.276 7.196 6.242 1.00 0.00 N ATOM 1503 CA LEU B 118 2.082 8.069 5.397 1.00 0.00 C ATOM 1504 C LEU B 118 1.406 9.424 5.210 1.00 0.00 C ATOM 1505 O LEU B 118 1.939 10.249 4.438 1.00 0.00 O ATOM 1506 CB LEU B 118 2.324 7.414 4.035 1.00 0.00 C ATOM 1507 CG LEU B 118 2.868 5.983 4.091 1.00 0.00 C ATOM 1508 CD1 LEU B 118 1.910 5.016 3.413 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.246 5.909 3.448 1.00 0.00 C ATOM 1510 OXT LEU B 118 0.348 9.646 5.837 1.00 0.00 O ATOM 0 H LEU B 118 0.413 6.869 5.808 1.00 0.00 H new ATOM 0 HA LEU B 118 3.040 8.228 5.892 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.386 7.408 3.480 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.024 8.031 3.472 1.00 0.00 H new ATOM 0 HG LEU B 118 2.961 5.694 5.138 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.316 4.006 3.464 1.00 0.00 H new ATOM 0 HD12 LEU B 118 0.945 5.045 3.919 1.00 0.00 H new ATOM 0 HD13 LEU B 118 1.782 5.303 2.369 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.616 4.885 3.497 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.178 6.221 2.406 1.00 0.00 H new ATOM 0 HD23 LEU B 118 4.932 6.569 3.980 1.00 0.00 H new