USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= 0.134 K(o=0.38,f=-1.5) USER MOD Set 1.2: A 76 ASN : amide:sc= 0.248 K(o=0.38,f=-0.28) USER MOD Set 2.1: A 52 THR OG1 : rot -80:sc= 0 USER MOD Set 2.2: A 54 MET CE :methyl -128:sc= 0 (180deg=0) USER MOD Set 2.3: A 55 CYS SG : rot 85:sc= 0.99 USER MOD Set 3.1: A 48 MET CE :methyl -129:sc= -0.196 (180deg=-1.28) USER MOD Set 3.2: A 50 MET CE :methyl -158:sc= -1.56 (180deg=-2.23!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= -0.532 (180deg=-1.13) USER MOD Single : A 17 ASN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 29 SER OG : rot 92:sc= 0.176 USER MOD Single : A 34 TYR OH : rot 150:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.98 K(o=0.98,f=-0.035) USER MOD Single : A 42 ASN : amide:sc= 0.414 K(o=0.41,f=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.18) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.1) USER MOD Single : A 83 THR OG1 : rot 78:sc= 0.884 USER MOD Single : A 89 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 93 MET CE :methyl -174:sc= 0 (180deg=-0.0411) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N LYS A 5 17.627 1.021 -9.044 1.00 0.00 N ATOM 52 CA LYS A 5 17.133 2.085 -8.185 1.00 0.00 C ATOM 53 C LYS A 5 15.616 2.256 -8.376 1.00 0.00 C ATOM 54 O LYS A 5 15.145 2.893 -9.315 1.00 0.00 O ATOM 55 CB LYS A 5 18.010 3.329 -8.382 1.00 0.00 C ATOM 56 CG LYS A 5 17.257 4.630 -8.119 1.00 0.00 C ATOM 57 CD LYS A 5 18.187 5.826 -7.903 1.00 0.00 C ATOM 58 CE LYS A 5 17.332 6.962 -7.342 1.00 0.00 C ATOM 59 NZ LYS A 5 18.107 8.197 -7.149 1.00 0.00 N ATOM 0 HA LYS A 5 17.227 1.846 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.870 3.271 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.397 3.338 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.597 4.838 -8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.624 4.506 -7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.990 5.570 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.656 6.124 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.501 7.158 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.900 6.653 -6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.487 8.940 -6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.885 8.018 -6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.498 8.508 -8.061 1.00 0.00 H new ATOM 73 N VAL A 6 14.845 1.637 -7.490 1.00 0.00 N ATOM 74 CA VAL A 6 13.400 1.810 -7.426 1.00 0.00 C ATOM 75 C VAL A 6 13.110 3.102 -6.644 1.00 0.00 C ATOM 76 O VAL A 6 13.850 3.447 -5.721 1.00 0.00 O ATOM 77 CB VAL A 6 12.783 0.536 -6.809 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.267 0.651 -6.638 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.062 -0.683 -7.696 1.00 0.00 C ATOM 0 H VAL A 6 15.210 0.994 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 6 12.941 1.928 -8.408 1.00 0.00 H new ATOM 0 HB VAL A 6 13.246 0.417 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.879 -0.269 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.038 1.490 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.803 0.814 -7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.619 -1.571 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.627 -0.522 -8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.139 -0.824 -7.793 1.00 0.00 H new ATOM 89 N THR A 7 12.025 3.808 -6.974 1.00 0.00 N ATOM 90 CA THR A 7 11.618 5.068 -6.340 1.00 0.00 C ATOM 91 C THR A 7 10.216 4.916 -5.749 1.00 0.00 C ATOM 92 O THR A 7 9.501 3.955 -6.039 1.00 0.00 O ATOM 93 CB THR A 7 11.643 6.172 -7.428 1.00 0.00 C ATOM 94 OG1 THR A 7 10.566 5.972 -8.330 1.00 0.00 O ATOM 95 CG2 THR A 7 12.957 6.221 -8.217 1.00 0.00 C ATOM 0 H THR A 7 11.386 3.511 -7.711 1.00 0.00 H new ATOM 0 HA THR A 7 12.295 5.335 -5.529 1.00 0.00 H new ATOM 0 HB THR A 7 11.548 7.125 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.581 6.671 -9.017 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.905 7.016 -8.961 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.784 6.416 -7.534 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.117 5.266 -8.717 1.00 0.00 H new ATOM 103 N LYS A 8 9.763 5.871 -4.932 1.00 0.00 N ATOM 104 CA LYS A 8 8.432 5.828 -4.346 1.00 0.00 C ATOM 105 C LYS A 8 7.365 5.840 -5.432 1.00 0.00 C ATOM 106 O LYS A 8 6.330 5.198 -5.281 1.00 0.00 O ATOM 107 CB LYS A 8 8.254 6.992 -3.362 1.00 0.00 C ATOM 108 CG LYS A 8 8.743 8.340 -3.898 1.00 0.00 C ATOM 109 CD LYS A 8 8.177 9.587 -3.210 1.00 0.00 C ATOM 110 CE LYS A 8 9.062 10.057 -2.052 1.00 0.00 C ATOM 111 NZ LYS A 8 9.217 11.527 -2.021 1.00 0.00 N ATOM 0 H LYS A 8 10.310 6.689 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 8 8.317 4.897 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.199 7.077 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.791 6.762 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.830 8.367 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.501 8.395 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.079 10.390 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.176 9.372 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.631 9.720 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.044 9.593 -2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.824 11.795 -1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.653 11.849 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.283 11.972 -1.912 1.00 0.00 H new ATOM 125 N GLU A 9 7.655 6.521 -6.533 1.00 0.00 N ATOM 126 CA GLU A 9 6.818 6.623 -7.701 1.00 0.00 C ATOM 127 C GLU A 9 6.590 5.246 -8.317 1.00 0.00 C ATOM 128 O GLU A 9 5.487 4.948 -8.773 1.00 0.00 O ATOM 129 CB GLU A 9 7.519 7.560 -8.699 1.00 0.00 C ATOM 130 CG GLU A 9 6.619 8.734 -9.119 1.00 0.00 C ATOM 131 CD GLU A 9 7.107 10.116 -8.656 1.00 0.00 C ATOM 132 OE1 GLU A 9 7.974 10.218 -7.753 1.00 0.00 O ATOM 133 OE2 GLU A 9 6.595 11.133 -9.184 1.00 0.00 O ATOM 0 H GLU A 9 8.527 7.041 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 9 5.840 7.024 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.434 7.947 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.812 6.994 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.535 8.739 -10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.618 8.566 -8.723 1.00 0.00 H new ATOM 141 N ASP A 10 7.627 4.404 -8.328 1.00 0.00 N ATOM 142 CA ASP A 10 7.575 3.087 -8.951 1.00 0.00 C ATOM 143 C ASP A 10 6.752 2.190 -8.061 1.00 0.00 C ATOM 144 O ASP A 10 5.847 1.493 -8.510 1.00 0.00 O ATOM 145 CB ASP A 10 8.967 2.454 -9.059 1.00 0.00 C ATOM 146 CG ASP A 10 9.901 3.142 -10.037 1.00 0.00 C ATOM 147 OD1 ASP A 10 11.120 2.872 -9.907 1.00 0.00 O ATOM 148 OD2 ASP A 10 9.434 3.924 -10.884 1.00 0.00 O ATOM 0 H ASP A 10 8.528 4.622 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 10 7.155 3.197 -9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.430 2.456 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.855 1.411 -9.356 1.00 0.00 H new ATOM 154 N VAL A 11 7.048 2.235 -6.761 1.00 0.00 N ATOM 155 CA VAL A 11 6.346 1.442 -5.767 1.00 0.00 C ATOM 156 C VAL A 11 4.852 1.783 -5.786 1.00 0.00 C ATOM 157 O VAL A 11 4.031 0.886 -5.621 1.00 0.00 O ATOM 158 CB VAL A 11 7.025 1.614 -4.394 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.384 0.736 -3.308 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.498 1.177 -4.434 1.00 0.00 C ATOM 0 H VAL A 11 7.784 2.826 -6.373 1.00 0.00 H new ATOM 0 HA VAL A 11 6.408 0.379 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 11 6.915 2.674 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.899 0.895 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.333 1.002 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.465 -0.313 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.945 1.312 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.558 0.127 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.037 1.782 -5.163 1.00 0.00 H new ATOM 170 N LEU A 12 4.472 3.040 -6.034 1.00 0.00 N ATOM 171 CA LEU A 12 3.079 3.437 -6.113 1.00 0.00 C ATOM 172 C LEU A 12 2.484 2.845 -7.382 1.00 0.00 C ATOM 173 O LEU A 12 1.438 2.208 -7.329 1.00 0.00 O ATOM 174 CB LEU A 12 2.979 4.969 -6.105 1.00 0.00 C ATOM 175 CG LEU A 12 3.193 5.575 -4.705 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.531 7.064 -4.819 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.963 5.394 -3.806 1.00 0.00 C ATOM 0 H LEU A 12 5.129 3.806 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 12 2.520 3.065 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.720 5.380 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.999 5.266 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 12 4.025 5.042 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.680 7.481 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.443 7.186 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.711 7.586 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.158 5.836 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.104 5.886 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.752 4.331 -3.688 1.00 0.00 H new ATOM 189 N ASN A 13 3.145 3.018 -8.526 1.00 0.00 N ATOM 190 CA ASN A 13 2.668 2.496 -9.801 1.00 0.00 C ATOM 191 C ASN A 13 2.638 0.974 -9.866 1.00 0.00 C ATOM 192 O ASN A 13 1.960 0.412 -10.725 1.00 0.00 O ATOM 193 CB ASN A 13 3.549 3.023 -10.933 1.00 0.00 C ATOM 194 CG ASN A 13 2.755 3.979 -11.808 1.00 0.00 C ATOM 195 OD1 ASN A 13 1.743 3.606 -12.394 1.00 0.00 O ATOM 196 ND2 ASN A 13 3.143 5.238 -11.854 1.00 0.00 N ATOM 0 H ASN A 13 4.027 3.525 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 13 1.639 2.840 -9.907 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.419 3.533 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.921 2.192 -11.532 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.599 5.920 -12.383 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.987 5.530 -11.361 1.00 0.00 H new ATOM 203 N ALA A 14 3.385 0.294 -9.000 1.00 0.00 N ATOM 204 CA ALA A 14 3.353 -1.146 -8.898 1.00 0.00 C ATOM 205 C ALA A 14 2.177 -1.570 -8.031 1.00 0.00 C ATOM 206 O ALA A 14 1.415 -2.455 -8.414 1.00 0.00 O ATOM 207 CB ALA A 14 4.640 -1.659 -8.272 1.00 0.00 C ATOM 0 H ALA A 14 4.032 0.739 -8.348 1.00 0.00 H new ATOM 0 HA ALA A 14 3.248 -1.565 -9.899 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.602 -2.746 -8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.488 -1.365 -8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.754 -1.234 -7.275 1.00 0.00 H new ATOM 213 N LEU A 15 2.031 -0.946 -6.858 1.00 0.00 N ATOM 214 CA LEU A 15 0.988 -1.262 -5.889 1.00 0.00 C ATOM 215 C LEU A 15 -0.410 -1.032 -6.456 1.00 0.00 C ATOM 216 O LEU A 15 -1.335 -1.719 -6.028 1.00 0.00 O ATOM 217 CB LEU A 15 1.195 -0.457 -4.599 1.00 0.00 C ATOM 218 CG LEU A 15 2.314 -1.020 -3.701 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.731 -0.012 -2.633 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.851 -2.309 -3.013 1.00 0.00 C ATOM 0 H LEU A 15 2.649 -0.193 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 15 1.067 -2.324 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.431 0.575 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.262 -0.439 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 15 3.170 -1.229 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.522 -0.441 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.097 0.896 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.873 0.229 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.653 -2.693 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.975 -2.099 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.595 -3.052 -3.768 1.00 0.00 H new ATOM 232 N LYS A 16 -0.544 -0.189 -7.491 1.00 0.00 N ATOM 233 CA LYS A 16 -1.694 -0.068 -8.399 1.00 0.00 C ATOM 234 C LYS A 16 -1.974 -1.375 -9.185 1.00 0.00 C ATOM 235 O LYS A 16 -2.355 -1.331 -10.358 1.00 0.00 O ATOM 236 CB LYS A 16 -1.446 1.101 -9.375 1.00 0.00 C ATOM 237 CG LYS A 16 -1.591 2.497 -8.768 1.00 0.00 C ATOM 238 CD LYS A 16 -1.419 3.549 -9.875 1.00 0.00 C ATOM 239 CE LYS A 16 -1.474 4.969 -9.309 1.00 0.00 C ATOM 240 NZ LYS A 16 -0.291 5.313 -8.497 1.00 0.00 N ATOM 0 H LYS A 16 0.197 0.469 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.579 0.126 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.441 1.003 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.142 1.011 -10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.569 2.603 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.845 2.647 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.466 3.394 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.202 3.423 -10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.562 5.679 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.370 5.076 -8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.541 6.060 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.033 4.470 -7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.470 5.652 -9.119 1.00 0.00 H new ATOM 254 N ASN A 17 -1.758 -2.551 -8.601 1.00 0.00 N ATOM 255 CA ASN A 17 -2.109 -3.854 -9.149 1.00 0.00 C ATOM 256 C ASN A 17 -2.645 -4.777 -8.059 1.00 0.00 C ATOM 257 O ASN A 17 -3.413 -5.682 -8.376 1.00 0.00 O ATOM 258 CB ASN A 17 -0.892 -4.521 -9.796 1.00 0.00 C ATOM 259 CG ASN A 17 -0.490 -3.863 -11.106 1.00 0.00 C ATOM 260 OD1 ASN A 17 -1.107 -4.080 -12.145 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.545 -3.043 -11.091 1.00 0.00 N ATOM 0 H ASN A 17 -1.311 -2.622 -7.687 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.880 -3.690 -9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.052 -4.485 -9.103 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.112 -5.573 -9.975 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.841 -2.580 -11.950 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.048 -2.872 -10.220 1.00 0.00 H new ATOM 268 N VAL A 18 -2.241 -4.598 -6.800 1.00 0.00 N ATOM 269 CA VAL A 18 -2.724 -5.390 -5.678 1.00 0.00 C ATOM 270 C VAL A 18 -4.118 -4.884 -5.326 1.00 0.00 C ATOM 271 O VAL A 18 -4.281 -3.721 -4.958 1.00 0.00 O ATOM 272 CB VAL A 18 -1.696 -5.311 -4.525 1.00 0.00 C ATOM 273 CG1 VAL A 18 -2.267 -5.233 -3.104 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.838 -6.577 -4.595 1.00 0.00 C ATOM 0 H VAL A 18 -1.560 -3.888 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.818 -6.450 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.157 -4.376 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.449 -5.182 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.889 -4.343 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.870 -6.119 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.098 -6.559 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.474 -7.455 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.330 -6.620 -5.559 1.00 0.00 H new ATOM 284 N ILE A 19 -5.117 -5.748 -5.471 1.00 0.00 N ATOM 285 CA ILE A 19 -6.491 -5.489 -5.094 1.00 0.00 C ATOM 286 C ILE A 19 -6.726 -6.216 -3.775 1.00 0.00 C ATOM 287 O ILE A 19 -6.328 -7.366 -3.600 1.00 0.00 O ATOM 288 CB ILE A 19 -7.423 -5.983 -6.222 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.206 -5.227 -7.555 1.00 0.00 C ATOM 290 CG2 ILE A 19 -8.908 -5.933 -5.847 1.00 0.00 C ATOM 291 CD1 ILE A 19 -7.576 -3.739 -7.510 1.00 0.00 C ATOM 0 H ILE A 19 -4.982 -6.678 -5.868 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.699 -4.428 -4.958 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.143 -7.027 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.159 -5.319 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.796 -5.712 -8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.507 -6.293 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.085 -6.564 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.190 -4.906 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.392 -3.289 -8.486 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.630 -3.634 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.968 -3.236 -6.758 1.00 0.00 H new ATOM 303 N ASP A 20 -7.402 -5.536 -2.856 1.00 0.00 N ATOM 304 CA ASP A 20 -8.028 -6.152 -1.689 1.00 0.00 C ATOM 305 C ASP A 20 -9.102 -7.086 -2.234 1.00 0.00 C ATOM 306 O ASP A 20 -10.066 -6.612 -2.837 1.00 0.00 O ATOM 307 CB ASP A 20 -8.631 -5.076 -0.777 1.00 0.00 C ATOM 308 CG ASP A 20 -9.372 -5.648 0.449 1.00 0.00 C ATOM 309 OD1 ASP A 20 -10.101 -6.664 0.342 1.00 0.00 O ATOM 310 OD2 ASP A 20 -9.339 -5.021 1.531 1.00 0.00 O ATOM 0 H ASP A 20 -7.533 -4.525 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.307 -6.702 -1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.835 -4.415 -0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.323 -4.466 -1.357 1.00 0.00 H new ATOM 316 N PHE A 21 -8.913 -8.396 -2.079 1.00 0.00 N ATOM 317 CA PHE A 21 -9.724 -9.434 -2.706 1.00 0.00 C ATOM 318 C PHE A 21 -11.221 -9.219 -2.485 1.00 0.00 C ATOM 319 O PHE A 21 -12.026 -9.459 -3.392 1.00 0.00 O ATOM 320 CB PHE A 21 -9.314 -10.813 -2.160 1.00 0.00 C ATOM 321 CG PHE A 21 -9.237 -11.882 -3.236 1.00 0.00 C ATOM 322 CD1 PHE A 21 -8.210 -11.835 -4.200 1.00 0.00 C ATOM 323 CD2 PHE A 21 -10.195 -12.914 -3.288 1.00 0.00 C ATOM 324 CE1 PHE A 21 -8.156 -12.800 -5.219 1.00 0.00 C ATOM 325 CE2 PHE A 21 -10.136 -13.885 -4.304 1.00 0.00 C ATOM 326 CZ PHE A 21 -9.123 -13.819 -5.277 1.00 0.00 C ATOM 0 H PHE A 21 -8.167 -8.774 -1.495 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.543 -9.383 -3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -8.344 -10.729 -1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.030 -11.123 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.463 -11.056 -4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.977 -12.960 -2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.371 -12.759 -5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.867 -14.679 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.088 -14.552 -6.070 1.00 0.00 H new ATOM 336 N GLU A 22 -11.587 -8.799 -1.276 1.00 0.00 N ATOM 337 CA GLU A 22 -12.941 -8.537 -0.826 1.00 0.00 C ATOM 338 C GLU A 22 -13.412 -7.166 -1.315 1.00 0.00 C ATOM 339 O GLU A 22 -14.504 -7.077 -1.883 1.00 0.00 O ATOM 340 CB GLU A 22 -12.997 -8.613 0.709 1.00 0.00 C ATOM 341 CG GLU A 22 -13.407 -9.992 1.241 1.00 0.00 C ATOM 342 CD GLU A 22 -12.355 -11.070 0.976 1.00 0.00 C ATOM 343 OE1 GLU A 22 -11.162 -10.783 1.210 1.00 0.00 O ATOM 344 OE2 GLU A 22 -12.755 -12.192 0.580 1.00 0.00 O ATOM 0 H GLU A 22 -10.899 -8.623 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.608 -9.291 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.019 -8.353 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.702 -7.867 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.587 -9.923 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.348 -10.289 0.779 1.00 0.00 H new ATOM 352 N LEU A 23 -12.646 -6.097 -1.070 1.00 0.00 N ATOM 353 CA LEU A 23 -13.101 -4.732 -1.360 1.00 0.00 C ATOM 354 C LEU A 23 -13.115 -4.412 -2.855 1.00 0.00 C ATOM 355 O LEU A 23 -13.911 -3.573 -3.289 1.00 0.00 O ATOM 356 CB LEU A 23 -12.278 -3.679 -0.601 1.00 0.00 C ATOM 357 CG LEU A 23 -13.088 -3.047 0.548 1.00 0.00 C ATOM 358 CD1 LEU A 23 -12.893 -3.792 1.870 1.00 0.00 C ATOM 359 CD2 LEU A 23 -12.703 -1.587 0.688 1.00 0.00 C ATOM 0 H LEU A 23 -11.708 -6.150 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.131 -4.688 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.376 -4.141 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.957 -2.900 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.147 -3.124 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.483 -3.310 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.218 -4.826 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.839 -3.771 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.274 -1.136 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.638 -1.511 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.920 -1.063 -0.243 1.00 0.00 H new ATOM 371 N GLY A 24 -12.249 -5.038 -3.650 1.00 0.00 N ATOM 372 CA GLY A 24 -12.154 -4.804 -5.084 1.00 0.00 C ATOM 373 C GLY A 24 -11.463 -3.481 -5.433 1.00 0.00 C ATOM 374 O GLY A 24 -11.617 -2.984 -6.552 1.00 0.00 O ATOM 0 H GLY A 24 -11.585 -5.732 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.606 -5.626 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.156 -4.808 -5.514 1.00 0.00 H new ATOM 378 N LEU A 25 -10.717 -2.887 -4.498 1.00 0.00 N ATOM 379 CA LEU A 25 -9.987 -1.635 -4.677 1.00 0.00 C ATOM 380 C LEU A 25 -8.510 -1.899 -4.433 1.00 0.00 C ATOM 381 O LEU A 25 -8.165 -2.829 -3.702 1.00 0.00 O ATOM 382 CB LEU A 25 -10.476 -0.568 -3.684 1.00 0.00 C ATOM 383 CG LEU A 25 -11.983 -0.269 -3.705 1.00 0.00 C ATOM 384 CD1 LEU A 25 -12.304 0.767 -2.628 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.437 0.233 -5.079 1.00 0.00 C ATOM 0 H LEU A 25 -10.602 -3.280 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.154 -1.268 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.202 -0.884 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.939 0.359 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.524 -1.193 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -13.372 0.983 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.022 0.375 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.747 1.682 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.508 0.434 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.901 1.149 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.226 -0.526 -5.832 1.00 0.00 H new ATOM 397 N ASP A 26 -7.646 -1.068 -5.018 1.00 0.00 N ATOM 398 CA ASP A 26 -6.209 -1.148 -4.791 1.00 0.00 C ATOM 399 C ASP A 26 -5.802 -0.195 -3.672 1.00 0.00 C ATOM 400 O ASP A 26 -6.456 0.832 -3.459 1.00 0.00 O ATOM 401 CB ASP A 26 -5.436 -0.858 -6.096 1.00 0.00 C ATOM 402 CG ASP A 26 -4.954 0.582 -6.270 1.00 0.00 C ATOM 403 OD1 ASP A 26 -3.900 0.919 -5.707 1.00 0.00 O ATOM 404 OD2 ASP A 26 -5.588 1.368 -7.012 1.00 0.00 O ATOM 0 H ASP A 26 -7.925 -0.325 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.954 -2.161 -4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.571 -1.520 -6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.076 -1.113 -6.941 1.00 0.00 H new ATOM 410 N VAL A 27 -4.721 -0.525 -2.966 1.00 0.00 N ATOM 411 CA VAL A 27 -4.199 0.227 -1.838 1.00 0.00 C ATOM 412 C VAL A 27 -3.947 1.706 -2.129 1.00 0.00 C ATOM 413 O VAL A 27 -4.236 2.529 -1.263 1.00 0.00 O ATOM 414 CB VAL A 27 -2.930 -0.443 -1.278 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.254 -1.744 -0.535 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.875 -0.748 -2.350 1.00 0.00 C ATOM 0 H VAL A 27 -4.168 -1.356 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.986 0.208 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.514 0.290 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.332 -2.185 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.924 -1.530 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.736 -2.443 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.009 -1.219 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.298 -1.422 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.568 0.180 -2.833 1.00 0.00 H new ATOM 426 N VAL A 28 -3.439 2.071 -3.304 1.00 0.00 N ATOM 427 CA VAL A 28 -3.173 3.446 -3.709 1.00 0.00 C ATOM 428 C VAL A 28 -4.501 4.160 -3.967 1.00 0.00 C ATOM 429 O VAL A 28 -4.642 5.312 -3.559 1.00 0.00 O ATOM 430 CB VAL A 28 -2.241 3.453 -4.947 1.00 0.00 C ATOM 431 CG1 VAL A 28 -1.804 4.877 -5.293 1.00 0.00 C ATOM 432 CG2 VAL A 28 -0.970 2.616 -4.718 1.00 0.00 C ATOM 0 H VAL A 28 -3.193 1.392 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.657 3.988 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.818 3.020 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.151 4.855 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.682 5.484 -5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.267 5.308 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.346 2.649 -5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.415 3.022 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.248 1.583 -4.508 1.00 0.00 H new ATOM 442 N SER A 29 -5.507 3.491 -4.540 1.00 0.00 N ATOM 443 CA SER A 29 -6.852 4.062 -4.637 1.00 0.00 C ATOM 444 C SER A 29 -7.459 4.250 -3.241 1.00 0.00 C ATOM 445 O SER A 29 -8.116 5.264 -2.993 1.00 0.00 O ATOM 446 CB SER A 29 -7.776 3.199 -5.507 1.00 0.00 C ATOM 447 OG SER A 29 -7.668 3.564 -6.874 1.00 0.00 O ATOM 0 H SER A 29 -5.415 2.558 -4.942 1.00 0.00 H new ATOM 0 HA SER A 29 -6.759 5.036 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.519 2.147 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.808 3.315 -5.176 1.00 0.00 H new ATOM 0 HG SER A 29 -6.987 3.009 -7.308 1.00 0.00 H new ATOM 453 N LEU A 30 -7.236 3.312 -2.319 1.00 0.00 N ATOM 454 CA LEU A 30 -7.567 3.456 -0.905 1.00 0.00 C ATOM 455 C LEU A 30 -6.638 4.456 -0.184 1.00 0.00 C ATOM 456 O LEU A 30 -6.865 4.797 0.975 1.00 0.00 O ATOM 457 CB LEU A 30 -7.540 2.071 -0.235 1.00 0.00 C ATOM 458 CG LEU A 30 -8.869 1.291 -0.275 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.622 -0.210 -0.477 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.626 1.482 1.046 1.00 0.00 C ATOM 0 H LEU A 30 -6.811 2.412 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.571 3.872 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.770 1.468 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.243 2.196 0.806 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.455 1.675 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.577 -0.736 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.096 -0.369 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.018 -0.593 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.564 0.928 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.017 1.112 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.835 2.541 1.196 1.00 0.00 H new ATOM 472 N GLY A 31 -5.585 4.952 -0.837 1.00 0.00 N ATOM 473 CA GLY A 31 -4.588 5.841 -0.265 1.00 0.00 C ATOM 474 C GLY A 31 -3.863 5.257 0.953 1.00 0.00 C ATOM 475 O GLY A 31 -3.350 6.032 1.758 1.00 0.00 O ATOM 0 H GLY A 31 -5.402 4.733 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.852 6.087 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.071 6.774 0.024 1.00 0.00 H new ATOM 479 N LEU A 32 -3.850 3.935 1.143 1.00 0.00 N ATOM 480 CA LEU A 32 -3.241 3.240 2.278 1.00 0.00 C ATOM 481 C LEU A 32 -1.723 3.352 2.149 1.00 0.00 C ATOM 482 O LEU A 32 -1.117 2.622 1.372 1.00 0.00 O ATOM 483 CB LEU A 32 -3.661 1.757 2.313 1.00 0.00 C ATOM 484 CG LEU A 32 -5.162 1.515 2.535 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.587 0.163 1.948 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.589 1.545 3.999 1.00 0.00 C ATOM 0 H LEU A 32 -4.283 3.292 0.480 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.580 3.699 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.367 1.289 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.106 1.256 3.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.656 2.343 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.653 0.012 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.384 0.151 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.027 -0.636 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.662 1.366 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.055 0.771 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.356 2.520 4.426 1.00 0.00 H new ATOM 498 N VAL A 33 -1.122 4.310 2.845 1.00 0.00 N ATOM 499 CA VAL A 33 0.282 4.704 2.844 1.00 0.00 C ATOM 500 C VAL A 33 0.448 5.851 3.851 1.00 0.00 C ATOM 501 O VAL A 33 -0.524 6.537 4.177 1.00 0.00 O ATOM 502 CB VAL A 33 0.714 5.119 1.413 1.00 0.00 C ATOM 503 CG1 VAL A 33 -0.137 6.227 0.764 1.00 0.00 C ATOM 504 CG2 VAL A 33 2.197 5.499 1.296 1.00 0.00 C ATOM 0 H VAL A 33 -1.661 4.889 3.489 1.00 0.00 H new ATOM 0 HA VAL A 33 0.924 3.875 3.140 1.00 0.00 H new ATOM 0 HB VAL A 33 0.537 4.200 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.247 6.444 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.172 5.894 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.088 7.128 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.421 5.777 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.410 6.342 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.814 4.648 1.585 1.00 0.00 H new ATOM 514 N TYR A 34 1.684 6.086 4.292 1.00 0.00 N ATOM 515 CA TYR A 34 2.163 7.358 4.809 1.00 0.00 C ATOM 516 C TYR A 34 3.440 7.711 4.033 1.00 0.00 C ATOM 517 O TYR A 34 3.417 8.605 3.183 1.00 0.00 O ATOM 518 CB TYR A 34 2.391 7.282 6.329 1.00 0.00 C ATOM 519 CG TYR A 34 1.155 7.058 7.190 1.00 0.00 C ATOM 520 CD1 TYR A 34 0.121 8.015 7.212 1.00 0.00 C ATOM 521 CD2 TYR A 34 1.057 5.911 8.004 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.013 7.818 8.022 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.072 5.710 8.816 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.120 6.659 8.819 1.00 0.00 C ATOM 525 OH TYR A 34 -2.243 6.452 9.562 1.00 0.00 O ATOM 0 H TYR A 34 2.404 5.363 4.297 1.00 0.00 H new ATOM 0 HA TYR A 34 1.424 8.146 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.097 6.476 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.867 8.209 6.650 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.199 8.904 6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.854 5.183 8.003 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.802 8.555 8.033 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.139 4.830 9.438 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.400 5.489 9.657 1.00 0.00 H new ATOM 535 N ASP A 35 4.535 6.973 4.255 1.00 0.00 N ATOM 536 CA ASP A 35 5.897 7.382 3.880 1.00 0.00 C ATOM 537 C ASP A 35 6.611 6.272 3.121 1.00 0.00 C ATOM 538 O ASP A 35 6.380 5.103 3.440 1.00 0.00 O ATOM 539 CB ASP A 35 6.686 7.676 5.165 1.00 0.00 C ATOM 540 CG ASP A 35 7.734 8.780 4.983 1.00 0.00 C ATOM 541 OD1 ASP A 35 8.158 9.045 3.840 1.00 0.00 O ATOM 542 OD2 ASP A 35 8.049 9.468 5.987 1.00 0.00 O ATOM 0 H ASP A 35 4.500 6.060 4.708 1.00 0.00 H new ATOM 0 HA ASP A 35 5.836 8.262 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.992 7.968 5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.181 6.764 5.498 1.00 0.00 H new ATOM 548 N ILE A 36 7.506 6.589 2.183 1.00 0.00 N ATOM 549 CA ILE A 36 8.059 5.672 1.181 1.00 0.00 C ATOM 550 C ILE A 36 9.549 6.011 0.933 1.00 0.00 C ATOM 551 O ILE A 36 9.962 6.543 -0.112 1.00 0.00 O ATOM 552 CB ILE A 36 7.207 5.758 -0.114 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.677 5.990 0.013 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.469 4.471 -0.907 1.00 0.00 C ATOM 555 CD1 ILE A 36 5.045 6.460 -1.303 1.00 0.00 C ATOM 0 H ILE A 36 7.882 7.533 2.096 1.00 0.00 H new ATOM 0 HA ILE A 36 8.017 4.643 1.537 1.00 0.00 H new ATOM 0 HB ILE A 36 7.534 6.675 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.197 5.065 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.488 6.732 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.888 4.487 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.530 4.401 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.175 3.609 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.975 6.608 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.503 7.400 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.208 5.707 -2.074 1.00 0.00 H new ATOM 567 N GLN A 37 10.389 5.701 1.914 1.00 0.00 N ATOM 568 CA GLN A 37 11.821 5.977 1.893 1.00 0.00 C ATOM 569 C GLN A 37 12.552 4.801 1.288 1.00 0.00 C ATOM 570 O GLN A 37 12.596 3.726 1.883 1.00 0.00 O ATOM 571 CB GLN A 37 12.332 6.232 3.309 1.00 0.00 C ATOM 572 CG GLN A 37 11.839 7.604 3.787 1.00 0.00 C ATOM 573 CD GLN A 37 11.620 7.654 5.303 1.00 0.00 C ATOM 574 OE1 GLN A 37 12.419 8.196 6.059 1.00 0.00 O ATOM 575 NE2 GLN A 37 10.568 7.033 5.806 1.00 0.00 N ATOM 0 H GLN A 37 10.084 5.238 2.770 1.00 0.00 H new ATOM 0 HA GLN A 37 12.003 6.867 1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.978 5.451 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.421 6.198 3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.564 8.366 3.503 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.905 7.848 3.280 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.898 6.579 5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.426 7.007 6.816 1.00 0.00 H new ATOM 584 N ILE A 38 13.100 4.984 0.087 1.00 0.00 N ATOM 585 CA ILE A 38 13.719 3.873 -0.622 1.00 0.00 C ATOM 586 C ILE A 38 15.218 4.126 -0.733 1.00 0.00 C ATOM 587 O ILE A 38 15.652 5.241 -1.027 1.00 0.00 O ATOM 588 CB ILE A 38 12.967 3.654 -1.939 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.473 3.381 -1.610 1.00 0.00 C ATOM 590 CG2 ILE A 38 13.609 2.493 -2.720 1.00 0.00 C ATOM 591 CD1 ILE A 38 10.580 3.691 -2.788 1.00 0.00 C ATOM 0 H ILE A 38 13.127 5.877 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 38 13.638 2.927 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 38 13.027 4.539 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.348 2.337 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.172 3.986 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.070 2.342 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.651 2.731 -2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.561 1.582 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.543 3.488 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.686 4.741 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.865 3.067 -3.635 1.00 0.00 H new ATOM 603 N ASP A 39 15.988 3.113 -0.348 1.00 0.00 N ATOM 604 CA ASP A 39 17.440 3.146 -0.185 1.00 0.00 C ATOM 605 C ASP A 39 18.186 3.041 -1.526 1.00 0.00 C ATOM 606 O ASP A 39 17.571 2.791 -2.562 1.00 0.00 O ATOM 607 CB ASP A 39 17.803 1.985 0.741 1.00 0.00 C ATOM 608 CG ASP A 39 19.164 2.207 1.375 1.00 0.00 C ATOM 609 OD1 ASP A 39 20.141 1.691 0.807 1.00 0.00 O ATOM 610 OD2 ASP A 39 19.206 2.907 2.421 1.00 0.00 O ATOM 0 H ASP A 39 15.596 2.197 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 39 17.745 4.102 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.046 1.884 1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 39 17.807 1.052 0.178 1.00 0.00 H new ATOM 616 N ASP A 40 19.515 3.204 -1.525 1.00 0.00 N ATOM 617 CA ASP A 40 20.380 3.007 -2.698 1.00 0.00 C ATOM 618 C ASP A 40 20.595 1.519 -2.993 1.00 0.00 C ATOM 619 O ASP A 40 20.833 1.138 -4.138 1.00 0.00 O ATOM 620 CB ASP A 40 21.740 3.674 -2.461 1.00 0.00 C ATOM 621 CG ASP A 40 22.543 3.800 -3.755 1.00 0.00 C ATOM 622 OD1 ASP A 40 23.660 3.253 -3.841 1.00 0.00 O ATOM 623 OD2 ASP A 40 22.124 4.567 -4.655 1.00 0.00 O ATOM 0 H ASP A 40 20.032 3.483 -0.691 1.00 0.00 H new ATOM 0 HA ASP A 40 19.884 3.461 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.589 4.663 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.309 3.092 -1.735 1.00 0.00 H new ATOM 629 N GLN A 41 20.443 0.677 -1.963 1.00 0.00 N ATOM 630 CA GLN A 41 20.350 -0.776 -2.049 1.00 0.00 C ATOM 631 C GLN A 41 18.928 -1.219 -2.414 1.00 0.00 C ATOM 632 O GLN A 41 18.642 -2.412 -2.387 1.00 0.00 O ATOM 633 CB GLN A 41 20.799 -1.411 -0.717 1.00 0.00 C ATOM 634 CG GLN A 41 22.325 -1.556 -0.560 1.00 0.00 C ATOM 635 CD GLN A 41 23.151 -0.278 -0.385 1.00 0.00 C ATOM 636 OE1 GLN A 41 24.323 -0.232 -0.762 1.00 0.00 O ATOM 637 NE2 GLN A 41 22.665 0.755 0.285 1.00 0.00 N ATOM 0 H GLN A 41 20.379 1.013 -1.002 1.00 0.00 H new ATOM 0 HA GLN A 41 21.014 -1.119 -2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.418 -0.806 0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.342 -2.396 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.513 -2.197 0.301 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.703 -2.081 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 41 21.698 0.743 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 41 23.258 1.563 0.477 1.00 0.00 H new ATOM 646 N ASN A 42 18.032 -0.281 -2.734 1.00 0.00 N ATOM 647 CA ASN A 42 16.663 -0.475 -3.202 1.00 0.00 C ATOM 648 C ASN A 42 15.794 -1.149 -2.150 1.00 0.00 C ATOM 649 O ASN A 42 14.779 -1.775 -2.460 1.00 0.00 O ATOM 650 CB ASN A 42 16.582 -1.275 -4.500 1.00 0.00 C ATOM 651 CG ASN A 42 17.477 -0.847 -5.644 1.00 0.00 C ATOM 652 OD1 ASN A 42 18.548 -0.280 -5.498 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.073 -1.156 -6.853 1.00 0.00 N ATOM 0 H ASN A 42 18.267 0.709 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 42 16.285 0.529 -3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.808 -2.316 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.550 -1.243 -4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.652 -0.922 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.180 -1.630 -6.987 1.00 0.00 H new ATOM 660 N ASN A 43 16.218 -1.050 -0.897 1.00 0.00 N ATOM 661 CA ASN A 43 15.498 -1.532 0.257 1.00 0.00 C ATOM 662 C ASN A 43 14.290 -0.615 0.360 1.00 0.00 C ATOM 663 O ASN A 43 14.455 0.562 0.701 1.00 0.00 O ATOM 664 CB ASN A 43 16.414 -1.473 1.481 1.00 0.00 C ATOM 665 CG ASN A 43 17.626 -2.392 1.331 1.00 0.00 C ATOM 666 OD1 ASN A 43 17.564 -3.424 0.673 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.776 -2.037 1.872 1.00 0.00 N ATOM 0 H ASN A 43 17.108 -0.614 -0.656 1.00 0.00 H new ATOM 0 HA ASN A 43 15.176 -2.571 0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.752 -0.448 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.851 -1.757 2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.603 -2.620 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.838 -1.180 2.421 1.00 0.00 H new ATOM 674 N VAL A 44 13.113 -1.070 -0.073 1.00 0.00 N ATOM 675 CA VAL A 44 11.938 -0.213 -0.083 1.00 0.00 C ATOM 676 C VAL A 44 11.360 -0.236 1.323 1.00 0.00 C ATOM 677 O VAL A 44 10.929 -1.297 1.783 1.00 0.00 O ATOM 678 CB VAL A 44 10.978 -0.712 -1.170 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.526 -0.251 -1.017 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.458 -0.299 -2.567 1.00 0.00 C ATOM 0 H VAL A 44 12.954 -2.017 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 44 12.159 0.825 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 44 10.989 -1.795 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.928 -0.656 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.130 -0.606 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.485 0.838 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.757 -0.667 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.514 0.788 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.444 -0.724 -2.753 1.00 0.00 H new ATOM 690 N LYS A 45 11.353 0.909 2.016 1.00 0.00 N ATOM 691 CA LYS A 45 10.783 1.010 3.339 1.00 0.00 C ATOM 692 C LYS A 45 9.517 1.786 3.149 1.00 0.00 C ATOM 693 O LYS A 45 9.539 2.865 2.554 1.00 0.00 O ATOM 694 CB LYS A 45 11.768 1.710 4.280 1.00 0.00 C ATOM 695 CG LYS A 45 11.502 1.367 5.753 1.00 0.00 C ATOM 696 CD LYS A 45 12.534 1.992 6.707 1.00 0.00 C ATOM 697 CE LYS A 45 12.064 3.337 7.274 1.00 0.00 C ATOM 698 NZ LYS A 45 13.047 3.916 8.215 1.00 0.00 N ATOM 0 H LYS A 45 11.745 1.783 1.665 1.00 0.00 H new ATOM 0 HA LYS A 45 10.578 0.042 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.786 1.421 4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.697 2.789 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.505 1.712 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.510 0.284 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.730 1.303 7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.476 2.133 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.892 4.035 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.110 3.202 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.690 4.824 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.193 3.262 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.950 4.069 7.723 1.00 0.00 H new ATOM 712 N VAL A 46 8.410 1.223 3.610 1.00 0.00 N ATOM 713 CA VAL A 46 7.135 1.901 3.523 1.00 0.00 C ATOM 714 C VAL A 46 6.437 1.806 4.860 1.00 0.00 C ATOM 715 O VAL A 46 6.387 0.743 5.486 1.00 0.00 O ATOM 716 CB VAL A 46 6.274 1.405 2.346 1.00 0.00 C ATOM 717 CG1 VAL A 46 5.250 2.489 1.981 1.00 0.00 C ATOM 718 CG2 VAL A 46 7.111 1.060 1.103 1.00 0.00 C ATOM 0 H VAL A 46 8.373 0.302 4.046 1.00 0.00 H new ATOM 0 HA VAL A 46 7.307 2.954 3.300 1.00 0.00 H new ATOM 0 HB VAL A 46 5.777 0.490 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.637 2.145 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.612 2.692 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.773 3.401 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.453 0.716 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.652 1.946 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.823 0.273 1.351 1.00 0.00 H new ATOM 728 N LEU A 47 5.935 2.942 5.319 1.00 0.00 N ATOM 729 CA LEU A 47 4.972 3.006 6.394 1.00 0.00 C ATOM 730 C LEU A 47 3.620 2.844 5.714 1.00 0.00 C ATOM 731 O LEU A 47 3.188 3.757 5.003 1.00 0.00 O ATOM 732 CB LEU A 47 5.106 4.353 7.127 1.00 0.00 C ATOM 733 CG LEU A 47 5.431 4.173 8.607 1.00 0.00 C ATOM 734 CD1 LEU A 47 6.852 3.652 8.800 1.00 0.00 C ATOM 735 CD2 LEU A 47 5.239 5.498 9.341 1.00 0.00 C ATOM 0 H LEU A 47 6.193 3.856 4.946 1.00 0.00 H new ATOM 0 HA LEU A 47 5.115 2.237 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.889 4.946 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.177 4.914 7.026 1.00 0.00 H new ATOM 0 HG LEU A 47 4.749 3.432 9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.055 3.534 9.864 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.957 2.688 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.561 4.361 8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.472 5.366 10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.903 6.250 8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.205 5.826 9.236 1.00 0.00 H new ATOM 747 N MET A 48 2.982 1.684 5.858 1.00 0.00 N ATOM 748 CA MET A 48 1.600 1.489 5.439 1.00 0.00 C ATOM 749 C MET A 48 0.726 1.321 6.683 1.00 0.00 C ATOM 750 O MET A 48 1.218 1.370 7.812 1.00 0.00 O ATOM 751 CB MET A 48 1.464 0.323 4.440 1.00 0.00 C ATOM 752 CG MET A 48 0.447 0.689 3.346 1.00 0.00 C ATOM 753 SD MET A 48 -0.353 -0.689 2.491 1.00 0.00 S ATOM 754 CE MET A 48 -1.563 -1.182 3.734 1.00 0.00 C ATOM 0 H MET A 48 3.411 0.854 6.269 1.00 0.00 H new ATOM 0 HA MET A 48 1.253 2.368 4.896 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.432 0.103 3.990 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.142 -0.579 4.961 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.329 1.308 3.796 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.953 1.304 2.602 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.488 -2.255 3.910 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.368 -0.647 4.664 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.566 -0.942 3.381 1.00 0.00 H new ATOM 764 N THR A 49 -0.580 1.189 6.484 1.00 0.00 N ATOM 765 CA THR A 49 -1.597 1.108 7.518 1.00 0.00 C ATOM 766 C THR A 49 -2.825 0.560 6.790 1.00 0.00 C ATOM 767 O THR A 49 -3.101 0.999 5.675 1.00 0.00 O ATOM 768 CB THR A 49 -1.787 2.525 8.115 1.00 0.00 C ATOM 769 OG1 THR A 49 -2.732 2.581 9.153 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.165 3.606 7.088 1.00 0.00 C ATOM 0 H THR A 49 -0.976 1.133 5.546 1.00 0.00 H new ATOM 0 HA THR A 49 -1.359 0.463 8.364 1.00 0.00 H new ATOM 0 HB THR A 49 -0.793 2.740 8.507 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.309 2.312 9.995 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.278 4.565 7.594 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.381 3.683 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.105 3.337 6.606 1.00 0.00 H new ATOM 778 N MET A 50 -3.498 -0.447 7.340 1.00 0.00 N ATOM 779 CA MET A 50 -4.744 -0.985 6.789 1.00 0.00 C ATOM 780 C MET A 50 -5.913 -0.070 7.190 1.00 0.00 C ATOM 781 O MET A 50 -5.750 0.844 8.006 1.00 0.00 O ATOM 782 CB MET A 50 -4.965 -2.431 7.280 1.00 0.00 C ATOM 783 CG MET A 50 -4.097 -3.459 6.542 1.00 0.00 C ATOM 784 SD MET A 50 -4.458 -3.597 4.775 1.00 0.00 S ATOM 785 CE MET A 50 -3.163 -4.760 4.263 1.00 0.00 C ATOM 0 H MET A 50 -3.192 -0.920 8.191 1.00 0.00 H new ATOM 0 HA MET A 50 -4.684 -1.014 5.701 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.750 -2.482 8.347 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.015 -2.694 7.154 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.048 -3.190 6.668 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.234 -4.435 7.007 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.986 -4.659 3.192 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.243 -4.542 4.805 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.481 -5.779 4.484 1.00 0.00 H new ATOM 795 N THR A 51 -7.112 -0.321 6.661 1.00 0.00 N ATOM 796 CA THR A 51 -8.321 0.435 6.987 1.00 0.00 C ATOM 797 C THR A 51 -8.614 0.384 8.494 1.00 0.00 C ATOM 798 O THR A 51 -8.860 1.408 9.137 1.00 0.00 O ATOM 799 CB THR A 51 -9.505 -0.124 6.175 1.00 0.00 C ATOM 800 OG1 THR A 51 -9.215 -0.083 4.789 1.00 0.00 O ATOM 801 CG2 THR A 51 -10.840 0.591 6.441 1.00 0.00 C ATOM 0 H THR A 51 -7.272 -1.067 5.984 1.00 0.00 H new ATOM 0 HA THR A 51 -8.169 1.481 6.722 1.00 0.00 H new ATOM 0 HB THR A 51 -9.631 -1.154 6.510 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.975 -0.443 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.623 0.139 5.832 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.100 0.496 7.495 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.745 1.646 6.185 1.00 0.00 H new ATOM 809 N THR A 52 -8.633 -0.822 9.049 1.00 0.00 N ATOM 810 CA THR A 52 -9.071 -1.158 10.396 1.00 0.00 C ATOM 811 C THR A 52 -8.418 -2.507 10.743 1.00 0.00 C ATOM 812 O THR A 52 -7.931 -3.200 9.847 1.00 0.00 O ATOM 813 CB THR A 52 -10.608 -1.309 10.406 1.00 0.00 C ATOM 814 OG1 THR A 52 -11.006 -2.063 9.281 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.386 0.014 10.407 1.00 0.00 C ATOM 0 H THR A 52 -8.322 -1.646 8.534 1.00 0.00 H new ATOM 0 HA THR A 52 -8.791 -0.387 11.114 1.00 0.00 H new ATOM 0 HB THR A 52 -10.849 -1.807 11.345 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.025 -1.485 8.490 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.456 -0.193 10.414 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.122 0.591 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.133 0.585 9.514 1.00 0.00 H new ATOM 823 N PRO A 53 -8.400 -2.943 12.011 1.00 0.00 N ATOM 824 CA PRO A 53 -7.930 -4.284 12.324 1.00 0.00 C ATOM 825 C PRO A 53 -8.934 -5.371 11.889 1.00 0.00 C ATOM 826 O PRO A 53 -8.523 -6.504 11.630 1.00 0.00 O ATOM 827 CB PRO A 53 -7.620 -4.257 13.822 1.00 0.00 C ATOM 828 CG PRO A 53 -8.526 -3.164 14.379 1.00 0.00 C ATOM 829 CD PRO A 53 -8.650 -2.171 13.217 1.00 0.00 C ATOM 0 HA PRO A 53 -7.035 -4.556 11.765 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.828 -5.220 14.288 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.569 -4.034 14.006 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.498 -3.560 14.673 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.092 -2.695 15.262 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.641 -1.718 13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.930 -1.359 13.318 1.00 0.00 H new ATOM 837 N MET A 54 -10.227 -5.048 11.719 1.00 0.00 N ATOM 838 CA MET A 54 -11.252 -5.993 11.259 1.00 0.00 C ATOM 839 C MET A 54 -11.112 -6.434 9.797 1.00 0.00 C ATOM 840 O MET A 54 -11.963 -7.208 9.351 1.00 0.00 O ATOM 841 CB MET A 54 -12.686 -5.502 11.554 1.00 0.00 C ATOM 842 CG MET A 54 -13.130 -4.197 10.880 1.00 0.00 C ATOM 843 SD MET A 54 -13.586 -4.302 9.129 1.00 0.00 S ATOM 844 CE MET A 54 -14.034 -2.564 8.799 1.00 0.00 C ATOM 0 H MET A 54 -10.591 -4.113 11.900 1.00 0.00 H new ATOM 0 HA MET A 54 -11.067 -6.887 11.855 1.00 0.00 H new ATOM 0 HB2 MET A 54 -13.380 -6.289 11.259 1.00 0.00 H new ATOM 0 HB3 MET A 54 -12.786 -5.377 12.632 1.00 0.00 H new ATOM 0 HG2 MET A 54 -13.983 -3.802 11.431 1.00 0.00 H new ATOM 0 HG3 MET A 54 -12.323 -3.471 10.979 1.00 0.00 H new ATOM 0 HE1 MET A 54 -15.023 -2.524 8.342 1.00 0.00 H new ATOM 0 HE2 MET A 54 -14.044 -2.007 9.736 1.00 0.00 H new ATOM 0 HE3 MET A 54 -13.303 -2.122 8.122 1.00 0.00 H new ATOM 854 N CYS A 55 -10.077 -6.012 9.057 1.00 0.00 N ATOM 855 CA CYS A 55 -9.794 -6.562 7.740 1.00 0.00 C ATOM 856 C CYS A 55 -9.843 -8.102 7.764 1.00 0.00 C ATOM 857 O CYS A 55 -9.459 -8.696 8.775 1.00 0.00 O ATOM 858 CB CYS A 55 -8.436 -6.078 7.255 1.00 0.00 C ATOM 859 SG CYS A 55 -8.470 -4.286 6.970 1.00 0.00 S ATOM 0 H CYS A 55 -9.424 -5.288 9.357 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.560 -6.213 7.048 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.671 -6.321 7.993 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.166 -6.594 6.334 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.239 -3.664 8.088 1.00 0.00 H new ATOM 865 N PRO A 56 -10.365 -8.739 6.702 1.00 0.00 N ATOM 866 CA PRO A 56 -10.889 -10.092 6.775 1.00 0.00 C ATOM 867 C PRO A 56 -9.749 -11.109 6.834 1.00 0.00 C ATOM 868 O PRO A 56 -9.260 -11.459 7.906 1.00 0.00 O ATOM 869 CB PRO A 56 -11.815 -10.232 5.556 1.00 0.00 C ATOM 870 CG PRO A 56 -11.228 -9.258 4.532 1.00 0.00 C ATOM 871 CD PRO A 56 -10.666 -8.141 5.410 1.00 0.00 C ATOM 0 HA PRO A 56 -11.458 -10.290 7.683 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.823 -11.254 5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.845 -9.976 5.805 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.452 -9.726 3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.988 -8.888 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.769 -7.711 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.388 -7.332 5.517 1.00 0.00 H new ATOM 879 N LEU A 57 -9.272 -11.548 5.673 1.00 0.00 N ATOM 880 CA LEU A 57 -8.067 -12.337 5.504 1.00 0.00 C ATOM 881 C LEU A 57 -6.861 -11.393 5.459 1.00 0.00 C ATOM 882 O LEU A 57 -6.018 -11.485 4.572 1.00 0.00 O ATOM 883 CB LEU A 57 -8.217 -13.319 4.316 1.00 0.00 C ATOM 884 CG LEU A 57 -8.916 -12.800 3.037 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.039 -11.842 2.237 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.319 -13.958 2.123 1.00 0.00 C ATOM 0 H LEU A 57 -9.740 -11.352 4.788 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.891 -12.995 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.221 -13.663 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.768 -14.191 4.669 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.800 -12.262 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.579 -11.509 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.786 -10.979 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.125 -12.352 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.808 -13.565 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.430 -14.518 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.006 -14.618 2.653 1.00 0.00 H new ATOM 898 N ALA A 58 -6.774 -10.472 6.429 1.00 0.00 N ATOM 899 CA ALA A 58 -5.710 -9.481 6.566 1.00 0.00 C ATOM 900 C ALA A 58 -4.332 -10.112 6.400 1.00 0.00 C ATOM 901 O ALA A 58 -3.480 -9.488 5.785 1.00 0.00 O ATOM 902 CB ALA A 58 -5.785 -8.818 7.943 1.00 0.00 C ATOM 0 H ALA A 58 -7.474 -10.398 7.167 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.852 -8.739 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.988 -8.081 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.750 -8.325 8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.671 -9.576 8.718 1.00 0.00 H new ATOM 908 N GLY A 59 -4.105 -11.320 6.929 1.00 0.00 N ATOM 909 CA GLY A 59 -2.827 -12.009 6.804 1.00 0.00 C ATOM 910 C GLY A 59 -2.405 -12.174 5.343 1.00 0.00 C ATOM 911 O GLY A 59 -1.250 -11.905 4.999 1.00 0.00 O ATOM 0 H GLY A 59 -4.806 -11.843 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.060 -11.451 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.897 -12.990 7.274 1.00 0.00 H new ATOM 915 N MET A 60 -3.352 -12.567 4.489 1.00 0.00 N ATOM 916 CA MET A 60 -3.194 -12.641 3.043 1.00 0.00 C ATOM 917 C MET A 60 -3.015 -11.241 2.461 1.00 0.00 C ATOM 918 O MET A 60 -2.058 -11.053 1.720 1.00 0.00 O ATOM 919 CB MET A 60 -4.389 -13.372 2.417 1.00 0.00 C ATOM 920 CG MET A 60 -4.092 -14.859 2.214 1.00 0.00 C ATOM 921 SD MET A 60 -5.538 -15.902 1.866 1.00 0.00 S ATOM 922 CE MET A 60 -5.489 -16.044 0.057 1.00 0.00 C ATOM 0 H MET A 60 -4.281 -12.851 4.800 1.00 0.00 H new ATOM 0 HA MET A 60 -2.297 -13.213 2.806 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.263 -13.259 3.058 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.635 -12.915 1.459 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.385 -14.962 1.391 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.598 -15.239 3.108 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.323 -16.659 -0.282 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.565 -15.052 -0.388 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.550 -16.507 -0.246 1.00 0.00 H new ATOM 932 N ILE A 61 -3.868 -10.261 2.797 1.00 0.00 N ATOM 933 CA ILE A 61 -3.770 -8.905 2.233 1.00 0.00 C ATOM 934 C ILE A 61 -2.376 -8.305 2.514 1.00 0.00 C ATOM 935 O ILE A 61 -1.802 -7.622 1.667 1.00 0.00 O ATOM 936 CB ILE A 61 -4.906 -7.967 2.730 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.308 -8.601 2.639 1.00 0.00 C ATOM 938 CG2 ILE A 61 -4.914 -6.668 1.909 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.475 -7.675 3.018 1.00 0.00 C ATOM 0 H ILE A 61 -4.635 -10.382 3.458 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.899 -8.991 1.154 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.694 -7.772 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.463 -8.955 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.335 -9.476 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.713 -6.018 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.956 -6.160 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.079 -6.903 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.416 -8.217 2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.354 -7.340 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.484 -6.810 2.354 1.00 0.00 H new ATOM 951 N LEU A 62 -1.807 -8.566 3.696 1.00 0.00 N ATOM 952 CA LEU A 62 -0.475 -8.104 4.087 1.00 0.00 C ATOM 953 C LEU A 62 0.605 -8.809 3.259 1.00 0.00 C ATOM 954 O LEU A 62 1.583 -8.172 2.857 1.00 0.00 O ATOM 955 CB LEU A 62 -0.250 -8.362 5.594 1.00 0.00 C ATOM 956 CG LEU A 62 -1.163 -7.527 6.517 1.00 0.00 C ATOM 957 CD1 LEU A 62 -1.203 -8.112 7.935 1.00 0.00 C ATOM 958 CD2 LEU A 62 -0.768 -6.058 6.593 1.00 0.00 C ATOM 0 H LEU A 62 -2.270 -9.115 4.420 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.407 -7.033 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.413 -9.420 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.790 -8.147 5.838 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.154 -7.578 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.854 -7.503 8.562 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.586 -9.132 7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.197 -8.118 8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.452 -5.531 7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.249 -5.974 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.818 -5.616 5.598 1.00 0.00 H new ATOM 970 N SER A 63 0.459 -10.113 3.000 1.00 0.00 N ATOM 971 CA SER A 63 1.368 -10.841 2.114 1.00 0.00 C ATOM 972 C SER A 63 1.230 -10.355 0.667 1.00 0.00 C ATOM 973 O SER A 63 2.195 -10.446 -0.093 1.00 0.00 O ATOM 974 CB SER A 63 1.092 -12.349 2.198 1.00 0.00 C ATOM 975 OG SER A 63 2.155 -13.104 1.622 1.00 0.00 O ATOM 0 H SER A 63 -0.286 -10.687 3.395 1.00 0.00 H new ATOM 0 HA SER A 63 2.390 -10.649 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.961 -12.639 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.159 -12.579 1.683 1.00 0.00 H new ATOM 0 HG SER A 63 1.952 -14.060 1.691 1.00 0.00 H new ATOM 981 N ASP A 64 0.049 -9.887 0.277 1.00 0.00 N ATOM 982 CA ASP A 64 -0.281 -9.426 -1.066 1.00 0.00 C ATOM 983 C ASP A 64 0.344 -8.064 -1.308 1.00 0.00 C ATOM 984 O ASP A 64 1.020 -7.892 -2.317 1.00 0.00 O ATOM 985 CB ASP A 64 -1.801 -9.359 -1.267 1.00 0.00 C ATOM 986 CG ASP A 64 -2.385 -10.619 -1.903 1.00 0.00 C ATOM 987 OD1 ASP A 64 -3.509 -10.532 -2.436 1.00 0.00 O ATOM 988 OD2 ASP A 64 -1.752 -11.707 -1.856 1.00 0.00 O ATOM 0 H ASP A 64 -0.741 -9.816 0.919 1.00 0.00 H new ATOM 0 HA ASP A 64 0.121 -10.139 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.281 -9.192 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.040 -8.500 -1.894 1.00 0.00 H new ATOM 994 N ALA A 65 0.195 -7.120 -0.372 1.00 0.00 N ATOM 995 CA ALA A 65 0.866 -5.822 -0.420 1.00 0.00 C ATOM 996 C ALA A 65 2.358 -6.027 -0.684 1.00 0.00 C ATOM 997 O ALA A 65 2.922 -5.497 -1.643 1.00 0.00 O ATOM 998 CB ALA A 65 0.642 -5.075 0.903 1.00 0.00 C ATOM 0 H ALA A 65 -0.401 -7.240 0.447 1.00 0.00 H new ATOM 0 HA ALA A 65 0.450 -5.222 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.143 -4.108 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.426 -4.924 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.050 -5.662 1.726 1.00 0.00 H new ATOM 1004 N GLU A 66 2.977 -6.872 0.137 1.00 0.00 N ATOM 1005 CA GLU A 66 4.347 -7.301 0.016 1.00 0.00 C ATOM 1006 C GLU A 66 4.636 -7.942 -1.353 1.00 0.00 C ATOM 1007 O GLU A 66 5.746 -7.802 -1.856 1.00 0.00 O ATOM 1008 CB GLU A 66 4.565 -8.287 1.167 1.00 0.00 C ATOM 1009 CG GLU A 66 6.030 -8.567 1.447 1.00 0.00 C ATOM 1010 CD GLU A 66 6.168 -9.778 2.357 1.00 0.00 C ATOM 1011 OE1 GLU A 66 5.824 -10.906 1.938 1.00 0.00 O ATOM 1012 OE2 GLU A 66 6.607 -9.608 3.517 1.00 0.00 O ATOM 0 H GLU A 66 2.505 -7.290 0.939 1.00 0.00 H new ATOM 0 HA GLU A 66 5.034 -6.457 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.099 -7.891 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.061 -9.225 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.559 -8.744 0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.491 -7.697 1.914 1.00 0.00 H new ATOM 1020 N GLU A 67 3.677 -8.642 -1.967 1.00 0.00 N ATOM 1021 CA GLU A 67 3.831 -9.345 -3.241 1.00 0.00 C ATOM 1022 C GLU A 67 4.019 -8.348 -4.378 1.00 0.00 C ATOM 1023 O GLU A 67 4.915 -8.515 -5.203 1.00 0.00 O ATOM 1024 CB GLU A 67 2.678 -10.341 -3.489 1.00 0.00 C ATOM 1025 CG GLU A 67 1.713 -10.160 -4.674 1.00 0.00 C ATOM 1026 CD GLU A 67 2.325 -10.636 -6.000 1.00 0.00 C ATOM 1027 OE1 GLU A 67 2.827 -11.799 -6.041 1.00 0.00 O ATOM 1028 OE2 GLU A 67 2.257 -9.887 -6.989 1.00 0.00 O ATOM 0 H GLU A 67 2.740 -8.737 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 67 4.735 -9.952 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.127 -11.329 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.071 -10.358 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.795 -10.714 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.439 -9.109 -4.759 1.00 0.00 H new ATOM 1036 N ALA A 68 3.234 -7.270 -4.384 1.00 0.00 N ATOM 1037 CA ALA A 68 3.341 -6.269 -5.433 1.00 0.00 C ATOM 1038 C ALA A 68 4.678 -5.558 -5.287 1.00 0.00 C ATOM 1039 O ALA A 68 5.297 -5.197 -6.281 1.00 0.00 O ATOM 1040 CB ALA A 68 2.186 -5.271 -5.377 1.00 0.00 C ATOM 0 H ALA A 68 2.524 -7.073 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 68 3.285 -6.761 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.299 -4.538 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.241 -5.800 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.192 -4.761 -4.413 1.00 0.00 H new ATOM 1046 N ILE A 69 5.122 -5.364 -4.047 1.00 0.00 N ATOM 1047 CA ILE A 69 6.364 -4.696 -3.728 1.00 0.00 C ATOM 1048 C ILE A 69 7.554 -5.583 -4.117 1.00 0.00 C ATOM 1049 O ILE A 69 8.513 -5.090 -4.700 1.00 0.00 O ATOM 1050 CB ILE A 69 6.330 -4.281 -2.240 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.226 -3.227 -2.004 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.678 -3.712 -1.808 1.00 0.00 C ATOM 1053 CD1 ILE A 69 4.970 -2.907 -0.526 1.00 0.00 C ATOM 0 H ILE A 69 4.610 -5.678 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 69 6.489 -3.781 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 69 6.115 -5.169 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.500 -2.308 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.298 -3.581 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.632 -3.426 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.452 -4.467 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.914 -2.836 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.181 -2.159 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.663 -3.814 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.883 -2.520 -0.074 1.00 0.00 H new ATOM 1065 N LYS A 70 7.527 -6.888 -3.836 1.00 0.00 N ATOM 1066 CA LYS A 70 8.656 -7.773 -4.135 1.00 0.00 C ATOM 1067 C LYS A 70 8.732 -8.134 -5.624 1.00 0.00 C ATOM 1068 O LYS A 70 9.668 -8.841 -5.995 1.00 0.00 O ATOM 1069 CB LYS A 70 8.631 -9.026 -3.234 1.00 0.00 C ATOM 1070 CG LYS A 70 7.557 -10.035 -3.662 1.00 0.00 C ATOM 1071 CD LYS A 70 7.334 -11.215 -2.710 1.00 0.00 C ATOM 1072 CE LYS A 70 6.871 -10.776 -1.323 1.00 0.00 C ATOM 1073 NZ LYS A 70 6.113 -11.830 -0.625 1.00 0.00 N ATOM 0 H LYS A 70 6.733 -7.357 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 70 9.570 -7.224 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.608 -9.508 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.451 -8.724 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.612 -9.504 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.825 -10.429 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.592 -11.888 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.261 -11.781 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.738 -10.499 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.249 -9.885 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.112 -11.638 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.134 -11.843 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.557 -12.753 -0.803 1.00 0.00 H new ATOM 1087 N LYS A 71 7.786 -7.715 -6.477 1.00 0.00 N ATOM 1088 CA LYS A 71 7.786 -8.094 -7.889 1.00 0.00 C ATOM 1089 C LYS A 71 8.268 -6.974 -8.804 1.00 0.00 C ATOM 1090 O LYS A 71 8.353 -7.191 -10.007 1.00 0.00 O ATOM 1091 CB LYS A 71 6.442 -8.716 -8.303 1.00 0.00 C ATOM 1092 CG LYS A 71 5.344 -7.684 -8.576 1.00 0.00 C ATOM 1093 CD LYS A 71 4.588 -7.966 -9.879 1.00 0.00 C ATOM 1094 CE LYS A 71 3.692 -9.202 -9.707 1.00 0.00 C ATOM 1095 NZ LYS A 71 2.662 -9.352 -10.755 1.00 0.00 N ATOM 0 H LYS A 71 7.010 -7.111 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 71 8.530 -8.880 -8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.592 -9.320 -9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.106 -9.391 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.639 -7.678 -7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.788 -6.690 -8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.982 -7.102 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.295 -8.129 -10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.319 -10.094 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.201 -9.149 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.100 -10.207 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.038 -8.520 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.122 -9.435 -11.684 1.00 0.00 H new ATOM 1109 N ILE A 72 8.589 -5.787 -8.284 1.00 0.00 N ATOM 1110 CA ILE A 72 8.977 -4.617 -9.089 1.00 0.00 C ATOM 1111 C ILE A 72 10.406 -4.767 -9.654 1.00 0.00 C ATOM 1112 O ILE A 72 11.005 -3.797 -10.119 1.00 0.00 O ATOM 1113 CB ILE A 72 8.738 -3.283 -8.328 1.00 0.00 C ATOM 1114 CG1 ILE A 72 7.521 -3.344 -7.379 1.00 0.00 C ATOM 1115 CG2 ILE A 72 8.507 -2.115 -9.308 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.339 -2.092 -6.515 1.00 0.00 C ATOM 0 H ILE A 72 8.588 -5.605 -7.280 1.00 0.00 H new ATOM 0 HA ILE A 72 8.319 -4.574 -9.957 1.00 0.00 H new ATOM 0 HB ILE A 72 9.641 -3.121 -7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.619 -3.498 -7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.626 -4.211 -6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.343 -1.196 -8.746 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.382 -1.998 -9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.633 -2.325 -9.924 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.464 -2.214 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.223 -1.947 -5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.201 -1.223 -7.158 1.00 0.00 H new ATOM 1128 N GLU A 73 10.969 -5.977 -9.601 1.00 0.00 N ATOM 1129 CA GLU A 73 12.227 -6.407 -10.155 1.00 0.00 C ATOM 1130 C GLU A 73 13.356 -5.437 -9.844 1.00 0.00 C ATOM 1131 O GLU A 73 14.219 -5.144 -10.673 1.00 0.00 O ATOM 1132 CB GLU A 73 11.955 -6.676 -11.639 1.00 0.00 C ATOM 1133 CG GLU A 73 12.923 -7.690 -12.222 1.00 0.00 C ATOM 1134 CD GLU A 73 12.538 -7.967 -13.681 1.00 0.00 C ATOM 1135 OE1 GLU A 73 13.246 -7.547 -14.621 1.00 0.00 O ATOM 1136 OE2 GLU A 73 11.481 -8.608 -13.923 1.00 0.00 O ATOM 0 H GLU A 73 10.499 -6.744 -9.120 1.00 0.00 H new ATOM 0 HA GLU A 73 12.599 -7.324 -9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.934 -7.039 -11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.030 -5.742 -12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.943 -7.311 -12.167 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.895 -8.613 -11.643 1.00 0.00 H new ATOM 1144 N GLY A 74 13.401 -4.987 -8.595 1.00 0.00 N ATOM 1145 CA GLY A 74 14.268 -3.887 -8.215 1.00 0.00 C ATOM 1146 C GLY A 74 14.265 -3.679 -6.705 1.00 0.00 C ATOM 1147 O GLY A 74 15.257 -3.220 -6.163 1.00 0.00 O ATOM 0 H GLY A 74 12.845 -5.370 -7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.284 -4.087 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.940 -2.974 -8.711 1.00 0.00 H new ATOM 1151 N VAL A 75 13.166 -3.997 -6.027 1.00 0.00 N ATOM 1152 CA VAL A 75 12.910 -3.983 -4.596 1.00 0.00 C ATOM 1153 C VAL A 75 13.654 -5.030 -3.813 1.00 0.00 C ATOM 1154 O VAL A 75 13.092 -6.063 -3.446 1.00 0.00 O ATOM 1155 CB VAL A 75 11.443 -3.948 -4.247 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.286 -3.684 -2.769 1.00 0.00 C ATOM 1157 CG2 VAL A 75 10.824 -2.832 -5.051 1.00 0.00 C ATOM 0 H VAL A 75 12.336 -4.308 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 75 13.331 -3.031 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 75 10.956 -4.896 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.226 -3.658 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.776 -4.477 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.742 -2.726 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.759 -2.771 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.304 -1.888 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.962 -3.030 -6.114 1.00 0.00 H new ATOM 1167 N ASN A 76 14.959 -4.846 -3.805 1.00 0.00 N ATOM 1168 CA ASN A 76 15.896 -5.771 -3.218 1.00 0.00 C ATOM 1169 C ASN A 76 15.372 -6.416 -1.936 1.00 0.00 C ATOM 1170 O ASN A 76 15.295 -7.642 -1.839 1.00 0.00 O ATOM 1171 CB ASN A 76 17.185 -5.035 -2.886 1.00 0.00 C ATOM 1172 CG ASN A 76 18.146 -5.916 -2.101 1.00 0.00 C ATOM 1173 OD1 ASN A 76 18.287 -7.108 -2.369 1.00 0.00 O ATOM 1174 ND2 ASN A 76 18.785 -5.346 -1.095 1.00 0.00 N ATOM 0 H ASN A 76 15.404 -4.027 -4.218 1.00 0.00 H new ATOM 0 HA ASN A 76 16.060 -6.562 -3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.664 -4.704 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.955 -4.140 -2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.417 -5.897 -0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.646 -4.355 -0.899 1.00 0.00 H new ATOM 1181 N ASN A 77 15.037 -5.560 -0.969 1.00 0.00 N ATOM 1182 CA ASN A 77 14.437 -5.918 0.308 1.00 0.00 C ATOM 1183 C ASN A 77 13.174 -5.093 0.576 1.00 0.00 C ATOM 1184 O ASN A 77 12.955 -4.068 -0.075 1.00 0.00 O ATOM 1185 CB ASN A 77 15.429 -5.616 1.416 1.00 0.00 C ATOM 1186 CG ASN A 77 14.988 -6.227 2.728 1.00 0.00 C ATOM 1187 OD1 ASN A 77 14.448 -7.324 2.783 1.00 0.00 O ATOM 1188 ND2 ASN A 77 15.095 -5.471 3.787 1.00 0.00 N ATOM 0 H ASN A 77 15.185 -4.555 -1.063 1.00 0.00 H new ATOM 0 HA ASN A 77 14.177 -6.976 0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.411 -6.003 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.532 -4.537 1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.725 -5.791 4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.549 -4.560 3.720 1.00 0.00 H new ATOM 1195 N VAL A 78 12.365 -5.515 1.555 1.00 0.00 N ATOM 1196 CA VAL A 78 10.943 -5.216 1.608 1.00 0.00 C ATOM 1197 C VAL A 78 10.530 -4.870 3.050 1.00 0.00 C ATOM 1198 O VAL A 78 10.170 -5.755 3.828 1.00 0.00 O ATOM 1199 CB VAL A 78 10.179 -6.438 1.034 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.675 -6.160 0.929 1.00 0.00 C ATOM 1201 CG2 VAL A 78 10.684 -6.869 -0.354 1.00 0.00 C ATOM 0 H VAL A 78 12.691 -6.080 2.339 1.00 0.00 H new ATOM 0 HA VAL A 78 10.696 -4.342 1.005 1.00 0.00 H new ATOM 0 HB VAL A 78 10.367 -7.247 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.170 -7.037 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.276 -5.937 1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.508 -5.308 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.109 -7.728 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.563 -6.045 -1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.738 -7.140 -0.290 1.00 0.00 H new ATOM 1211 N GLU A 79 10.585 -3.591 3.430 1.00 0.00 N ATOM 1212 CA GLU A 79 10.616 -3.171 4.829 1.00 0.00 C ATOM 1213 C GLU A 79 9.303 -2.438 5.151 1.00 0.00 C ATOM 1214 O GLU A 79 9.260 -1.221 5.368 1.00 0.00 O ATOM 1215 CB GLU A 79 11.913 -2.372 5.098 1.00 0.00 C ATOM 1216 CG GLU A 79 13.153 -3.126 4.594 1.00 0.00 C ATOM 1217 CD GLU A 79 14.503 -2.717 5.199 1.00 0.00 C ATOM 1218 OE1 GLU A 79 15.514 -2.857 4.470 1.00 0.00 O ATOM 1219 OE2 GLU A 79 14.620 -2.365 6.393 1.00 0.00 O ATOM 0 H GLU A 79 10.609 -2.814 2.769 1.00 0.00 H new ATOM 0 HA GLU A 79 10.660 -4.016 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.852 -1.401 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.010 -2.183 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.004 -4.189 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.212 -2.999 3.513 1.00 0.00 H new ATOM 1227 N VAL A 80 8.188 -3.176 5.103 1.00 0.00 N ATOM 1228 CA VAL A 80 6.825 -2.644 5.157 1.00 0.00 C ATOM 1229 C VAL A 80 6.248 -2.765 6.576 1.00 0.00 C ATOM 1230 O VAL A 80 5.718 -3.811 6.955 1.00 0.00 O ATOM 1231 CB VAL A 80 5.904 -3.274 4.072 1.00 0.00 C ATOM 1232 CG1 VAL A 80 5.468 -2.193 3.077 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.510 -4.439 3.275 1.00 0.00 C ATOM 0 H VAL A 80 8.212 -4.193 5.023 1.00 0.00 H new ATOM 0 HA VAL A 80 6.871 -1.581 4.919 1.00 0.00 H new ATOM 0 HB VAL A 80 5.068 -3.693 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.823 -2.636 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.922 -1.411 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.348 -1.762 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.782 -4.800 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.404 -4.097 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.774 -5.248 3.957 1.00 0.00 H new ATOM 1243 N GLU A 81 6.308 -1.682 7.353 1.00 0.00 N ATOM 1244 CA GLU A 81 5.766 -1.607 8.711 1.00 0.00 C ATOM 1245 C GLU A 81 4.253 -1.394 8.582 1.00 0.00 C ATOM 1246 O GLU A 81 3.793 -0.732 7.639 1.00 0.00 O ATOM 1247 CB GLU A 81 6.462 -0.455 9.461 1.00 0.00 C ATOM 1248 CG GLU A 81 6.228 -0.412 10.983 1.00 0.00 C ATOM 1249 CD GLU A 81 7.061 0.686 11.687 1.00 0.00 C ATOM 1250 OE1 GLU A 81 8.237 0.924 11.306 1.00 0.00 O ATOM 1251 OE2 GLU A 81 6.567 1.293 12.667 1.00 0.00 O ATOM 0 H GLU A 81 6.745 -0.812 7.048 1.00 0.00 H new ATOM 0 HA GLU A 81 5.946 -2.517 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.534 -0.523 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.125 0.489 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.170 -0.240 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.478 -1.382 11.412 1.00 0.00 H new ATOM 1259 N LEU A 82 3.461 -2.007 9.461 1.00 0.00 N ATOM 1260 CA LEU A 82 2.003 -1.917 9.457 1.00 0.00 C ATOM 1261 C LEU A 82 1.610 -1.066 10.649 1.00 0.00 C ATOM 1262 O LEU A 82 1.457 -1.557 11.770 1.00 0.00 O ATOM 1263 CB LEU A 82 1.349 -3.304 9.480 1.00 0.00 C ATOM 1264 CG LEU A 82 -0.189 -3.247 9.541 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.835 -2.700 8.267 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -0.722 -4.653 9.802 1.00 0.00 C ATOM 0 H LEU A 82 3.825 -2.593 10.212 1.00 0.00 H new ATOM 0 HA LEU A 82 1.645 -1.454 8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.651 -3.856 8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.720 -3.860 10.341 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.449 -2.559 10.345 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.919 -2.690 8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.480 -1.686 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.567 -3.334 7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.811 -4.627 9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.408 -5.316 8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.328 -5.021 10.749 1.00 0.00 H new ATOM 1278 N THR A 83 1.485 0.223 10.395 1.00 0.00 N ATOM 1279 CA THR A 83 1.303 1.233 11.410 1.00 0.00 C ATOM 1280 C THR A 83 -0.156 1.221 11.830 1.00 0.00 C ATOM 1281 O THR A 83 -1.008 1.765 11.120 1.00 0.00 O ATOM 1282 CB THR A 83 1.698 2.614 10.861 1.00 0.00 C ATOM 1283 OG1 THR A 83 2.659 2.542 9.829 1.00 0.00 O ATOM 1284 CG2 THR A 83 2.210 3.443 12.027 1.00 0.00 C ATOM 0 H THR A 83 1.509 0.603 9.449 1.00 0.00 H new ATOM 0 HA THR A 83 1.938 1.024 12.271 1.00 0.00 H new ATOM 0 HB THR A 83 0.822 3.079 10.408 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.221 2.281 8.992 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.500 4.432 11.671 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.424 3.543 12.775 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.074 2.950 12.472 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.455 0.563 12.949 1.00 0.00 N ATOM 1293 CA PHE A 84 -1.839 0.352 13.328 1.00 0.00 C ATOM 1294 C PHE A 84 -2.329 1.352 14.364 1.00 0.00 C ATOM 1295 O PHE A 84 -3.536 1.561 14.468 1.00 0.00 O ATOM 1296 CB PHE A 84 -2.055 -1.102 13.779 1.00 0.00 C ATOM 1297 CG PHE A 84 -3.019 -1.885 12.909 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.281 -1.357 12.585 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.643 -3.128 12.372 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -5.093 -2.006 11.640 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -3.490 -3.812 11.489 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.687 -3.223 11.071 1.00 0.00 C ATOM 0 H PHE A 84 0.233 0.175 13.595 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.449 0.529 12.442 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.093 -1.615 13.788 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.426 -1.102 14.804 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.626 -0.452 13.063 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.691 -3.561 12.643 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.035 -1.566 11.350 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.218 -4.794 11.132 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.294 -3.701 10.316 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.424 1.996 15.100 1.00 0.00 N ATOM 1313 CA ASP A 85 -1.790 3.022 16.066 1.00 0.00 C ATOM 1314 C ASP A 85 -2.535 4.188 15.425 1.00 0.00 C ATOM 1315 O ASP A 85 -3.570 4.582 15.972 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.570 3.561 16.819 1.00 0.00 C ATOM 1317 CG ASP A 85 -0.756 3.324 18.310 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -0.964 4.321 19.052 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -0.811 2.147 18.719 1.00 0.00 O ATOM 0 H ASP A 85 -0.421 1.820 15.041 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.458 2.530 16.773 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.336 3.065 16.470 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.447 4.626 16.621 1.00 0.00 H new ATOM 1325 N PRO A 86 -2.040 4.802 14.333 1.00 0.00 N ATOM 1326 CA PRO A 86 -2.660 6.008 13.828 1.00 0.00 C ATOM 1327 C PRO A 86 -3.940 5.679 13.044 1.00 0.00 C ATOM 1328 O PRO A 86 -3.979 4.682 12.318 1.00 0.00 O ATOM 1329 CB PRO A 86 -1.609 6.661 12.943 1.00 0.00 C ATOM 1330 CG PRO A 86 -0.808 5.475 12.415 1.00 0.00 C ATOM 1331 CD PRO A 86 -0.790 4.553 13.627 1.00 0.00 C ATOM 0 HA PRO A 86 -2.970 6.677 14.631 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.063 7.232 12.133 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.981 7.351 13.506 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.286 5.009 11.553 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.196 5.764 12.105 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.714 3.509 13.323 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.068 4.763 14.265 1.00 0.00 H new ATOM 1339 N PRO A 87 -4.998 6.495 13.140 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.257 6.230 12.462 1.00 0.00 C ATOM 1341 C PRO A 87 -6.191 6.661 10.990 1.00 0.00 C ATOM 1342 O PRO A 87 -6.301 7.855 10.706 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.299 6.982 13.283 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.527 8.196 13.801 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.117 7.646 14.018 1.00 0.00 C ATOM 0 HA PRO A 87 -6.507 5.170 12.411 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.154 7.278 12.675 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.685 6.372 14.100 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.534 9.015 13.081 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.956 8.581 14.726 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.364 8.398 13.781 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.965 7.360 15.059 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.021 5.698 10.073 1.00 0.00 N ATOM 1354 CA TRP A 88 -5.678 5.865 8.653 1.00 0.00 C ATOM 1355 C TRP A 88 -6.305 7.114 8.002 1.00 0.00 C ATOM 1356 O TRP A 88 -5.613 8.130 7.943 1.00 0.00 O ATOM 1357 CB TRP A 88 -5.870 4.531 7.899 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.257 4.591 6.450 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -5.475 4.927 5.392 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -7.572 4.302 5.895 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.227 4.865 4.228 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -7.527 4.494 4.486 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -8.806 3.918 6.460 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -8.650 4.303 3.673 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -9.938 3.721 5.650 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -9.860 3.915 4.259 1.00 0.00 C ATOM 0 H TRP A 88 -6.127 4.714 10.321 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.616 6.097 8.576 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.939 3.968 7.973 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.633 3.957 8.425 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.431 5.200 5.448 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.862 5.069 3.298 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.882 3.774 7.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.583 4.453 2.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -10.873 3.419 6.098 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.734 3.764 3.643 1.00 0.00 H new ATOM 1377 N THR A 89 -7.541 7.050 7.484 1.00 0.00 N ATOM 1378 CA THR A 89 -8.511 8.098 7.104 1.00 0.00 C ATOM 1379 C THR A 89 -9.488 7.467 6.090 1.00 0.00 C ATOM 1380 O THR A 89 -9.085 7.282 4.943 1.00 0.00 O ATOM 1381 CB THR A 89 -7.893 9.435 6.624 1.00 0.00 C ATOM 1382 OG1 THR A 89 -7.207 10.089 7.676 1.00 0.00 O ATOM 1383 CG2 THR A 89 -8.922 10.452 6.135 1.00 0.00 C ATOM 0 H THR A 89 -7.943 6.132 7.294 1.00 0.00 H new ATOM 0 HA THR A 89 -9.043 8.420 7.999 1.00 0.00 H new ATOM 0 HB THR A 89 -7.236 9.139 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.374 9.611 7.870 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.412 11.361 5.816 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.477 10.033 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 89 -9.613 10.688 6.944 1.00 0.00 H new ATOM 1391 N PRO A 90 -10.755 7.151 6.432 1.00 0.00 N ATOM 1392 CA PRO A 90 -11.725 6.589 5.474 1.00 0.00 C ATOM 1393 C PRO A 90 -11.970 7.482 4.267 1.00 0.00 C ATOM 1394 O PRO A 90 -12.317 7.000 3.188 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.024 6.342 6.252 1.00 0.00 C ATOM 1396 CG PRO A 90 -12.756 6.789 7.692 1.00 0.00 C ATOM 1397 CD PRO A 90 -11.430 7.542 7.656 1.00 0.00 C ATOM 0 HA PRO A 90 -11.324 5.665 5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.850 6.905 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.303 5.289 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.559 7.429 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.700 5.932 8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.597 8.619 7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.823 7.296 8.527 1.00 0.00 H new ATOM 1405 N GLU A 91 -11.721 8.777 4.422 1.00 0.00 N ATOM 1406 CA GLU A 91 -11.971 9.755 3.383 1.00 0.00 C ATOM 1407 C GLU A 91 -10.796 9.797 2.397 1.00 0.00 C ATOM 1408 O GLU A 91 -10.817 10.569 1.442 1.00 0.00 O ATOM 1409 CB GLU A 91 -12.312 11.144 3.941 1.00 0.00 C ATOM 1410 CG GLU A 91 -12.572 11.265 5.451 1.00 0.00 C ATOM 1411 CD GLU A 91 -13.619 10.354 6.109 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -13.468 10.109 7.328 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -14.556 9.883 5.441 1.00 0.00 O ATOM 0 H GLU A 91 -11.338 9.175 5.279 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.860 9.436 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.493 11.817 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.197 11.507 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.624 11.096 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.863 12.296 5.652 1.00 0.00 H new ATOM 1421 N ARG A 92 -9.753 8.977 2.596 1.00 0.00 N ATOM 1422 CA ARG A 92 -8.634 8.913 1.662 1.00 0.00 C ATOM 1423 C ARG A 92 -9.118 8.610 0.254 1.00 0.00 C ATOM 1424 O ARG A 92 -8.663 9.219 -0.715 1.00 0.00 O ATOM 1425 CB ARG A 92 -7.624 7.839 2.080 1.00 0.00 C ATOM 1426 CG ARG A 92 -6.673 8.347 3.169 1.00 0.00 C ATOM 1427 CD ARG A 92 -5.207 8.156 2.769 1.00 0.00 C ATOM 1428 NE ARG A 92 -4.335 9.211 3.301 1.00 0.00 N ATOM 1429 CZ ARG A 92 -3.989 9.350 4.579 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -4.438 8.485 5.481 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -3.218 10.358 4.947 1.00 0.00 N ATOM 0 H ARG A 92 -9.667 8.352 3.397 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.148 9.889 1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.157 6.960 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.047 7.525 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.865 9.403 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.869 7.816 4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.860 7.187 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.130 8.140 1.682 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.965 9.892 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.046 7.718 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.175 8.588 6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.889 11.028 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.952 10.466 5.926 1.00 0.00 H new ATOM 1445 N MET A 93 -10.044 7.661 0.195 1.00 0.00 N ATOM 1446 CA MET A 93 -10.635 7.098 -0.990 1.00 0.00 C ATOM 1447 C MET A 93 -11.292 8.153 -1.882 1.00 0.00 C ATOM 1448 O MET A 93 -11.571 9.290 -1.473 1.00 0.00 O ATOM 1449 CB MET A 93 -11.686 6.095 -0.529 1.00 0.00 C ATOM 1450 CG MET A 93 -11.140 4.940 0.309 1.00 0.00 C ATOM 1451 SD MET A 93 -12.236 3.507 0.256 1.00 0.00 S ATOM 1452 CE MET A 93 -13.735 4.192 1.012 1.00 0.00 C ATOM 0 H MET A 93 -10.423 7.240 1.044 1.00 0.00 H new ATOM 0 HA MET A 93 -9.853 6.631 -1.589 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.442 6.623 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.187 5.685 -1.406 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.153 4.658 -0.058 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.015 5.266 1.342 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.469 3.398 1.148 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.488 4.627 1.980 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.150 4.963 0.363 1.00 0.00 H new ATOM 1462 N SER A 94 -11.601 7.743 -3.115 1.00 0.00 N ATOM 1463 CA SER A 94 -12.261 8.603 -4.078 1.00 0.00 C ATOM 1464 C SER A 94 -13.571 9.184 -3.530 1.00 0.00 C ATOM 1465 O SER A 94 -14.323 8.496 -2.832 1.00 0.00 O ATOM 1466 CB SER A 94 -12.520 7.860 -5.387 1.00 0.00 C ATOM 1467 OG SER A 94 -11.331 7.827 -6.138 1.00 0.00 O ATOM 0 H SER A 94 -11.398 6.807 -3.465 1.00 0.00 H new ATOM 0 HA SER A 94 -11.586 9.436 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.864 6.846 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.309 8.357 -5.952 1.00 0.00 H new ATOM 0 HG SER A 94 -11.489 7.350 -6.979 1.00 0.00 H new ATOM 1473 N PRO A 95 -13.886 10.432 -3.912 1.00 0.00 N ATOM 1474 CA PRO A 95 -15.143 11.082 -3.578 1.00 0.00 C ATOM 1475 C PRO A 95 -16.338 10.411 -4.261 1.00 0.00 C ATOM 1476 O PRO A 95 -17.464 10.541 -3.788 1.00 0.00 O ATOM 1477 CB PRO A 95 -14.963 12.513 -4.081 1.00 0.00 C ATOM 1478 CG PRO A 95 -13.991 12.410 -5.246 1.00 0.00 C ATOM 1479 CD PRO A 95 -13.081 11.285 -4.781 1.00 0.00 C ATOM 0 HA PRO A 95 -15.357 11.027 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.914 12.941 -4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.569 13.159 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.496 12.169 -6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.445 13.339 -5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.697 10.721 -5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.218 11.681 -4.245 1.00 0.00 H new ATOM 1487 N GLU A 96 -16.069 9.677 -5.342 1.00 0.00 N ATOM 1488 CA GLU A 96 -16.998 8.863 -6.096 1.00 0.00 C ATOM 1489 C GLU A 96 -17.453 7.737 -5.170 1.00 0.00 C ATOM 1490 O GLU A 96 -18.610 7.671 -4.769 1.00 0.00 O ATOM 1491 CB GLU A 96 -16.260 8.380 -7.366 1.00 0.00 C ATOM 1492 CG GLU A 96 -17.020 8.714 -8.652 1.00 0.00 C ATOM 1493 CD GLU A 96 -18.242 7.817 -8.780 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -18.066 6.667 -9.240 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -19.339 8.222 -8.330 1.00 0.00 O ATOM 0 H GLU A 96 -15.128 9.639 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.891 9.393 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.271 8.838 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -16.110 7.302 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.326 9.760 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.368 8.580 -9.515 1.00 0.00 H new ATOM 1503 N LEU A 97 -16.506 6.909 -4.720 1.00 0.00 N ATOM 1504 CA LEU A 97 -16.780 5.815 -3.799 1.00 0.00 C ATOM 1505 C LEU A 97 -17.398 6.276 -2.483 1.00 0.00 C ATOM 1506 O LEU A 97 -18.116 5.489 -1.883 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.486 5.076 -3.448 1.00 0.00 C ATOM 1508 CG LEU A 97 -15.051 3.997 -4.428 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -13.602 3.678 -4.118 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -15.900 2.730 -4.294 1.00 0.00 C ATOM 0 H LEU A 97 -15.525 6.984 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 97 -17.489 5.170 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.683 5.809 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.606 4.620 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.177 4.356 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.246 2.905 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.997 4.577 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.519 3.322 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -15.557 1.985 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -15.804 2.333 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -16.945 2.970 -4.492 1.00 0.00 H new ATOM 1522 N ARG A 98 -17.140 7.505 -2.007 1.00 0.00 N ATOM 1523 CA ARG A 98 -17.764 7.993 -0.773 1.00 0.00 C ATOM 1524 C ARG A 98 -19.275 8.062 -0.966 1.00 0.00 C ATOM 1525 O ARG A 98 -20.012 7.573 -0.114 1.00 0.00 O ATOM 1526 CB ARG A 98 -17.215 9.366 -0.346 1.00 0.00 C ATOM 1527 CG ARG A 98 -15.826 9.246 0.291 1.00 0.00 C ATOM 1528 CD ARG A 98 -15.243 10.586 0.734 1.00 0.00 C ATOM 1529 NE ARG A 98 -13.928 10.817 0.108 1.00 0.00 N ATOM 1530 CZ ARG A 98 -13.258 11.971 0.137 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -13.737 12.992 0.835 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -12.124 12.085 -0.543 1.00 0.00 N ATOM 0 H ARG A 98 -16.510 8.171 -2.455 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.522 7.293 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.162 10.023 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -17.902 9.829 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.886 8.582 1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.146 8.781 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.926 11.392 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.142 10.603 1.819 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.497 10.035 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.614 12.893 1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.229 13.876 0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.771 11.294 -1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.606 12.963 -0.526 1.00 0.00 H new ATOM 1546 N GLU A 99 -19.706 8.602 -2.106 1.00 0.00 N ATOM 1547 CA GLU A 99 -21.098 8.614 -2.526 1.00 0.00 C ATOM 1548 C GLU A 99 -21.635 7.196 -2.750 1.00 0.00 C ATOM 1549 O GLU A 99 -22.810 6.946 -2.494 1.00 0.00 O ATOM 1550 CB GLU A 99 -21.238 9.468 -3.804 1.00 0.00 C ATOM 1551 CG GLU A 99 -21.938 10.812 -3.574 1.00 0.00 C ATOM 1552 CD GLU A 99 -23.444 10.622 -3.348 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -24.236 10.910 -4.268 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -23.838 10.157 -2.256 1.00 0.00 O ATOM 0 H GLU A 99 -19.080 9.052 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 99 -21.698 9.055 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -20.247 9.651 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.795 8.901 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -21.498 11.311 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.776 11.461 -4.434 1.00 0.00 H new ATOM 1562 N LYS A 100 -20.804 6.264 -3.232 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.237 4.887 -3.442 1.00 0.00 C ATOM 1564 C LYS A 100 -21.495 4.202 -2.101 1.00 0.00 C ATOM 1565 O LYS A 100 -22.615 3.768 -1.844 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.231 4.074 -4.273 1.00 0.00 C ATOM 1567 CG LYS A 100 -20.958 2.874 -4.902 1.00 0.00 C ATOM 1568 CD LYS A 100 -20.052 1.660 -5.087 1.00 0.00 C ATOM 1569 CE LYS A 100 -18.970 1.881 -6.141 1.00 0.00 C ATOM 1570 NZ LYS A 100 -18.105 0.692 -6.288 1.00 0.00 N ATOM 0 H LYS A 100 -19.831 6.443 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.165 4.926 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.793 4.699 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.412 3.730 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -21.803 2.597 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -21.364 3.168 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.580 1.417 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -20.659 0.800 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.436 2.114 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.362 2.742 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.381 0.877 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.642 0.485 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.682 -0.124 -6.576 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.440 4.029 -1.299 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.498 3.308 -0.038 1.00 0.00 C ATOM 1586 C PHE A 101 -21.470 3.985 0.931 1.00 0.00 C ATOM 1587 O PHE A 101 -22.208 3.277 1.623 1.00 0.00 O ATOM 1588 CB PHE A 101 -19.086 3.195 0.569 1.00 0.00 C ATOM 1589 CG PHE A 101 -18.286 1.990 0.107 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -17.960 1.811 -1.255 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -17.868 1.031 1.053 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -17.273 0.655 -1.668 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -17.179 -0.120 0.634 1.00 0.00 C ATOM 1594 CZ PHE A 101 -16.882 -0.311 -0.727 1.00 0.00 C ATOM 0 H PHE A 101 -19.512 4.393 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 101 -20.872 2.301 -0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -18.528 4.099 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -19.175 3.159 1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -18.238 2.562 -1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -18.078 1.182 2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -17.045 0.510 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -16.877 -0.860 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 101 -16.355 -1.198 -1.047 1.00 0.00 H new ATOM 1604 N GLY A 102 -21.494 5.320 0.961 1.00 0.00 N ATOM 1605 CA GLY A 102 -22.203 6.107 1.955 1.00 0.00 C ATOM 1606 C GLY A 102 -21.267 6.374 3.123 1.00 0.00 C ATOM 1607 O GLY A 102 -21.455 5.819 4.205 1.00 0.00 O ATOM 0 H GLY A 102 -21.005 5.892 0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.543 7.047 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -23.091 5.574 2.296 1.00 0.00 H new ATOM 1611 N VAL A 103 -20.198 7.135 2.885 1.00 0.00 N ATOM 1612 CA VAL A 103 -19.224 7.485 3.913 1.00 0.00 C ATOM 1613 C VAL A 103 -19.799 8.685 4.644 1.00 0.00 C ATOM 1614 O VAL A 103 -20.470 8.454 5.663 1.00 0.00 O ATOM 1615 CB VAL A 103 -17.834 7.693 3.287 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -16.797 8.155 4.314 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.307 6.383 2.676 1.00 0.00 C ATOM 0 H VAL A 103 -19.985 7.527 1.968 1.00 0.00 H new ATOM 0 HA VAL A 103 -19.059 6.692 4.642 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.965 8.461 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.833 8.288 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.115 9.101 4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.704 7.405 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.323 6.555 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.231 5.623 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.993 6.041 1.901 1.00 0.00 H new