USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 811 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 89 THR OG1 : rot 132:sc= 0.39 USER MOD Set 1.2: A 91 ASN : amide:sc= 0.323 X(o=0.71,f=0.41) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -34:sc= 0.314 USER MOD Single : A 5 MET CE :methyl -124:sc= -1.23 (180deg=-3.87!) USER MOD Single : A 6 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.02) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.121) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.5) USER MOD Single : A 61 SER OG : rot 130:sc= -0.284 USER MOD Single : A 64 ASN :FLIP amide:sc= 0.582 F(o=0,f=0.58) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -101:sc= 0.058 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.56) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.057 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -164:sc= -0.204 (180deg=-0.878) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.34) USER MOD Single : A 101 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0601 K(o=-0.06,f=-1.7!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N SER A 4 7.413 -14.135 -3.537 1.00 4.23 N ATOM 30 CA SER A 4 7.527 -12.830 -2.896 1.00 34.33 C ATOM 31 C SER A 4 6.286 -11.983 -3.165 1.00 25.13 C ATOM 32 O SER A 4 5.461 -12.323 -4.013 1.00 23.24 O ATOM 33 CB SER A 4 8.775 -12.099 -3.394 1.00 73.43 C ATOM 34 OG SER A 4 8.912 -12.225 -4.799 1.00 42.21 O ATOM 0 HA SER A 4 7.613 -12.988 -1.821 1.00 34.33 H new ATOM 0 HB2 SER A 4 8.715 -11.045 -3.124 1.00 73.43 H new ATOM 0 HB3 SER A 4 9.659 -12.504 -2.901 1.00 73.43 H new ATOM 0 HG SER A 4 8.578 -13.101 -5.083 1.00 42.21 H new ATOM 40 N MET A 5 6.163 -10.878 -2.437 1.00 12.14 N ATOM 41 CA MET A 5 5.024 -9.982 -2.598 1.00 12.45 C ATOM 42 C MET A 5 5.485 -8.532 -2.715 1.00 43.03 C ATOM 43 O MET A 5 6.394 -8.102 -2.007 1.00 10.32 O ATOM 44 CB MET A 5 4.061 -10.128 -1.418 1.00 22.04 C ATOM 45 CG MET A 5 2.959 -9.081 -1.399 1.00 0.21 C ATOM 46 SD MET A 5 1.640 -9.482 -0.236 1.00 51.31 S ATOM 47 CE MET A 5 2.526 -9.404 1.319 1.00 34.11 C ATOM 0 H MET A 5 6.837 -10.582 -1.731 1.00 12.14 H new ATOM 0 HA MET A 5 4.506 -10.256 -3.517 1.00 12.45 H new ATOM 0 HB2 MET A 5 3.609 -11.119 -1.450 1.00 22.04 H new ATOM 0 HB3 MET A 5 4.627 -10.065 -0.488 1.00 22.04 H new ATOM 0 HG2 MET A 5 3.387 -8.113 -1.137 1.00 0.21 H new ATOM 0 HG3 MET A 5 2.538 -8.983 -2.400 1.00 0.21 H new ATOM 0 HE1 MET A 5 2.415 -10.350 1.849 1.00 34.11 H new ATOM 0 HE2 MET A 5 3.583 -9.217 1.127 1.00 34.11 H new ATOM 0 HE3 MET A 5 2.120 -8.597 1.929 1.00 34.11 H new ATOM 57 N ASN A 6 4.854 -7.785 -3.616 1.00 32.44 N ATOM 58 CA ASN A 6 5.201 -6.385 -3.827 1.00 20.11 C ATOM 59 C ASN A 6 4.064 -5.470 -3.384 1.00 32.33 C ATOM 60 O ASN A 6 2.930 -5.604 -3.845 1.00 70.55 O ATOM 61 CB ASN A 6 5.528 -6.135 -5.300 1.00 42.20 C ATOM 62 CG ASN A 6 6.257 -7.303 -5.937 1.00 15.41 C ATOM 63 OD1 ASN A 6 5.634 -8.211 -6.487 1.00 25.52 O ATOM 64 ND2 ASN A 6 7.583 -7.283 -5.864 1.00 54.54 N ATOM 0 H ASN A 6 4.100 -8.127 -4.211 1.00 32.44 H new ATOM 0 HA ASN A 6 6.081 -6.160 -3.224 1.00 20.11 H new ATOM 0 HB2 ASN A 6 4.605 -5.945 -5.847 1.00 42.20 H new ATOM 0 HB3 ASN A 6 6.140 -5.237 -5.386 1.00 42.20 H new ATOM 0 HD21 ASN A 6 8.128 -8.042 -6.274 1.00 54.54 H new ATOM 0 HD22 ASN A 6 8.056 -6.509 -5.398 1.00 54.54 H new ATOM 71 N ILE A 7 4.374 -4.540 -2.488 1.00 24.13 N ATOM 72 CA ILE A 7 3.379 -3.601 -1.985 1.00 20.35 C ATOM 73 C ILE A 7 3.615 -2.200 -2.538 1.00 20.05 C ATOM 74 O ILE A 7 4.756 -1.756 -2.666 1.00 12.54 O ATOM 75 CB ILE A 7 3.389 -3.541 -0.445 1.00 75.44 C ATOM 76 CG1 ILE A 7 3.120 -4.928 0.142 1.00 31.40 C ATOM 77 CG2 ILE A 7 2.358 -2.541 0.053 1.00 14.01 C ATOM 78 CD1 ILE A 7 4.330 -5.549 0.805 1.00 33.14 C ATOM 0 H ILE A 7 5.307 -4.416 -2.095 1.00 24.13 H new ATOM 0 HA ILE A 7 2.407 -3.962 -2.321 1.00 20.35 H new ATOM 0 HB ILE A 7 4.374 -3.212 -0.115 1.00 75.44 H new ATOM 0 HG12 ILE A 7 2.314 -4.855 0.872 1.00 31.40 H new ATOM 0 HG13 ILE A 7 2.772 -5.588 -0.652 1.00 31.40 H new ATOM 0 HG21 ILE A 7 2.377 -2.510 1.142 1.00 14.01 H new ATOM 0 HG22 ILE A 7 2.590 -1.552 -0.342 1.00 14.01 H new ATOM 0 HG23 ILE A 7 1.366 -2.843 -0.284 1.00 14.01 H new ATOM 0 HD11 ILE A 7 4.066 -6.531 1.198 1.00 33.14 H new ATOM 0 HD12 ILE A 7 5.131 -5.655 0.074 1.00 33.14 H new ATOM 0 HD13 ILE A 7 4.666 -4.910 1.621 1.00 33.14 H new ATOM 90 N LEU A 8 2.529 -1.509 -2.863 1.00 0.12 N ATOM 91 CA LEU A 8 2.616 -0.156 -3.402 1.00 11.12 C ATOM 92 C LEU A 8 1.992 0.854 -2.442 1.00 62.32 C ATOM 93 O LEU A 8 0.900 0.635 -1.919 1.00 31.45 O ATOM 94 CB LEU A 8 1.921 -0.080 -4.761 1.00 72.44 C ATOM 95 CG LEU A 8 2.271 1.130 -5.629 1.00 32.44 C ATOM 96 CD1 LEU A 8 1.657 2.395 -5.050 1.00 70.03 C ATOM 97 CD2 LEU A 8 3.780 1.276 -5.756 1.00 12.20 C ATOM 0 H LEU A 8 1.578 -1.863 -2.763 1.00 0.12 H new ATOM 0 HA LEU A 8 3.670 0.091 -3.526 1.00 11.12 H new ATOM 0 HB2 LEU A 8 2.161 -0.984 -5.320 1.00 72.44 H new ATOM 0 HB3 LEU A 8 0.844 -0.084 -4.596 1.00 72.44 H new ATOM 0 HG LEU A 8 1.857 0.972 -6.625 1.00 32.44 H new ATOM 0 HD11 LEU A 8 1.916 3.246 -5.680 1.00 70.03 H new ATOM 0 HD12 LEU A 8 0.573 2.289 -5.011 1.00 70.03 H new ATOM 0 HD13 LEU A 8 2.042 2.558 -4.043 1.00 70.03 H new ATOM 0 HD21 LEU A 8 4.011 2.142 -6.377 1.00 12.20 H new ATOM 0 HD22 LEU A 8 4.217 1.412 -4.767 1.00 12.20 H new ATOM 0 HD23 LEU A 8 4.195 0.379 -6.216 1.00 12.20 H new ATOM 109 N LEU A 9 2.693 1.961 -2.219 1.00 34.32 N ATOM 110 CA LEU A 9 2.207 3.006 -1.325 1.00 35.13 C ATOM 111 C LEU A 9 2.088 4.337 -2.058 1.00 3.41 C ATOM 112 O LEU A 9 2.968 4.712 -2.833 1.00 4.54 O ATOM 113 CB LEU A 9 3.142 3.153 -0.124 1.00 23.53 C ATOM 114 CG LEU A 9 2.740 4.198 0.916 1.00 1.34 C ATOM 115 CD1 LEU A 9 1.324 3.942 1.411 1.00 65.10 C ATOM 116 CD2 LEU A 9 3.721 4.198 2.080 1.00 43.42 C ATOM 0 H LEU A 9 3.599 2.158 -2.645 1.00 34.32 H new ATOM 0 HA LEU A 9 1.217 2.717 -0.973 1.00 35.13 H new ATOM 0 HB2 LEU A 9 3.217 2.186 0.373 1.00 23.53 H new ATOM 0 HB3 LEU A 9 4.138 3.401 -0.492 1.00 23.53 H new ATOM 0 HG LEU A 9 2.767 5.180 0.444 1.00 1.34 H new ATOM 0 HD11 LEU A 9 1.055 4.696 2.151 1.00 65.10 H new ATOM 0 HD12 LEU A 9 0.630 3.994 0.572 1.00 65.10 H new ATOM 0 HD13 LEU A 9 1.271 2.953 1.865 1.00 65.10 H new ATOM 0 HD21 LEU A 9 3.419 4.948 2.811 1.00 43.42 H new ATOM 0 HD22 LEU A 9 3.727 3.215 2.551 1.00 43.42 H new ATOM 0 HD23 LEU A 9 4.721 4.431 1.713 1.00 43.42 H new ATOM 128 N VAL A 10 0.995 5.051 -1.807 1.00 33.43 N ATOM 129 CA VAL A 10 0.762 6.343 -2.440 1.00 1.42 C ATOM 130 C VAL A 10 0.754 7.466 -1.408 1.00 43.34 C ATOM 131 O VAL A 10 0.112 7.359 -0.364 1.00 22.13 O ATOM 132 CB VAL A 10 -0.571 6.360 -3.211 1.00 62.53 C ATOM 133 CG1 VAL A 10 -0.696 7.632 -4.035 1.00 11.24 C ATOM 134 CG2 VAL A 10 -0.688 5.128 -4.096 1.00 63.32 C ATOM 0 H VAL A 10 0.256 4.756 -1.169 1.00 33.43 H new ATOM 0 HA VAL A 10 1.580 6.503 -3.142 1.00 1.42 H new ATOM 0 HB VAL A 10 -1.388 6.342 -2.490 1.00 62.53 H new ATOM 0 HG11 VAL A 10 -1.644 7.626 -4.573 1.00 11.24 H new ATOM 0 HG12 VAL A 10 -0.659 8.498 -3.375 1.00 11.24 H new ATOM 0 HG13 VAL A 10 0.126 7.685 -4.749 1.00 11.24 H new ATOM 0 HG21 VAL A 10 -1.636 5.155 -4.634 1.00 63.32 H new ATOM 0 HG22 VAL A 10 0.135 5.114 -4.811 1.00 63.32 H new ATOM 0 HG23 VAL A 10 -0.647 4.231 -3.478 1.00 63.32 H new ATOM 144 N CYS A 11 1.470 8.545 -1.710 1.00 75.34 N ATOM 145 CA CYS A 11 1.546 9.689 -0.810 1.00 11.35 C ATOM 146 C CYS A 11 2.369 10.814 -1.428 1.00 13.12 C ATOM 147 O CYS A 11 2.069 11.993 -1.239 1.00 20.43 O ATOM 148 CB CYS A 11 2.156 9.271 0.530 1.00 74.14 C ATOM 149 SG CYS A 11 3.769 8.469 0.387 1.00 35.33 S ATOM 0 H CYS A 11 2.006 8.650 -2.572 1.00 75.34 H new ATOM 0 HA CYS A 11 0.533 10.055 -0.642 1.00 11.35 H new ATOM 0 HB2 CYS A 11 2.255 10.153 1.163 1.00 74.14 H new ATOM 0 HB3 CYS A 11 1.468 8.592 1.034 1.00 74.14 H new ATOM 0 HG CYS A 11 4.204 8.155 1.571 1.00 35.33 H new ATOM 232 N MET A 19 9.619 7.197 6.888 1.00 4.33 N ATOM 233 CA MET A 19 9.227 6.669 8.190 1.00 5.42 C ATOM 234 C MET A 19 8.458 5.361 8.037 1.00 53.32 C ATOM 235 O MET A 19 8.848 4.330 8.587 1.00 44.13 O ATOM 236 CB MET A 19 8.374 7.691 8.943 1.00 51.01 C ATOM 237 CG MET A 19 9.094 9.003 9.212 1.00 23.55 C ATOM 238 SD MET A 19 10.524 8.801 10.292 1.00 25.34 S ATOM 239 CE MET A 19 11.738 9.801 9.435 1.00 4.32 C ATOM 0 HA MET A 19 10.134 6.472 8.762 1.00 5.42 H new ATOM 0 HB2 MET A 19 7.471 7.893 8.367 1.00 51.01 H new ATOM 0 HB3 MET A 19 8.057 7.259 9.892 1.00 51.01 H new ATOM 0 HG2 MET A 19 9.417 9.437 8.265 1.00 23.55 H new ATOM 0 HG3 MET A 19 8.398 9.709 9.665 1.00 23.55 H new ATOM 0 HE1 MET A 19 12.681 9.777 9.982 1.00 4.32 H new ATOM 0 HE2 MET A 19 11.891 9.406 8.431 1.00 4.32 H new ATOM 0 HE3 MET A 19 11.382 10.829 9.370 1.00 4.32 H new ATOM 249 N LEU A 20 7.363 5.409 7.287 1.00 54.02 N ATOM 250 CA LEU A 20 6.537 4.227 7.061 1.00 73.01 C ATOM 251 C LEU A 20 7.380 3.064 6.549 1.00 73.04 C ATOM 252 O LEU A 20 7.417 1.995 7.157 1.00 1.32 O ATOM 253 CB LEU A 20 5.422 4.543 6.064 1.00 50.45 C ATOM 254 CG LEU A 20 4.071 4.928 6.666 1.00 34.31 C ATOM 255 CD1 LEU A 20 3.072 5.262 5.569 1.00 14.45 C ATOM 256 CD2 LEU A 20 3.541 3.805 7.547 1.00 13.43 C ATOM 0 H LEU A 20 7.026 6.253 6.825 1.00 54.02 H new ATOM 0 HA LEU A 20 6.092 3.937 8.013 1.00 73.01 H new ATOM 0 HB2 LEU A 20 5.756 5.358 5.422 1.00 50.45 H new ATOM 0 HB3 LEU A 20 5.277 3.673 5.424 1.00 50.45 H new ATOM 0 HG LEU A 20 4.210 5.815 7.284 1.00 34.31 H new ATOM 0 HD11 LEU A 20 2.116 5.534 6.018 1.00 14.45 H new ATOM 0 HD12 LEU A 20 3.446 6.098 4.978 1.00 14.45 H new ATOM 0 HD13 LEU A 20 2.936 4.394 4.924 1.00 14.45 H new ATOM 0 HD21 LEU A 20 2.578 4.096 7.968 1.00 13.43 H new ATOM 0 HD22 LEU A 20 3.418 2.901 6.950 1.00 13.43 H new ATOM 0 HD23 LEU A 20 4.247 3.613 8.355 1.00 13.43 H new ATOM 268 N VAL A 21 8.058 3.281 5.425 1.00 54.12 N ATOM 269 CA VAL A 21 8.904 2.253 4.832 1.00 73.44 C ATOM 270 C VAL A 21 9.888 1.693 5.854 1.00 55.44 C ATOM 271 O VAL A 21 10.124 0.487 5.904 1.00 23.32 O ATOM 272 CB VAL A 21 9.688 2.799 3.624 1.00 2.33 C ATOM 273 CG1 VAL A 21 10.582 1.718 3.035 1.00 0.22 C ATOM 274 CG2 VAL A 21 8.736 3.347 2.573 1.00 13.01 C ATOM 0 H VAL A 21 8.037 4.160 4.908 1.00 54.12 H new ATOM 0 HA VAL A 21 8.243 1.455 4.495 1.00 73.44 H new ATOM 0 HB VAL A 21 10.323 3.616 3.965 1.00 2.33 H new ATOM 0 HG11 VAL A 21 11.128 2.122 2.183 1.00 0.22 H new ATOM 0 HG12 VAL A 21 11.290 1.379 3.792 1.00 0.22 H new ATOM 0 HG13 VAL A 21 9.970 0.878 2.708 1.00 0.22 H new ATOM 0 HG21 VAL A 21 9.308 3.728 1.727 1.00 13.01 H new ATOM 0 HG22 VAL A 21 8.072 2.552 2.233 1.00 13.01 H new ATOM 0 HG23 VAL A 21 8.144 4.154 3.004 1.00 13.01 H new ATOM 284 N GLN A 22 10.456 2.578 6.665 1.00 34.05 N ATOM 285 CA GLN A 22 11.414 2.172 7.686 1.00 62.14 C ATOM 286 C GLN A 22 10.791 1.169 8.650 1.00 74.11 C ATOM 287 O GLN A 22 11.305 0.065 8.831 1.00 24.12 O ATOM 288 CB GLN A 22 11.918 3.393 8.458 1.00 1.31 C ATOM 289 CG GLN A 22 13.165 4.021 7.857 1.00 64.23 C ATOM 290 CD GLN A 22 14.437 3.562 8.544 1.00 20.11 C ATOM 291 OE1 GLN A 22 14.735 2.368 8.592 1.00 1.31 O ATOM 292 NE2 GLN A 22 15.195 4.511 9.080 1.00 44.00 N ATOM 0 H GLN A 22 10.270 3.580 6.635 1.00 34.05 H new ATOM 0 HA GLN A 22 12.256 1.693 7.187 1.00 62.14 H new ATOM 0 HB2 GLN A 22 11.126 4.141 8.495 1.00 1.31 H new ATOM 0 HB3 GLN A 22 12.128 3.101 9.487 1.00 1.31 H new ATOM 0 HG2 GLN A 22 13.218 3.772 6.797 1.00 64.23 H new ATOM 0 HG3 GLN A 22 13.090 5.106 7.926 1.00 64.23 H new ATOM 0 HE21 GLN A 22 14.910 5.488 9.017 1.00 44.00 H new ATOM 0 HE22 GLN A 22 16.063 4.263 9.555 1.00 44.00 H new ATOM 301 N ARG A 23 9.679 1.559 9.267 1.00 44.24 N ATOM 302 CA ARG A 23 8.987 0.694 10.213 1.00 33.10 C ATOM 303 C ARG A 23 8.641 -0.648 9.572 1.00 2.42 C ATOM 304 O ARG A 23 9.065 -1.701 10.048 1.00 53.32 O ATOM 305 CB ARG A 23 7.713 1.373 10.720 1.00 50.14 C ATOM 306 CG ARG A 23 7.976 2.578 11.608 1.00 61.55 C ATOM 307 CD ARG A 23 6.937 2.694 12.711 1.00 10.33 C ATOM 308 NE ARG A 23 7.549 2.741 14.037 1.00 44.02 N ATOM 309 CZ ARG A 23 8.044 1.675 14.656 1.00 61.33 C ATOM 310 NH1 ARG A 23 7.999 0.485 14.072 1.00 64.22 N ATOM 311 NH2 ARG A 23 8.585 1.797 15.860 1.00 24.31 N ATOM 0 H ARG A 23 9.239 2.469 9.128 1.00 44.24 H new ATOM 0 HA ARG A 23 9.654 0.513 11.056 1.00 33.10 H new ATOM 0 HB2 ARG A 23 7.114 1.686 9.865 1.00 50.14 H new ATOM 0 HB3 ARG A 23 7.120 0.646 11.275 1.00 50.14 H new ATOM 0 HG2 ARG A 23 8.969 2.496 12.049 1.00 61.55 H new ATOM 0 HG3 ARG A 23 7.969 3.485 11.004 1.00 61.55 H new ATOM 0 HD2 ARG A 23 6.341 3.593 12.555 1.00 10.33 H new ATOM 0 HD3 ARG A 23 6.254 1.846 12.657 1.00 10.33 H new ATOM 0 HE ARG A 23 7.599 3.642 14.513 1.00 44.02 H new ATOM 0 HH11 ARG A 23 7.584 0.387 13.146 1.00 64.22 H new ATOM 0 HH12 ARG A 23 8.380 -0.332 14.549 1.00 64.22 H new ATOM 0 HH21 ARG A 23 8.622 2.710 16.312 1.00 24.31 H new ATOM 0 HH22 ARG A 23 8.965 0.977 16.334 1.00 24.31 H new ATOM 325 N ILE A 24 7.870 -0.599 8.491 1.00 24.41 N ATOM 326 CA ILE A 24 7.469 -1.810 7.786 1.00 50.40 C ATOM 327 C ILE A 24 8.678 -2.672 7.440 1.00 50.42 C ATOM 328 O ILE A 24 8.660 -3.887 7.631 1.00 62.23 O ATOM 329 CB ILE A 24 6.702 -1.479 6.492 1.00 42.12 C ATOM 330 CG1 ILE A 24 5.460 -0.643 6.808 1.00 13.21 C ATOM 331 CG2 ILE A 24 6.316 -2.757 5.763 1.00 33.33 C ATOM 332 CD1 ILE A 24 5.266 0.531 5.873 1.00 5.15 C ATOM 0 H ILE A 24 7.511 0.265 8.085 1.00 24.41 H new ATOM 0 HA ILE A 24 6.813 -2.363 8.458 1.00 50.40 H new ATOM 0 HB ILE A 24 7.353 -0.895 5.841 1.00 42.12 H new ATOM 0 HG12 ILE A 24 4.579 -1.284 6.761 1.00 13.21 H new ATOM 0 HG13 ILE A 24 5.531 -0.274 7.831 1.00 13.21 H new ATOM 0 HG21 ILE A 24 5.775 -2.506 4.851 1.00 33.33 H new ATOM 0 HG22 ILE A 24 7.216 -3.317 5.509 1.00 33.33 H new ATOM 0 HG23 ILE A 24 5.680 -3.365 6.407 1.00 33.33 H new ATOM 0 HD11 ILE A 24 4.367 1.078 6.157 1.00 5.15 H new ATOM 0 HD12 ILE A 24 6.129 1.194 5.937 1.00 5.15 H new ATOM 0 HD13 ILE A 24 5.162 0.168 4.850 1.00 5.15 H new ATOM 344 N GLU A 25 9.728 -2.032 6.933 1.00 3.11 N ATOM 345 CA GLU A 25 10.947 -2.741 6.563 1.00 32.30 C ATOM 346 C GLU A 25 11.571 -3.423 7.777 1.00 72.23 C ATOM 347 O GLU A 25 12.084 -4.538 7.682 1.00 61.23 O ATOM 348 CB GLU A 25 11.954 -1.776 5.933 1.00 54.10 C ATOM 349 CG GLU A 25 11.687 -1.491 4.465 1.00 4.21 C ATOM 350 CD GLU A 25 12.308 -2.525 3.548 1.00 51.24 C ATOM 351 OE1 GLU A 25 13.540 -2.718 3.619 1.00 72.01 O ATOM 352 OE2 GLU A 25 11.564 -3.142 2.757 1.00 73.10 O ATOM 0 H GLU A 25 9.758 -1.026 6.770 1.00 3.11 H new ATOM 0 HA GLU A 25 10.683 -3.507 5.834 1.00 32.30 H new ATOM 0 HB2 GLU A 25 11.939 -0.837 6.485 1.00 54.10 H new ATOM 0 HB3 GLU A 25 12.956 -2.191 6.037 1.00 54.10 H new ATOM 0 HG2 GLU A 25 10.611 -1.459 4.295 1.00 4.21 H new ATOM 0 HG3 GLU A 25 12.079 -0.505 4.213 1.00 4.21 H new ATOM 359 N LYS A 26 11.521 -2.746 8.919 1.00 2.02 N ATOM 360 CA LYS A 26 12.079 -3.285 10.153 1.00 5.33 C ATOM 361 C LYS A 26 11.325 -4.535 10.592 1.00 35.51 C ATOM 362 O LYS A 26 11.906 -5.615 10.705 1.00 13.33 O ATOM 363 CB LYS A 26 12.029 -2.231 11.262 1.00 61.12 C ATOM 364 CG LYS A 26 13.399 -1.741 11.699 1.00 53.04 C ATOM 365 CD LYS A 26 13.936 -2.552 12.866 1.00 33.41 C ATOM 366 CE LYS A 26 14.476 -3.898 12.408 1.00 72.21 C ATOM 367 NZ LYS A 26 14.895 -4.748 13.556 1.00 34.51 N ATOM 0 H LYS A 26 11.099 -1.822 9.015 1.00 2.02 H new ATOM 0 HA LYS A 26 13.117 -3.557 9.964 1.00 5.33 H new ATOM 0 HB2 LYS A 26 11.441 -1.380 10.917 1.00 61.12 H new ATOM 0 HB3 LYS A 26 11.510 -2.648 12.125 1.00 61.12 H new ATOM 0 HG2 LYS A 26 14.093 -1.804 10.861 1.00 53.04 H new ATOM 0 HG3 LYS A 26 13.337 -0.690 11.983 1.00 53.04 H new ATOM 0 HD2 LYS A 26 14.727 -1.993 13.366 1.00 33.41 H new ATOM 0 HD3 LYS A 26 13.143 -2.707 13.598 1.00 33.41 H new ATOM 0 HE2 LYS A 26 13.712 -4.418 11.831 1.00 72.21 H new ATOM 0 HE3 LYS A 26 15.326 -3.741 11.743 1.00 72.21 H new ATOM 0 HZ1 LYS A 26 15.257 -5.656 13.202 1.00 34.51 H new ATOM 0 HZ2 LYS A 26 15.642 -4.263 14.092 1.00 34.51 H new ATOM 0 HZ3 LYS A 26 14.079 -4.919 14.177 1.00 34.51 H new ATOM 381 N TYR A 27 10.028 -4.383 10.836 1.00 62.03 N ATOM 382 CA TYR A 27 9.194 -5.500 11.262 1.00 63.20 C ATOM 383 C TYR A 27 9.351 -6.689 10.318 1.00 45.22 C ATOM 384 O TYR A 27 9.555 -7.820 10.756 1.00 32.31 O ATOM 385 CB TYR A 27 7.726 -5.074 11.324 1.00 61.23 C ATOM 386 CG TYR A 27 6.775 -6.218 11.596 1.00 54.32 C ATOM 387 CD1 TYR A 27 6.276 -6.994 10.557 1.00 14.15 C ATOM 388 CD2 TYR A 27 6.375 -6.521 12.891 1.00 74.11 C ATOM 389 CE1 TYR A 27 5.405 -8.039 10.801 1.00 42.15 C ATOM 390 CE2 TYR A 27 5.507 -7.565 13.144 1.00 14.14 C ATOM 391 CZ TYR A 27 5.024 -8.321 12.097 1.00 40.34 C ATOM 392 OH TYR A 27 4.158 -9.360 12.344 1.00 61.41 O ATOM 0 H TYR A 27 9.531 -3.497 10.746 1.00 62.03 H new ATOM 0 HA TYR A 27 9.519 -5.804 12.257 1.00 63.20 H new ATOM 0 HB2 TYR A 27 7.607 -4.321 12.103 1.00 61.23 H new ATOM 0 HB3 TYR A 27 7.453 -4.602 10.380 1.00 61.23 H new ATOM 0 HD1 TYR A 27 6.574 -6.777 9.542 1.00 14.15 H new ATOM 0 HD2 TYR A 27 6.749 -5.930 13.714 1.00 74.11 H new ATOM 0 HE1 TYR A 27 5.025 -8.632 9.982 1.00 42.15 H new ATOM 0 HE2 TYR A 27 5.208 -7.788 14.157 1.00 14.14 H new ATOM 0 HH TYR A 27 3.992 -9.426 13.308 1.00 61.41 H new ATOM 402 N ALA A 28 9.255 -6.422 9.020 1.00 11.12 N ATOM 403 CA ALA A 28 9.389 -7.466 8.013 1.00 72.42 C ATOM 404 C ALA A 28 10.778 -8.094 8.054 1.00 63.32 C ATOM 405 O ALA A 28 10.918 -9.317 8.096 1.00 73.15 O ATOM 406 CB ALA A 28 9.102 -6.905 6.628 1.00 4.03 C ATOM 0 H ALA A 28 9.085 -5.490 8.641 1.00 11.12 H new ATOM 0 HA ALA A 28 8.660 -8.245 8.235 1.00 72.42 H new ATOM 0 HB1 ALA A 28 9.206 -7.697 5.886 1.00 4.03 H new ATOM 0 HB2 ALA A 28 8.086 -6.511 6.598 1.00 4.03 H new ATOM 0 HB3 ALA A 28 9.808 -6.105 6.406 1.00 4.03 H new ATOM 412 N LYS A 29 11.804 -7.250 8.041 1.00 21.42 N ATOM 413 CA LYS A 29 13.184 -7.721 8.079 1.00 54.14 C ATOM 414 C LYS A 29 13.429 -8.593 9.305 1.00 14.03 C ATOM 415 O LYS A 29 14.261 -9.500 9.278 1.00 51.52 O ATOM 416 CB LYS A 29 14.149 -6.534 8.082 1.00 2.53 C ATOM 417 CG LYS A 29 15.610 -6.938 7.982 1.00 52.12 C ATOM 418 CD LYS A 29 16.089 -6.945 6.540 1.00 72.33 C ATOM 419 CE LYS A 29 17.479 -7.550 6.417 1.00 60.33 C ATOM 420 NZ LYS A 29 18.469 -6.845 7.278 1.00 34.14 N ATOM 0 H LYS A 29 11.706 -6.235 8.004 1.00 21.42 H new ATOM 0 HA LYS A 29 13.361 -8.323 7.188 1.00 54.14 H new ATOM 0 HB2 LYS A 29 13.905 -5.876 7.248 1.00 2.53 H new ATOM 0 HB3 LYS A 29 14.001 -5.959 8.996 1.00 2.53 H new ATOM 0 HG2 LYS A 29 16.220 -6.248 8.566 1.00 52.12 H new ATOM 0 HG3 LYS A 29 15.745 -7.929 8.416 1.00 52.12 H new ATOM 0 HD2 LYS A 29 15.389 -7.511 5.926 1.00 72.33 H new ATOM 0 HD3 LYS A 29 16.099 -5.926 6.154 1.00 72.33 H new ATOM 0 HE2 LYS A 29 17.442 -8.604 6.694 1.00 60.33 H new ATOM 0 HE3 LYS A 29 17.804 -7.505 5.378 1.00 60.33 H new ATOM 0 HZ1 LYS A 29 19.429 -7.159 7.031 1.00 34.14 H new ATOM 0 HZ2 LYS A 29 18.391 -5.819 7.128 1.00 34.14 H new ATOM 0 HZ3 LYS A 29 18.279 -7.065 8.277 1.00 34.14 H new ATOM 434 N SER A 30 12.698 -8.314 10.380 1.00 12.22 N ATOM 435 CA SER A 30 12.838 -9.071 11.617 1.00 34.44 C ATOM 436 C SER A 30 12.017 -10.357 11.563 1.00 64.30 C ATOM 437 O SER A 30 12.467 -11.413 12.007 1.00 35.52 O ATOM 438 CB SER A 30 12.399 -8.223 12.812 1.00 75.20 C ATOM 439 OG SER A 30 13.445 -8.093 13.758 1.00 23.21 O ATOM 0 H SER A 30 12.003 -7.569 10.418 1.00 12.22 H new ATOM 0 HA SER A 30 13.889 -9.335 11.735 1.00 34.44 H new ATOM 0 HB2 SER A 30 12.092 -7.236 12.468 1.00 75.20 H new ATOM 0 HB3 SER A 30 11.530 -8.680 13.286 1.00 75.20 H new ATOM 0 HG SER A 30 13.139 -7.545 14.511 1.00 23.21 H new ATOM 445 N LYS A 31 10.810 -10.258 11.016 1.00 61.04 N ATOM 446 CA LYS A 31 9.925 -11.412 10.901 1.00 42.10 C ATOM 447 C LYS A 31 10.418 -12.370 9.822 1.00 65.31 C ATOM 448 O LYS A 31 10.000 -13.526 9.767 1.00 62.01 O ATOM 449 CB LYS A 31 8.500 -10.956 10.581 1.00 33.41 C ATOM 450 CG LYS A 31 7.589 -10.912 11.797 1.00 52.23 C ATOM 451 CD LYS A 31 7.396 -12.292 12.399 1.00 34.34 C ATOM 452 CE LYS A 31 5.992 -12.463 12.961 1.00 61.42 C ATOM 453 NZ LYS A 31 5.513 -13.868 12.838 1.00 32.23 N ATOM 0 H LYS A 31 10.422 -9.391 10.645 1.00 61.04 H new ATOM 0 HA LYS A 31 9.927 -11.937 11.856 1.00 42.10 H new ATOM 0 HB2 LYS A 31 8.537 -9.965 10.129 1.00 33.41 H new ATOM 0 HB3 LYS A 31 8.070 -11.629 9.839 1.00 33.41 H new ATOM 0 HG2 LYS A 31 8.013 -10.243 12.546 1.00 52.23 H new ATOM 0 HG3 LYS A 31 6.621 -10.499 11.513 1.00 52.23 H new ATOM 0 HD2 LYS A 31 7.580 -13.051 11.639 1.00 34.34 H new ATOM 0 HD3 LYS A 31 8.128 -12.450 13.191 1.00 34.34 H new ATOM 0 HE2 LYS A 31 5.982 -12.166 14.010 1.00 61.42 H new ATOM 0 HE3 LYS A 31 5.307 -11.798 12.435 1.00 61.42 H new ATOM 0 HZ1 LYS A 31 4.553 -13.943 13.232 1.00 32.23 H new ATOM 0 HZ2 LYS A 31 5.498 -14.143 11.835 1.00 32.23 H new ATOM 0 HZ3 LYS A 31 6.152 -14.500 13.361 1.00 32.23 H new ATOM 467 N ASN A 32 11.310 -11.882 8.965 1.00 12.31 N ATOM 468 CA ASN A 32 11.860 -12.697 7.888 1.00 5.54 C ATOM 469 C ASN A 32 10.769 -13.105 6.903 1.00 12.43 C ATOM 470 O ASN A 32 10.547 -14.292 6.664 1.00 23.44 O ATOM 471 CB ASN A 32 12.540 -13.943 8.459 1.00 44.24 C ATOM 472 CG ASN A 32 13.508 -14.574 7.477 1.00 72.52 C ATOM 473 OD1 ASN A 32 14.556 -14.008 7.170 1.00 4.00 O ATOM 474 ND2 ASN A 32 13.158 -15.755 6.978 1.00 43.23 N ATOM 0 H ASN A 32 11.667 -10.927 8.996 1.00 12.31 H new ATOM 0 HA ASN A 32 12.600 -12.100 7.356 1.00 5.54 H new ATOM 0 HB2 ASN A 32 13.074 -13.677 9.371 1.00 44.24 H new ATOM 0 HB3 ASN A 32 11.780 -14.674 8.736 1.00 44.24 H new ATOM 0 HD21 ASN A 32 13.769 -16.228 6.312 1.00 43.23 H new ATOM 0 HD22 ASN A 32 12.279 -16.188 7.261 1.00 43.23 H new ATOM 481 N ILE A 33 10.092 -12.113 6.334 1.00 51.23 N ATOM 482 CA ILE A 33 9.025 -12.369 5.374 1.00 23.12 C ATOM 483 C ILE A 33 9.437 -11.941 3.970 1.00 72.44 C ATOM 484 O ILE A 33 10.067 -10.901 3.786 1.00 53.34 O ATOM 485 CB ILE A 33 7.730 -11.635 5.764 1.00 73.15 C ATOM 486 CG1 ILE A 33 7.267 -12.074 7.154 1.00 11.34 C ATOM 487 CG2 ILE A 33 6.642 -11.896 4.732 1.00 40.13 C ATOM 488 CD1 ILE A 33 6.314 -11.100 7.810 1.00 11.43 C ATOM 0 H ILE A 33 10.263 -11.125 6.521 1.00 51.23 H new ATOM 0 HA ILE A 33 8.840 -13.443 5.384 1.00 23.12 H new ATOM 0 HB ILE A 33 7.931 -10.564 5.790 1.00 73.15 H new ATOM 0 HG12 ILE A 33 6.782 -13.047 7.076 1.00 11.34 H new ATOM 0 HG13 ILE A 33 8.139 -12.203 7.795 1.00 11.34 H new ATOM 0 HG21 ILE A 33 5.732 -11.370 5.022 1.00 40.13 H new ATOM 0 HG22 ILE A 33 6.973 -11.539 3.757 1.00 40.13 H new ATOM 0 HG23 ILE A 33 6.441 -12.966 4.678 1.00 40.13 H new ATOM 0 HD11 ILE A 33 6.028 -11.476 8.792 1.00 11.43 H new ATOM 0 HD12 ILE A 33 6.802 -10.132 7.921 1.00 11.43 H new ATOM 0 HD13 ILE A 33 5.424 -10.989 7.191 1.00 11.43 H new ATOM 500 N ASN A 34 9.073 -12.750 2.980 1.00 60.55 N ATOM 501 CA ASN A 34 9.402 -12.456 1.590 1.00 43.10 C ATOM 502 C ASN A 34 8.434 -11.431 1.007 1.00 51.30 C ATOM 503 O ASN A 34 7.473 -11.787 0.325 1.00 23.43 O ATOM 504 CB ASN A 34 9.371 -13.737 0.754 1.00 45.53 C ATOM 505 CG ASN A 34 10.673 -14.511 0.834 1.00 53.23 C ATOM 506 OD1 ASN A 34 11.749 -13.927 0.961 1.00 44.14 O ATOM 507 ND2 ASN A 34 10.580 -15.834 0.760 1.00 10.22 N ATOM 0 H ASN A 34 8.550 -13.615 3.115 1.00 60.55 H new ATOM 0 HA ASN A 34 10.408 -12.037 1.562 1.00 43.10 H new ATOM 0 HB2 ASN A 34 8.553 -14.371 1.096 1.00 45.53 H new ATOM 0 HB3 ASN A 34 9.165 -13.484 -0.286 1.00 45.53 H new ATOM 0 HD21 ASN A 34 11.422 -16.408 0.808 1.00 10.22 H new ATOM 0 HD22 ASN A 34 9.667 -16.276 0.655 1.00 10.22 H new ATOM 514 N ALA A 35 8.694 -10.156 1.281 1.00 62.42 N ATOM 515 CA ALA A 35 7.848 -9.079 0.782 1.00 31.42 C ATOM 516 C ALA A 35 8.645 -7.791 0.606 1.00 70.42 C ATOM 517 O ALA A 35 9.762 -7.666 1.108 1.00 32.03 O ATOM 518 CB ALA A 35 6.673 -8.852 1.723 1.00 3.03 C ATOM 0 H ALA A 35 9.484 -9.844 1.846 1.00 62.42 H new ATOM 0 HA ALA A 35 7.465 -9.374 -0.195 1.00 31.42 H new ATOM 0 HB1 ALA A 35 6.049 -8.045 1.338 1.00 3.03 H new ATOM 0 HB2 ALA A 35 6.082 -9.765 1.794 1.00 3.03 H new ATOM 0 HB3 ALA A 35 7.045 -8.583 2.712 1.00 3.03 H new ATOM 524 N THR A 36 8.063 -6.836 -0.112 1.00 3.42 N ATOM 525 CA THR A 36 8.721 -5.558 -0.357 1.00 15.34 C ATOM 526 C THR A 36 7.706 -4.422 -0.424 1.00 54.24 C ATOM 527 O THR A 36 6.555 -4.628 -0.811 1.00 74.10 O ATOM 528 CB THR A 36 9.533 -5.584 -1.665 1.00 33.22 C ATOM 529 OG1 THR A 36 10.279 -4.370 -1.804 1.00 14.22 O ATOM 530 CG2 THR A 36 8.618 -5.764 -2.867 1.00 11.41 C ATOM 0 H THR A 36 7.138 -6.923 -0.534 1.00 3.42 H new ATOM 0 HA THR A 36 9.400 -5.387 0.478 1.00 15.34 H new ATOM 0 HB THR A 36 10.221 -6.429 -1.622 1.00 33.22 H new ATOM 0 HG1 THR A 36 10.794 -4.396 -2.638 1.00 14.22 H new ATOM 0 HG21 THR A 36 9.214 -5.779 -3.779 1.00 11.41 H new ATOM 0 HG22 THR A 36 8.075 -6.704 -2.773 1.00 11.41 H new ATOM 0 HG23 THR A 36 7.909 -4.938 -2.911 1.00 11.41 H new ATOM 538 N ILE A 37 8.139 -3.224 -0.048 1.00 42.03 N ATOM 539 CA ILE A 37 7.269 -2.055 -0.069 1.00 73.44 C ATOM 540 C ILE A 37 7.947 -0.875 -0.757 1.00 20.12 C ATOM 541 O ILE A 37 9.169 -0.736 -0.708 1.00 62.33 O ATOM 542 CB ILE A 37 6.854 -1.637 1.353 1.00 13.43 C ATOM 543 CG1 ILE A 37 5.763 -0.565 1.296 1.00 61.43 C ATOM 544 CG2 ILE A 37 8.061 -1.131 2.130 1.00 52.04 C ATOM 545 CD1 ILE A 37 4.978 -0.433 2.582 1.00 74.11 C ATOM 0 H ILE A 37 9.088 -3.037 0.275 1.00 42.03 H new ATOM 0 HA ILE A 37 6.378 -2.336 -0.631 1.00 73.44 H new ATOM 0 HB ILE A 37 6.453 -2.509 1.869 1.00 13.43 H new ATOM 0 HG12 ILE A 37 6.221 0.395 1.059 1.00 61.43 H new ATOM 0 HG13 ILE A 37 5.076 -0.800 0.483 1.00 61.43 H new ATOM 0 HG21 ILE A 37 7.751 -0.839 3.134 1.00 52.04 H new ATOM 0 HG22 ILE A 37 8.809 -1.922 2.196 1.00 52.04 H new ATOM 0 HG23 ILE A 37 8.489 -0.269 1.617 1.00 52.04 H new ATOM 0 HD11 ILE A 37 4.223 0.345 2.469 1.00 74.11 H new ATOM 0 HD12 ILE A 37 4.491 -1.381 2.810 1.00 74.11 H new ATOM 0 HD13 ILE A 37 5.654 -0.167 3.395 1.00 74.11 H new ATOM 557 N GLU A 38 7.146 -0.029 -1.396 1.00 3.34 N ATOM 558 CA GLU A 38 7.670 1.140 -2.092 1.00 4.42 C ATOM 559 C GLU A 38 6.611 2.234 -2.193 1.00 72.41 C ATOM 560 O GLU A 38 5.449 1.962 -2.494 1.00 61.21 O ATOM 561 CB GLU A 38 8.155 0.753 -3.490 1.00 71.03 C ATOM 562 CG GLU A 38 9.053 1.798 -4.134 1.00 34.22 C ATOM 563 CD GLU A 38 10.169 1.181 -4.954 1.00 71.24 C ATOM 564 OE1 GLU A 38 9.861 0.431 -5.905 1.00 41.31 O ATOM 565 OE2 GLU A 38 11.349 1.448 -4.647 1.00 41.22 O ATOM 0 H GLU A 38 6.132 -0.131 -1.446 1.00 3.34 H new ATOM 0 HA GLU A 38 8.512 1.526 -1.517 1.00 4.42 H new ATOM 0 HB2 GLU A 38 8.696 -0.191 -3.429 1.00 71.03 H new ATOM 0 HB3 GLU A 38 7.290 0.584 -4.132 1.00 71.03 H new ATOM 0 HG2 GLU A 38 8.452 2.444 -4.773 1.00 34.22 H new ATOM 0 HG3 GLU A 38 9.484 2.430 -3.357 1.00 34.22 H new ATOM 572 N ALA A 39 7.021 3.472 -1.939 1.00 13.12 N ATOM 573 CA ALA A 39 6.109 4.607 -2.003 1.00 42.43 C ATOM 574 C ALA A 39 6.463 5.531 -3.164 1.00 72.13 C ATOM 575 O ALA A 39 7.631 5.848 -3.383 1.00 24.53 O ATOM 576 CB ALA A 39 6.129 5.375 -0.690 1.00 42.41 C ATOM 0 H ALA A 39 7.979 3.715 -1.687 1.00 13.12 H new ATOM 0 HA ALA A 39 5.103 4.224 -2.172 1.00 42.43 H new ATOM 0 HB1 ALA A 39 5.443 6.220 -0.752 1.00 42.41 H new ATOM 0 HB2 ALA A 39 5.820 4.716 0.122 1.00 42.41 H new ATOM 0 HB3 ALA A 39 7.138 5.740 -0.497 1.00 42.41 H new ATOM 582 N ILE A 40 5.445 5.959 -3.904 1.00 52.14 N ATOM 583 CA ILE A 40 5.649 6.846 -5.042 1.00 3.41 C ATOM 584 C ILE A 40 4.427 7.726 -5.280 1.00 12.13 C ATOM 585 O ILE A 40 3.448 7.660 -4.537 1.00 4.32 O ATOM 586 CB ILE A 40 5.954 6.054 -6.327 1.00 65.22 C ATOM 587 CG1 ILE A 40 4.874 4.999 -6.570 1.00 13.21 C ATOM 588 CG2 ILE A 40 7.327 5.402 -6.234 1.00 13.25 C ATOM 589 CD1 ILE A 40 4.138 5.179 -7.880 1.00 32.35 C ATOM 0 H ILE A 40 4.471 5.706 -3.735 1.00 52.14 H new ATOM 0 HA ILE A 40 6.506 7.475 -4.800 1.00 3.41 H new ATOM 0 HB ILE A 40 5.957 6.745 -7.170 1.00 65.22 H new ATOM 0 HG12 ILE A 40 5.333 4.010 -6.553 1.00 13.21 H new ATOM 0 HG13 ILE A 40 4.155 5.031 -5.751 1.00 13.21 H new ATOM 0 HG21 ILE A 40 7.528 4.846 -7.150 1.00 13.25 H new ATOM 0 HG22 ILE A 40 8.087 6.172 -6.102 1.00 13.25 H new ATOM 0 HG23 ILE A 40 7.349 4.721 -5.383 1.00 13.25 H new ATOM 0 HD11 ILE A 40 3.387 4.396 -7.986 1.00 32.35 H new ATOM 0 HD12 ILE A 40 3.650 6.154 -7.892 1.00 32.35 H new ATOM 0 HD13 ILE A 40 4.846 5.117 -8.707 1.00 32.35 H new ATOM 601 N ALA A 41 4.490 8.549 -6.322 1.00 11.30 N ATOM 602 CA ALA A 41 3.386 9.440 -6.660 1.00 25.44 C ATOM 603 C ALA A 41 2.333 8.717 -7.491 1.00 71.33 C ATOM 604 O ALA A 41 2.418 7.507 -7.702 1.00 43.02 O ATOM 605 CB ALA A 41 3.904 10.660 -7.406 1.00 14.31 C ATOM 0 H ALA A 41 5.294 8.617 -6.947 1.00 11.30 H new ATOM 0 HA ALA A 41 2.917 9.767 -5.732 1.00 25.44 H new ATOM 0 HB1 ALA A 41 3.070 11.317 -7.652 1.00 14.31 H new ATOM 0 HB2 ALA A 41 4.615 11.196 -6.777 1.00 14.31 H new ATOM 0 HB3 ALA A 41 4.399 10.342 -8.324 1.00 14.31 H new ATOM 611 N GLU A 42 1.340 9.465 -7.961 1.00 22.04 N ATOM 612 CA GLU A 42 0.269 8.893 -8.768 1.00 52.50 C ATOM 613 C GLU A 42 0.692 8.774 -10.229 1.00 2.11 C ATOM 614 O GLU A 42 0.207 7.911 -10.961 1.00 65.11 O ATOM 615 CB GLU A 42 -0.994 9.750 -8.660 1.00 53.51 C ATOM 616 CG GLU A 42 -0.767 11.215 -8.994 1.00 62.43 C ATOM 617 CD GLU A 42 -1.937 11.834 -9.732 1.00 34.20 C ATOM 618 OE1 GLU A 42 -2.039 11.630 -10.960 1.00 44.04 O ATOM 619 OE2 GLU A 42 -2.752 12.523 -9.083 1.00 34.34 O ATOM 0 H GLU A 42 1.255 10.468 -7.797 1.00 22.04 H new ATOM 0 HA GLU A 42 0.056 7.894 -8.387 1.00 52.50 H new ATOM 0 HB2 GLU A 42 -1.754 9.347 -9.329 1.00 53.51 H new ATOM 0 HB3 GLU A 42 -1.389 9.674 -7.647 1.00 53.51 H new ATOM 0 HG2 GLU A 42 -0.589 11.770 -8.073 1.00 62.43 H new ATOM 0 HG3 GLU A 42 0.132 11.310 -9.602 1.00 62.43 H new ATOM 626 N THR A 43 1.602 9.649 -10.649 1.00 13.01 N ATOM 627 CA THR A 43 2.090 9.644 -12.022 1.00 4.44 C ATOM 628 C THR A 43 2.707 8.297 -12.381 1.00 23.00 C ATOM 629 O THR A 43 2.541 7.806 -13.498 1.00 55.12 O ATOM 630 CB THR A 43 3.137 10.752 -12.249 1.00 1.40 C ATOM 631 OG1 THR A 43 3.643 10.680 -13.586 1.00 52.45 O ATOM 632 CG2 THR A 43 4.285 10.623 -11.260 1.00 23.14 C ATOM 0 H THR A 43 2.015 10.370 -10.057 1.00 13.01 H new ATOM 0 HA THR A 43 1.229 9.829 -12.665 1.00 4.44 H new ATOM 0 HB THR A 43 2.653 11.716 -12.095 1.00 1.40 H new ATOM 0 HG1 THR A 43 4.307 11.388 -13.723 1.00 52.45 H new ATOM 0 HG21 THR A 43 5.011 11.416 -11.440 1.00 23.14 H new ATOM 0 HG22 THR A 43 3.901 10.707 -10.243 1.00 23.14 H new ATOM 0 HG23 THR A 43 4.767 9.654 -11.387 1.00 23.14 H new ATOM 640 N ARG A 44 3.418 7.704 -11.428 1.00 62.41 N ATOM 641 CA ARG A 44 4.059 6.413 -11.646 1.00 45.03 C ATOM 642 C ARG A 44 3.201 5.279 -11.093 1.00 64.32 C ATOM 643 O ARG A 44 3.416 4.110 -11.414 1.00 62.21 O ATOM 644 CB ARG A 44 5.440 6.388 -10.988 1.00 43.33 C ATOM 645 CG ARG A 44 6.543 6.958 -11.866 1.00 21.24 C ATOM 646 CD ARG A 44 7.692 7.504 -11.033 1.00 32.24 C ATOM 647 NE ARG A 44 8.257 8.720 -11.610 1.00 15.45 N ATOM 648 CZ ARG A 44 9.384 9.281 -11.185 1.00 30.12 C ATOM 649 NH1 ARG A 44 10.064 8.737 -10.185 1.00 72.32 N ATOM 650 NH2 ARG A 44 9.834 10.388 -11.762 1.00 32.03 N ATOM 0 H ARG A 44 3.565 8.097 -10.498 1.00 62.41 H new ATOM 0 HA ARG A 44 4.172 6.269 -12.721 1.00 45.03 H new ATOM 0 HB2 ARG A 44 5.400 6.953 -10.057 1.00 43.33 H new ATOM 0 HB3 ARG A 44 5.690 5.360 -10.726 1.00 43.33 H new ATOM 0 HG2 ARG A 44 6.914 6.182 -12.535 1.00 21.24 H new ATOM 0 HG3 ARG A 44 6.137 7.752 -12.493 1.00 21.24 H new ATOM 0 HD2 ARG A 44 7.340 7.712 -10.022 1.00 32.24 H new ATOM 0 HD3 ARG A 44 8.471 6.746 -10.950 1.00 32.24 H new ATOM 0 HE ARG A 44 7.759 9.163 -12.382 1.00 15.45 H new ATOM 0 HH11 ARG A 44 9.722 7.885 -9.740 1.00 72.32 H new ATOM 0 HH12 ARG A 44 10.929 9.170 -9.861 1.00 72.32 H new ATOM 0 HH21 ARG A 44 9.315 10.809 -12.532 1.00 32.03 H new ATOM 0 HH22 ARG A 44 10.699 10.818 -11.435 1.00 32.03 H new ATOM 664 N LEU A 45 2.228 5.633 -10.261 1.00 72.50 N ATOM 665 CA LEU A 45 1.337 4.646 -9.662 1.00 72.35 C ATOM 666 C LEU A 45 0.713 3.755 -10.732 1.00 45.15 C ATOM 667 O LEU A 45 0.597 2.543 -10.556 1.00 23.55 O ATOM 668 CB LEU A 45 0.237 5.342 -8.858 1.00 44.53 C ATOM 669 CG LEU A 45 -0.984 4.490 -8.512 1.00 41.32 C ATOM 670 CD1 LEU A 45 -1.557 4.901 -7.165 1.00 4.13 C ATOM 671 CD2 LEU A 45 -2.041 4.606 -9.601 1.00 21.41 C ATOM 0 H LEU A 45 2.036 6.596 -9.986 1.00 72.50 H new ATOM 0 HA LEU A 45 1.927 4.021 -8.992 1.00 72.35 H new ATOM 0 HB2 LEU A 45 0.672 5.711 -7.929 1.00 44.53 H new ATOM 0 HB3 LEU A 45 -0.100 6.213 -9.420 1.00 44.53 H new ATOM 0 HG LEU A 45 -0.670 3.448 -8.448 1.00 41.32 H new ATOM 0 HD11 LEU A 45 -2.426 4.284 -6.935 1.00 4.13 H new ATOM 0 HD12 LEU A 45 -0.801 4.766 -6.391 1.00 4.13 H new ATOM 0 HD13 LEU A 45 -1.856 5.949 -7.201 1.00 4.13 H new ATOM 0 HD21 LEU A 45 -2.903 3.993 -9.338 1.00 21.41 H new ATOM 0 HD22 LEU A 45 -2.351 5.646 -9.697 1.00 21.41 H new ATOM 0 HD23 LEU A 45 -1.626 4.262 -10.549 1.00 21.41 H new ATOM 683 N SER A 46 0.316 4.365 -11.845 1.00 11.33 N ATOM 684 CA SER A 46 -0.298 3.629 -12.944 1.00 22.23 C ATOM 685 C SER A 46 0.760 2.896 -13.764 1.00 11.52 C ATOM 686 O SER A 46 0.454 1.949 -14.486 1.00 54.34 O ATOM 687 CB SER A 46 -1.089 4.579 -13.843 1.00 33.11 C ATOM 688 OG SER A 46 -0.248 5.187 -14.808 1.00 71.11 O ATOM 0 H SER A 46 0.409 5.367 -12.009 1.00 11.33 H new ATOM 0 HA SER A 46 -0.979 2.892 -12.520 1.00 22.23 H new ATOM 0 HB2 SER A 46 -1.886 4.030 -14.345 1.00 33.11 H new ATOM 0 HB3 SER A 46 -1.565 5.348 -13.235 1.00 33.11 H new ATOM 0 HG SER A 46 -0.778 5.788 -15.371 1.00 71.11 H new ATOM 694 N GLU A 47 2.007 3.344 -13.645 1.00 20.41 N ATOM 695 CA GLU A 47 3.110 2.732 -14.375 1.00 73.33 C ATOM 696 C GLU A 47 3.788 1.654 -13.536 1.00 31.35 C ATOM 697 O GLU A 47 4.699 0.969 -14.001 1.00 11.01 O ATOM 698 CB GLU A 47 4.133 3.795 -14.783 1.00 31.14 C ATOM 699 CG GLU A 47 4.171 4.062 -16.278 1.00 11.24 C ATOM 700 CD GLU A 47 5.538 4.514 -16.755 1.00 21.42 C ATOM 701 OE1 GLU A 47 5.932 5.654 -16.429 1.00 61.35 O ATOM 702 OE2 GLU A 47 6.212 3.729 -17.453 1.00 13.23 O ATOM 0 H GLU A 47 2.277 4.128 -13.051 1.00 20.41 H new ATOM 0 HA GLU A 47 2.703 2.266 -15.272 1.00 73.33 H new ATOM 0 HB2 GLU A 47 3.905 4.725 -14.262 1.00 31.14 H new ATOM 0 HB3 GLU A 47 5.123 3.480 -14.454 1.00 31.14 H new ATOM 0 HG2 GLU A 47 3.885 3.156 -16.813 1.00 11.24 H new ATOM 0 HG3 GLU A 47 3.433 4.825 -16.526 1.00 11.24 H new ATOM 709 N VAL A 48 3.335 1.507 -12.294 1.00 62.31 N ATOM 710 CA VAL A 48 3.896 0.512 -11.388 1.00 1.05 C ATOM 711 C VAL A 48 2.832 -0.480 -10.934 1.00 73.43 C ATOM 712 O VAL A 48 3.121 -1.652 -10.693 1.00 62.34 O ATOM 713 CB VAL A 48 4.527 1.174 -10.148 1.00 41.31 C ATOM 714 CG1 VAL A 48 5.612 2.157 -10.562 1.00 54.34 C ATOM 715 CG2 VAL A 48 3.461 1.865 -9.313 1.00 35.40 C ATOM 0 H VAL A 48 2.581 2.065 -11.893 1.00 62.31 H new ATOM 0 HA VAL A 48 4.671 -0.018 -11.942 1.00 1.05 H new ATOM 0 HB VAL A 48 4.987 0.397 -9.537 1.00 41.31 H new ATOM 0 HG11 VAL A 48 6.046 2.615 -9.673 1.00 54.34 H new ATOM 0 HG12 VAL A 48 6.389 1.629 -11.115 1.00 54.34 H new ATOM 0 HG13 VAL A 48 5.179 2.932 -11.195 1.00 54.34 H new ATOM 0 HG21 VAL A 48 3.924 2.327 -8.441 1.00 35.40 H new ATOM 0 HG22 VAL A 48 2.970 2.632 -9.912 1.00 35.40 H new ATOM 0 HG23 VAL A 48 2.723 1.132 -8.986 1.00 35.40 H new ATOM 725 N VAL A 49 1.596 -0.002 -10.818 1.00 74.43 N ATOM 726 CA VAL A 49 0.486 -0.848 -10.395 1.00 4.33 C ATOM 727 C VAL A 49 0.184 -1.921 -11.435 1.00 23.04 C ATOM 728 O VAL A 49 -0.542 -2.877 -11.162 1.00 23.10 O ATOM 729 CB VAL A 49 -0.787 -0.018 -10.144 1.00 53.41 C ATOM 730 CG1 VAL A 49 -1.316 0.557 -11.450 1.00 21.31 C ATOM 731 CG2 VAL A 49 -1.848 -0.865 -9.457 1.00 62.30 C ATOM 0 H VAL A 49 1.339 0.966 -11.011 1.00 74.43 H new ATOM 0 HA VAL A 49 0.789 -1.326 -9.463 1.00 4.33 H new ATOM 0 HB VAL A 49 -0.534 0.813 -9.485 1.00 53.41 H new ATOM 0 HG11 VAL A 49 -2.215 1.140 -11.253 1.00 21.31 H new ATOM 0 HG12 VAL A 49 -0.558 1.199 -11.898 1.00 21.31 H new ATOM 0 HG13 VAL A 49 -1.554 -0.256 -12.136 1.00 21.31 H new ATOM 0 HG21 VAL A 49 -2.741 -0.263 -9.287 1.00 62.30 H new ATOM 0 HG22 VAL A 49 -2.100 -1.716 -10.089 1.00 62.30 H new ATOM 0 HG23 VAL A 49 -1.465 -1.223 -8.501 1.00 62.30 H new ATOM 741 N ASP A 50 0.746 -1.755 -12.628 1.00 33.25 N ATOM 742 CA ASP A 50 0.538 -2.711 -13.709 1.00 11.41 C ATOM 743 C ASP A 50 1.219 -4.039 -13.399 1.00 72.41 C ATOM 744 O ASP A 50 0.825 -5.085 -13.915 1.00 24.20 O ATOM 745 CB ASP A 50 1.071 -2.146 -15.026 1.00 50.34 C ATOM 746 CG ASP A 50 -0.020 -1.971 -16.066 1.00 22.25 C ATOM 747 OD1 ASP A 50 -0.654 -0.896 -16.086 1.00 32.43 O ATOM 748 OD2 ASP A 50 -0.238 -2.910 -16.859 1.00 24.53 O ATOM 0 H ASP A 50 1.348 -0.968 -12.870 1.00 33.25 H new ATOM 0 HA ASP A 50 -0.533 -2.887 -13.804 1.00 11.41 H new ATOM 0 HB2 ASP A 50 1.548 -1.184 -14.839 1.00 50.34 H new ATOM 0 HB3 ASP A 50 1.840 -2.812 -15.419 1.00 50.34 H new ATOM 753 N ARG A 51 2.243 -3.990 -12.553 1.00 63.41 N ATOM 754 CA ARG A 51 2.981 -5.190 -12.176 1.00 1.51 C ATOM 755 C ARG A 51 2.840 -5.468 -10.683 1.00 43.11 C ATOM 756 O ARG A 51 2.774 -6.622 -10.259 1.00 40.02 O ATOM 757 CB ARG A 51 4.459 -5.041 -12.541 1.00 44.32 C ATOM 758 CG ARG A 51 5.058 -3.707 -12.125 1.00 71.41 C ATOM 759 CD ARG A 51 4.905 -2.663 -13.220 1.00 54.31 C ATOM 760 NE ARG A 51 6.192 -2.263 -13.780 1.00 4.13 N ATOM 761 CZ ARG A 51 7.105 -1.572 -13.105 1.00 51.41 C ATOM 762 NH1 ARG A 51 6.871 -1.205 -11.852 1.00 21.31 N ATOM 763 NH2 ARG A 51 8.253 -1.246 -13.683 1.00 4.42 N ATOM 0 H ARG A 51 2.580 -3.132 -12.116 1.00 63.41 H new ATOM 0 HA ARG A 51 2.561 -6.032 -12.726 1.00 1.51 H new ATOM 0 HB2 ARG A 51 5.024 -5.846 -12.070 1.00 44.32 H new ATOM 0 HB3 ARG A 51 4.572 -5.160 -13.619 1.00 44.32 H new ATOM 0 HG2 ARG A 51 4.571 -3.356 -11.215 1.00 71.41 H new ATOM 0 HG3 ARG A 51 6.114 -3.838 -11.891 1.00 71.41 H new ATOM 0 HD2 ARG A 51 4.272 -3.061 -14.014 1.00 54.31 H new ATOM 0 HD3 ARG A 51 4.397 -1.787 -12.817 1.00 54.31 H new ATOM 0 HE ARG A 51 6.402 -2.528 -14.742 1.00 4.13 H new ATOM 0 HH11 ARG A 51 5.989 -1.453 -11.404 1.00 21.31 H new ATOM 0 HH12 ARG A 51 7.573 -0.675 -11.336 1.00 21.31 H new ATOM 0 HH21 ARG A 51 8.436 -1.526 -14.647 1.00 4.42 H new ATOM 0 HH22 ARG A 51 8.953 -0.716 -13.164 1.00 4.42 H new ATOM 777 N PHE A 52 2.795 -4.403 -9.889 1.00 41.23 N ATOM 778 CA PHE A 52 2.663 -4.532 -8.443 1.00 44.50 C ATOM 779 C PHE A 52 1.486 -5.432 -8.082 1.00 1.41 C ATOM 780 O PHE A 52 0.679 -5.790 -8.940 1.00 53.33 O ATOM 781 CB PHE A 52 2.483 -3.154 -7.802 1.00 32.35 C ATOM 782 CG PHE A 52 3.748 -2.593 -7.219 1.00 72.03 C ATOM 783 CD1 PHE A 52 4.340 -3.183 -6.113 1.00 54.32 C ATOM 784 CD2 PHE A 52 4.347 -1.474 -7.777 1.00 34.23 C ATOM 785 CE1 PHE A 52 5.504 -2.669 -5.575 1.00 61.34 C ATOM 786 CE2 PHE A 52 5.511 -0.956 -7.243 1.00 2.33 C ATOM 787 CZ PHE A 52 6.090 -1.554 -6.140 1.00 50.45 C ATOM 0 H PHE A 52 2.848 -3.441 -10.223 1.00 41.23 H new ATOM 0 HA PHE A 52 3.576 -4.988 -8.059 1.00 44.50 H new ATOM 0 HB2 PHE A 52 2.099 -2.461 -8.551 1.00 32.35 H new ATOM 0 HB3 PHE A 52 1.730 -3.223 -7.017 1.00 32.35 H new ATOM 0 HD1 PHE A 52 3.886 -4.055 -5.666 1.00 54.32 H new ATOM 0 HD2 PHE A 52 3.899 -1.002 -8.639 1.00 34.23 H new ATOM 0 HE1 PHE A 52 5.955 -3.139 -4.713 1.00 61.34 H new ATOM 0 HE2 PHE A 52 5.968 -0.084 -7.687 1.00 2.33 H new ATOM 0 HZ PHE A 52 6.999 -1.150 -5.721 1.00 50.45 H new ATOM 797 N ASP A 53 1.395 -5.795 -6.807 1.00 44.52 N ATOM 798 CA ASP A 53 0.317 -6.653 -6.332 1.00 32.33 C ATOM 799 C ASP A 53 -0.793 -5.826 -5.691 1.00 70.22 C ATOM 800 O ASP A 53 -1.858 -5.636 -6.278 1.00 21.32 O ATOM 801 CB ASP A 53 0.854 -7.673 -5.327 1.00 24.34 C ATOM 802 CG ASP A 53 1.864 -8.620 -5.946 1.00 15.32 C ATOM 803 OD1 ASP A 53 1.873 -8.745 -7.188 1.00 70.42 O ATOM 804 OD2 ASP A 53 2.643 -9.236 -5.189 1.00 2.30 O ATOM 0 H ASP A 53 2.055 -5.508 -6.084 1.00 44.52 H new ATOM 0 HA ASP A 53 -0.098 -7.183 -7.190 1.00 32.33 H new ATOM 0 HB2 ASP A 53 1.318 -7.147 -4.492 1.00 24.34 H new ATOM 0 HB3 ASP A 53 0.023 -8.249 -4.919 1.00 24.34 H new ATOM 809 N VAL A 54 -0.537 -5.336 -4.482 1.00 52.40 N ATOM 810 CA VAL A 54 -1.514 -4.529 -3.761 1.00 14.13 C ATOM 811 C VAL A 54 -1.083 -3.069 -3.699 1.00 53.23 C ATOM 812 O VAL A 54 0.109 -2.761 -3.707 1.00 21.30 O ATOM 813 CB VAL A 54 -1.727 -5.052 -2.328 1.00 23.40 C ATOM 814 CG1 VAL A 54 -2.884 -4.325 -1.660 1.00 11.23 C ATOM 815 CG2 VAL A 54 -1.965 -6.555 -2.338 1.00 42.23 C ATOM 0 H VAL A 54 0.339 -5.484 -3.981 1.00 52.40 H new ATOM 0 HA VAL A 54 -2.453 -4.604 -4.310 1.00 14.13 H new ATOM 0 HB VAL A 54 -0.824 -4.855 -1.751 1.00 23.40 H new ATOM 0 HG11 VAL A 54 -3.019 -4.708 -0.649 1.00 11.23 H new ATOM 0 HG12 VAL A 54 -2.667 -3.258 -1.618 1.00 11.23 H new ATOM 0 HG13 VAL A 54 -3.796 -4.488 -2.234 1.00 11.23 H new ATOM 0 HG21 VAL A 54 -2.113 -6.907 -1.317 1.00 42.23 H new ATOM 0 HG22 VAL A 54 -2.851 -6.779 -2.931 1.00 42.23 H new ATOM 0 HG23 VAL A 54 -1.101 -7.057 -2.773 1.00 42.23 H new ATOM 825 N VAL A 55 -2.061 -2.170 -3.636 1.00 62.52 N ATOM 826 CA VAL A 55 -1.783 -0.741 -3.571 1.00 41.22 C ATOM 827 C VAL A 55 -2.459 -0.103 -2.363 1.00 25.23 C ATOM 828 O VAL A 55 -3.533 -0.534 -1.940 1.00 33.20 O ATOM 829 CB VAL A 55 -2.252 -0.018 -4.848 1.00 33.30 C ATOM 830 CG1 VAL A 55 -1.852 1.448 -4.810 1.00 51.44 C ATOM 831 CG2 VAL A 55 -1.688 -0.702 -6.084 1.00 44.25 C ATOM 0 H VAL A 55 -3.053 -2.407 -3.629 1.00 62.52 H new ATOM 0 HA VAL A 55 -0.702 -0.634 -3.478 1.00 41.22 H new ATOM 0 HB VAL A 55 -3.340 -0.071 -4.896 1.00 33.30 H new ATOM 0 HG11 VAL A 55 -2.192 1.942 -5.720 1.00 51.44 H new ATOM 0 HG12 VAL A 55 -2.309 1.928 -3.945 1.00 51.44 H new ATOM 0 HG13 VAL A 55 -0.767 1.527 -4.738 1.00 51.44 H new ATOM 0 HG21 VAL A 55 -2.029 -0.179 -6.977 1.00 44.25 H new ATOM 0 HG22 VAL A 55 -0.599 -0.682 -6.046 1.00 44.25 H new ATOM 0 HG23 VAL A 55 -2.031 -1.736 -6.116 1.00 44.25 H new ATOM 841 N LEU A 56 -1.825 0.924 -1.810 1.00 23.13 N ATOM 842 CA LEU A 56 -2.365 1.623 -0.649 1.00 32.41 C ATOM 843 C LEU A 56 -2.339 3.133 -0.860 1.00 72.34 C ATOM 844 O LEU A 56 -1.380 3.678 -1.410 1.00 31.42 O ATOM 845 CB LEU A 56 -1.569 1.259 0.606 1.00 73.53 C ATOM 846 CG LEU A 56 -1.992 -0.026 1.319 1.00 14.15 C ATOM 847 CD1 LEU A 56 -0.840 -1.017 1.363 1.00 45.33 C ATOM 848 CD2 LEU A 56 -2.485 0.284 2.726 1.00 31.52 C ATOM 0 H LEU A 56 -0.935 1.292 -2.147 1.00 23.13 H new ATOM 0 HA LEU A 56 -3.401 1.311 -0.519 1.00 32.41 H new ATOM 0 HB2 LEU A 56 -0.518 1.170 0.332 1.00 73.53 H new ATOM 0 HB3 LEU A 56 -1.645 2.085 1.313 1.00 73.53 H new ATOM 0 HG LEU A 56 -2.811 -0.478 0.758 1.00 14.15 H new ATOM 0 HD11 LEU A 56 -1.160 -1.925 1.874 1.00 45.33 H new ATOM 0 HD12 LEU A 56 -0.532 -1.262 0.347 1.00 45.33 H new ATOM 0 HD13 LEU A 56 -0.000 -0.575 1.900 1.00 45.33 H new ATOM 0 HD21 LEU A 56 -2.782 -0.641 3.220 1.00 31.52 H new ATOM 0 HD22 LEU A 56 -1.686 0.758 3.295 1.00 31.52 H new ATOM 0 HD23 LEU A 56 -3.341 0.957 2.672 1.00 31.52 H new ATOM 860 N LEU A 57 -3.396 3.805 -0.420 1.00 55.24 N ATOM 861 CA LEU A 57 -3.494 5.254 -0.560 1.00 34.43 C ATOM 862 C LEU A 57 -3.395 5.939 0.799 1.00 15.25 C ATOM 863 O LEU A 57 -3.891 5.426 1.803 1.00 42.35 O ATOM 864 CB LEU A 57 -4.812 5.633 -1.239 1.00 61.23 C ATOM 865 CG LEU A 57 -5.162 7.121 -1.241 1.00 32.10 C ATOM 866 CD1 LEU A 57 -4.204 7.894 -2.133 1.00 13.32 C ATOM 867 CD2 LEU A 57 -6.601 7.329 -1.693 1.00 5.21 C ATOM 0 H LEU A 57 -4.198 3.370 0.037 1.00 55.24 H new ATOM 0 HA LEU A 57 -2.663 5.592 -1.179 1.00 34.43 H new ATOM 0 HB2 LEU A 57 -4.778 5.287 -2.272 1.00 61.23 H new ATOM 0 HB3 LEU A 57 -5.620 5.091 -0.748 1.00 61.23 H new ATOM 0 HG LEU A 57 -5.063 7.500 -0.224 1.00 32.10 H new ATOM 0 HD11 LEU A 57 -4.469 8.951 -2.122 1.00 13.32 H new ATOM 0 HD12 LEU A 57 -3.185 7.771 -1.765 1.00 13.32 H new ATOM 0 HD13 LEU A 57 -4.270 7.514 -3.153 1.00 13.32 H new ATOM 0 HD21 LEU A 57 -6.833 8.394 -1.689 1.00 5.21 H new ATOM 0 HD22 LEU A 57 -6.726 6.934 -2.701 1.00 5.21 H new ATOM 0 HD23 LEU A 57 -7.275 6.808 -1.013 1.00 5.21 H new ATOM 879 N ALA A 58 -2.754 7.103 0.824 1.00 0.32 N ATOM 880 CA ALA A 58 -2.593 7.861 2.058 1.00 34.44 C ATOM 881 C ALA A 58 -3.822 8.719 2.339 1.00 24.42 C ATOM 882 O ALA A 58 -4.622 9.009 1.451 1.00 74.21 O ATOM 883 CB ALA A 58 -1.346 8.729 1.986 1.00 3.34 C ATOM 0 H ALA A 58 -2.338 7.542 0.003 1.00 0.32 H new ATOM 0 HA ALA A 58 -2.481 7.152 2.879 1.00 34.44 H new ATOM 0 HB1 ALA A 58 -1.239 9.289 2.915 1.00 3.34 H new ATOM 0 HB2 ALA A 58 -0.470 8.096 1.841 1.00 3.34 H new ATOM 0 HB3 ALA A 58 -1.434 9.424 1.151 1.00 3.34 H new ATOM 889 N PRO A 59 -3.978 9.134 3.606 1.00 44.05 N ATOM 890 CA PRO A 59 -5.107 9.965 4.033 1.00 50.15 C ATOM 891 C PRO A 59 -5.030 11.381 3.474 1.00 12.40 C ATOM 892 O PRO A 59 -6.021 12.111 3.469 1.00 51.32 O ATOM 893 CB PRO A 59 -4.976 9.984 5.557 1.00 14.24 C ATOM 894 CG PRO A 59 -3.531 9.737 5.818 1.00 72.14 C ATOM 895 CD PRO A 59 -3.062 8.826 4.716 1.00 1.25 C ATOM 0 HA PRO A 59 -6.059 9.572 3.678 1.00 50.15 H new ATOM 0 HB2 PRO A 59 -5.294 10.941 5.969 1.00 14.24 H new ATOM 0 HB3 PRO A 59 -5.598 9.216 6.017 1.00 14.24 H new ATOM 0 HG2 PRO A 59 -2.969 10.671 5.818 1.00 72.14 H new ATOM 0 HG3 PRO A 59 -3.384 9.276 6.795 1.00 72.14 H new ATOM 0 HD2 PRO A 59 -2.024 9.022 4.447 1.00 1.25 H new ATOM 0 HD3 PRO A 59 -3.123 7.778 5.008 1.00 1.25 H new ATOM 903 N GLN A 60 -3.847 11.763 3.003 1.00 11.31 N ATOM 904 CA GLN A 60 -3.641 13.093 2.443 1.00 44.12 C ATOM 905 C GLN A 60 -3.972 13.113 0.954 1.00 23.43 C ATOM 906 O GLN A 60 -3.096 12.919 0.110 1.00 34.41 O ATOM 907 CB GLN A 60 -2.196 13.544 2.661 1.00 3.23 C ATOM 908 CG GLN A 60 -2.048 14.609 3.736 1.00 1.42 C ATOM 909 CD GLN A 60 -0.629 14.715 4.262 1.00 75.41 C ATOM 910 OE1 GLN A 60 0.269 14.009 3.802 1.00 43.41 O ATOM 911 NE2 GLN A 60 -0.421 15.599 5.231 1.00 60.53 N ATOM 0 H GLN A 60 -3.017 11.170 2.998 1.00 11.31 H new ATOM 0 HA GLN A 60 -4.311 13.783 2.956 1.00 44.12 H new ATOM 0 HB2 GLN A 60 -1.591 12.679 2.932 1.00 3.23 H new ATOM 0 HB3 GLN A 60 -1.799 13.929 1.722 1.00 3.23 H new ATOM 0 HG2 GLN A 60 -2.354 15.574 3.331 1.00 1.42 H new ATOM 0 HG3 GLN A 60 -2.722 14.382 4.562 1.00 1.42 H new ATOM 0 HE21 GLN A 60 -1.195 16.163 5.582 1.00 60.53 H new ATOM 0 HE22 GLN A 60 0.513 15.714 5.625 1.00 60.53 H new ATOM 920 N SER A 61 -5.241 13.349 0.638 1.00 33.41 N ATOM 921 CA SER A 61 -5.689 13.389 -0.749 1.00 50.33 C ATOM 922 C SER A 61 -7.181 13.700 -0.830 1.00 54.00 C ATOM 923 O SER A 61 -8.007 12.981 -0.267 1.00 35.10 O ATOM 924 CB SER A 61 -5.396 12.057 -1.441 1.00 51.30 C ATOM 925 OG SER A 61 -5.229 11.016 -0.494 1.00 62.01 O ATOM 0 H SER A 61 -5.977 13.515 1.324 1.00 33.41 H new ATOM 0 HA SER A 61 -5.142 14.183 -1.258 1.00 50.33 H new ATOM 0 HB2 SER A 61 -6.213 11.809 -2.119 1.00 51.30 H new ATOM 0 HB3 SER A 61 -4.495 12.149 -2.047 1.00 51.30 H new ATOM 0 HG SER A 61 -5.790 10.253 -0.745 1.00 62.01 H new ATOM 931 N ARG A 62 -7.517 14.776 -1.533 1.00 35.32 N ATOM 932 CA ARG A 62 -8.909 15.184 -1.687 1.00 72.41 C ATOM 933 C ARG A 62 -9.524 14.557 -2.935 1.00 52.04 C ATOM 934 O ARG A 62 -10.433 13.731 -2.844 1.00 63.45 O ATOM 935 CB ARG A 62 -9.010 16.708 -1.766 1.00 0.24 C ATOM 936 CG ARG A 62 -8.912 17.395 -0.413 1.00 51.53 C ATOM 937 CD ARG A 62 -9.640 18.730 -0.413 1.00 52.22 C ATOM 938 NE ARG A 62 -8.797 19.813 0.089 1.00 15.03 N ATOM 939 CZ ARG A 62 -7.862 20.413 -0.638 1.00 22.11 C ATOM 940 NH1 ARG A 62 -7.650 20.039 -1.892 1.00 12.40 N ATOM 941 NH2 ARG A 62 -7.136 21.391 -0.111 1.00 1.21 N ATOM 0 H ARG A 62 -6.845 15.381 -2.005 1.00 35.32 H new ATOM 0 HA ARG A 62 -9.463 14.835 -0.815 1.00 72.41 H new ATOM 0 HB2 ARG A 62 -8.217 17.083 -2.413 1.00 0.24 H new ATOM 0 HB3 ARG A 62 -9.957 16.977 -2.233 1.00 0.24 H new ATOM 0 HG2 ARG A 62 -9.335 16.749 0.356 1.00 51.53 H new ATOM 0 HG3 ARG A 62 -7.864 17.551 -0.158 1.00 51.53 H new ATOM 0 HD2 ARG A 62 -9.967 18.965 -1.426 1.00 52.22 H new ATOM 0 HD3 ARG A 62 -10.537 18.654 0.202 1.00 52.22 H new ATOM 0 HE ARG A 62 -8.934 20.125 1.050 1.00 15.03 H new ATOM 0 HH11 ARG A 62 -8.206 19.288 -2.301 1.00 12.40 H new ATOM 0 HH12 ARG A 62 -6.931 20.502 -2.448 1.00 12.40 H new ATOM 0 HH21 ARG A 62 -7.296 21.682 0.853 1.00 1.21 H new ATOM 0 HH22 ARG A 62 -6.418 21.851 -0.670 1.00 1.21 H new ATOM 955 N PHE A 63 -9.024 14.957 -4.100 1.00 13.03 N ATOM 956 CA PHE A 63 -9.525 14.437 -5.366 1.00 21.14 C ATOM 957 C PHE A 63 -8.822 13.133 -5.735 1.00 35.05 C ATOM 958 O PHE A 63 -9.386 12.285 -6.425 1.00 55.20 O ATOM 959 CB PHE A 63 -9.329 15.468 -6.479 1.00 3.01 C ATOM 960 CG PHE A 63 -10.086 16.745 -6.254 1.00 20.11 C ATOM 961 CD1 PHE A 63 -11.399 16.871 -6.678 1.00 50.43 C ATOM 962 CD2 PHE A 63 -9.485 17.819 -5.617 1.00 32.21 C ATOM 963 CE1 PHE A 63 -12.097 18.046 -6.473 1.00 75.21 C ATOM 964 CE2 PHE A 63 -10.179 18.996 -5.408 1.00 70.24 C ATOM 965 CZ PHE A 63 -11.488 19.109 -5.836 1.00 33.12 C ATOM 0 H PHE A 63 -8.272 15.640 -4.193 1.00 13.03 H new ATOM 0 HA PHE A 63 -10.590 14.235 -5.251 1.00 21.14 H new ATOM 0 HB2 PHE A 63 -8.267 15.696 -6.569 1.00 3.01 H new ATOM 0 HB3 PHE A 63 -9.643 15.031 -7.427 1.00 3.01 H new ATOM 0 HD1 PHE A 63 -11.882 16.042 -7.174 1.00 50.43 H new ATOM 0 HD2 PHE A 63 -8.462 17.735 -5.280 1.00 32.21 H new ATOM 0 HE1 PHE A 63 -13.119 18.133 -6.811 1.00 75.21 H new ATOM 0 HE2 PHE A 63 -9.699 19.826 -4.911 1.00 70.24 H new ATOM 0 HZ PHE A 63 -12.034 20.027 -5.673 1.00 33.12 H new ATOM 975 N ASN A 64 -7.586 12.982 -5.269 1.00 13.32 N ATOM 976 CA ASN A 64 -6.806 11.783 -5.550 1.00 2.30 C ATOM 977 C ASN A 64 -7.591 10.526 -5.190 1.00 64.31 C ATOM 978 O ASN A 64 -7.721 9.608 -6.000 1.00 40.05 O ATOM 979 CB ASN A 64 -5.487 11.814 -4.773 1.00 54.34 C ATOM 980 CG ASN A 64 -4.278 11.743 -5.685 1.00 43.33 C ATOM 981 OD1 ASN A 64 -3.415 10.762 -5.448 1.00 40.33 O flip ATOM 982 ND2 ASN A 64 -4.121 12.560 -6.592 1.00 2.55 N flip ATOM 0 H ASN A 64 -7.104 13.675 -4.696 1.00 13.32 H new ATOM 0 HA ASN A 64 -6.591 11.762 -6.618 1.00 2.30 H new ATOM 0 HB2 ASN A 64 -5.439 12.728 -4.180 1.00 54.34 H new ATOM 0 HB3 ASN A 64 -5.461 10.979 -4.073 1.00 54.34 H new ATOM 0 HD21 ASN A 64 -4.810 13.298 -6.738 1.00 2.55 H new ATOM 0 HD22 ASN A 64 -3.302 12.499 -7.197 1.00 2.55 H new ATOM 989 N LYS A 65 -8.112 10.489 -3.969 1.00 21.11 N ATOM 990 CA LYS A 65 -8.886 9.346 -3.500 1.00 61.04 C ATOM 991 C LYS A 65 -10.101 9.109 -4.392 1.00 24.11 C ATOM 992 O LYS A 65 -10.405 7.972 -4.755 1.00 45.13 O ATOM 993 CB LYS A 65 -9.337 9.568 -2.055 1.00 34.32 C ATOM 994 CG LYS A 65 -10.107 10.861 -1.849 1.00 54.40 C ATOM 995 CD LYS A 65 -10.301 11.166 -0.373 1.00 42.12 C ATOM 996 CE LYS A 65 -11.442 10.352 0.219 1.00 54.35 C ATOM 997 NZ LYS A 65 -12.164 11.103 1.283 1.00 3.40 N ATOM 0 H LYS A 65 -8.012 11.239 -3.285 1.00 21.11 H new ATOM 0 HA LYS A 65 -8.247 8.464 -3.544 1.00 61.04 H new ATOM 0 HB2 LYS A 65 -9.962 8.730 -1.746 1.00 34.32 H new ATOM 0 HB3 LYS A 65 -8.461 9.569 -1.406 1.00 34.32 H new ATOM 0 HG2 LYS A 65 -9.572 11.683 -2.324 1.00 54.40 H new ATOM 0 HG3 LYS A 65 -11.079 10.788 -2.337 1.00 54.40 H new ATOM 0 HD2 LYS A 65 -9.380 10.951 0.168 1.00 42.12 H new ATOM 0 HD3 LYS A 65 -10.506 12.229 -0.244 1.00 42.12 H new ATOM 0 HE2 LYS A 65 -12.141 10.079 -0.571 1.00 54.35 H new ATOM 0 HE3 LYS A 65 -11.049 9.423 0.633 1.00 54.35 H new ATOM 0 HZ1 LYS A 65 -12.934 10.515 1.661 1.00 3.40 H new ATOM 0 HZ2 LYS A 65 -11.502 11.342 2.049 1.00 3.40 H new ATOM 0 HZ3 LYS A 65 -12.561 11.977 0.883 1.00 3.40 H new ATOM 1011 N LYS A 66 -10.790 10.189 -4.743 1.00 73.33 N ATOM 1012 CA LYS A 66 -11.970 10.099 -5.596 1.00 15.21 C ATOM 1013 C LYS A 66 -11.644 9.381 -6.902 1.00 13.41 C ATOM 1014 O LYS A 66 -12.288 8.393 -7.255 1.00 20.22 O ATOM 1015 CB LYS A 66 -12.517 11.497 -5.894 1.00 1.25 C ATOM 1016 CG LYS A 66 -14.020 11.613 -5.711 1.00 14.22 C ATOM 1017 CD LYS A 66 -14.595 12.758 -6.529 1.00 52.04 C ATOM 1018 CE LYS A 66 -15.696 12.278 -7.463 1.00 2.15 C ATOM 1019 NZ LYS A 66 -16.192 13.372 -8.344 1.00 1.13 N ATOM 0 H LYS A 66 -10.552 11.137 -4.450 1.00 73.33 H new ATOM 0 HA LYS A 66 -12.728 9.524 -5.065 1.00 15.21 H new ATOM 0 HB2 LYS A 66 -12.023 12.218 -5.242 1.00 1.25 H new ATOM 0 HB3 LYS A 66 -12.262 11.767 -6.919 1.00 1.25 H new ATOM 0 HG2 LYS A 66 -14.497 10.678 -6.007 1.00 14.22 H new ATOM 0 HG3 LYS A 66 -14.248 11.768 -4.656 1.00 14.22 H new ATOM 0 HD2 LYS A 66 -14.991 13.522 -5.860 1.00 52.04 H new ATOM 0 HD3 LYS A 66 -13.801 13.226 -7.111 1.00 52.04 H new ATOM 0 HE2 LYS A 66 -15.320 11.459 -8.077 1.00 2.15 H new ATOM 0 HE3 LYS A 66 -16.524 11.882 -6.875 1.00 2.15 H new ATOM 0 HZ1 LYS A 66 -16.941 13.005 -8.965 1.00 1.13 H new ATOM 0 HZ2 LYS A 66 -16.574 14.143 -7.759 1.00 1.13 H new ATOM 0 HZ3 LYS A 66 -15.408 13.733 -8.924 1.00 1.13 H new ATOM 1033 N ARG A 67 -10.642 9.883 -7.614 1.00 44.22 N ATOM 1034 CA ARG A 67 -10.231 9.289 -8.881 1.00 11.53 C ATOM 1035 C ARG A 67 -9.737 7.861 -8.676 1.00 61.10 C ATOM 1036 O ARG A 67 -10.152 6.941 -9.383 1.00 34.23 O ATOM 1037 CB ARG A 67 -9.132 10.132 -9.531 1.00 61.42 C ATOM 1038 CG ARG A 67 -9.646 11.084 -10.599 1.00 75.30 C ATOM 1039 CD ARG A 67 -8.503 11.764 -11.336 1.00 41.32 C ATOM 1040 NE ARG A 67 -8.046 12.967 -10.645 1.00 43.34 N ATOM 1041 CZ ARG A 67 -6.917 13.601 -10.943 1.00 54.25 C ATOM 1042 NH1 ARG A 67 -6.136 13.150 -11.914 1.00 52.33 N ATOM 1043 NH2 ARG A 67 -6.570 14.690 -10.269 1.00 43.01 N ATOM 0 H ARG A 67 -10.099 10.700 -7.336 1.00 44.22 H new ATOM 0 HA ARG A 67 -11.098 9.264 -9.541 1.00 11.53 H new ATOM 0 HB2 ARG A 67 -8.622 10.707 -8.758 1.00 61.42 H new ATOM 0 HB3 ARG A 67 -8.391 9.468 -9.975 1.00 61.42 H new ATOM 0 HG2 ARG A 67 -10.264 10.535 -11.310 1.00 75.30 H new ATOM 0 HG3 ARG A 67 -10.284 11.839 -10.139 1.00 75.30 H new ATOM 0 HD2 ARG A 67 -7.672 11.067 -11.438 1.00 41.32 H new ATOM 0 HD3 ARG A 67 -8.826 12.025 -12.344 1.00 41.32 H new ATOM 0 HE ARG A 67 -8.625 13.341 -9.893 1.00 43.34 H new ATOM 0 HH11 ARG A 67 -6.401 12.314 -12.435 1.00 52.33 H new ATOM 0 HH12 ARG A 67 -5.270 13.639 -12.140 1.00 52.33 H new ATOM 0 HH21 ARG A 67 -7.170 15.040 -9.522 1.00 43.01 H new ATOM 0 HH22 ARG A 67 -5.703 15.177 -10.498 1.00 43.01 H new ATOM 1057 N LEU A 68 -8.848 7.681 -7.705 1.00 74.04 N ATOM 1058 CA LEU A 68 -8.297 6.364 -7.407 1.00 72.35 C ATOM 1059 C LEU A 68 -9.409 5.337 -7.219 1.00 73.31 C ATOM 1060 O LEU A 68 -9.297 4.197 -7.670 1.00 52.41 O ATOM 1061 CB LEU A 68 -7.427 6.425 -6.151 1.00 12.42 C ATOM 1062 CG LEU A 68 -5.916 6.429 -6.380 1.00 24.03 C ATOM 1063 CD1 LEU A 68 -5.186 6.879 -5.123 1.00 30.41 C ATOM 1064 CD2 LEU A 68 -5.438 5.050 -6.811 1.00 64.12 C ATOM 0 H LEU A 68 -8.494 8.431 -7.111 1.00 74.04 H new ATOM 0 HA LEU A 68 -7.682 6.056 -8.253 1.00 72.35 H new ATOM 0 HB2 LEU A 68 -7.692 7.323 -5.593 1.00 12.42 H new ATOM 0 HB3 LEU A 68 -7.676 5.572 -5.519 1.00 12.42 H new ATOM 0 HG LEU A 68 -5.691 7.136 -7.179 1.00 24.03 H new ATOM 0 HD11 LEU A 68 -4.111 6.875 -5.305 1.00 30.41 H new ATOM 0 HD12 LEU A 68 -5.506 7.887 -4.858 1.00 30.41 H new ATOM 0 HD13 LEU A 68 -5.417 6.198 -4.304 1.00 30.41 H new ATOM 0 HD21 LEU A 68 -4.360 5.072 -6.970 1.00 64.12 H new ATOM 0 HD22 LEU A 68 -5.676 4.323 -6.034 1.00 64.12 H new ATOM 0 HD23 LEU A 68 -5.935 4.766 -7.738 1.00 64.12 H new ATOM 1076 N GLU A 69 -10.483 5.751 -6.554 1.00 74.13 N ATOM 1077 CA GLU A 69 -11.617 4.867 -6.308 1.00 65.41 C ATOM 1078 C GLU A 69 -12.402 4.619 -7.593 1.00 64.55 C ATOM 1079 O GLU A 69 -12.782 3.487 -7.891 1.00 61.42 O ATOM 1080 CB GLU A 69 -12.538 5.465 -5.243 1.00 4.11 C ATOM 1081 CG GLU A 69 -11.878 5.612 -3.882 1.00 15.42 C ATOM 1082 CD GLU A 69 -12.490 6.726 -3.055 1.00 24.20 C ATOM 1083 OE1 GLU A 69 -12.934 7.732 -3.649 1.00 33.41 O ATOM 1084 OE2 GLU A 69 -12.525 6.593 -1.814 1.00 64.31 O ATOM 0 H GLU A 69 -10.592 6.692 -6.176 1.00 74.13 H new ATOM 0 HA GLU A 69 -11.230 3.914 -5.949 1.00 65.41 H new ATOM 0 HB2 GLU A 69 -12.881 6.444 -5.579 1.00 4.11 H new ATOM 0 HB3 GLU A 69 -13.422 4.835 -5.143 1.00 4.11 H new ATOM 0 HG2 GLU A 69 -11.963 4.672 -3.338 1.00 15.42 H new ATOM 0 HG3 GLU A 69 -10.814 5.807 -4.017 1.00 15.42 H new ATOM 1091 N GLU A 70 -12.639 5.686 -8.350 1.00 73.41 N ATOM 1092 CA GLU A 70 -13.380 5.584 -9.602 1.00 51.31 C ATOM 1093 C GLU A 70 -12.593 4.784 -10.637 1.00 13.14 C ATOM 1094 O GLU A 70 -13.157 4.288 -11.612 1.00 23.43 O ATOM 1095 CB GLU A 70 -13.694 6.978 -10.149 1.00 23.31 C ATOM 1096 CG GLU A 70 -14.514 7.834 -9.199 1.00 74.11 C ATOM 1097 CD GLU A 70 -16.006 7.706 -9.438 1.00 35.21 C ATOM 1098 OE1 GLU A 70 -16.507 6.561 -9.457 1.00 12.43 O ATOM 1099 OE2 GLU A 70 -16.672 8.747 -9.607 1.00 54.54 O ATOM 0 H GLU A 70 -12.329 6.630 -8.118 1.00 73.41 H new ATOM 0 HA GLU A 70 -14.315 5.062 -9.400 1.00 51.31 H new ATOM 0 HB2 GLU A 70 -12.758 7.491 -10.371 1.00 23.31 H new ATOM 0 HB3 GLU A 70 -14.233 6.877 -11.091 1.00 23.31 H new ATOM 0 HG2 GLU A 70 -14.289 7.548 -8.172 1.00 74.11 H new ATOM 0 HG3 GLU A 70 -14.220 8.878 -9.311 1.00 74.11 H new ATOM 1106 N ILE A 71 -11.288 4.667 -10.415 1.00 64.14 N ATOM 1107 CA ILE A 71 -10.423 3.928 -11.328 1.00 14.33 C ATOM 1108 C ILE A 71 -10.218 2.495 -10.851 1.00 24.53 C ATOM 1109 O ILE A 71 -10.214 1.556 -11.649 1.00 11.43 O ATOM 1110 CB ILE A 71 -9.050 4.610 -11.478 1.00 35.44 C ATOM 1111 CG1 ILE A 71 -9.217 6.032 -12.016 1.00 74.31 C ATOM 1112 CG2 ILE A 71 -8.151 3.792 -12.394 1.00 1.44 C ATOM 1113 CD1 ILE A 71 -8.086 6.960 -11.632 1.00 73.15 C ATOM 0 H ILE A 71 -10.807 5.073 -9.613 1.00 64.14 H new ATOM 0 HA ILE A 71 -10.922 3.917 -12.297 1.00 14.33 H new ATOM 0 HB ILE A 71 -8.580 4.668 -10.496 1.00 35.44 H new ATOM 0 HG12 ILE A 71 -9.292 5.994 -13.103 1.00 74.31 H new ATOM 0 HG13 ILE A 71 -10.156 6.444 -11.646 1.00 74.31 H new ATOM 0 HG21 ILE A 71 -7.184 4.286 -12.491 1.00 1.44 H new ATOM 0 HG22 ILE A 71 -8.010 2.797 -11.971 1.00 1.44 H new ATOM 0 HG23 ILE A 71 -8.615 3.706 -13.377 1.00 1.44 H new ATOM 0 HD11 ILE A 71 -8.271 7.951 -12.048 1.00 73.15 H new ATOM 0 HD12 ILE A 71 -8.024 7.028 -10.546 1.00 73.15 H new ATOM 0 HD13 ILE A 71 -7.147 6.571 -12.025 1.00 73.15 H new ATOM 1125 N THR A 72 -10.049 2.331 -9.542 1.00 31.43 N ATOM 1126 CA THR A 72 -9.843 1.012 -8.957 1.00 75.55 C ATOM 1127 C THR A 72 -11.102 0.158 -9.071 1.00 63.12 C ATOM 1128 O THR A 72 -11.026 -1.053 -9.283 1.00 31.35 O ATOM 1129 CB THR A 72 -9.438 1.111 -7.475 1.00 40.11 C ATOM 1130 OG1 THR A 72 -10.333 1.985 -6.779 1.00 41.41 O ATOM 1131 CG2 THR A 72 -8.011 1.623 -7.338 1.00 31.43 C ATOM 0 H THR A 72 -10.051 3.096 -8.867 1.00 31.43 H new ATOM 0 HA THR A 72 -9.034 0.541 -9.516 1.00 75.55 H new ATOM 0 HB THR A 72 -9.494 0.114 -7.038 1.00 40.11 H new ATOM 0 HG1 THR A 72 -9.909 2.860 -6.660 1.00 41.41 H new ATOM 0 HG21 THR A 72 -7.746 1.685 -6.282 1.00 31.43 H new ATOM 0 HG22 THR A 72 -7.329 0.939 -7.844 1.00 31.43 H new ATOM 0 HG23 THR A 72 -7.934 2.612 -7.790 1.00 31.43 H new ATOM 1139 N LYS A 73 -12.258 0.795 -8.932 1.00 55.34 N ATOM 1140 CA LYS A 73 -13.535 0.095 -9.021 1.00 44.44 C ATOM 1141 C LYS A 73 -13.611 -0.735 -10.299 1.00 21.45 C ATOM 1142 O LYS A 73 -13.745 -1.959 -10.264 1.00 5.40 O ATOM 1143 CB LYS A 73 -14.692 1.096 -8.980 1.00 73.25 C ATOM 1144 CG LYS A 73 -15.519 1.018 -7.709 1.00 52.30 C ATOM 1145 CD LYS A 73 -16.147 2.359 -7.369 1.00 41.52 C ATOM 1146 CE LYS A 73 -17.534 2.189 -6.769 1.00 0.53 C ATOM 1147 NZ LYS A 73 -18.608 2.435 -7.771 1.00 64.13 N ATOM 0 H LYS A 73 -12.338 1.797 -8.757 1.00 55.34 H new ATOM 0 HA LYS A 73 -13.614 -0.577 -8.167 1.00 44.44 H new ATOM 0 HB2 LYS A 73 -14.292 2.105 -9.082 1.00 73.25 H new ATOM 0 HB3 LYS A 73 -15.342 0.923 -9.838 1.00 73.25 H new ATOM 0 HG2 LYS A 73 -16.302 0.269 -7.828 1.00 52.30 H new ATOM 0 HG3 LYS A 73 -14.888 0.691 -6.883 1.00 52.30 H new ATOM 0 HD2 LYS A 73 -15.508 2.893 -6.666 1.00 41.52 H new ATOM 0 HD3 LYS A 73 -16.211 2.970 -8.269 1.00 41.52 H new ATOM 0 HE2 LYS A 73 -17.635 1.180 -6.369 1.00 0.53 H new ATOM 0 HE3 LYS A 73 -17.654 2.877 -5.932 1.00 0.53 H new ATOM 0 HZ1 LYS A 73 -19.537 2.309 -7.322 1.00 64.13 H new ATOM 0 HZ2 LYS A 73 -18.528 3.406 -8.134 1.00 64.13 H new ATOM 0 HZ3 LYS A 73 -18.510 1.762 -8.558 1.00 64.13 H new ATOM 1161 N PRO A 74 -13.524 -0.057 -11.452 1.00 60.21 N ATOM 1162 CA PRO A 74 -13.578 -0.714 -12.762 1.00 55.23 C ATOM 1163 C PRO A 74 -12.334 -1.549 -13.044 1.00 73.03 C ATOM 1164 O PRO A 74 -12.415 -2.617 -13.651 1.00 33.43 O ATOM 1165 CB PRO A 74 -13.670 0.458 -13.743 1.00 20.21 C ATOM 1166 CG PRO A 74 -13.045 1.603 -13.024 1.00 1.01 C ATOM 1167 CD PRO A 74 -13.363 1.402 -11.568 1.00 52.21 C ATOM 0 HA PRO A 74 -14.411 -1.414 -12.833 1.00 55.23 H new ATOM 0 HB2 PRO A 74 -13.144 0.239 -14.672 1.00 20.21 H new ATOM 0 HB3 PRO A 74 -14.705 0.674 -14.006 1.00 20.21 H new ATOM 0 HG2 PRO A 74 -11.968 1.626 -13.188 1.00 1.01 H new ATOM 0 HG3 PRO A 74 -13.442 2.553 -13.383 1.00 1.01 H new ATOM 0 HD2 PRO A 74 -12.562 1.770 -10.927 1.00 52.21 H new ATOM 0 HD3 PRO A 74 -14.271 1.931 -11.278 1.00 52.21 H new ATOM 1175 N LYS A 75 -11.183 -1.056 -12.600 1.00 64.22 N ATOM 1176 CA LYS A 75 -9.921 -1.757 -12.804 1.00 20.41 C ATOM 1177 C LYS A 75 -9.908 -3.085 -12.053 1.00 14.24 C ATOM 1178 O LYS A 75 -9.189 -4.011 -12.422 1.00 73.20 O ATOM 1179 CB LYS A 75 -8.750 -0.887 -12.341 1.00 73.14 C ATOM 1180 CG LYS A 75 -8.338 0.167 -13.354 1.00 43.44 C ATOM 1181 CD LYS A 75 -7.214 -0.329 -14.249 1.00 62.30 C ATOM 1182 CE LYS A 75 -6.926 0.651 -15.376 1.00 61.33 C ATOM 1183 NZ LYS A 75 -5.647 0.335 -16.071 1.00 40.34 N ATOM 0 H LYS A 75 -11.098 -0.173 -12.096 1.00 64.22 H new ATOM 0 HA LYS A 75 -9.816 -1.961 -13.870 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -9.021 -0.395 -11.407 1.00 73.14 H new ATOM 0 HB3 LYS A 75 -7.894 -1.528 -12.127 1.00 73.14 H new ATOM 0 HG2 LYS A 75 -9.198 0.441 -13.966 1.00 43.44 H new ATOM 0 HG3 LYS A 75 -8.018 1.069 -12.832 1.00 43.44 H new ATOM 0 HD2 LYS A 75 -6.312 -0.477 -13.655 1.00 62.30 H new ATOM 0 HD3 LYS A 75 -7.482 -1.299 -14.668 1.00 62.30 H new ATOM 0 HE2 LYS A 75 -7.745 0.629 -16.095 1.00 61.33 H new ATOM 0 HE3 LYS A 75 -6.881 1.663 -14.975 1.00 61.33 H new ATOM 0 HZ1 LYS A 75 -5.486 1.025 -16.832 1.00 40.34 H new ATOM 0 HZ2 LYS A 75 -4.862 0.381 -15.391 1.00 40.34 H new ATOM 0 HZ3 LYS A 75 -5.699 -0.621 -16.476 1.00 40.34 H new ATOM 1197 N GLY A 76 -10.712 -3.170 -10.996 1.00 53.54 N ATOM 1198 CA GLY A 76 -10.779 -4.388 -10.212 1.00 34.43 C ATOM 1199 C GLY A 76 -9.427 -4.803 -9.668 1.00 31.12 C ATOM 1200 O GLY A 76 -8.905 -5.860 -10.025 1.00 33.24 O ATOM 0 H GLY A 76 -11.317 -2.417 -10.670 1.00 53.54 H new ATOM 0 HA2 GLY A 76 -11.472 -4.245 -9.383 1.00 34.43 H new ATOM 0 HA3 GLY A 76 -11.181 -5.192 -10.829 1.00 34.43 H new ATOM 1204 N ILE A 77 -8.857 -3.969 -8.806 1.00 24.45 N ATOM 1205 CA ILE A 77 -7.555 -4.255 -8.213 1.00 34.22 C ATOM 1206 C ILE A 77 -7.582 -4.049 -6.702 1.00 41.02 C ATOM 1207 O ILE A 77 -8.380 -3.276 -6.170 1.00 22.32 O ATOM 1208 CB ILE A 77 -6.452 -3.369 -8.822 1.00 70.41 C ATOM 1209 CG1 ILE A 77 -6.860 -1.896 -8.761 1.00 5.22 C ATOM 1210 CG2 ILE A 77 -6.170 -3.788 -10.258 1.00 2.25 C ATOM 1211 CD1 ILE A 77 -5.889 -1.033 -7.985 1.00 20.34 C ATOM 0 H ILE A 77 -9.275 -3.090 -8.502 1.00 24.45 H new ATOM 0 HA ILE A 77 -7.331 -5.299 -8.431 1.00 34.22 H new ATOM 0 HB ILE A 77 -5.539 -3.498 -8.240 1.00 70.41 H new ATOM 0 HG12 ILE A 77 -6.947 -1.509 -9.776 1.00 5.22 H new ATOM 0 HG13 ILE A 77 -7.847 -1.819 -8.305 1.00 5.22 H new ATOM 0 HG21 ILE A 77 -5.388 -3.153 -10.675 1.00 2.25 H new ATOM 0 HG22 ILE A 77 -5.842 -4.827 -10.276 1.00 2.25 H new ATOM 0 HG23 ILE A 77 -7.078 -3.684 -10.852 1.00 2.25 H new ATOM 0 HD11 ILE A 77 -6.241 -0.001 -7.983 1.00 20.34 H new ATOM 0 HD12 ILE A 77 -5.820 -1.395 -6.959 1.00 20.34 H new ATOM 0 HD13 ILE A 77 -4.906 -1.080 -8.453 1.00 20.34 H new ATOM 1223 N PRO A 78 -6.688 -4.753 -5.994 1.00 23.25 N ATOM 1224 CA PRO A 78 -6.586 -4.662 -4.533 1.00 64.14 C ATOM 1225 C PRO A 78 -6.038 -3.317 -4.074 1.00 5.44 C ATOM 1226 O PRO A 78 -4.838 -3.057 -4.176 1.00 43.13 O ATOM 1227 CB PRO A 78 -5.612 -5.788 -4.175 1.00 73.32 C ATOM 1228 CG PRO A 78 -4.793 -5.986 -5.403 1.00 71.04 C ATOM 1229 CD PRO A 78 -5.706 -5.693 -6.561 1.00 51.31 C ATOM 0 HA PRO A 78 -7.559 -4.752 -4.049 1.00 64.14 H new ATOM 0 HB2 PRO A 78 -4.989 -5.516 -3.323 1.00 73.32 H new ATOM 0 HB3 PRO A 78 -6.144 -6.700 -3.903 1.00 73.32 H new ATOM 0 HG2 PRO A 78 -3.930 -5.320 -5.408 1.00 71.04 H new ATOM 0 HG3 PRO A 78 -4.410 -7.005 -5.456 1.00 71.04 H new ATOM 0 HD2 PRO A 78 -5.164 -5.252 -7.398 1.00 51.31 H new ATOM 0 HD3 PRO A 78 -6.185 -6.598 -6.933 1.00 51.31 H new ATOM 1237 N ILE A 79 -6.921 -2.464 -3.566 1.00 50.14 N ATOM 1238 CA ILE A 79 -6.523 -1.146 -3.089 1.00 54.11 C ATOM 1239 C ILE A 79 -7.049 -0.890 -1.680 1.00 51.30 C ATOM 1240 O ILE A 79 -8.232 -1.085 -1.404 1.00 20.24 O ATOM 1241 CB ILE A 79 -7.031 -0.032 -4.024 1.00 50.40 C ATOM 1242 CG1 ILE A 79 -6.664 1.343 -3.462 1.00 0.23 C ATOM 1243 CG2 ILE A 79 -8.536 -0.147 -4.217 1.00 0.51 C ATOM 1244 CD1 ILE A 79 -5.178 1.531 -3.247 1.00 52.54 C ATOM 0 H ILE A 79 -7.917 -2.663 -3.474 1.00 50.14 H new ATOM 0 HA ILE A 79 -5.433 -1.130 -3.077 1.00 54.11 H new ATOM 0 HB ILE A 79 -6.550 -0.147 -4.995 1.00 50.40 H new ATOM 0 HG12 ILE A 79 -7.025 2.113 -4.144 1.00 0.23 H new ATOM 0 HG13 ILE A 79 -7.181 1.489 -2.514 1.00 0.23 H new ATOM 0 HG21 ILE A 79 -8.880 0.647 -4.880 1.00 0.51 H new ATOM 0 HG22 ILE A 79 -8.773 -1.115 -4.657 1.00 0.51 H new ATOM 0 HG23 ILE A 79 -9.035 -0.055 -3.252 1.00 0.51 H new ATOM 0 HD11 ILE A 79 -4.991 2.528 -2.847 1.00 52.54 H new ATOM 0 HD12 ILE A 79 -4.815 0.783 -2.542 1.00 52.54 H new ATOM 0 HD13 ILE A 79 -4.656 1.417 -4.197 1.00 52.54 H new ATOM 1256 N GLU A 80 -6.161 -0.449 -0.794 1.00 51.22 N ATOM 1257 CA GLU A 80 -6.536 -0.165 0.586 1.00 45.51 C ATOM 1258 C GLU A 80 -6.208 1.281 0.952 1.00 63.41 C ATOM 1259 O GLU A 80 -5.459 1.956 0.246 1.00 5.44 O ATOM 1260 CB GLU A 80 -5.817 -1.120 1.540 1.00 4.21 C ATOM 1261 CG GLU A 80 -6.568 -2.419 1.781 1.00 5.42 C ATOM 1262 CD GLU A 80 -7.116 -3.021 0.502 1.00 25.42 C ATOM 1263 OE1 GLU A 80 -6.317 -3.287 -0.419 1.00 45.04 O ATOM 1264 OE2 GLU A 80 -8.345 -3.229 0.424 1.00 13.23 O ATOM 0 H GLU A 80 -5.178 -0.281 -1.007 1.00 51.22 H new ATOM 0 HA GLU A 80 -7.612 -0.311 0.681 1.00 45.51 H new ATOM 0 HB2 GLU A 80 -4.831 -1.350 1.136 1.00 4.21 H new ATOM 0 HB3 GLU A 80 -5.661 -0.618 2.495 1.00 4.21 H new ATOM 0 HG2 GLU A 80 -5.901 -3.136 2.259 1.00 5.42 H new ATOM 0 HG3 GLU A 80 -7.390 -2.236 2.474 1.00 5.42 H new ATOM 1271 N ILE A 81 -6.774 1.747 2.060 1.00 34.51 N ATOM 1272 CA ILE A 81 -6.542 3.110 2.520 1.00 34.53 C ATOM 1273 C ILE A 81 -6.246 3.142 4.015 1.00 32.35 C ATOM 1274 O ILE A 81 -7.000 2.594 4.820 1.00 73.41 O ATOM 1275 CB ILE A 81 -7.753 4.016 2.230 1.00 51.34 C ATOM 1276 CG1 ILE A 81 -8.077 4.005 0.734 1.00 53.21 C ATOM 1277 CG2 ILE A 81 -7.480 5.435 2.708 1.00 61.34 C ATOM 1278 CD1 ILE A 81 -9.264 4.870 0.367 1.00 2.14 C ATOM 0 H ILE A 81 -7.396 1.201 2.656 1.00 34.51 H new ATOM 0 HA ILE A 81 -5.678 3.485 1.972 1.00 34.53 H new ATOM 0 HB ILE A 81 -8.616 3.631 2.773 1.00 51.34 H new ATOM 0 HG12 ILE A 81 -7.203 4.346 0.179 1.00 53.21 H new ATOM 0 HG13 ILE A 81 -8.274 2.980 0.420 1.00 53.21 H new ATOM 0 HG21 ILE A 81 -8.345 6.063 2.496 1.00 61.34 H new ATOM 0 HG22 ILE A 81 -7.292 5.427 3.782 1.00 61.34 H new ATOM 0 HG23 ILE A 81 -6.607 5.832 2.189 1.00 61.34 H new ATOM 0 HD11 ILE A 81 -9.436 4.815 -0.708 1.00 2.14 H new ATOM 0 HD12 ILE A 81 -10.149 4.516 0.895 1.00 2.14 H new ATOM 0 HD13 ILE A 81 -9.062 5.903 0.649 1.00 2.14 H new ATOM 1290 N ILE A 82 -5.144 3.789 4.381 1.00 62.33 N ATOM 1291 CA ILE A 82 -4.750 3.895 5.781 1.00 62.24 C ATOM 1292 C ILE A 82 -5.502 5.022 6.480 1.00 20.21 C ATOM 1293 O ILE A 82 -5.511 6.159 6.012 1.00 42.41 O ATOM 1294 CB ILE A 82 -3.236 4.138 5.922 1.00 65.25 C ATOM 1295 CG1 ILE A 82 -2.454 3.135 5.070 1.00 33.22 C ATOM 1296 CG2 ILE A 82 -2.817 4.041 7.381 1.00 11.04 C ATOM 1297 CD1 ILE A 82 -0.959 3.362 5.088 1.00 4.45 C ATOM 0 H ILE A 82 -4.509 4.247 3.728 1.00 62.33 H new ATOM 0 HA ILE A 82 -5.003 2.946 6.253 1.00 62.24 H new ATOM 0 HB ILE A 82 -3.010 5.143 5.565 1.00 65.25 H new ATOM 0 HG12 ILE A 82 -2.664 2.127 5.426 1.00 33.22 H new ATOM 0 HG13 ILE A 82 -2.809 3.190 4.041 1.00 33.22 H new ATOM 0 HG21 ILE A 82 -1.744 4.215 7.464 1.00 11.04 H new ATOM 0 HG22 ILE A 82 -3.352 4.790 7.964 1.00 11.04 H new ATOM 0 HG23 ILE A 82 -3.054 3.048 7.762 1.00 11.04 H new ATOM 0 HD11 ILE A 82 -0.470 2.615 4.463 1.00 4.45 H new ATOM 0 HD12 ILE A 82 -0.738 4.358 4.704 1.00 4.45 H new ATOM 0 HD13 ILE A 82 -0.590 3.277 6.110 1.00 4.45 H new ATOM 1309 N ASN A 83 -6.131 4.698 7.605 1.00 63.22 N ATOM 1310 CA ASN A 83 -6.885 5.683 8.370 1.00 12.10 C ATOM 1311 C ASN A 83 -5.986 6.835 8.809 1.00 40.22 C ATOM 1312 O ASN A 83 -4.770 6.680 8.923 1.00 23.44 O ATOM 1313 CB ASN A 83 -7.527 5.027 9.594 1.00 11.25 C ATOM 1314 CG ASN A 83 -8.954 4.587 9.333 1.00 10.44 C ATOM 1315 OD1 ASN A 83 -9.740 5.318 8.731 1.00 52.40 O ATOM 1316 ND2 ASN A 83 -9.296 3.387 9.788 1.00 43.10 N ATOM 0 H ASN A 83 -6.133 3.760 8.007 1.00 63.22 H new ATOM 0 HA ASN A 83 -7.670 6.082 7.727 1.00 12.10 H new ATOM 0 HB2 ASN A 83 -6.933 4.164 9.894 1.00 11.25 H new ATOM 0 HB3 ASN A 83 -7.513 5.729 10.428 1.00 11.25 H new ATOM 0 HD21 ASN A 83 -10.243 3.038 9.643 1.00 43.10 H new ATOM 0 HD22 ASN A 83 -8.611 2.815 10.282 1.00 43.10 H new ATOM 1323 N THR A 84 -6.593 7.993 9.053 1.00 30.44 N ATOM 1324 CA THR A 84 -5.848 9.171 9.479 1.00 75.21 C ATOM 1325 C THR A 84 -5.005 8.872 10.713 1.00 2.30 C ATOM 1326 O THR A 84 -3.834 9.249 10.782 1.00 31.41 O ATOM 1327 CB THR A 84 -6.791 10.349 9.789 1.00 54.21 C ATOM 1328 OG1 THR A 84 -8.111 9.864 10.058 1.00 23.45 O ATOM 1329 CG2 THR A 84 -6.834 11.329 8.626 1.00 62.35 C ATOM 0 H THR A 84 -7.598 8.140 8.963 1.00 30.44 H new ATOM 0 HA THR A 84 -5.193 9.447 8.653 1.00 75.21 H new ATOM 0 HB THR A 84 -6.409 10.868 10.668 1.00 54.21 H new ATOM 0 HG1 THR A 84 -8.703 10.619 10.256 1.00 23.45 H new ATOM 0 HG21 THR A 84 -7.506 12.152 8.868 1.00 62.35 H new ATOM 0 HG22 THR A 84 -5.833 11.720 8.442 1.00 62.35 H new ATOM 0 HG23 THR A 84 -7.193 10.818 7.733 1.00 62.35 H new ATOM 1337 N ILE A 85 -5.605 8.194 11.685 1.00 72.53 N ATOM 1338 CA ILE A 85 -4.908 7.843 12.915 1.00 22.04 C ATOM 1339 C ILE A 85 -3.772 6.863 12.643 1.00 4.21 C ATOM 1340 O ILE A 85 -2.628 7.099 13.034 1.00 74.42 O ATOM 1341 CB ILE A 85 -5.866 7.225 13.950 1.00 31.50 C ATOM 1342 CG1 ILE A 85 -7.104 8.108 14.123 1.00 62.14 C ATOM 1343 CG2 ILE A 85 -5.157 7.032 15.282 1.00 2.43 C ATOM 1344 CD1 ILE A 85 -8.341 7.552 13.453 1.00 40.43 C ATOM 0 H ILE A 85 -6.573 7.877 11.644 1.00 72.53 H new ATOM 0 HA ILE A 85 -4.498 8.769 13.319 1.00 22.04 H new ATOM 0 HB ILE A 85 -6.186 6.248 13.587 1.00 31.50 H new ATOM 0 HG12 ILE A 85 -7.303 8.236 15.187 1.00 62.14 H new ATOM 0 HG13 ILE A 85 -6.894 9.097 13.717 1.00 62.14 H new ATOM 0 HG21 ILE A 85 -5.848 6.594 16.002 1.00 2.43 H new ATOM 0 HG22 ILE A 85 -4.304 6.367 15.147 1.00 2.43 H new ATOM 0 HG23 ILE A 85 -4.810 7.997 15.652 1.00 2.43 H new ATOM 0 HD11 ILE A 85 -9.179 8.229 13.617 1.00 40.43 H new ATOM 0 HD12 ILE A 85 -8.161 7.450 12.383 1.00 40.43 H new ATOM 0 HD13 ILE A 85 -8.576 6.575 13.876 1.00 40.43 H new ATOM 1356 N ASP A 86 -4.093 5.764 11.969 1.00 34.13 N ATOM 1357 CA ASP A 86 -3.100 4.749 11.641 1.00 21.11 C ATOM 1358 C ASP A 86 -1.905 5.370 10.925 1.00 65.35 C ATOM 1359 O ASP A 86 -0.759 4.980 11.152 1.00 34.54 O ATOM 1360 CB ASP A 86 -3.723 3.658 10.770 1.00 44.35 C ATOM 1361 CG ASP A 86 -4.637 2.739 11.556 1.00 13.34 C ATOM 1362 OD1 ASP A 86 -5.780 3.149 11.850 1.00 62.22 O ATOM 1363 OD2 ASP A 86 -4.210 1.611 11.878 1.00 44.15 O ATOM 0 H ASP A 86 -5.035 5.554 11.639 1.00 34.13 H new ATOM 0 HA ASP A 86 -2.751 4.303 12.572 1.00 21.11 H new ATOM 0 HB2 ASP A 86 -4.288 4.122 9.961 1.00 44.35 H new ATOM 0 HB3 ASP A 86 -2.930 3.069 10.309 1.00 44.35 H new ATOM 1368 N TYR A 87 -2.180 6.338 10.057 1.00 24.10 N ATOM 1369 CA TYR A 87 -1.128 7.011 9.304 1.00 20.21 C ATOM 1370 C TYR A 87 -0.298 7.912 10.213 1.00 12.44 C ATOM 1371 O TYR A 87 0.922 7.780 10.293 1.00 53.04 O ATOM 1372 CB TYR A 87 -1.733 7.833 8.166 1.00 55.20 C ATOM 1373 CG TYR A 87 -0.703 8.414 7.224 1.00 1.53 C ATOM 1374 CD1 TYR A 87 0.149 7.590 6.501 1.00 64.22 C ATOM 1375 CD2 TYR A 87 -0.582 9.789 7.058 1.00 61.04 C ATOM 1376 CE1 TYR A 87 1.093 8.117 5.640 1.00 32.10 C ATOM 1377 CE2 TYR A 87 0.358 10.325 6.199 1.00 74.23 C ATOM 1378 CZ TYR A 87 1.193 9.485 5.493 1.00 71.24 C ATOM 1379 OH TYR A 87 2.130 10.014 4.635 1.00 64.31 O ATOM 0 H TYR A 87 -3.122 6.674 9.858 1.00 24.10 H new ATOM 0 HA TYR A 87 -0.473 6.248 8.883 1.00 20.21 H new ATOM 0 HB2 TYR A 87 -2.418 7.203 7.598 1.00 55.20 H new ATOM 0 HB3 TYR A 87 -2.324 8.645 8.590 1.00 55.20 H new ATOM 0 HD1 TYR A 87 0.073 6.519 6.613 1.00 64.22 H new ATOM 0 HD2 TYR A 87 -1.234 10.450 7.610 1.00 61.04 H new ATOM 0 HE1 TYR A 87 1.748 7.462 5.086 1.00 32.10 H new ATOM 0 HE2 TYR A 87 0.438 11.396 6.081 1.00 74.23 H new ATOM 0 HH TYR A 87 2.069 10.992 4.647 1.00 64.31 H new ATOM 1389 N GLY A 88 -0.972 8.832 10.899 1.00 72.54 N ATOM 1390 CA GLY A 88 -0.283 9.743 11.793 1.00 34.35 C ATOM 1391 C GLY A 88 0.608 9.019 12.784 1.00 61.51 C ATOM 1392 O GLY A 88 1.668 9.521 13.160 1.00 74.25 O ATOM 0 H GLY A 88 -1.983 8.962 10.851 1.00 72.54 H new ATOM 0 HA2 GLY A 88 0.320 10.437 11.207 1.00 34.35 H new ATOM 0 HA3 GLY A 88 -1.017 10.339 12.336 1.00 34.35 H new ATOM 1396 N THR A 89 0.179 7.836 13.210 1.00 73.44 N ATOM 1397 CA THR A 89 0.943 7.043 14.164 1.00 32.31 C ATOM 1398 C THR A 89 2.046 6.256 13.467 1.00 42.15 C ATOM 1399 O THR A 89 3.054 5.904 14.080 1.00 61.55 O ATOM 1400 CB THR A 89 0.038 6.063 14.934 1.00 52.22 C ATOM 1401 OG1 THR A 89 -0.568 5.137 14.024 1.00 22.13 O ATOM 1402 CG2 THR A 89 -1.044 6.812 15.698 1.00 60.32 C ATOM 0 H THR A 89 -0.695 7.405 12.909 1.00 73.44 H new ATOM 0 HA THR A 89 1.390 7.744 14.869 1.00 32.31 H new ATOM 0 HB THR A 89 0.655 5.519 15.649 1.00 52.22 H new ATOM 0 HG1 THR A 89 -0.460 4.225 14.366 1.00 22.13 H new ATOM 0 HG21 THR A 89 -1.671 6.099 16.234 1.00 60.32 H new ATOM 0 HG22 THR A 89 -0.580 7.495 16.410 1.00 60.32 H new ATOM 0 HG23 THR A 89 -1.657 7.379 14.998 1.00 60.32 H new ATOM 1410 N MET A 90 1.849 5.983 12.180 1.00 2.44 N ATOM 1411 CA MET A 90 2.830 5.238 11.398 1.00 1.55 C ATOM 1412 C MET A 90 2.998 3.824 11.942 1.00 20.53 C ATOM 1413 O MET A 90 4.070 3.457 12.422 1.00 32.41 O ATOM 1414 CB MET A 90 4.178 5.964 11.406 1.00 14.33 C ATOM 1415 CG MET A 90 4.065 7.456 11.143 1.00 40.24 C ATOM 1416 SD MET A 90 5.673 8.248 10.936 1.00 72.11 S ATOM 1417 CE MET A 90 6.561 7.582 12.341 1.00 3.35 C ATOM 0 H MET A 90 1.020 6.266 11.658 1.00 2.44 H new ATOM 0 HA MET A 90 2.467 5.173 10.372 1.00 1.55 H new ATOM 0 HB2 MET A 90 4.659 5.809 12.372 1.00 14.33 H new ATOM 0 HB3 MET A 90 4.826 5.518 10.651 1.00 14.33 H new ATOM 0 HG2 MET A 90 3.466 7.619 10.247 1.00 40.24 H new ATOM 0 HG3 MET A 90 3.536 7.928 11.971 1.00 40.24 H new ATOM 0 HE1 MET A 90 7.457 8.177 12.521 1.00 3.35 H new ATOM 0 HE2 MET A 90 5.922 7.613 13.223 1.00 3.35 H new ATOM 0 HE3 MET A 90 6.846 6.550 12.135 1.00 3.35 H new ATOM 1427 N ASN A 91 1.932 3.034 11.864 1.00 0.04 N ATOM 1428 CA ASN A 91 1.962 1.660 12.350 1.00 34.40 C ATOM 1429 C ASN A 91 2.400 0.702 11.246 1.00 30.53 C ATOM 1430 O ASN A 91 1.575 0.195 10.485 1.00 3.45 O ATOM 1431 CB ASN A 91 0.584 1.252 12.877 1.00 50.25 C ATOM 1432 CG ASN A 91 0.468 1.414 14.380 1.00 55.13 C ATOM 1433 OD1 ASN A 91 -0.312 2.232 14.869 1.00 44.21 O ATOM 1434 ND2 ASN A 91 1.245 0.634 15.121 1.00 64.13 N ATOM 0 H ASN A 91 1.037 3.322 11.469 1.00 0.04 H new ATOM 0 HA ASN A 91 2.685 1.605 13.163 1.00 34.40 H new ATOM 0 HB2 ASN A 91 -0.182 1.855 12.389 1.00 50.25 H new ATOM 0 HB3 ASN A 91 0.389 0.213 12.610 1.00 50.25 H new ATOM 0 HD21 ASN A 91 1.210 0.698 16.138 1.00 64.13 H new ATOM 0 HD22 ASN A 91 1.877 -0.030 14.673 1.00 64.13 H new ATOM 1441 N GLY A 92 3.704 0.458 11.166 1.00 72.33 N ATOM 1442 CA GLY A 92 4.230 -0.439 10.152 1.00 42.53 C ATOM 1443 C GLY A 92 3.528 -1.782 10.146 1.00 55.21 C ATOM 1444 O GLY A 92 3.090 -2.256 9.097 1.00 12.41 O ATOM 0 H GLY A 92 4.406 0.865 11.784 1.00 72.33 H new ATOM 0 HA2 GLY A 92 4.127 0.026 9.171 1.00 42.53 H new ATOM 0 HA3 GLY A 92 5.296 -0.590 10.323 1.00 42.53 H new ATOM 1448 N GLU A 93 3.421 -2.399 11.318 1.00 5.23 N ATOM 1449 CA GLU A 93 2.769 -3.696 11.442 1.00 24.51 C ATOM 1450 C GLU A 93 1.379 -3.670 10.815 1.00 1.44 C ATOM 1451 O GLU A 93 1.008 -4.568 10.060 1.00 74.13 O ATOM 1452 CB GLU A 93 2.669 -4.104 12.914 1.00 52.21 C ATOM 1453 CG GLU A 93 2.065 -5.482 13.125 1.00 12.01 C ATOM 1454 CD GLU A 93 2.133 -5.934 14.571 1.00 54.12 C ATOM 1455 OE1 GLU A 93 1.737 -5.148 15.457 1.00 51.54 O ATOM 1456 OE2 GLU A 93 2.581 -7.072 14.817 1.00 21.40 O ATOM 0 H GLU A 93 3.778 -2.021 12.196 1.00 5.23 H new ATOM 0 HA GLU A 93 3.375 -4.429 10.909 1.00 24.51 H new ATOM 0 HB2 GLU A 93 3.665 -4.082 13.357 1.00 52.21 H new ATOM 0 HB3 GLU A 93 2.067 -3.368 13.446 1.00 52.21 H new ATOM 0 HG2 GLU A 93 1.025 -5.472 12.800 1.00 12.01 H new ATOM 0 HG3 GLU A 93 2.588 -6.204 12.498 1.00 12.01 H new ATOM 1463 N LYS A 94 0.613 -2.631 11.135 1.00 75.44 N ATOM 1464 CA LYS A 94 -0.738 -2.484 10.603 1.00 24.44 C ATOM 1465 C LYS A 94 -0.712 -2.342 9.084 1.00 4.22 C ATOM 1466 O LYS A 94 -1.559 -2.898 8.384 1.00 41.30 O ATOM 1467 CB LYS A 94 -1.424 -1.269 11.228 1.00 3.53 C ATOM 1468 CG LYS A 94 -1.638 -1.394 12.727 1.00 51.22 C ATOM 1469 CD LYS A 94 -2.586 -2.534 13.061 1.00 70.25 C ATOM 1470 CE LYS A 94 -3.325 -2.280 14.365 1.00 73.02 C ATOM 1471 NZ LYS A 94 -4.599 -1.540 14.146 1.00 63.24 N ATOM 0 H LYS A 94 0.904 -1.879 11.760 1.00 75.44 H new ATOM 0 HA LYS A 94 -1.302 -3.382 10.856 1.00 24.44 H new ATOM 0 HB2 LYS A 94 -0.824 -0.381 11.028 1.00 3.53 H new ATOM 0 HB3 LYS A 94 -2.389 -1.118 10.743 1.00 3.53 H new ATOM 0 HG2 LYS A 94 -0.680 -1.560 13.220 1.00 51.22 H new ATOM 0 HG3 LYS A 94 -2.040 -0.459 13.117 1.00 51.22 H new ATOM 0 HD2 LYS A 94 -3.306 -2.659 12.252 1.00 70.25 H new ATOM 0 HD3 LYS A 94 -2.025 -3.465 13.135 1.00 70.25 H new ATOM 0 HE2 LYS A 94 -3.537 -3.231 14.853 1.00 73.02 H new ATOM 0 HE3 LYS A 94 -2.686 -1.711 15.040 1.00 73.02 H new ATOM 0 HZ1 LYS A 94 -5.073 -1.387 15.059 1.00 63.24 H new ATOM 0 HZ2 LYS A 94 -4.395 -0.621 13.703 1.00 63.24 H new ATOM 0 HZ3 LYS A 94 -5.220 -2.095 13.523 1.00 63.24 H new ATOM 1485 N VAL A 95 0.266 -1.596 8.581 1.00 70.25 N ATOM 1486 CA VAL A 95 0.404 -1.383 7.145 1.00 34.22 C ATOM 1487 C VAL A 95 0.653 -2.698 6.416 1.00 74.04 C ATOM 1488 O VAL A 95 -0.178 -3.149 5.624 1.00 3.12 O ATOM 1489 CB VAL A 95 1.554 -0.408 6.829 1.00 22.13 C ATOM 1490 CG1 VAL A 95 1.656 -0.170 5.331 1.00 0.23 C ATOM 1491 CG2 VAL A 95 1.361 0.904 7.575 1.00 35.43 C ATOM 0 H VAL A 95 0.975 -1.129 9.147 1.00 70.25 H new ATOM 0 HA VAL A 95 -0.534 -0.950 6.798 1.00 34.22 H new ATOM 0 HB VAL A 95 2.489 -0.856 7.165 1.00 22.13 H new ATOM 0 HG11 VAL A 95 2.474 0.521 5.127 1.00 0.23 H new ATOM 0 HG12 VAL A 95 1.846 -1.116 4.824 1.00 0.23 H new ATOM 0 HG13 VAL A 95 0.721 0.256 4.966 1.00 0.23 H new ATOM 0 HG21 VAL A 95 2.183 1.581 7.340 1.00 35.43 H new ATOM 0 HG22 VAL A 95 0.418 1.359 7.272 1.00 35.43 H new ATOM 0 HG23 VAL A 95 1.344 0.713 8.648 1.00 35.43 H new ATOM 1501 N LEU A 96 1.800 -3.311 6.687 1.00 15.02 N ATOM 1502 CA LEU A 96 2.158 -4.577 6.057 1.00 25.33 C ATOM 1503 C LEU A 96 1.038 -5.600 6.213 1.00 71.11 C ATOM 1504 O LEU A 96 0.672 -6.285 5.258 1.00 41.25 O ATOM 1505 CB LEU A 96 3.451 -5.124 6.665 1.00 12.03 C ATOM 1506 CG LEU A 96 3.503 -5.181 8.193 1.00 43.24 C ATOM 1507 CD1 LEU A 96 3.144 -6.573 8.686 1.00 34.03 C ATOM 1508 CD2 LEU A 96 4.880 -4.773 8.695 1.00 71.34 C ATOM 0 H LEU A 96 2.498 -2.952 7.339 1.00 15.02 H new ATOM 0 HA LEU A 96 2.312 -4.394 4.994 1.00 25.33 H new ATOM 0 HB2 LEU A 96 3.614 -6.130 6.278 1.00 12.03 H new ATOM 0 HB3 LEU A 96 4.281 -4.510 6.316 1.00 12.03 H new ATOM 0 HG LEU A 96 2.771 -4.477 8.590 1.00 43.24 H new ATOM 0 HD11 LEU A 96 3.186 -6.595 9.775 1.00 34.03 H new ATOM 0 HD12 LEU A 96 2.137 -6.827 8.356 1.00 34.03 H new ATOM 0 HD13 LEU A 96 3.852 -7.296 8.281 1.00 34.03 H new ATOM 0 HD21 LEU A 96 4.899 -4.819 9.784 1.00 71.34 H new ATOM 0 HD22 LEU A 96 5.631 -5.452 8.290 1.00 71.34 H new ATOM 0 HD23 LEU A 96 5.098 -3.755 8.371 1.00 71.34 H new ATOM 1520 N GLN A 97 0.495 -5.696 7.422 1.00 25.25 N ATOM 1521 CA GLN A 97 -0.585 -6.635 7.703 1.00 42.12 C ATOM 1522 C GLN A 97 -1.752 -6.422 6.744 1.00 32.02 C ATOM 1523 O GLN A 97 -2.227 -7.365 6.109 1.00 20.33 O ATOM 1524 CB GLN A 97 -1.062 -6.479 9.148 1.00 11.04 C ATOM 1525 CG GLN A 97 -0.230 -7.263 10.151 1.00 72.11 C ATOM 1526 CD GLN A 97 -0.137 -8.737 9.805 1.00 23.04 C ATOM 1527 OE1 GLN A 97 0.940 -9.332 9.861 1.00 74.30 O ATOM 1528 NE2 GLN A 97 -1.267 -9.334 9.446 1.00 13.24 N ATOM 0 H GLN A 97 0.785 -5.135 8.223 1.00 25.25 H new ATOM 0 HA GLN A 97 -0.201 -7.645 7.562 1.00 42.12 H new ATOM 0 HB2 GLN A 97 -1.040 -5.423 9.417 1.00 11.04 H new ATOM 0 HB3 GLN A 97 -2.100 -6.804 9.216 1.00 11.04 H new ATOM 0 HG2 GLN A 97 0.774 -6.840 10.195 1.00 72.11 H new ATOM 0 HG3 GLN A 97 -0.666 -7.153 11.144 1.00 72.11 H new ATOM 0 HE21 GLN A 97 -2.137 -8.802 9.413 1.00 13.24 H new ATOM 0 HE22 GLN A 97 -1.266 -10.325 9.203 1.00 13.24 H new ATOM 1537 N LEU A 98 -2.212 -5.180 6.645 1.00 2.43 N ATOM 1538 CA LEU A 98 -3.324 -4.843 5.763 1.00 33.15 C ATOM 1539 C LEU A 98 -3.023 -5.252 4.325 1.00 31.44 C ATOM 1540 O LEU A 98 -3.828 -5.919 3.677 1.00 33.30 O ATOM 1541 CB LEU A 98 -3.617 -3.343 5.828 1.00 23.14 C ATOM 1542 CG LEU A 98 -5.041 -2.954 6.227 1.00 2.10 C ATOM 1543 CD1 LEU A 98 -5.151 -1.448 6.409 1.00 74.25 C ATOM 1544 CD2 LEU A 98 -6.038 -3.443 5.187 1.00 11.40 C ATOM 0 H LEU A 98 -1.832 -4.389 7.165 1.00 2.43 H new ATOM 0 HA LEU A 98 -4.202 -5.393 6.101 1.00 33.15 H new ATOM 0 HB2 LEU A 98 -2.925 -2.888 6.537 1.00 23.14 H new ATOM 0 HB3 LEU A 98 -3.403 -2.909 4.851 1.00 23.14 H new ATOM 0 HG LEU A 98 -5.276 -3.432 7.178 1.00 2.10 H new ATOM 0 HD11 LEU A 98 -6.171 -1.189 6.693 1.00 74.25 H new ATOM 0 HD12 LEU A 98 -4.464 -1.125 7.191 1.00 74.25 H new ATOM 0 HD13 LEU A 98 -4.897 -0.949 5.474 1.00 74.25 H new ATOM 0 HD21 LEU A 98 -7.046 -3.157 5.487 1.00 11.40 H new ATOM 0 HD22 LEU A 98 -5.806 -2.994 4.221 1.00 11.40 H new ATOM 0 HD23 LEU A 98 -5.977 -4.528 5.107 1.00 11.40 H new ATOM 1556 N ALA A 99 -1.856 -4.849 3.833 1.00 20.33 N ATOM 1557 CA ALA A 99 -1.446 -5.177 2.474 1.00 44.13 C ATOM 1558 C ALA A 99 -1.524 -6.679 2.224 1.00 71.43 C ATOM 1559 O ALA A 99 -2.002 -7.120 1.178 1.00 35.34 O ATOM 1560 CB ALA A 99 -0.037 -4.669 2.211 1.00 63.05 C ATOM 0 H ALA A 99 -1.178 -4.295 4.356 1.00 20.33 H new ATOM 0 HA ALA A 99 -2.133 -4.685 1.785 1.00 44.13 H new ATOM 0 HB1 ALA A 99 0.256 -4.921 1.192 1.00 63.05 H new ATOM 0 HB2 ALA A 99 -0.011 -3.587 2.339 1.00 63.05 H new ATOM 0 HB3 ALA A 99 0.655 -5.134 2.913 1.00 63.05 H new ATOM 1566 N ILE A 100 -1.051 -7.460 3.190 1.00 42.22 N ATOM 1567 CA ILE A 100 -1.067 -8.913 3.074 1.00 52.10 C ATOM 1568 C ILE A 100 -2.494 -9.440 2.963 1.00 14.52 C ATOM 1569 O ILE A 100 -2.828 -10.165 2.028 1.00 60.12 O ATOM 1570 CB ILE A 100 -0.377 -9.582 4.277 1.00 75.12 C ATOM 1571 CG1 ILE A 100 1.078 -9.121 4.379 1.00 62.43 C ATOM 1572 CG2 ILE A 100 -0.453 -11.097 4.157 1.00 42.42 C ATOM 1573 CD1 ILE A 100 1.571 -8.987 5.802 1.00 3.04 C ATOM 0 H ILE A 100 -0.652 -7.111 4.061 1.00 42.22 H new ATOM 0 HA ILE A 100 -0.518 -9.163 2.166 1.00 52.10 H new ATOM 0 HB ILE A 100 -0.897 -9.284 5.187 1.00 75.12 H new ATOM 0 HG12 ILE A 100 1.713 -9.830 3.848 1.00 62.43 H new ATOM 0 HG13 ILE A 100 1.182 -8.160 3.875 1.00 62.43 H new ATOM 0 HG21 ILE A 100 0.039 -11.555 5.015 1.00 42.42 H new ATOM 0 HG22 ILE A 100 -1.497 -11.408 4.129 1.00 42.42 H new ATOM 0 HG23 ILE A 100 0.045 -11.415 3.241 1.00 42.42 H new ATOM 0 HD11 ILE A 100 2.610 -8.657 5.798 1.00 3.04 H new ATOM 0 HD12 ILE A 100 0.960 -8.256 6.331 1.00 3.04 H new ATOM 0 HD13 ILE A 100 1.499 -9.952 6.304 1.00 3.04 H new ATOM 1585 N ASN A 101 -3.332 -9.066 3.924 1.00 14.42 N ATOM 1586 CA ASN A 101 -4.725 -9.499 3.935 1.00 52.12 C ATOM 1587 C ASN A 101 -5.395 -9.208 2.596 1.00 75.02 C ATOM 1588 O ASN A 101 -6.123 -10.043 2.059 1.00 15.35 O ATOM 1589 CB ASN A 101 -5.490 -8.804 5.062 1.00 4.53 C ATOM 1590 CG ASN A 101 -6.991 -8.975 4.935 1.00 21.24 C ATOM 1591 OD1 ASN A 101 -7.558 -9.953 5.425 1.00 43.31 O ATOM 1592 ND2 ASN A 101 -7.642 -8.025 4.276 1.00 42.21 N ATOM 0 H ASN A 101 -3.071 -8.464 4.705 1.00 14.42 H new ATOM 0 HA ASN A 101 -4.743 -10.576 4.105 1.00 52.12 H new ATOM 0 HB2 ASN A 101 -5.162 -9.205 6.021 1.00 4.53 H new ATOM 0 HB3 ASN A 101 -5.247 -7.741 5.061 1.00 4.53 H new ATOM 0 HD21 ASN A 101 -8.653 -8.087 4.159 1.00 42.21 H new ATOM 0 HD22 ASN A 101 -7.131 -7.233 3.887 1.00 42.21 H new ATOM 1599 N ALA A 102 -5.144 -8.017 2.061 1.00 31.21 N ATOM 1600 CA ALA A 102 -5.721 -7.616 0.783 1.00 24.54 C ATOM 1601 C ALA A 102 -5.189 -8.480 -0.355 1.00 22.25 C ATOM 1602 O ALA A 102 -5.940 -8.895 -1.237 1.00 13.20 O ATOM 1603 CB ALA A 102 -5.431 -6.147 0.512 1.00 54.11 C ATOM 0 H ALA A 102 -4.545 -7.313 2.493 1.00 31.21 H new ATOM 0 HA ALA A 102 -6.800 -7.759 0.839 1.00 24.54 H new ATOM 0 HB1 ALA A 102 -5.867 -5.861 -0.445 1.00 54.11 H new ATOM 0 HB2 ALA A 102 -5.865 -5.538 1.305 1.00 54.11 H new ATOM 0 HB3 ALA A 102 -4.353 -5.989 0.481 1.00 54.11 H new ATOM 1609 N PHE A 103 -3.887 -8.749 -0.328 1.00 70.45 N ATOM 1610 CA PHE A 103 -3.255 -9.564 -1.360 1.00 44.11 C ATOM 1611 C PHE A 103 -3.902 -10.944 -1.437 1.00 45.11 C ATOM 1612 O PHE A 103 -4.284 -11.402 -2.512 1.00 43.13 O ATOM 1613 CB PHE A 103 -1.756 -9.706 -1.080 1.00 12.54 C ATOM 1614 CG PHE A 103 -1.032 -10.534 -2.101 1.00 22.13 C ATOM 1615 CD1 PHE A 103 -0.959 -10.123 -3.422 1.00 44.24 C ATOM 1616 CD2 PHE A 103 -0.423 -11.726 -1.740 1.00 30.30 C ATOM 1617 CE1 PHE A 103 -0.292 -10.883 -4.364 1.00 75.33 C ATOM 1618 CE2 PHE A 103 0.245 -12.491 -2.677 1.00 53.32 C ATOM 1619 CZ PHE A 103 0.310 -12.069 -3.991 1.00 54.11 C ATOM 0 H PHE A 103 -3.250 -8.415 0.396 1.00 70.45 H new ATOM 0 HA PHE A 103 -3.394 -9.064 -2.318 1.00 44.11 H new ATOM 0 HB2 PHE A 103 -1.306 -8.714 -1.043 1.00 12.54 H new ATOM 0 HB3 PHE A 103 -1.619 -10.155 -0.096 1.00 12.54 H new ATOM 0 HD1 PHE A 103 -1.429 -9.197 -3.719 1.00 44.24 H new ATOM 0 HD2 PHE A 103 -0.471 -12.061 -0.714 1.00 30.30 H new ATOM 0 HE1 PHE A 103 -0.241 -10.550 -5.390 1.00 75.33 H new ATOM 0 HE2 PHE A 103 0.716 -13.417 -2.383 1.00 53.32 H new ATOM 0 HZ PHE A 103 0.831 -12.666 -4.725 1.00 54.11 H new ATOM 1629 N ASN A 104 -4.020 -11.600 -0.287 1.00 23.41 N ATOM 1630 CA ASN A 104 -4.619 -12.928 -0.224 1.00 50.20 C ATOM 1631 C ASN A 104 -6.104 -12.872 -0.568 1.00 11.32 C ATOM 1632 O ASN A 104 -6.587 -13.634 -1.404 1.00 53.34 O ATOM 1633 CB ASN A 104 -4.429 -13.529 1.171 1.00 51.14 C ATOM 1634 CG ASN A 104 -3.018 -14.039 1.394 1.00 53.51 C ATOM 1635 OD1 ASN A 104 -2.295 -14.332 0.443 1.00 43.53 O ATOM 1636 ND2 ASN A 104 -2.621 -14.146 2.657 1.00 74.44 N ATOM 0 H ASN A 104 -3.709 -11.234 0.613 1.00 23.41 H new ATOM 0 HA ASN A 104 -4.119 -13.561 -0.957 1.00 50.20 H new ATOM 0 HB2 ASN A 104 -4.663 -12.776 1.923 1.00 51.14 H new ATOM 0 HB3 ASN A 104 -5.135 -14.348 1.310 1.00 51.14 H new ATOM 0 HD21 ASN A 104 -1.682 -14.483 2.870 1.00 74.44 H new ATOM 0 HD22 ASN A 104 -3.255 -13.891 3.414 1.00 74.44 H new ATOM 1643 N ASN A 105 -6.822 -11.962 0.083 1.00 11.01 N ATOM 1644 CA ASN A 105 -8.253 -11.805 -0.155 1.00 33.34 C ATOM 1645 C ASN A 105 -8.541 -11.627 -1.642 1.00 11.32 C ATOM 1646 O ASN A 105 -9.521 -12.159 -2.164 1.00 74.02 O ATOM 1647 CB ASN A 105 -8.792 -10.608 0.629 1.00 54.50 C ATOM 1648 CG ASN A 105 -10.307 -10.609 0.717 1.00 64.13 C ATOM 1649 OD1 ASN A 105 -10.993 -10.174 -0.208 1.00 34.43 O ATOM 1650 ND2 ASN A 105 -10.834 -11.099 1.833 1.00 3.32 N ATOM 0 H ASN A 105 -6.437 -11.323 0.779 1.00 11.01 H new ATOM 0 HA ASN A 105 -8.755 -12.710 0.187 1.00 33.34 H new ATOM 0 HB2 ASN A 105 -8.372 -10.617 1.635 1.00 54.50 H new ATOM 0 HB3 ASN A 105 -8.459 -9.686 0.153 1.00 54.50 H new ATOM 0 HD21 ASN A 105 -11.847 -11.126 1.950 1.00 3.32 H new ATOM 0 HD22 ASN A 105 -10.226 -11.449 2.573 1.00 3.32 H new ATOM 1657 N LYS A 106 -7.681 -10.875 -2.320 1.00 11.34 N ATOM 1658 CA LYS A 106 -7.841 -10.626 -3.748 1.00 3.43 C ATOM 1659 C LYS A 106 -9.215 -10.035 -4.047 1.00 0.40 C ATOM 1660 O LYS A 106 -9.757 -10.220 -5.136 1.00 24.40 O ATOM 1661 CB LYS A 106 -7.649 -11.923 -4.536 1.00 63.32 C ATOM 1662 CG LYS A 106 -6.667 -11.795 -5.688 1.00 52.23 C ATOM 1663 CD LYS A 106 -7.056 -12.689 -6.853 1.00 63.23 C ATOM 1664 CE LYS A 106 -5.903 -12.863 -7.830 1.00 41.22 C ATOM 1665 NZ LYS A 106 -6.254 -13.788 -8.944 1.00 20.24 N ATOM 0 H LYS A 106 -6.865 -10.427 -1.903 1.00 11.34 H new ATOM 0 HA LYS A 106 -7.082 -9.906 -4.054 1.00 3.43 H new ATOM 0 HB2 LYS A 106 -7.301 -12.702 -3.858 1.00 63.32 H new ATOM 0 HB3 LYS A 106 -8.614 -12.247 -4.926 1.00 63.32 H new ATOM 0 HG2 LYS A 106 -6.628 -10.758 -6.021 1.00 52.23 H new ATOM 0 HG3 LYS A 106 -5.666 -12.057 -5.345 1.00 52.23 H new ATOM 0 HD2 LYS A 106 -7.366 -13.664 -6.477 1.00 63.23 H new ATOM 0 HD3 LYS A 106 -7.913 -12.260 -7.372 1.00 63.23 H new ATOM 0 HE2 LYS A 106 -5.624 -11.892 -8.239 1.00 41.22 H new ATOM 0 HE3 LYS A 106 -5.032 -13.248 -7.299 1.00 41.22 H new ATOM 0 HZ1 LYS A 106 -5.442 -13.880 -9.588 1.00 20.24 H new ATOM 0 HZ2 LYS A 106 -6.496 -14.722 -8.556 1.00 20.24 H new ATOM 0 HZ3 LYS A 106 -7.069 -13.408 -9.467 1.00 20.24 H new