USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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: B 98 GLN : amide:sc= -0.432 K(o=0.71,f=-0.098) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -140:sc= 1.14 (180deg=-0.417) USER MOD Set 2.1: B 13 LYS NZ :NH3+ -159:sc= 0.312 (180deg=-1.89!) USER MOD Set 2.2: B 81 ASN : amide:sc= -1.98! C(o=0.7!,f=-5.7!) USER MOD Set 2.3: B 83 SER OG : rot -82:sc= 1.19 USER MOD Set 2.4: B 84 THR OG1 : rot 35:sc= 1.17 USER MOD Set 3.1: B 66 GLN : amide:sc= -0.791 K(o=-4.5,f=-9.3!) USER MOD Set 3.2: B 76 ASN : amide:sc= -3.76! C(o=-4.5!,f=-6.7!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ 162:sc= 1.28 (180deg=0) USER MOD Set 4.2: B 52 CYS SG : rot 100:sc= -2.05! USER MOD Set 5.1: B 45 HIS : no HE2:sc= -2.48! C(o=-2.5!,f=-5.4!) USER MOD Set 5.2: B 75 THR OG1 : rot 180:sc= 0.00447 USER MOD Set 6.1: B 20 GLN : amide:sc= -0.641! K(o=1.8!,f=-5.1) USER MOD Set 6.2: B 38 LYS NZ :NH3+ -148:sc= 2.45 (180deg=0.498) USER MOD Set 7.1: B 17 GLN : amide:sc= -0.525 K(o=-0.52,f=-2.1) USER MOD Set 7.2: B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 151:sc= 2.33 (180deg=0.439!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -121:sc= -1.66 (180deg=-5.19!) USER MOD Single : B 42 THR OG1 : rot 75:sc= 0.0805 USER MOD Single : B 44 SER OG : rot 180:sc= -0.0645 USER MOD Single : B 46 MET CE :methyl 158:sc= -0.316 (180deg=-1.09) USER MOD Single : B 47 TYR OH : rot 131:sc= 1.22 USER MOD Single : B 53 GLN : amide:sc= -2.21 K(o=-2.2,f=-4.7!) USER MOD Single : B 54 LYS NZ :NH3+ -152:sc= -0.169 (180deg=-0.485) USER MOD Single : B 56 SER OG : rot 160:sc= -1.39 USER MOD Single : B 60 LYS NZ :NH3+ 166:sc= 2.77 (180deg=1.71) USER MOD Single : B 62 LYS NZ :NH3+ -132:sc= 0.881 (180deg=-0.496) USER MOD Single : B 64 GLN :FLIP amide:sc= 0.0836 F(o=-3.1!,f=0.084) USER MOD Single : B 70 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-9.6!) USER MOD Single : B 74 THR OG1 : rot 42:sc= 0.0464 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -1.02 F(o=-1.6,f=-1) USER MOD Single : B 80 SER OG : rot 41:sc= 0.637 USER MOD Single : B 87 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.2) USER MOD Single : B 93 LYS NZ :NH3+ 167:sc= 2.23 (180deg=2.07) USER MOD Single : B 97 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.694 12.853 11.639 1.00 0.00 N ATOM 102 CA GLU A 399 0.505 12.835 12.491 1.00 0.00 C ATOM 103 C GLU A 399 -0.435 11.722 12.083 1.00 0.00 C ATOM 104 O GLU A 399 -1.285 11.901 11.220 1.00 0.00 O ATOM 105 CB GLU A 399 -0.196 14.182 12.388 1.00 0.00 C ATOM 106 CG GLU A 399 -1.324 14.377 13.375 1.00 0.00 C ATOM 107 CD GLU A 399 -2.123 15.628 13.076 1.00 0.00 C ATOM 108 OE1 GLU A 399 -1.594 16.520 12.373 1.00 0.00 O ATOM 109 OE2 GLU A 399 -3.287 15.708 13.518 1.00 0.00 O ATOM 0 HA GLU A 399 0.807 12.654 13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.540 14.973 12.535 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.590 14.297 11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -1.984 13.510 13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.917 14.438 14.384 1.00 0.00 H new ATOM 116 N ASP A 400 -0.293 10.578 12.716 1.00 0.00 N ATOM 117 CA ASP A 400 -1.118 9.433 12.388 1.00 0.00 C ATOM 118 C ASP A 400 -1.666 8.751 13.638 1.00 0.00 C ATOM 119 O ASP A 400 -1.013 7.919 14.258 1.00 0.00 O ATOM 120 CB ASP A 400 -0.303 8.457 11.550 1.00 0.00 C ATOM 121 CG ASP A 400 0.960 7.977 12.240 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.827 8.819 12.567 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.088 6.753 12.438 1.00 0.00 O ATOM 0 H ASP A 400 0.385 10.415 13.460 1.00 0.00 H new ATOM 0 HA ASP A 400 -1.979 9.777 11.816 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.923 7.595 11.304 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.034 8.935 10.608 1.00 0.00 H new ATOM 128 N ASP A 401 -2.869 9.131 14.017 1.00 0.00 N ATOM 129 CA ASP A 401 -3.507 8.554 15.203 1.00 0.00 C ATOM 130 C ASP A 401 -4.998 8.276 15.005 1.00 0.00 C ATOM 131 O ASP A 401 -5.471 7.188 15.330 1.00 0.00 O ATOM 132 CB ASP A 401 -3.285 9.451 16.433 1.00 0.00 C ATOM 133 CG ASP A 401 -3.919 10.827 16.301 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.048 11.326 15.159 1.00 0.00 O ATOM 135 OD2 ASP A 401 -4.282 11.413 17.335 1.00 0.00 O ATOM 0 H ASP A 401 -3.429 9.831 13.531 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.028 7.590 15.372 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.693 8.955 17.314 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.214 9.567 16.600 1.00 0.00 H new ATOM 140 N ASP A 402 -5.733 9.242 14.458 1.00 0.00 N ATOM 141 CA ASP A 402 -7.176 9.088 14.220 1.00 0.00 C ATOM 142 C ASP A 402 -7.433 8.150 13.051 1.00 0.00 C ATOM 143 O ASP A 402 -8.554 8.041 12.550 1.00 0.00 O ATOM 144 CB ASP A 402 -7.839 10.443 13.949 1.00 0.00 C ATOM 145 CG ASP A 402 -7.127 11.259 12.884 1.00 0.00 C ATOM 146 OD1 ASP A 402 -7.156 12.501 12.981 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.517 10.667 11.962 1.00 0.00 O ATOM 0 H ASP A 402 -5.356 10.145 14.169 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.613 8.660 15.122 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.872 10.279 13.641 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.870 11.016 14.876 1.00 0.00 H new ATOM 152 N PHE A 403 -6.380 7.471 12.644 1.00 0.00 N ATOM 153 CA PHE A 403 -6.405 6.540 11.556 1.00 0.00 C ATOM 154 C PHE A 403 -7.501 5.494 11.737 1.00 0.00 C ATOM 155 O PHE A 403 -7.467 4.694 12.669 1.00 0.00 O ATOM 156 CB PHE A 403 -5.052 5.875 11.500 1.00 0.00 C ATOM 157 CG PHE A 403 -4.217 6.262 10.341 1.00 0.00 C ATOM 158 CD1 PHE A 403 -4.708 6.136 9.065 1.00 0.00 C ATOM 159 CD2 PHE A 403 -2.926 6.697 10.525 1.00 0.00 C ATOM 160 CE1 PHE A 403 -3.926 6.434 7.983 1.00 0.00 C ATOM 161 CE2 PHE A 403 -2.140 7.009 9.444 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.638 6.873 8.174 1.00 0.00 C ATOM 0 H PHE A 403 -5.462 7.561 13.079 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.622 7.066 10.626 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.509 6.110 12.415 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.194 4.794 11.483 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -5.723 5.798 8.914 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -2.529 6.794 11.525 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -4.319 6.325 6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -1.130 7.361 9.594 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.017 7.111 7.323 1.00 0.00 H new ATOM 172 N ASN A 404 -8.461 5.511 10.830 1.00 0.00 N ATOM 173 CA ASN A 404 -9.571 4.570 10.862 1.00 0.00 C ATOM 174 C ASN A 404 -9.074 3.258 10.305 1.00 0.00 C ATOM 175 O ASN A 404 -8.371 3.250 9.297 1.00 0.00 O ATOM 176 CB ASN A 404 -10.759 5.085 10.042 1.00 0.00 C ATOM 177 CG ASN A 404 -11.645 6.045 10.817 1.00 0.00 C ATOM 178 OD1 ASN A 404 -11.051 6.838 11.698 1.00 0.00 O flip ATOM 179 ND2 ASN A 404 -12.856 6.082 10.619 1.00 0.00 N flip ATOM 0 H ASN A 404 -8.496 6.172 10.054 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.921 4.445 11.886 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.386 5.585 9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.357 4.237 9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -13.280 5.457 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -13.438 6.738 11.140 1.00 0.00 H new ATOM 361 N VAL B 8 -0.776 -0.190 -13.505 1.00 0.00 N ATOM 362 CA VAL B 8 -1.247 0.890 -12.652 1.00 0.00 C ATOM 363 C VAL B 8 -2.712 1.193 -12.898 1.00 0.00 C ATOM 364 O VAL B 8 -3.110 1.583 -13.995 1.00 0.00 O ATOM 365 CB VAL B 8 -0.431 2.180 -12.867 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.977 3.304 -12.001 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.042 1.943 -12.574 1.00 0.00 C ATOM 0 HA VAL B 8 -1.116 0.550 -11.625 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.524 2.474 -13.913 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.390 4.208 -12.165 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.017 3.494 -12.265 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.916 3.017 -10.951 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.598 2.867 -12.733 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.160 1.622 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.426 1.170 -13.240 1.00 0.00 H new ATOM 377 N LEU B 9 -3.506 0.995 -11.861 1.00 0.00 N ATOM 378 CA LEU B 9 -4.929 1.256 -11.929 1.00 0.00 C ATOM 379 C LEU B 9 -5.245 2.629 -11.343 1.00 0.00 C ATOM 380 O LEU B 9 -6.182 3.299 -11.775 1.00 0.00 O ATOM 381 CB LEU B 9 -5.713 0.178 -11.169 1.00 0.00 C ATOM 382 CG LEU B 9 -5.295 -1.271 -11.446 1.00 0.00 C ATOM 383 CD1 LEU B 9 -6.084 -2.226 -10.563 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.494 -1.620 -12.914 1.00 0.00 C ATOM 0 H LEU B 9 -3.184 0.652 -10.956 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.228 1.237 -12.977 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.612 0.367 -10.100 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.770 0.284 -11.413 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.235 -1.372 -11.212 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.777 -3.251 -10.770 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.893 -1.995 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -7.149 -2.117 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.191 -2.653 -13.087 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.545 -1.502 -13.177 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.889 -0.956 -13.531 1.00 0.00 H new ATOM 396 N LEU B 10 -4.457 3.047 -10.357 1.00 0.00 N ATOM 397 CA LEU B 10 -4.672 4.334 -9.710 1.00 0.00 C ATOM 398 C LEU B 10 -3.385 5.133 -9.566 1.00 0.00 C ATOM 399 O LEU B 10 -2.338 4.586 -9.217 1.00 0.00 O ATOM 400 CB LEU B 10 -5.279 4.121 -8.330 1.00 0.00 C ATOM 401 CG LEU B 10 -5.681 5.406 -7.598 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.106 5.806 -7.920 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.515 5.245 -6.104 1.00 0.00 C ATOM 0 H LEU B 10 -3.668 2.515 -9.991 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.351 4.903 -10.345 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.159 3.486 -8.430 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.563 3.578 -7.714 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.019 6.199 -7.945 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.357 6.721 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.203 5.976 -8.992 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.785 5.009 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.806 6.169 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.146 4.428 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.473 5.022 -5.876 1.00 0.00 H new ATOM 415 N ILE B 11 -3.478 6.429 -9.837 1.00 0.00 N ATOM 416 CA ILE B 11 -2.347 7.331 -9.702 1.00 0.00 C ATOM 417 C ILE B 11 -2.710 8.444 -8.735 1.00 0.00 C ATOM 418 O ILE B 11 -3.681 9.170 -8.949 1.00 0.00 O ATOM 419 CB ILE B 11 -1.917 7.964 -11.041 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.557 6.877 -12.057 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.736 8.905 -10.814 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.251 7.412 -13.437 1.00 0.00 C ATOM 0 H ILE B 11 -4.336 6.880 -10.155 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.509 6.738 -9.334 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.750 8.540 -11.444 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.692 6.323 -11.692 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.383 6.169 -12.126 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.437 9.349 -11.763 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.027 9.694 -10.120 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.100 8.345 -10.396 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.005 6.584 -14.102 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.122 7.941 -13.824 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.405 8.097 -13.382 1.00 0.00 H new ATOM 434 N VAL B 12 -1.938 8.565 -7.677 1.00 0.00 N ATOM 435 CA VAL B 12 -2.176 9.573 -6.668 1.00 0.00 C ATOM 436 C VAL B 12 -1.084 10.625 -6.713 1.00 0.00 C ATOM 437 O VAL B 12 0.063 10.329 -7.047 1.00 0.00 O ATOM 438 CB VAL B 12 -2.241 8.953 -5.266 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.883 9.909 -4.286 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.002 7.640 -5.303 1.00 0.00 C ATOM 0 H VAL B 12 -1.131 7.970 -7.493 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.138 10.039 -6.881 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.223 8.755 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.919 9.449 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.298 10.827 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.896 10.141 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.039 7.213 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.017 7.817 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.497 6.946 -5.975 1.00 0.00 H new ATOM 450 N LYS B 13 -1.442 11.844 -6.372 1.00 0.00 N ATOM 451 CA LYS B 13 -0.501 12.949 -6.397 1.00 0.00 C ATOM 452 C LYS B 13 -0.137 13.374 -4.988 1.00 0.00 C ATOM 453 O LYS B 13 -0.749 12.913 -4.030 1.00 0.00 O ATOM 454 CB LYS B 13 -1.080 14.145 -7.163 1.00 0.00 C ATOM 455 CG LYS B 13 -1.058 13.984 -8.676 1.00 0.00 C ATOM 456 CD LYS B 13 -2.017 12.901 -9.148 1.00 0.00 C ATOM 457 CE LYS B 13 -3.438 13.421 -9.307 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.070 13.798 -8.007 1.00 0.00 N ATOM 0 H LYS B 13 -2.383 12.098 -6.072 1.00 0.00 H new ATOM 0 HA LYS B 13 0.398 12.607 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.109 14.306 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.519 15.040 -6.896 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -1.322 14.932 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.047 13.739 -9.000 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -1.670 12.501 -10.100 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.011 12.077 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.430 14.289 -9.966 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.046 12.658 -9.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.105 13.800 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.798 13.110 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.748 14.746 -7.727 1.00 0.00 H new ATOM 472 N LYS B 14 0.818 14.303 -4.913 1.00 0.00 N ATOM 473 CA LYS B 14 1.353 14.857 -3.658 1.00 0.00 C ATOM 474 C LYS B 14 1.061 14.008 -2.422 1.00 0.00 C ATOM 475 O LYS B 14 0.262 14.379 -1.564 1.00 0.00 O ATOM 476 CB LYS B 14 0.824 16.274 -3.435 1.00 0.00 C ATOM 477 CG LYS B 14 1.710 17.351 -4.031 1.00 0.00 C ATOM 478 CD LYS B 14 2.187 18.323 -2.964 1.00 0.00 C ATOM 479 CE LYS B 14 3.569 18.872 -3.283 1.00 0.00 C ATOM 480 NZ LYS B 14 4.635 17.860 -3.060 1.00 0.00 N ATOM 0 H LYS B 14 1.255 14.704 -5.743 1.00 0.00 H new ATOM 0 HA LYS B 14 2.436 14.863 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.173 16.354 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.721 16.451 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.570 16.890 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.161 17.893 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.478 19.147 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.209 17.820 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.596 19.205 -4.321 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.764 19.747 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.431 18.046 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.966 17.915 -2.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.255 16.910 -3.245 1.00 0.00 H new ATOM 494 N VAL B 15 1.713 12.863 -2.358 1.00 0.00 N ATOM 495 CA VAL B 15 1.588 11.959 -1.233 1.00 0.00 C ATOM 496 C VAL B 15 2.941 11.860 -0.561 1.00 0.00 C ATOM 497 O VAL B 15 3.926 11.497 -1.197 1.00 0.00 O ATOM 498 CB VAL B 15 1.109 10.551 -1.656 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.312 9.546 -0.532 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.351 10.584 -2.066 1.00 0.00 C ATOM 0 H VAL B 15 2.346 12.534 -3.087 1.00 0.00 H new ATOM 0 HA VAL B 15 0.835 12.355 -0.552 1.00 0.00 H new ATOM 0 HB VAL B 15 1.708 10.238 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.967 8.564 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.371 9.493 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.744 9.860 0.344 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.669 9.584 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.957 10.925 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.478 11.267 -2.906 1.00 0.00 H new ATOM 510 N ARG B 16 2.997 12.213 0.703 1.00 0.00 N ATOM 511 CA ARG B 16 4.242 12.176 1.434 1.00 0.00 C ATOM 512 C ARG B 16 4.368 10.886 2.228 1.00 0.00 C ATOM 513 O ARG B 16 3.528 10.571 3.064 1.00 0.00 O ATOM 514 CB ARG B 16 4.351 13.393 2.357 1.00 0.00 C ATOM 515 CG ARG B 16 3.863 14.681 1.713 1.00 0.00 C ATOM 516 CD ARG B 16 3.793 15.823 2.711 1.00 0.00 C ATOM 517 NE ARG B 16 5.118 16.217 3.182 1.00 0.00 N ATOM 518 CZ ARG B 16 5.411 16.464 4.459 1.00 0.00 C ATOM 519 NH1 ARG B 16 4.457 16.405 5.384 1.00 0.00 N ATOM 520 NH2 ARG B 16 6.651 16.777 4.805 1.00 0.00 N ATOM 0 H ARG B 16 2.194 12.529 1.246 1.00 0.00 H new ATOM 0 HA ARG B 16 5.062 12.209 0.717 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.774 13.206 3.263 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.390 13.518 2.661 1.00 0.00 H new ATOM 0 HG2 ARG B 16 4.531 14.954 0.896 1.00 0.00 H new ATOM 0 HG3 ARG B 16 2.877 14.518 1.278 1.00 0.00 H new ATOM 0 HD2 ARG B 16 3.303 16.680 2.249 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.179 15.525 3.561 1.00 0.00 H new ATOM 0 HE ARG B 16 5.864 16.309 2.493 1.00 0.00 H new ATOM 0 HH11 ARG B 16 3.501 16.171 5.116 1.00 0.00 H new ATOM 0 HH12 ARG B 16 4.681 16.594 6.361 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.381 16.829 4.095 1.00 0.00 H new ATOM 0 HH22 ARG B 16 6.876 16.966 5.782 1.00 0.00 H new ATOM 534 N GLN B 17 5.400 10.125 1.926 1.00 0.00 N ATOM 535 CA GLN B 17 5.666 8.883 2.623 1.00 0.00 C ATOM 536 C GLN B 17 6.906 9.086 3.466 1.00 0.00 C ATOM 537 O GLN B 17 7.963 9.424 2.932 1.00 0.00 O ATOM 538 CB GLN B 17 5.872 7.735 1.634 1.00 0.00 C ATOM 539 CG GLN B 17 5.404 6.389 2.157 1.00 0.00 C ATOM 540 CD GLN B 17 6.369 5.758 3.142 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.584 5.904 3.030 1.00 0.00 O ATOM 542 NE2 GLN B 17 5.828 5.058 4.123 1.00 0.00 N ATOM 0 H GLN B 17 6.075 10.348 1.194 1.00 0.00 H new ATOM 0 HA GLN B 17 4.816 8.618 3.252 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.338 7.962 0.711 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.931 7.669 1.382 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.434 6.512 2.638 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.259 5.711 1.316 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.814 4.960 4.181 1.00 0.00 H new ATOM 0 HE22 GLN B 17 6.424 4.615 4.822 1.00 0.00 H new ATOM 551 N LYS B 18 6.764 8.924 4.776 1.00 0.00 N ATOM 552 CA LYS B 18 7.871 9.127 5.700 1.00 0.00 C ATOM 553 C LYS B 18 8.262 10.601 5.667 1.00 0.00 C ATOM 554 O LYS B 18 9.431 10.961 5.822 1.00 0.00 O ATOM 555 CB LYS B 18 9.061 8.228 5.332 1.00 0.00 C ATOM 556 CG LYS B 18 9.561 7.358 6.474 1.00 0.00 C ATOM 557 CD LYS B 18 8.639 6.174 6.718 1.00 0.00 C ATOM 558 CE LYS B 18 7.577 6.496 7.754 1.00 0.00 C ATOM 559 NZ LYS B 18 6.257 5.918 7.397 1.00 0.00 N ATOM 0 H LYS B 18 5.889 8.651 5.223 1.00 0.00 H new ATOM 0 HA LYS B 18 7.566 8.854 6.710 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.773 7.586 4.500 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.881 8.855 4.982 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.564 6.998 6.246 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.635 7.956 7.382 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.160 5.887 5.782 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.226 5.318 7.052 1.00 0.00 H new ATOM 0 HE2 LYS B 18 7.890 6.112 8.725 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.484 7.577 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.561 6.162 8.131 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.945 6.303 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.338 4.884 7.327 1.00 0.00 H new ATOM 573 N LYS B 19 7.239 11.438 5.464 1.00 0.00 N ATOM 574 CA LYS B 19 7.383 12.892 5.375 1.00 0.00 C ATOM 575 C LYS B 19 8.115 13.308 4.094 1.00 0.00 C ATOM 576 O LYS B 19 8.615 14.429 3.988 1.00 0.00 O ATOM 577 CB LYS B 19 8.083 13.464 6.615 1.00 0.00 C ATOM 578 CG LYS B 19 7.117 13.852 7.727 1.00 0.00 C ATOM 579 CD LYS B 19 7.163 12.869 8.886 1.00 0.00 C ATOM 580 CE LYS B 19 8.233 13.242 9.892 1.00 0.00 C ATOM 581 NZ LYS B 19 7.693 13.385 11.272 1.00 0.00 N ATOM 0 H LYS B 19 6.276 11.119 5.356 1.00 0.00 H new ATOM 0 HA LYS B 19 6.378 13.312 5.335 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.789 12.727 6.997 1.00 0.00 H new ATOM 0 HB3 LYS B 19 8.663 14.340 6.325 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.361 14.851 8.088 1.00 0.00 H new ATOM 0 HG3 LYS B 19 6.103 13.896 7.328 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.192 12.843 9.380 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.355 11.866 8.505 1.00 0.00 H new ATOM 0 HE2 LYS B 19 9.013 12.480 9.888 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.701 14.179 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.464 13.641 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.968 14.130 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.270 12.484 11.574 1.00 0.00 H new ATOM 595 N GLN B 20 8.156 12.404 3.120 1.00 0.00 N ATOM 596 CA GLN B 20 8.799 12.676 1.839 1.00 0.00 C ATOM 597 C GLN B 20 7.735 12.787 0.753 1.00 0.00 C ATOM 598 O GLN B 20 6.999 11.841 0.503 1.00 0.00 O ATOM 599 CB GLN B 20 9.794 11.559 1.500 1.00 0.00 C ATOM 600 CG GLN B 20 10.474 11.711 0.144 1.00 0.00 C ATOM 601 CD GLN B 20 11.517 12.814 0.116 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.795 13.398 -0.937 1.00 0.00 O ATOM 603 NE2 GLN B 20 12.108 13.102 1.266 1.00 0.00 N ATOM 0 H GLN B 20 7.749 11.472 3.195 1.00 0.00 H new ATOM 0 HA GLN B 20 9.346 13.617 1.901 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.560 11.524 2.275 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.271 10.603 1.525 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.947 10.767 -0.126 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.717 11.916 -0.613 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.849 12.596 2.113 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.822 13.830 1.304 1.00 0.00 H new ATOM 612 N ASP B 21 7.660 13.947 0.120 1.00 0.00 N ATOM 613 CA ASP B 21 6.671 14.203 -0.928 1.00 0.00 C ATOM 614 C ASP B 21 6.911 13.345 -2.168 1.00 0.00 C ATOM 615 O ASP B 21 8.057 13.069 -2.534 1.00 0.00 O ATOM 616 CB ASP B 21 6.692 15.685 -1.309 1.00 0.00 C ATOM 617 CG ASP B 21 6.073 16.569 -0.244 1.00 0.00 C ATOM 618 OD1 ASP B 21 6.571 16.565 0.905 1.00 0.00 O ATOM 619 OD2 ASP B 21 5.087 17.271 -0.554 1.00 0.00 O ATOM 0 H ASP B 21 8.277 14.736 0.313 1.00 0.00 H new ATOM 0 HA ASP B 21 5.692 13.935 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.722 15.997 -1.482 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.155 15.823 -2.248 1.00 0.00 H new ATOM 624 N GLY B 22 5.821 12.925 -2.809 1.00 0.00 N ATOM 625 CA GLY B 22 5.913 12.107 -4.005 1.00 0.00 C ATOM 626 C GLY B 22 4.549 11.768 -4.581 1.00 0.00 C ATOM 627 O GLY B 22 3.545 12.367 -4.202 1.00 0.00 O ATOM 0 H GLY B 22 4.868 13.140 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.501 12.633 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.445 11.185 -3.771 1.00 0.00 H new ATOM 631 N ALA B 23 4.509 10.803 -5.489 1.00 0.00 N ATOM 632 CA ALA B 23 3.261 10.377 -6.113 1.00 0.00 C ATOM 633 C ALA B 23 3.082 8.874 -5.941 1.00 0.00 C ATOM 634 O ALA B 23 4.027 8.097 -6.105 1.00 0.00 O ATOM 635 CB ALA B 23 3.216 10.773 -7.585 1.00 0.00 C ATOM 0 H ALA B 23 5.333 10.296 -5.813 1.00 0.00 H new ATOM 0 HA ALA B 23 2.434 10.885 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.274 10.442 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.296 11.857 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.046 10.304 -8.113 1.00 0.00 H new ATOM 641 N LEU B 24 1.869 8.474 -5.605 1.00 0.00 N ATOM 642 CA LEU B 24 1.545 7.076 -5.359 1.00 0.00 C ATOM 643 C LEU B 24 0.914 6.424 -6.591 1.00 0.00 C ATOM 644 O LEU B 24 0.144 7.052 -7.306 1.00 0.00 O ATOM 645 CB LEU B 24 0.594 7.002 -4.165 1.00 0.00 C ATOM 646 CG LEU B 24 0.139 5.600 -3.778 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.074 4.978 -2.769 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.276 5.636 -3.232 1.00 0.00 C ATOM 0 H LEU B 24 1.078 9.108 -5.494 1.00 0.00 H new ATOM 0 HA LEU B 24 2.462 6.528 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.083 7.458 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.288 7.604 -4.386 1.00 0.00 H new ATOM 0 HG LEU B 24 0.156 4.983 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.721 3.979 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.076 4.912 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.101 5.594 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.587 4.627 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.310 6.276 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.950 6.030 -3.993 1.00 0.00 H new ATOM 660 N TYR B 25 1.255 5.166 -6.840 1.00 0.00 N ATOM 661 CA TYR B 25 0.714 4.426 -7.976 1.00 0.00 C ATOM 662 C TYR B 25 0.298 3.030 -7.530 1.00 0.00 C ATOM 663 O TYR B 25 1.105 2.279 -6.987 1.00 0.00 O ATOM 664 CB TYR B 25 1.744 4.314 -9.109 1.00 0.00 C ATOM 665 CG TYR B 25 2.415 5.616 -9.491 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.885 6.429 -10.482 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.588 6.023 -8.865 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.504 7.612 -10.840 1.00 0.00 C ATOM 669 CE2 TYR B 25 4.209 7.206 -9.216 1.00 0.00 C ATOM 670 CZ TYR B 25 3.665 7.995 -10.203 1.00 0.00 C ATOM 671 OH TYR B 25 4.283 9.172 -10.558 1.00 0.00 O ATOM 0 H TYR B 25 1.908 4.633 -6.267 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.153 4.970 -8.352 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.512 3.599 -8.813 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.250 3.904 -9.990 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.974 6.133 -10.982 1.00 0.00 H new ATOM 0 HD2 TYR B 25 4.020 5.405 -8.092 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.080 8.233 -11.615 1.00 0.00 H new ATOM 0 HE2 TYR B 25 5.118 7.510 -8.718 1.00 0.00 H new ATOM 0 HH TYR B 25 5.088 9.296 -10.013 1.00 0.00 H new ATOM 681 N LEU B 26 -0.950 2.673 -7.761 1.00 0.00 N ATOM 682 CA LEU B 26 -1.437 1.367 -7.347 1.00 0.00 C ATOM 683 C LEU B 26 -1.589 0.427 -8.527 1.00 0.00 C ATOM 684 O LEU B 26 -2.328 0.713 -9.470 1.00 0.00 O ATOM 685 CB LEU B 26 -2.776 1.491 -6.623 1.00 0.00 C ATOM 686 CG LEU B 26 -2.827 2.568 -5.549 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.132 2.513 -4.795 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.683 2.424 -4.581 1.00 0.00 C ATOM 0 H LEU B 26 -1.641 3.260 -8.228 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.694 0.951 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.553 1.696 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -3.015 0.531 -6.166 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.744 3.532 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.145 3.292 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.959 2.669 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.236 1.538 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.745 3.207 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.736 1.448 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.739 2.513 -5.118 1.00 0.00 H new ATOM 700 N MET B 27 -0.884 -0.688 -8.466 1.00 0.00 N ATOM 701 CA MET B 27 -0.948 -1.698 -9.502 1.00 0.00 C ATOM 702 C MET B 27 -1.908 -2.789 -9.068 1.00 0.00 C ATOM 703 O MET B 27 -2.155 -2.961 -7.879 1.00 0.00 O ATOM 704 CB MET B 27 0.425 -2.303 -9.798 1.00 0.00 C ATOM 705 CG MET B 27 1.462 -1.294 -10.265 1.00 0.00 C ATOM 706 SD MET B 27 2.181 -0.338 -8.917 1.00 0.00 S ATOM 707 CE MET B 27 3.212 0.796 -9.844 1.00 0.00 C ATOM 0 H MET B 27 -0.253 -0.917 -7.698 1.00 0.00 H new ATOM 0 HA MET B 27 -1.299 -1.224 -10.419 1.00 0.00 H new ATOM 0 HB2 MET B 27 0.794 -2.797 -8.899 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.314 -3.073 -10.562 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.257 -1.819 -10.794 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.000 -0.612 -10.979 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.250 0.681 -9.533 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.126 0.579 -10.909 1.00 0.00 H new ATOM 0 HE3 MET B 27 2.888 1.820 -9.655 1.00 0.00 H new ATOM 717 N ALA B 28 -2.408 -3.544 -10.025 1.00 0.00 N ATOM 718 CA ALA B 28 -3.374 -4.610 -9.758 1.00 0.00 C ATOM 719 C ALA B 28 -2.840 -5.668 -8.792 1.00 0.00 C ATOM 720 O ALA B 28 -3.611 -6.388 -8.168 1.00 0.00 O ATOM 721 CB ALA B 28 -3.792 -5.266 -11.065 1.00 0.00 C ATOM 0 H ALA B 28 -2.162 -3.443 -11.010 1.00 0.00 H new ATOM 0 HA ALA B 28 -4.236 -4.147 -9.277 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.511 -6.059 -10.860 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.249 -4.521 -11.716 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.916 -5.689 -11.556 1.00 0.00 H new ATOM 727 N GLU B 29 -1.528 -5.762 -8.672 1.00 0.00 N ATOM 728 CA GLU B 29 -0.916 -6.759 -7.806 1.00 0.00 C ATOM 729 C GLU B 29 -0.117 -6.135 -6.657 1.00 0.00 C ATOM 730 O GLU B 29 0.161 -6.798 -5.646 1.00 0.00 O ATOM 731 CB GLU B 29 0.011 -7.653 -8.643 1.00 0.00 C ATOM 732 CG GLU B 29 -0.488 -7.912 -10.065 1.00 0.00 C ATOM 733 CD GLU B 29 -0.045 -6.851 -11.066 1.00 0.00 C ATOM 734 OE1 GLU B 29 0.214 -5.696 -10.654 1.00 0.00 O ATOM 735 OE2 GLU B 29 0.050 -7.171 -12.268 1.00 0.00 O ATOM 0 H GLU B 29 -0.865 -5.162 -9.162 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.722 -7.342 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.996 -7.189 -8.694 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.134 -8.608 -8.133 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.128 -8.886 -10.396 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.577 -7.961 -10.057 1.00 0.00 H new ATOM 742 N ARG B 30 0.214 -4.855 -6.767 1.00 0.00 N ATOM 743 CA ARG B 30 1.034 -4.221 -5.742 1.00 0.00 C ATOM 744 C ARG B 30 0.818 -2.719 -5.676 1.00 0.00 C ATOM 745 O ARG B 30 0.263 -2.120 -6.583 1.00 0.00 O ATOM 746 CB ARG B 30 2.516 -4.499 -6.025 1.00 0.00 C ATOM 747 CG ARG B 30 3.031 -3.822 -7.290 1.00 0.00 C ATOM 748 CD ARG B 30 4.546 -3.902 -7.402 1.00 0.00 C ATOM 749 NE ARG B 30 5.076 -2.963 -8.394 1.00 0.00 N ATOM 750 CZ ARG B 30 6.108 -2.144 -8.178 1.00 0.00 C ATOM 751 NH1 ARG B 30 6.754 -2.166 -7.018 1.00 0.00 N ATOM 752 NH2 ARG B 30 6.502 -1.310 -9.128 1.00 0.00 N ATOM 0 H ARG B 30 -0.065 -4.247 -7.537 1.00 0.00 H new ATOM 0 HA ARG B 30 0.737 -4.645 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.109 -4.162 -5.175 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.665 -5.575 -6.112 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.578 -4.292 -8.163 1.00 0.00 H new ATOM 0 HG3 ARG B 30 2.722 -2.777 -7.294 1.00 0.00 H new ATOM 0 HD2 ARG B 30 4.992 -3.692 -6.430 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.836 -4.917 -7.673 1.00 0.00 H new ATOM 0 HE ARG B 30 4.627 -2.933 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.463 -2.812 -6.284 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.542 -1.537 -6.861 1.00 0.00 H new ATOM 0 HH21 ARG B 30 6.017 -1.293 -10.025 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.290 -0.684 -8.963 1.00 0.00 H new ATOM 766 N ILE B 31 1.273 -2.125 -4.590 1.00 0.00 N ATOM 767 CA ILE B 31 1.178 -0.691 -4.393 1.00 0.00 C ATOM 768 C ILE B 31 2.589 -0.111 -4.376 1.00 0.00 C ATOM 769 O ILE B 31 3.440 -0.542 -3.591 1.00 0.00 O ATOM 770 CB ILE B 31 0.427 -0.333 -3.082 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.856 1.047 -2.571 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.651 -1.398 -2.015 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.060 1.615 -1.511 1.00 0.00 C ATOM 0 H ILE B 31 1.719 -2.622 -3.819 1.00 0.00 H new ATOM 0 HA ILE B 31 0.601 -0.261 -5.212 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.640 -0.299 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.866 0.977 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.897 1.739 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.114 -1.122 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.283 -2.358 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.716 -1.476 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.307 2.592 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.066 1.718 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -0.083 0.944 -0.652 1.00 0.00 H new ATOM 785 N ALA B 32 2.850 0.829 -5.269 1.00 0.00 N ATOM 786 CA ALA B 32 4.157 1.450 -5.353 1.00 0.00 C ATOM 787 C ALA B 32 4.036 2.960 -5.252 1.00 0.00 C ATOM 788 O ALA B 32 3.007 3.536 -5.590 1.00 0.00 O ATOM 789 CB ALA B 32 4.854 1.057 -6.645 1.00 0.00 C ATOM 0 H ALA B 32 2.172 1.178 -5.946 1.00 0.00 H new ATOM 0 HA ALA B 32 4.759 1.096 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.833 1.533 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.975 -0.026 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.254 1.381 -7.495 1.00 0.00 H new ATOM 795 N TRP B 33 5.074 3.600 -4.765 1.00 0.00 N ATOM 796 CA TRP B 33 5.068 5.040 -4.626 1.00 0.00 C ATOM 797 C TRP B 33 6.473 5.587 -4.848 1.00 0.00 C ATOM 798 O TRP B 33 7.456 5.009 -4.375 1.00 0.00 O ATOM 799 CB TRP B 33 4.496 5.417 -3.249 1.00 0.00 C ATOM 800 CG TRP B 33 4.703 6.845 -2.839 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.804 7.859 -2.967 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.861 7.414 -2.215 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.331 9.024 -2.484 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.593 8.778 -2.013 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.099 6.905 -1.814 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.516 9.638 -1.429 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.013 7.760 -1.232 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.717 9.113 -1.044 1.00 0.00 C ATOM 0 H TRP B 33 5.935 3.147 -4.458 1.00 0.00 H new ATOM 0 HA TRP B 33 4.427 5.493 -5.382 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.426 5.207 -3.248 1.00 0.00 H new ATOM 0 HB3 TRP B 33 4.948 4.771 -2.497 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.815 7.758 -3.390 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.861 9.929 -2.476 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.336 5.861 -1.957 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.291 10.685 -1.285 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 8.972 7.377 -0.917 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.453 9.757 -0.585 1.00 0.00 H new ATOM 819 N ALA B 34 6.560 6.677 -5.594 1.00 0.00 N ATOM 820 CA ALA B 34 7.838 7.302 -5.892 1.00 0.00 C ATOM 821 C ALA B 34 7.837 8.746 -5.423 1.00 0.00 C ATOM 822 O ALA B 34 6.868 9.471 -5.639 1.00 0.00 O ATOM 823 CB ALA B 34 8.128 7.232 -7.385 1.00 0.00 C ATOM 0 H ALA B 34 5.755 7.149 -6.006 1.00 0.00 H new ATOM 0 HA ALA B 34 8.622 6.762 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.088 7.704 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.161 6.189 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.342 7.752 -7.933 1.00 0.00 H new ATOM 829 N PRO B 35 8.918 9.183 -4.770 1.00 0.00 N ATOM 830 CA PRO B 35 9.032 10.545 -4.267 1.00 0.00 C ATOM 831 C PRO B 35 9.230 11.552 -5.397 1.00 0.00 C ATOM 832 O PRO B 35 9.812 11.233 -6.436 1.00 0.00 O ATOM 833 CB PRO B 35 10.262 10.507 -3.349 1.00 0.00 C ATOM 834 CG PRO B 35 10.666 9.070 -3.255 1.00 0.00 C ATOM 835 CD PRO B 35 10.117 8.394 -4.476 1.00 0.00 C ATOM 0 HA PRO B 35 8.127 10.864 -3.749 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.071 11.113 -3.756 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.026 10.911 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.751 8.974 -3.213 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.270 8.614 -2.348 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.827 8.413 -5.303 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.877 7.348 -4.286 1.00 0.00 H new ATOM 843 N GLU B 36 8.750 12.768 -5.181 1.00 0.00 N ATOM 844 CA GLU B 36 8.856 13.827 -6.171 1.00 0.00 C ATOM 845 C GLU B 36 10.316 14.182 -6.435 1.00 0.00 C ATOM 846 O GLU B 36 11.076 14.483 -5.506 1.00 0.00 O ATOM 847 CB GLU B 36 8.081 15.061 -5.710 1.00 0.00 C ATOM 848 CG GLU B 36 6.577 14.944 -5.910 1.00 0.00 C ATOM 849 CD GLU B 36 5.799 16.003 -5.153 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.219 17.178 -5.160 1.00 0.00 O ATOM 851 OE2 GLU B 36 4.759 15.667 -4.543 1.00 0.00 O ATOM 0 H GLU B 36 8.279 13.046 -4.320 1.00 0.00 H new ATOM 0 HA GLU B 36 8.422 13.468 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU B 36 8.286 15.235 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.445 15.933 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.349 15.023 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU B 36 6.248 13.957 -5.586 1.00 0.00 H new ATOM 858 N GLY B 37 10.706 14.108 -7.699 1.00 0.00 N ATOM 859 CA GLY B 37 12.068 14.424 -8.083 1.00 0.00 C ATOM 860 C GLY B 37 12.957 13.198 -8.130 1.00 0.00 C ATOM 861 O GLY B 37 14.169 13.312 -8.298 1.00 0.00 O ATOM 0 H GLY B 37 10.099 13.833 -8.471 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.064 14.904 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.483 15.143 -7.377 1.00 0.00 H new ATOM 865 N LYS B 38 12.361 12.025 -7.954 1.00 0.00 N ATOM 866 CA LYS B 38 13.112 10.777 -7.986 1.00 0.00 C ATOM 867 C LYS B 38 12.700 9.949 -9.196 1.00 0.00 C ATOM 868 O LYS B 38 11.558 10.022 -9.648 1.00 0.00 O ATOM 869 CB LYS B 38 12.911 9.985 -6.686 1.00 0.00 C ATOM 870 CG LYS B 38 13.600 10.609 -5.475 1.00 0.00 C ATOM 871 CD LYS B 38 12.834 11.819 -4.958 1.00 0.00 C ATOM 872 CE LYS B 38 13.637 12.627 -3.954 1.00 0.00 C ATOM 873 NZ LYS B 38 12.868 13.804 -3.462 1.00 0.00 N ATOM 0 H LYS B 38 11.361 11.912 -7.788 1.00 0.00 H new ATOM 0 HA LYS B 38 14.173 11.012 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.843 9.902 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.289 8.972 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.687 9.866 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.613 10.907 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.559 12.458 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS B 38 11.906 11.487 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS B 38 13.912 11.993 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.565 12.964 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.523 14.583 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.193 14.107 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.350 13.544 -2.598 1.00 0.00 H new ATOM 887 N ASP B 39 13.636 9.165 -9.711 1.00 0.00 N ATOM 888 CA ASP B 39 13.399 8.333 -10.889 1.00 0.00 C ATOM 889 C ASP B 39 13.045 6.898 -10.510 1.00 0.00 C ATOM 890 O ASP B 39 12.777 6.068 -11.377 1.00 0.00 O ATOM 891 CB ASP B 39 14.653 8.320 -11.771 1.00 0.00 C ATOM 892 CG ASP B 39 15.816 7.589 -11.115 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.957 7.672 -9.872 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.595 6.927 -11.830 1.00 0.00 O ATOM 0 H ASP B 39 14.578 9.085 -9.328 1.00 0.00 H new ATOM 0 HA ASP B 39 12.555 8.761 -11.430 1.00 0.00 H new ATOM 0 HB2 ASP B 39 14.419 7.844 -12.723 1.00 0.00 H new ATOM 0 HB3 ASP B 39 14.950 9.345 -11.991 1.00 0.00 H new ATOM 899 N ARG B 40 13.030 6.606 -9.221 1.00 0.00 N ATOM 900 CA ARG B 40 12.735 5.256 -8.768 1.00 0.00 C ATOM 901 C ARG B 40 11.711 5.242 -7.641 1.00 0.00 C ATOM 902 O ARG B 40 11.607 6.191 -6.862 1.00 0.00 O ATOM 903 CB ARG B 40 14.025 4.563 -8.320 1.00 0.00 C ATOM 904 CG ARG B 40 14.829 5.353 -7.297 1.00 0.00 C ATOM 905 CD ARG B 40 16.318 5.078 -7.434 1.00 0.00 C ATOM 906 NE ARG B 40 16.816 5.438 -8.760 1.00 0.00 N ATOM 907 CZ ARG B 40 17.774 4.783 -9.413 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.399 3.760 -8.836 1.00 0.00 N ATOM 909 NH2 ARG B 40 18.108 5.157 -10.641 1.00 0.00 N ATOM 0 H ARG B 40 13.216 7.277 -8.476 1.00 0.00 H new ATOM 0 HA ARG B 40 12.301 4.713 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.775 3.590 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.649 4.380 -9.194 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.640 6.419 -7.427 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.500 5.091 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.863 5.641 -6.676 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.511 4.022 -7.247 1.00 0.00 H new ATOM 0 HE ARG B 40 16.400 6.249 -9.218 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.145 3.475 -7.890 1.00 0.00 H new ATOM 0 HH12 ARG B 40 19.132 3.261 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG B 40 17.632 5.944 -11.082 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.841 4.658 -11.144 1.00 0.00 H new ATOM 923 N PHE B 41 10.956 4.151 -7.572 1.00 0.00 N ATOM 924 CA PHE B 41 9.939 3.976 -6.546 1.00 0.00 C ATOM 925 C PHE B 41 10.580 3.438 -5.276 1.00 0.00 C ATOM 926 O PHE B 41 11.196 2.374 -5.294 1.00 0.00 O ATOM 927 CB PHE B 41 8.854 2.996 -7.014 1.00 0.00 C ATOM 928 CG PHE B 41 8.243 3.323 -8.349 1.00 0.00 C ATOM 929 CD1 PHE B 41 7.074 4.063 -8.428 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.832 2.882 -9.525 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.505 4.357 -9.651 1.00 0.00 C ATOM 932 CE2 PHE B 41 8.267 3.176 -10.752 1.00 0.00 C ATOM 933 CZ PHE B 41 7.102 3.914 -10.814 1.00 0.00 C ATOM 0 H PHE B 41 11.032 3.369 -8.222 1.00 0.00 H new ATOM 0 HA PHE B 41 9.479 4.945 -6.352 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.284 1.996 -7.062 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.063 2.967 -6.265 1.00 0.00 H new ATOM 0 HD1 PHE B 41 6.602 4.414 -7.522 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.742 2.302 -9.482 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.593 4.934 -9.698 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.736 2.829 -11.661 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.658 4.144 -11.771 1.00 0.00 H new ATOM 943 N THR B 42 10.445 4.169 -4.182 1.00 0.00 N ATOM 944 CA THR B 42 11.014 3.740 -2.915 1.00 0.00 C ATOM 945 C THR B 42 10.035 2.844 -2.167 1.00 0.00 C ATOM 946 O THR B 42 10.422 2.059 -1.303 1.00 0.00 O ATOM 947 CB THR B 42 11.380 4.950 -2.041 1.00 0.00 C ATOM 948 OG1 THR B 42 10.434 6.005 -2.259 1.00 0.00 O ATOM 949 CG2 THR B 42 12.783 5.449 -2.360 1.00 0.00 C ATOM 0 H THR B 42 9.948 5.059 -4.145 1.00 0.00 H new ATOM 0 HA THR B 42 11.922 3.176 -3.130 1.00 0.00 H new ATOM 0 HB THR B 42 11.354 4.640 -0.996 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.590 5.785 -1.812 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.017 6.306 -1.728 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.504 4.653 -2.174 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.834 5.746 -3.407 1.00 0.00 H new ATOM 957 N ILE B 43 8.762 2.969 -2.514 1.00 0.00 N ATOM 958 CA ILE B 43 7.718 2.176 -1.891 1.00 0.00 C ATOM 959 C ILE B 43 7.298 1.040 -2.814 1.00 0.00 C ATOM 960 O ILE B 43 6.917 1.272 -3.963 1.00 0.00 O ATOM 961 CB ILE B 43 6.493 3.050 -1.532 1.00 0.00 C ATOM 962 CG1 ILE B 43 6.810 3.931 -0.321 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.258 2.199 -1.265 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.341 3.162 0.872 1.00 0.00 C ATOM 0 H ILE B 43 8.428 3.617 -3.228 1.00 0.00 H new ATOM 0 HA ILE B 43 8.118 1.756 -0.968 1.00 0.00 H new ATOM 0 HB ILE B 43 6.274 3.689 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.543 4.683 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.907 4.464 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.417 2.846 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.017 1.618 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.455 1.523 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.542 3.853 1.690 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.601 2.428 1.191 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.263 2.650 0.594 1.00 0.00 H new ATOM 976 N SER B 44 7.400 -0.181 -2.315 1.00 0.00 N ATOM 977 CA SER B 44 7.029 -1.355 -3.082 1.00 0.00 C ATOM 978 C SER B 44 6.483 -2.434 -2.159 1.00 0.00 C ATOM 979 O SER B 44 7.243 -3.128 -1.481 1.00 0.00 O ATOM 980 CB SER B 44 8.239 -1.884 -3.861 1.00 0.00 C ATOM 981 OG SER B 44 7.910 -3.055 -4.592 1.00 0.00 O ATOM 0 H SER B 44 7.739 -0.384 -1.375 1.00 0.00 H new ATOM 0 HA SER B 44 6.251 -1.077 -3.793 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.598 -1.115 -4.545 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.053 -2.101 -3.169 1.00 0.00 H new ATOM 0 HG SER B 44 8.700 -3.369 -5.080 1.00 0.00 H new ATOM 987 N HIS B 45 5.166 -2.565 -2.126 1.00 0.00 N ATOM 988 CA HIS B 45 4.519 -3.564 -1.286 1.00 0.00 C ATOM 989 C HIS B 45 3.453 -4.290 -2.083 1.00 0.00 C ATOM 990 O HIS B 45 2.740 -3.675 -2.875 1.00 0.00 O ATOM 991 CB HIS B 45 3.871 -2.913 -0.054 1.00 0.00 C ATOM 992 CG HIS B 45 4.746 -1.921 0.649 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.746 -2.259 1.533 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.768 -0.569 0.559 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.333 -1.128 1.942 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.778 -0.074 1.378 1.00 0.00 N ATOM 0 H HIS B 45 4.522 -1.992 -2.672 1.00 0.00 H new ATOM 0 HA HIS B 45 5.280 -4.269 -0.950 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.951 -2.415 -0.362 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.590 -3.696 0.651 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.995 -3.204 1.825 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.107 0.029 -0.051 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.154 -1.085 2.642 1.00 0.00 H new ATOM 1004 N MET B 46 3.351 -5.592 -1.903 1.00 0.00 N ATOM 1005 CA MET B 46 2.342 -6.359 -2.604 1.00 0.00 C ATOM 1006 C MET B 46 1.144 -6.545 -1.694 1.00 0.00 C ATOM 1007 O MET B 46 1.289 -6.608 -0.477 1.00 0.00 O ATOM 1008 CB MET B 46 2.885 -7.716 -3.061 1.00 0.00 C ATOM 1009 CG MET B 46 3.887 -7.615 -4.198 1.00 0.00 C ATOM 1010 SD MET B 46 4.081 -9.162 -5.102 1.00 0.00 S ATOM 1011 CE MET B 46 2.430 -9.390 -5.758 1.00 0.00 C ATOM 0 H MET B 46 3.949 -6.137 -1.282 1.00 0.00 H new ATOM 0 HA MET B 46 2.045 -5.813 -3.499 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.357 -8.214 -2.214 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.052 -8.345 -3.376 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.568 -6.834 -4.888 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.854 -7.311 -3.797 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.471 -10.049 -6.625 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.793 -9.835 -4.994 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.020 -8.425 -6.055 1.00 0.00 H new ATOM 1021 N TYR B 47 -0.039 -6.620 -2.284 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.279 -6.788 -1.518 1.00 0.00 C ATOM 1023 C TYR B 47 -1.238 -8.059 -0.666 1.00 0.00 C ATOM 1024 O TYR B 47 -1.914 -8.155 0.355 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.458 -6.822 -2.485 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.556 -5.556 -3.300 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.230 -4.329 -2.735 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.956 -5.579 -4.626 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.301 -3.165 -3.464 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -3.031 -4.414 -5.363 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.701 -3.210 -4.775 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.770 -2.047 -5.501 1.00 0.00 O ATOM 0 H TYR B 47 -0.174 -6.568 -3.294 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.392 -5.946 -0.835 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.354 -7.677 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.382 -6.966 -1.925 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.915 -4.289 -1.703 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.212 -6.520 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -2.043 -2.221 -3.007 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.347 -4.445 -6.395 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.306 -2.167 -6.356 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.405 -9.007 -1.071 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.276 -10.271 -0.362 1.00 0.00 C ATOM 1044 C ALA B 48 0.429 -10.104 0.988 1.00 0.00 C ATOM 1045 O ALA B 48 0.215 -10.904 1.897 1.00 0.00 O ATOM 1046 CB ALA B 48 0.463 -11.279 -1.226 1.00 0.00 C ATOM 0 H ALA B 48 0.195 -8.923 -1.892 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.281 -10.639 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.555 -12.222 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.091 -11.442 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.457 -10.897 -1.461 1.00 0.00 H new ATOM 1052 N ASP B 49 1.255 -9.061 1.116 1.00 0.00 N ATOM 1053 CA ASP B 49 1.989 -8.802 2.350 1.00 0.00 C ATOM 1054 C ASP B 49 1.265 -7.774 3.204 1.00 0.00 C ATOM 1055 O ASP B 49 1.682 -7.479 4.330 1.00 0.00 O ATOM 1056 CB ASP B 49 3.387 -8.260 2.081 1.00 0.00 C ATOM 1057 CG ASP B 49 4.000 -8.733 0.778 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.441 -9.897 0.711 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.056 -7.927 -0.179 1.00 0.00 O ATOM 0 H ASP B 49 1.430 -8.382 0.375 1.00 0.00 H new ATOM 0 HA ASP B 49 2.058 -9.760 2.866 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.347 -7.171 2.076 1.00 0.00 H new ATOM 0 HB3 ASP B 49 4.041 -8.551 2.903 1.00 0.00 H new ATOM 1064 N ILE B 50 0.187 -7.221 2.683 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.569 -6.236 3.432 1.00 0.00 C ATOM 1066 C ILE B 50 -1.526 -6.966 4.371 1.00 0.00 C ATOM 1067 O ILE B 50 -2.226 -7.894 3.959 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.377 -5.292 2.515 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.577 -4.916 1.259 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.791 -4.042 3.275 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.526 -3.907 1.490 1.00 0.00 C ATOM 0 H ILE B 50 -0.182 -7.433 1.756 1.00 0.00 H new ATOM 0 HA ILE B 50 0.138 -5.622 3.989 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.274 -5.822 2.194 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.140 -5.822 0.839 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.264 -4.518 0.513 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.360 -3.387 2.615 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.409 -4.323 4.128 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.902 -3.519 3.627 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.036 -3.703 0.548 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.098 -2.983 1.879 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.240 -4.307 2.210 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.548 -6.572 5.631 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.414 -7.217 6.604 1.00 0.00 C ATOM 1085 C LYS B 51 -3.747 -6.496 6.684 1.00 0.00 C ATOM 1086 O LYS B 51 -4.782 -7.117 6.862 1.00 0.00 O ATOM 1087 CB LYS B 51 -1.756 -7.244 7.982 1.00 0.00 C ATOM 1088 CG LYS B 51 -2.604 -7.920 9.041 1.00 0.00 C ATOM 1089 CD LYS B 51 -2.001 -7.764 10.424 1.00 0.00 C ATOM 1090 CE LYS B 51 -3.085 -7.584 11.469 1.00 0.00 C ATOM 1091 NZ LYS B 51 -3.445 -6.158 11.654 1.00 0.00 N ATOM 0 H LYS B 51 -0.979 -5.812 6.005 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.583 -8.244 6.279 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -0.799 -7.760 7.909 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -1.544 -6.222 8.295 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -3.607 -7.494 9.031 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -2.705 -8.979 8.805 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -1.400 -8.641 10.664 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.330 -6.905 10.438 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.971 -8.146 11.173 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -2.746 -7.999 12.418 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -4.368 -6.092 12.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -2.722 -5.690 12.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.498 -5.690 10.727 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.693 -5.182 6.572 1.00 0.00 N ATOM 1106 CA CYS B 52 -4.866 -4.342 6.624 1.00 0.00 C ATOM 1107 C CYS B 52 -4.481 -2.936 6.204 1.00 0.00 C ATOM 1108 O CYS B 52 -3.316 -2.673 5.905 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.449 -4.347 8.034 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.204 -4.334 9.345 1.00 0.00 S ATOM 0 H CYS B 52 -2.823 -4.666 6.441 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.628 -4.722 5.943 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.095 -3.477 8.152 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.078 -5.229 8.153 1.00 0.00 H new ATOM 0 HG CYS B 52 -4.070 -3.125 9.804 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.434 -2.030 6.192 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.152 -0.669 5.789 1.00 0.00 C ATOM 1118 C GLN B 53 -5.890 0.335 6.673 1.00 0.00 C ATOM 1119 O GLN B 53 -7.001 0.068 7.127 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.584 -0.468 4.345 1.00 0.00 C ATOM 1121 CG GLN B 53 -7.009 -0.922 4.094 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.565 -0.457 2.769 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -7.271 0.645 2.300 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.362 -1.305 2.151 1.00 0.00 N ATOM 0 H GLN B 53 -6.403 -2.208 6.454 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.080 -0.501 5.892 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.492 0.587 4.085 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.910 -1.018 3.688 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.047 -2.011 4.133 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.647 -0.552 4.897 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.577 -2.206 2.578 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.764 -1.060 1.246 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.260 1.465 6.958 1.00 0.00 N ATOM 1134 CA LYS B 54 -5.916 2.510 7.730 1.00 0.00 C ATOM 1135 C LYS B 54 -6.093 3.748 6.870 1.00 0.00 C ATOM 1136 O LYS B 54 -5.295 4.000 5.971 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.110 2.942 8.954 1.00 0.00 C ATOM 1138 CG LYS B 54 -4.938 1.921 10.050 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.747 2.653 11.365 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.134 1.782 12.458 1.00 0.00 C ATOM 1141 NZ LYS B 54 -4.459 0.332 12.307 1.00 0.00 N ATOM 0 H LYS B 54 -4.306 1.681 6.670 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.867 2.090 8.057 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.120 3.249 8.618 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.589 3.823 9.382 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -5.811 1.271 10.102 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.078 1.284 9.843 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.108 3.520 11.200 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.711 3.028 11.707 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.051 1.908 12.449 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.487 2.128 13.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -4.453 -0.124 13.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.401 0.230 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -3.750 -0.121 11.696 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.133 4.516 7.139 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.355 5.762 6.424 1.00 0.00 C ATOM 1157 C ILE B 55 -7.614 6.851 7.460 1.00 0.00 C ATOM 1158 O ILE B 55 -8.408 6.659 8.380 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.517 5.686 5.382 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.870 6.091 5.971 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.621 4.282 4.800 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.760 6.797 4.967 1.00 0.00 C ATOM 0 H ILE B 55 -7.836 4.301 7.846 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.466 5.986 5.835 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.272 6.400 4.596 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.381 5.202 6.341 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.707 6.745 6.828 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.435 4.248 4.076 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.685 4.023 4.305 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.817 3.570 5.601 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.706 7.060 5.441 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.265 7.703 4.616 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.950 6.136 4.121 1.00 0.00 H new ATOM 1174 N SER B 56 -6.908 7.965 7.368 1.00 0.00 N ATOM 1175 CA SER B 56 -7.097 9.026 8.334 1.00 0.00 C ATOM 1176 C SER B 56 -8.156 9.988 7.822 1.00 0.00 C ATOM 1177 O SER B 56 -8.019 10.572 6.727 1.00 0.00 O ATOM 1178 CB SER B 56 -5.785 9.743 8.656 1.00 0.00 C ATOM 1179 OG SER B 56 -5.566 10.852 7.815 1.00 0.00 O ATOM 0 H SER B 56 -6.212 8.154 6.647 1.00 0.00 H new ATOM 0 HA SER B 56 -7.441 8.590 9.272 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.799 10.073 9.695 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.956 9.043 8.555 1.00 0.00 H new ATOM 0 HG SER B 56 -4.919 11.457 8.234 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.217 10.125 8.632 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.404 10.949 8.356 1.00 0.00 C ATOM 1187 C PRO B 57 -10.175 12.449 8.458 1.00 0.00 C ATOM 1188 O PRO B 57 -9.097 12.915 8.838 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.381 10.511 9.450 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.499 10.136 10.584 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.318 9.471 9.953 1.00 0.00 C ATOM 0 HA PRO B 57 -10.742 10.801 7.330 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.063 11.316 9.723 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.994 9.670 9.125 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.198 11.013 11.157 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.008 9.464 11.274 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.413 9.617 10.543 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.467 8.395 9.858 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.211 13.190 8.075 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.204 14.643 8.125 1.00 0.00 C ATOM 1201 C GLU B 58 -10.956 15.125 9.551 1.00 0.00 C ATOM 1202 O GLU B 58 -11.172 14.392 10.517 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.536 15.209 7.616 1.00 0.00 C ATOM 1204 CG GLU B 58 -13.076 14.514 6.374 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.003 14.246 5.338 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.387 15.213 4.854 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -11.773 13.060 5.020 1.00 0.00 O ATOM 0 H GLU B 58 -12.082 12.794 7.720 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.400 14.999 7.481 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.277 15.134 8.412 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.408 16.269 7.398 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.539 13.571 6.663 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -13.858 15.130 5.930 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.537 16.369 9.672 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.235 16.933 10.971 1.00 0.00 C ATOM 1216 C GLY B 59 -8.762 17.231 11.078 1.00 0.00 C ATOM 1217 O GLY B 59 -8.346 18.148 11.784 1.00 0.00 O ATOM 0 H GLY B 59 -10.398 17.007 8.888 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.810 17.846 11.122 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.531 16.237 11.756 1.00 0.00 H new ATOM 1221 N LYS B 60 -7.976 16.451 10.355 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.541 16.643 10.305 1.00 0.00 C ATOM 1223 C LYS B 60 -6.227 17.591 9.170 1.00 0.00 C ATOM 1224 O LYS B 60 -6.995 17.705 8.217 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.808 15.315 10.084 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.432 14.596 11.365 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.550 13.379 11.096 1.00 0.00 C ATOM 1228 CE LYS B 60 -3.978 12.807 12.384 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.712 13.288 13.584 1.00 0.00 N ATOM 0 H LYS B 60 -8.314 15.672 9.790 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.204 17.054 11.257 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.439 14.659 9.484 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.903 15.503 9.506 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.908 15.285 12.028 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.337 14.281 11.884 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.132 12.613 10.584 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.735 13.660 10.428 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.019 11.718 12.346 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.927 13.083 12.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.454 12.705 14.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.460 14.280 13.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.736 13.217 13.416 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.107 18.276 9.277 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.691 19.204 8.241 1.00 0.00 C ATOM 1245 C ALA B 61 -4.273 18.451 7.000 1.00 0.00 C ATOM 1246 O ALA B 61 -4.083 19.034 5.935 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.542 20.048 8.734 1.00 0.00 C ATOM 0 H ALA B 61 -4.468 18.209 10.069 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.533 19.851 7.996 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.237 20.741 7.950 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.855 20.610 9.614 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.703 19.403 8.995 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.124 17.151 7.152 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.726 16.316 6.056 1.00 0.00 C ATOM 1255 C LYS B 62 -4.525 15.022 6.046 1.00 0.00 C ATOM 1256 O LYS B 62 -4.812 14.450 7.098 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.235 15.993 6.136 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.802 15.405 7.469 1.00 0.00 C ATOM 1259 CD LYS B 62 -1.104 16.441 8.332 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.403 15.791 9.508 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.340 16.782 10.330 1.00 0.00 N ATOM 0 H LYS B 62 -4.275 16.656 8.031 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.923 16.863 5.134 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -1.982 15.291 5.341 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.666 16.904 5.950 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -2.673 15.017 7.997 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.132 14.563 7.296 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.379 16.990 7.731 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.832 17.166 8.695 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -1.138 15.281 10.131 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.288 15.031 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.301 16.430 10.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 0.394 17.686 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.155 16.924 11.233 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.888 14.581 4.860 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.618 13.340 4.691 1.00 0.00 C ATOM 1277 C ILE B 63 -4.593 12.213 4.643 1.00 0.00 C ATOM 1278 O ILE B 63 -3.534 12.389 4.053 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.460 13.384 3.399 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.640 14.344 3.569 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -6.953 12.005 3.016 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.382 15.740 3.042 1.00 0.00 C ATOM 0 H ILE B 63 -4.687 15.070 3.988 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.310 13.181 5.518 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.822 13.746 2.593 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.509 13.929 3.058 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.893 14.408 4.627 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.543 12.070 2.102 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.100 11.346 2.851 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.571 11.604 3.819 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.266 16.358 3.200 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.534 16.177 3.570 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.160 15.691 1.976 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.858 11.065 5.257 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.836 10.011 5.253 1.00 0.00 C ATOM 1296 C GLN B 64 -4.379 8.615 5.056 1.00 0.00 C ATOM 1297 O GLN B 64 -5.571 8.354 5.175 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.037 9.999 6.552 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.323 11.290 6.880 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.727 11.250 8.267 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -2.347 10.472 9.155 1.00 0.00 O flip ATOM 1302 NE2 GLN B 64 -0.718 11.899 8.536 1.00 0.00 N flip ATOM 0 H GLN B 64 -5.726 10.840 5.743 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.208 10.264 4.398 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.712 9.757 7.373 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.300 9.198 6.499 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.535 11.468 6.148 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.022 12.123 6.806 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -0.280 12.480 7.821 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -0.319 11.856 9.474 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.461 7.735 4.706 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.730 6.329 4.529 1.00 0.00 C ATOM 1313 C LEU B 65 -2.520 5.566 5.052 1.00 0.00 C ATOM 1314 O LEU B 65 -1.437 6.128 5.094 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.914 5.997 3.057 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.822 4.812 2.771 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.250 5.278 2.575 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.323 4.038 1.570 1.00 0.00 C ATOM 0 H LEU B 65 -2.488 7.987 4.534 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.642 6.058 5.061 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.317 6.874 2.551 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.935 5.798 2.620 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.804 4.140 3.629 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.888 4.418 2.371 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.596 5.781 3.478 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.295 5.971 1.735 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.986 3.193 1.381 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.308 4.691 0.697 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.315 3.672 1.766 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.678 4.333 5.497 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.523 3.576 5.966 1.00 0.00 C ATOM 1332 C GLN B 66 -1.685 2.093 5.663 1.00 0.00 C ATOM 1333 O GLN B 66 -2.765 1.524 5.822 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.259 3.802 7.466 1.00 0.00 C ATOM 1335 CG GLN B 66 -1.952 2.820 8.392 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.507 2.939 9.842 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.490 1.955 10.575 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.167 4.143 10.272 1.00 0.00 N ATOM 0 H GLN B 66 -3.570 3.840 5.545 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.653 3.945 5.423 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.185 3.749 7.643 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.576 4.811 7.728 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.029 2.978 8.336 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.760 1.805 8.043 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.193 4.939 9.634 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -0.879 4.276 11.241 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.607 1.486 5.201 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.594 0.073 4.881 1.00 0.00 C ATOM 1349 C LEU B 67 -0.089 -0.718 6.067 1.00 0.00 C ATOM 1350 O LEU B 67 1.104 -0.733 6.345 1.00 0.00 O ATOM 1351 CB LEU B 67 0.319 -0.209 3.694 1.00 0.00 C ATOM 1352 CG LEU B 67 -0.097 0.410 2.367 1.00 0.00 C ATOM 1353 CD1 LEU B 67 0.944 0.094 1.310 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.466 -0.101 1.942 1.00 0.00 C ATOM 0 H LEU B 67 0.282 1.959 5.038 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.613 -0.222 4.632 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.320 0.146 3.939 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.387 -1.289 3.562 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.165 1.491 2.486 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.645 0.538 0.360 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.907 0.503 1.614 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.029 -0.987 1.195 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.745 0.353 0.991 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.431 -1.185 1.830 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.204 0.162 2.700 1.00 0.00 H new ATOM 1366 N VAL B 68 -0.986 -1.364 6.767 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.607 -2.155 7.915 1.00 0.00 C ATOM 1368 C VAL B 68 -0.279 -3.562 7.447 1.00 0.00 C ATOM 1369 O VAL B 68 -1.154 -4.298 7.011 1.00 0.00 O ATOM 1370 CB VAL B 68 -1.731 -2.171 8.958 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.224 -2.692 10.284 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.301 -0.777 9.122 1.00 0.00 C ATOM 0 H VAL B 68 -1.986 -1.359 6.564 1.00 0.00 H new ATOM 0 HA VAL B 68 0.270 -1.717 8.391 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.519 -2.839 8.611 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.038 -2.695 11.009 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -0.848 -3.707 10.156 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.420 -2.050 10.644 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.099 -0.795 9.864 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.514 -0.099 9.452 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.701 -0.433 8.168 1.00 0.00 H new ATOM 1382 N LEU B 69 0.987 -3.924 7.515 1.00 0.00 N ATOM 1383 CA LEU B 69 1.429 -5.225 7.036 1.00 0.00 C ATOM 1384 C LEU B 69 1.558 -6.244 8.149 1.00 0.00 C ATOM 1385 O LEU B 69 1.751 -5.897 9.312 1.00 0.00 O ATOM 1386 CB LEU B 69 2.774 -5.083 6.333 1.00 0.00 C ATOM 1387 CG LEU B 69 2.964 -3.767 5.591 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.352 -3.683 5.008 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.933 -3.621 4.496 1.00 0.00 C ATOM 0 H LEU B 69 1.730 -3.338 7.897 1.00 0.00 H new ATOM 0 HA LEU B 69 0.668 -5.586 6.344 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.568 -5.187 7.072 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.888 -5.904 5.625 1.00 0.00 H new ATOM 0 HG LEU B 69 2.834 -2.953 6.304 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.469 -2.736 4.482 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.088 -3.746 5.810 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.504 -4.507 4.311 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.085 -2.675 3.977 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.035 -4.443 3.788 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.934 -3.640 4.932 1.00 0.00 H new ATOM 1401 N HIS B 70 1.462 -7.515 7.775 1.00 0.00 N ATOM 1402 CA HIS B 70 1.605 -8.604 8.732 1.00 0.00 C ATOM 1403 C HIS B 70 3.083 -8.869 8.963 1.00 0.00 C ATOM 1404 O HIS B 70 3.466 -9.783 9.687 1.00 0.00 O ATOM 1405 CB HIS B 70 0.898 -9.887 8.264 1.00 0.00 C ATOM 1406 CG HIS B 70 0.796 -10.046 6.775 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.352 -9.789 6.058 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.714 -10.464 5.861 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.098 -10.055 4.774 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.133 -10.475 4.613 1.00 0.00 N ATOM 0 H HIS B 70 1.286 -7.816 6.816 1.00 0.00 H new ATOM 0 HA HIS B 70 1.127 -8.303 9.664 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.430 -10.747 8.671 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.107 -9.905 8.686 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.237 -9.455 6.439 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.734 -10.742 6.080 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.813 -9.939 3.973 1.00 0.00 H new ATOM 1418 N ALA B 71 3.898 -8.046 8.321 1.00 0.00 N ATOM 1419 CA ALA B 71 5.341 -8.131 8.427 1.00 0.00 C ATOM 1420 C ALA B 71 5.823 -7.368 9.654 1.00 0.00 C ATOM 1421 O ALA B 71 7.002 -7.400 9.997 1.00 0.00 O ATOM 1422 CB ALA B 71 5.973 -7.566 7.160 1.00 0.00 C ATOM 0 H ALA B 71 3.572 -7.298 7.709 1.00 0.00 H new ATOM 0 HA ALA B 71 5.638 -9.174 8.538 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.059 -7.628 7.236 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.636 -8.141 6.298 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.677 -6.524 7.039 1.00 0.00 H new ATOM 1428 N GLY B 72 4.891 -6.684 10.312 1.00 0.00 N ATOM 1429 CA GLY B 72 5.225 -5.909 11.489 1.00 0.00 C ATOM 1430 C GLY B 72 5.574 -4.480 11.133 1.00 0.00 C ATOM 1431 O GLY B 72 6.150 -3.752 11.938 1.00 0.00 O ATOM 0 H GLY B 72 3.906 -6.654 10.047 1.00 0.00 H new ATOM 0 HA2 GLY B 72 4.384 -5.917 12.182 1.00 0.00 H new ATOM 0 HA3 GLY B 72 6.066 -6.372 12.004 1.00 0.00 H new ATOM 1435 N ASP B 73 5.207 -4.086 9.923 1.00 0.00 N ATOM 1436 CA ASP B 73 5.488 -2.744 9.429 1.00 0.00 C ATOM 1437 C ASP B 73 4.214 -2.070 8.944 1.00 0.00 C ATOM 1438 O ASP B 73 3.246 -2.741 8.575 1.00 0.00 O ATOM 1439 CB ASP B 73 6.517 -2.806 8.292 1.00 0.00 C ATOM 1440 CG ASP B 73 6.750 -1.458 7.628 1.00 0.00 C ATOM 1441 OD1 ASP B 73 7.325 -0.565 8.283 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.353 -1.293 6.453 1.00 0.00 O ATOM 0 H ASP B 73 4.710 -4.681 9.260 1.00 0.00 H new ATOM 0 HA ASP B 73 5.898 -2.155 10.249 1.00 0.00 H new ATOM 0 HB2 ASP B 73 7.463 -3.180 8.685 1.00 0.00 H new ATOM 0 HB3 ASP B 73 6.179 -3.521 7.542 1.00 0.00 H new ATOM 1447 N THR B 74 4.211 -0.751 8.973 1.00 0.00 N ATOM 1448 CA THR B 74 3.083 0.028 8.515 1.00 0.00 C ATOM 1449 C THR B 74 3.586 1.102 7.554 1.00 0.00 C ATOM 1450 O THR B 74 4.532 1.827 7.858 1.00 0.00 O ATOM 1451 CB THR B 74 2.352 0.696 9.698 1.00 0.00 C ATOM 1452 OG1 THR B 74 3.302 1.319 10.573 1.00 0.00 O ATOM 1453 CG2 THR B 74 1.541 -0.325 10.480 1.00 0.00 C ATOM 0 H THR B 74 4.992 -0.192 9.315 1.00 0.00 H new ATOM 0 HA THR B 74 2.378 -0.634 8.012 1.00 0.00 H new ATOM 0 HB THR B 74 1.674 1.449 9.296 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.990 1.771 10.041 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.035 0.170 11.309 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.800 -0.782 9.823 1.00 0.00 H new ATOM 0 HG23 THR B 74 2.205 -1.096 10.869 1.00 0.00 H new ATOM 1461 N THR B 75 2.953 1.210 6.405 1.00 0.00 N ATOM 1462 CA THR B 75 3.354 2.188 5.413 1.00 0.00 C ATOM 1463 C THR B 75 2.352 3.336 5.355 1.00 0.00 C ATOM 1464 O THR B 75 1.310 3.222 4.716 1.00 0.00 O ATOM 1465 CB THR B 75 3.460 1.526 4.025 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.056 0.226 4.149 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.284 2.382 3.077 1.00 0.00 C ATOM 0 H THR B 75 2.157 0.632 6.134 1.00 0.00 H new ATOM 0 HA THR B 75 4.328 2.584 5.699 1.00 0.00 H new ATOM 0 HB THR B 75 2.455 1.428 3.614 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.119 -0.191 3.264 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.344 1.893 2.105 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.812 3.358 2.964 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.288 2.510 3.482 1.00 0.00 H new ATOM 1475 N ASN B 76 2.666 4.444 6.012 1.00 0.00 N ATOM 1476 CA ASN B 76 1.758 5.586 6.022 1.00 0.00 C ATOM 1477 C ASN B 76 1.926 6.422 4.763 1.00 0.00 C ATOM 1478 O ASN B 76 3.016 6.505 4.198 1.00 0.00 O ATOM 1479 CB ASN B 76 1.966 6.465 7.261 1.00 0.00 C ATOM 1480 CG ASN B 76 1.433 5.838 8.537 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.390 4.617 8.673 1.00 0.00 O ATOM 1482 ND2 ASN B 76 1.012 6.673 9.477 1.00 0.00 N ATOM 0 H ASN B 76 3.529 4.578 6.538 1.00 0.00 H new ATOM 0 HA ASN B 76 0.744 5.188 6.053 1.00 0.00 H new ATOM 0 HB2 ASN B 76 3.030 6.667 7.380 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.475 7.425 7.103 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.635 6.308 10.352 1.00 0.00 H new ATOM 0 HD22 ASN B 76 1.065 7.680 9.325 1.00 0.00 H new ATOM 1489 N PHE B 77 0.826 7.006 4.320 1.00 0.00 N ATOM 1490 CA PHE B 77 0.799 7.846 3.139 1.00 0.00 C ATOM 1491 C PHE B 77 0.077 9.150 3.449 1.00 0.00 C ATOM 1492 O PHE B 77 -1.130 9.164 3.707 1.00 0.00 O ATOM 1493 CB PHE B 77 0.110 7.124 1.980 1.00 0.00 C ATOM 1494 CG PHE B 77 0.936 6.017 1.394 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.084 6.302 0.675 1.00 0.00 C ATOM 1496 CD2 PHE B 77 0.565 4.694 1.561 1.00 0.00 C ATOM 1497 CE1 PHE B 77 2.848 5.288 0.134 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.325 3.676 1.021 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.469 3.974 0.306 1.00 0.00 C ATOM 0 H PHE B 77 -0.081 6.908 4.776 1.00 0.00 H new ATOM 0 HA PHE B 77 1.825 8.067 2.844 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.838 6.715 2.329 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.123 7.847 1.198 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.385 7.330 0.536 1.00 0.00 H new ATOM 0 HD2 PHE B 77 -0.328 4.456 2.119 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.742 5.524 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.026 2.647 1.157 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.065 3.179 -0.117 1.00 0.00 H new ATOM 1509 N HIS B 78 0.832 10.228 3.434 1.00 0.00 N ATOM 1510 CA HIS B 78 0.319 11.556 3.720 1.00 0.00 C ATOM 1511 C HIS B 78 -0.230 12.199 2.444 1.00 0.00 C ATOM 1512 O HIS B 78 0.526 12.700 1.615 1.00 0.00 O ATOM 1513 CB HIS B 78 1.472 12.380 4.317 1.00 0.00 C ATOM 1514 CG HIS B 78 1.170 13.797 4.711 1.00 0.00 C ATOM 1515 ND1 HIS B 78 0.560 14.800 4.031 1.00 0.00 N flip ATOM 1516 CD2 HIS B 78 1.596 14.351 5.899 1.00 0.00 C flip ATOM 1517 CE1 HIS B 78 0.619 15.966 4.788 1.00 0.00 C flip ATOM 1518 NE2 HIS B 78 1.250 15.642 5.899 1.00 0.00 N flip ATOM 0 H HIS B 78 1.829 10.210 3.221 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.506 11.510 4.431 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.841 11.856 5.198 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.286 12.397 3.592 1.00 0.00 H new ATOM 0 HD2 HIS B 78 2.117 13.833 6.690 1.00 0.00 H new ATOM 0 HE1 HIS B 78 0.228 16.937 4.520 1.00 0.00 H new ATOM 0 HE2 HIS B 78 1.448 16.292 6.660 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.544 12.157 2.286 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.203 12.744 1.125 1.00 0.00 C ATOM 1528 C PHE B 79 -2.222 14.265 1.270 1.00 0.00 C ATOM 1529 O PHE B 79 -3.057 14.816 1.990 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.639 12.228 1.005 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.767 10.857 0.408 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.560 9.717 1.172 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -4.119 10.709 -0.919 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.703 8.458 0.614 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.258 9.456 -1.478 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.052 8.330 -0.717 1.00 0.00 C ATOM 0 H PHE B 79 -2.181 11.719 2.952 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.652 12.462 0.228 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.092 12.221 1.997 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.212 12.928 0.398 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.285 9.813 2.212 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.288 11.586 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.542 7.577 1.218 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.530 9.359 -2.519 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.162 7.350 -1.157 1.00 0.00 H new ATOM 1546 N SER B 80 -1.304 14.942 0.599 1.00 0.00 N ATOM 1547 CA SER B 80 -1.213 16.393 0.692 1.00 0.00 C ATOM 1548 C SER B 80 -1.695 17.093 -0.579 1.00 0.00 C ATOM 1549 O SER B 80 -1.486 18.293 -0.745 1.00 0.00 O ATOM 1550 CB SER B 80 0.226 16.803 1.011 1.00 0.00 C ATOM 1551 OG SER B 80 1.153 15.868 0.483 1.00 0.00 O ATOM 0 H SER B 80 -0.612 14.513 -0.015 1.00 0.00 H new ATOM 0 HA SER B 80 -1.874 16.710 1.498 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.426 17.791 0.597 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.355 16.878 2.091 1.00 0.00 H new ATOM 0 HG SER B 80 0.861 15.585 -0.409 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.333 16.355 -1.479 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.841 16.954 -2.710 1.00 0.00 C ATOM 1559 C ASN B 81 -4.228 17.545 -2.462 1.00 0.00 C ATOM 1560 O ASN B 81 -5.241 16.872 -2.609 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.875 15.928 -3.849 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.143 16.562 -5.205 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.593 15.894 -6.140 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -2.860 17.851 -5.333 1.00 0.00 N ATOM 0 H ASN B 81 -2.510 15.355 -1.384 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.167 17.755 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -1.923 15.398 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.646 15.186 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -3.013 18.321 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.489 18.373 -4.539 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.238 18.820 -2.101 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.455 19.571 -1.767 1.00 0.00 C ATOM 1573 C GLU B 82 -6.623 19.346 -2.740 1.00 0.00 C ATOM 1574 O GLU B 82 -7.784 19.339 -2.327 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.120 21.071 -1.678 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.809 21.751 -3.014 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.768 21.017 -3.844 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -4.082 20.649 -4.997 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -2.656 20.771 -3.334 1.00 0.00 O ATOM 0 H GLU B 82 -3.388 19.379 -2.028 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.798 19.192 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.960 21.587 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -4.263 21.197 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.729 21.835 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.459 22.766 -2.823 1.00 0.00 H new ATOM 1586 N SER B 83 -6.321 19.154 -4.014 1.00 0.00 N ATOM 1587 CA SER B 83 -7.349 18.962 -5.024 1.00 0.00 C ATOM 1588 C SER B 83 -8.152 17.679 -4.834 1.00 0.00 C ATOM 1589 O SER B 83 -9.382 17.725 -4.705 1.00 0.00 O ATOM 1590 CB SER B 83 -6.721 18.993 -6.419 1.00 0.00 C ATOM 1591 OG SER B 83 -5.319 18.810 -6.352 1.00 0.00 O ATOM 0 H SER B 83 -5.367 19.127 -4.374 1.00 0.00 H new ATOM 0 HA SER B 83 -8.055 19.785 -4.914 1.00 0.00 H new ATOM 0 HB2 SER B 83 -7.163 18.212 -7.038 1.00 0.00 H new ATOM 0 HB3 SER B 83 -6.944 19.945 -6.900 1.00 0.00 H new ATOM 0 HG SER B 83 -4.887 19.664 -6.140 1.00 0.00 H new ATOM 1597 N THR B 84 -7.494 16.534 -4.815 1.00 0.00 N ATOM 1598 CA THR B 84 -8.228 15.286 -4.717 1.00 0.00 C ATOM 1599 C THR B 84 -7.778 14.344 -3.596 1.00 0.00 C ATOM 1600 O THR B 84 -8.280 13.235 -3.527 1.00 0.00 O ATOM 1601 CB THR B 84 -8.163 14.570 -6.075 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.805 14.518 -6.540 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.008 15.323 -7.090 1.00 0.00 C ATOM 0 H THR B 84 -6.479 16.442 -4.865 1.00 0.00 H new ATOM 0 HA THR B 84 -9.250 15.554 -4.450 1.00 0.00 H new ATOM 0 HB THR B 84 -8.544 13.556 -5.957 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.202 14.406 -5.776 1.00 0.00 H new ATOM 0 HG21 THR B 84 -8.961 14.814 -8.052 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.042 15.357 -6.748 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.628 16.339 -7.198 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.896 14.796 -2.704 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.370 13.953 -1.608 1.00 0.00 C ATOM 1613 C ALA B 85 -7.443 13.123 -0.905 1.00 0.00 C ATOM 1614 O ALA B 85 -7.253 11.935 -0.673 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.641 14.805 -0.582 1.00 0.00 C ATOM 0 H ALA B 85 -6.524 15.746 -2.712 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.680 13.252 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.261 14.168 0.216 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.809 15.320 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.329 15.539 -0.164 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.557 13.750 -0.552 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.650 13.051 0.123 1.00 0.00 C ATOM 1623 C VAL B 86 -10.180 11.904 -0.746 1.00 0.00 C ATOM 1624 O VAL B 86 -10.211 10.751 -0.320 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.793 14.037 0.473 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.145 13.338 0.557 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.495 14.754 1.775 1.00 0.00 C ATOM 0 H VAL B 86 -8.731 14.741 -0.720 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.262 12.628 1.050 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.848 14.767 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.917 14.067 0.805 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.376 12.877 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.110 12.570 1.330 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.308 15.442 2.006 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.399 14.024 2.579 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.564 15.312 1.678 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.552 12.231 -1.978 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.077 11.246 -2.924 1.00 0.00 C ATOM 1639 C LYS B 87 -9.993 10.237 -3.279 1.00 0.00 C ATOM 1640 O LYS B 87 -10.274 9.069 -3.523 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.566 11.961 -4.189 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.384 13.218 -3.907 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.805 14.429 -4.628 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.488 15.722 -4.201 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.939 16.910 -4.918 1.00 0.00 N ATOM 0 H LYS B 87 -10.500 13.179 -2.350 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.912 10.716 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.704 12.229 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.170 11.269 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.415 13.062 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.406 13.407 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.737 14.497 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.915 14.298 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.558 15.646 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.365 15.859 -3.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.444 17.765 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.926 17.008 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -12.064 16.785 -5.943 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.756 10.711 -3.312 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.614 9.870 -3.602 1.00 0.00 C ATOM 1661 C GLU B 88 -7.441 8.861 -2.477 1.00 0.00 C ATOM 1662 O GLU B 88 -7.259 7.676 -2.728 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.366 10.732 -3.802 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.167 11.149 -5.253 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.101 12.210 -5.433 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.242 13.305 -4.860 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.134 11.968 -6.185 1.00 0.00 O ATOM 0 H GLU B 88 -8.521 11.688 -3.138 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.775 9.319 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.441 11.623 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.490 10.179 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.899 10.272 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.111 11.522 -5.649 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.535 9.339 -1.233 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.442 8.472 -0.059 1.00 0.00 C ATOM 1676 C ARG B 89 -8.491 7.393 -0.181 1.00 0.00 C ATOM 1677 O ARG B 89 -8.227 6.207 -0.003 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.716 9.261 1.224 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.601 8.438 2.494 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.448 9.031 3.609 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.772 9.443 3.132 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.446 10.494 3.600 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -9.966 11.216 4.605 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.617 10.814 3.073 1.00 0.00 N ATOM 0 H ARG B 89 -7.676 10.325 -1.014 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.438 8.050 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.018 10.096 1.280 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.718 9.687 1.169 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.918 7.414 2.297 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.559 8.394 2.809 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.562 8.297 4.407 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.933 9.891 4.038 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.206 8.889 2.394 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.072 10.969 5.029 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.492 12.018 4.954 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.002 10.257 2.310 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.134 11.618 3.430 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.685 7.851 -0.498 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.835 6.998 -0.671 1.00 0.00 C ATOM 1700 C ASP B 90 -10.635 5.994 -1.799 1.00 0.00 C ATOM 1701 O ASP B 90 -10.931 4.824 -1.629 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.074 7.868 -0.887 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.770 8.178 0.424 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -13.758 7.484 0.748 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -12.306 9.083 1.152 1.00 0.00 O ATOM 0 H ASP B 90 -9.883 8.841 -0.644 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.975 6.404 0.232 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.786 8.798 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.767 7.357 -1.556 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.102 6.436 -2.931 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.866 5.540 -4.063 1.00 0.00 C ATOM 1712 C ALA B 91 -8.774 4.523 -3.740 1.00 0.00 C ATOM 1713 O ALA B 91 -8.892 3.359 -4.111 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.509 6.335 -5.309 1.00 0.00 C ATOM 0 H ALA B 91 -9.825 7.404 -3.092 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.788 4.992 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.337 5.651 -6.140 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.328 7.009 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.605 6.915 -5.124 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.708 4.957 -3.064 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.640 4.039 -2.668 1.00 0.00 C ATOM 1722 C VAL B 92 -7.244 3.018 -1.715 1.00 0.00 C ATOM 1723 O VAL B 92 -7.027 1.819 -1.844 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.464 4.759 -1.972 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.347 3.778 -1.663 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.933 5.890 -2.830 1.00 0.00 C ATOM 0 H VAL B 92 -7.563 5.927 -2.782 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.234 3.569 -3.564 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.837 5.179 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.527 4.303 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.722 2.995 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.989 3.331 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.106 6.379 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.583 5.491 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.728 6.614 -3.010 1.00 0.00 H new ATOM 1736 N LYS B 93 -8.042 3.533 -0.782 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.747 2.722 0.203 1.00 0.00 C ATOM 1738 C LYS B 93 -9.655 1.724 -0.505 1.00 0.00 C ATOM 1739 O LYS B 93 -9.605 0.525 -0.249 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.591 3.640 1.100 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.620 2.921 1.967 1.00 0.00 C ATOM 1742 CD LYS B 93 -12.038 3.122 1.436 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.426 4.594 1.418 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.618 4.859 0.564 1.00 0.00 N ATOM 0 H LYS B 93 -8.218 4.533 -0.689 1.00 0.00 H new ATOM 0 HA LYS B 93 -8.024 2.177 0.811 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.922 4.205 1.749 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.110 4.363 0.470 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.390 1.856 1.999 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.558 3.291 2.990 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.111 2.713 0.428 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -12.742 2.567 2.057 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.632 4.925 2.436 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.584 5.184 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.975 5.817 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.351 4.780 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.361 4.164 0.780 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.480 2.254 -1.393 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.420 1.465 -2.170 1.00 0.00 C ATOM 1760 C ASP B 94 -10.719 0.408 -2.996 1.00 0.00 C ATOM 1761 O ASP B 94 -11.050 -0.767 -2.909 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.256 2.383 -3.061 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.537 2.812 -2.377 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.593 3.945 -1.857 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.481 2.000 -2.332 1.00 0.00 O ATOM 0 H ASP B 94 -10.516 3.253 -1.596 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.079 0.944 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.672 3.264 -3.325 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.495 1.868 -3.992 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.745 0.820 -3.783 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.998 -0.109 -4.615 1.00 0.00 C ATOM 1772 C LEU B 95 -8.294 -1.148 -3.750 1.00 0.00 C ATOM 1773 O LEU B 95 -8.246 -2.309 -4.112 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.989 0.645 -5.486 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.543 -0.085 -6.754 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.733 -0.361 -7.661 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.487 0.724 -7.489 1.00 0.00 C ATOM 0 H LEU B 95 -9.450 1.793 -3.866 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.697 -0.627 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.425 1.602 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.107 0.864 -4.884 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.106 -1.041 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.394 -0.881 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.457 -0.982 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.202 0.582 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.181 0.190 -8.389 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.899 1.694 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.623 0.868 -6.841 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.767 -0.738 -2.602 1.00 0.00 N ATOM 1790 CA LEU B 96 -7.094 -1.672 -1.699 1.00 0.00 C ATOM 1791 C LEU B 96 -8.110 -2.612 -1.061 1.00 0.00 C ATOM 1792 O LEU B 96 -7.893 -3.804 -1.026 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.328 -0.929 -0.604 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.965 -0.377 -1.013 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.481 0.642 0.004 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.955 -1.500 -1.150 1.00 0.00 C ATOM 0 H LEU B 96 -7.791 0.227 -2.274 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.382 -2.250 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.944 -0.102 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -6.188 -1.605 0.240 1.00 0.00 H new ATOM 0 HG LEU B 96 -5.070 0.115 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.508 1.027 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -5.194 1.464 0.063 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.393 0.167 0.981 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.989 -1.087 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.855 -2.018 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.294 -2.203 -1.911 1.00 0.00 H new ATOM 1808 N GLN B 97 -9.235 -2.081 -0.582 1.00 0.00 N ATOM 1809 CA GLN B 97 -10.265 -2.926 0.037 1.00 0.00 C ATOM 1810 C GLN B 97 -10.842 -3.869 -1.018 1.00 0.00 C ATOM 1811 O GLN B 97 -11.494 -4.865 -0.719 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.378 -2.080 0.683 1.00 0.00 C ATOM 1813 CG GLN B 97 -12.410 -1.543 -0.298 1.00 0.00 C ATOM 1814 CD GLN B 97 -13.573 -0.847 0.387 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -13.926 -1.164 1.520 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -14.185 0.106 -0.300 1.00 0.00 N ATOM 0 H GLN B 97 -9.458 -1.086 -0.608 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.805 -3.510 0.834 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.888 -2.685 1.433 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.921 -1.240 1.207 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -11.926 -0.844 -0.980 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.791 -2.366 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.865 0.343 -1.239 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.976 0.602 0.110 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.608 -3.499 -2.263 1.00 0.00 N ATOM 1826 CA GLN B 98 -11.031 -4.271 -3.411 1.00 0.00 C ATOM 1827 C GLN B 98 -9.986 -5.328 -3.739 1.00 0.00 C ATOM 1828 O GLN B 98 -10.282 -6.509 -3.909 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.160 -3.331 -4.616 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.507 -2.651 -4.757 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.675 -3.601 -4.646 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -13.597 -4.766 -5.053 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.764 -3.103 -4.090 1.00 0.00 N ATOM 0 H GLN B 98 -10.112 -2.642 -2.506 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.984 -4.752 -3.190 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.389 -2.564 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.960 -3.900 -5.524 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.599 -1.883 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.551 -2.145 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.776 -2.134 -3.771 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -15.593 -3.687 -3.980 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.765 -4.851 -3.813 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.595 -5.628 -4.180 1.00 0.00 C ATOM 1844 C LEU B 99 -7.020 -6.507 -3.063 1.00 0.00 C ATOM 1845 O LEU B 99 -6.752 -7.684 -3.289 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.550 -4.629 -4.667 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.696 -4.237 -6.140 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.848 -3.021 -6.462 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.336 -5.403 -7.044 1.00 0.00 C ATOM 0 H LEU B 99 -8.547 -3.875 -3.612 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.890 -6.343 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.611 -3.729 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.558 -5.053 -4.512 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.739 -3.977 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.968 -2.762 -7.514 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.165 -2.182 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.800 -3.244 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.447 -5.103 -8.086 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.304 -5.701 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.999 -6.243 -6.836 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.851 -5.948 -1.872 1.00 0.00 N ATOM 1862 CA LEU B 100 -6.256 -6.672 -0.745 1.00 0.00 C ATOM 1863 C LEU B 100 -6.931 -8.021 -0.470 1.00 0.00 C ATOM 1864 O LEU B 100 -6.257 -9.049 -0.491 1.00 0.00 O ATOM 1865 CB LEU B 100 -6.216 -5.801 0.516 1.00 0.00 C ATOM 1866 CG LEU B 100 -5.166 -4.695 0.453 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -5.082 -3.905 1.749 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.816 -5.280 0.126 1.00 0.00 C ATOM 0 H LEU B 100 -7.119 -4.988 -1.656 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.231 -6.900 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.197 -5.352 0.671 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.015 -6.434 1.380 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.472 -4.006 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.321 -3.130 1.654 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.047 -3.443 1.956 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.817 -4.575 2.567 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -3.074 -4.482 0.084 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.534 -5.997 0.897 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.862 -5.784 -0.839 1.00 0.00 H new ATOM 1880 N PRO B 101 -8.261 -8.062 -0.235 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.976 -9.320 0.032 1.00 0.00 C ATOM 1882 C PRO B 101 -8.908 -10.318 -1.130 1.00 0.00 C ATOM 1883 O PRO B 101 -9.239 -11.490 -0.965 1.00 0.00 O ATOM 1884 CB PRO B 101 -10.424 -8.878 0.267 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.325 -7.440 0.635 1.00 0.00 C ATOM 1886 CD PRO B 101 -9.168 -6.904 -0.152 1.00 0.00 C ATOM 0 HA PRO B 101 -8.531 -9.848 0.875 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.031 -9.017 -0.628 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.891 -9.459 1.062 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.245 -6.908 0.392 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.161 -7.319 1.706 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.476 -6.560 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.697 -6.057 0.348 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.479 -9.857 -2.301 1.00 0.00 N ATOM 1895 CA LYS B 102 -8.368 -10.731 -3.466 1.00 0.00 C ATOM 1896 C LYS B 102 -7.024 -11.452 -3.460 1.00 0.00 C ATOM 1897 O LYS B 102 -6.870 -12.508 -4.069 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.543 -9.943 -4.768 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.980 -9.523 -5.038 1.00 0.00 C ATOM 1900 CD LYS B 102 -10.212 -9.231 -6.514 1.00 0.00 C ATOM 1901 CE LYS B 102 -10.600 -7.780 -6.750 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.778 -7.373 -5.930 1.00 0.00 N ATOM 0 H LYS B 102 -8.204 -8.889 -2.469 1.00 0.00 H new ATOM 0 HA LYS B 102 -9.167 -11.471 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.914 -9.053 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -8.188 -10.550 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.657 -10.312 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -10.217 -8.636 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.307 -9.461 -7.076 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.998 -9.884 -6.894 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.754 -7.136 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.826 -7.633 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -12.404 -6.767 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -12.299 -8.220 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -11.454 -6.848 -5.093 1.00 0.00 H new ATOM 1916 N PHE B 103 -6.057 -10.866 -2.770 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.723 -11.446 -2.652 1.00 0.00 C ATOM 1918 C PHE B 103 -4.425 -11.697 -1.183 1.00 0.00 C ATOM 1919 O PHE B 103 -3.267 -11.802 -0.776 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.657 -10.511 -3.237 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.894 -10.126 -4.671 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -3.464 -10.942 -5.706 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -4.542 -8.943 -4.983 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -3.677 -10.582 -7.023 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -4.760 -8.580 -6.296 1.00 0.00 C ATOM 1926 CZ PHE B 103 -4.326 -9.399 -7.318 1.00 0.00 C ATOM 0 H PHE B 103 -6.171 -9.980 -2.278 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.697 -12.381 -3.212 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.613 -9.605 -2.632 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.683 -10.995 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.957 -11.869 -5.481 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.881 -8.296 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.336 -11.225 -7.821 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -5.270 -7.656 -6.524 1.00 0.00 H new ATOM 0 HZ PHE B 103 -4.493 -9.116 -8.347 1.00 0.00 H new