USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 825 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 Single : A 10 TYR OH : rot 70:sc= -1.19 USER MOD Single : A 11 THR OG1 : rot 132:sc=0.000983 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.792 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 135:sc= 0.692 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 77:sc= 0.209 USER MOD Single : A 69 SER OG : rot 11:sc= 0.346 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 78 MET CE :methyl 154:sc= -2.4 (180deg=-3.76!) USER MOD Single : A 82 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 84 SER OG : rot -55:sc= 1.15 USER MOD Single : A 87 THR OG1 : rot 157:sc= 0.961 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot -16:sc= 0.0811 USER MOD Single : A 121 CYS SG : rot 99:sc= 0.0472 USER MOD Single : A 125 THR OG1 : rot -75:sc= 1.12 USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 7.045 6.038 -8.193 1.00 54.03 N ATOM 56 CA GLU A 6 7.930 5.831 -9.334 1.00 35.44 C ATOM 57 C GLU A 6 7.567 6.769 -10.481 1.00 61.33 C ATOM 58 O GLU A 6 8.377 7.577 -10.936 1.00 24.34 O ATOM 59 CB GLU A 6 7.857 4.377 -9.806 1.00 52.10 C ATOM 60 CG GLU A 6 8.073 4.211 -11.301 1.00 13.51 C ATOM 61 CD GLU A 6 8.342 2.772 -11.696 1.00 11.34 C ATOM 62 OE1 GLU A 6 8.195 1.883 -10.831 1.00 4.34 O ATOM 63 OE2 GLU A 6 8.699 2.535 -12.868 1.00 61.13 O ATOM 0 HA GLU A 6 8.949 6.052 -9.016 1.00 35.44 H new ATOM 0 HB2 GLU A 6 8.606 3.792 -9.272 1.00 52.10 H new ATOM 0 HB3 GLU A 6 6.883 3.966 -9.540 1.00 52.10 H new ATOM 0 HG2 GLU A 6 7.193 4.571 -11.834 1.00 13.51 H new ATOM 0 HG3 GLU A 6 8.912 4.833 -11.614 1.00 13.51 H new ATOM 70 N PRO A 7 6.320 6.660 -10.963 1.00 32.35 N ATOM 71 CA PRO A 7 5.821 7.490 -12.063 1.00 33.40 C ATOM 72 C PRO A 7 5.640 8.947 -11.654 1.00 44.50 C ATOM 73 O PRO A 7 5.613 9.842 -12.501 1.00 32.33 O ATOM 74 CB PRO A 7 4.468 6.857 -12.399 1.00 13.23 C ATOM 75 CG PRO A 7 4.039 6.189 -11.138 1.00 71.43 C ATOM 76 CD PRO A 7 5.301 5.718 -10.469 1.00 53.31 C ATOM 0 HA PRO A 7 6.516 7.515 -12.902 1.00 33.40 H new ATOM 0 HB2 PRO A 7 3.746 7.610 -12.714 1.00 13.23 H new ATOM 0 HB3 PRO A 7 4.558 6.141 -13.216 1.00 13.23 H new ATOM 0 HG2 PRO A 7 3.492 6.880 -10.497 1.00 71.43 H new ATOM 0 HG3 PRO A 7 3.372 5.352 -11.347 1.00 71.43 H new ATOM 0 HD2 PRO A 7 5.216 5.751 -9.383 1.00 53.31 H new ATOM 0 HD3 PRO A 7 5.540 4.689 -10.739 1.00 53.31 H new ATOM 84 N LEU A 8 5.519 9.181 -10.352 1.00 34.00 N ATOM 85 CA LEU A 8 5.341 10.532 -9.830 1.00 65.32 C ATOM 86 C LEU A 8 6.654 11.308 -9.871 1.00 21.43 C ATOM 87 O LEU A 8 6.666 12.534 -9.761 1.00 23.25 O ATOM 88 CB LEU A 8 4.810 10.480 -8.397 1.00 3.34 C ATOM 89 CG LEU A 8 4.005 11.695 -7.935 1.00 53.44 C ATOM 90 CD1 LEU A 8 2.614 11.275 -7.486 1.00 21.41 C ATOM 91 CD2 LEU A 8 4.732 12.423 -6.814 1.00 41.23 C ATOM 0 H LEU A 8 5.541 8.453 -9.638 1.00 34.00 H new ATOM 0 HA LEU A 8 4.616 11.047 -10.460 1.00 65.32 H new ATOM 0 HB2 LEU A 8 4.183 9.594 -8.295 1.00 3.34 H new ATOM 0 HB3 LEU A 8 5.656 10.352 -7.722 1.00 3.34 H new ATOM 0 HG LEU A 8 3.901 12.379 -8.777 1.00 53.44 H new ATOM 0 HD11 LEU A 8 2.056 12.153 -7.161 1.00 21.41 H new ATOM 0 HD12 LEU A 8 2.092 10.800 -8.316 1.00 21.41 H new ATOM 0 HD13 LEU A 8 2.696 10.570 -6.658 1.00 21.41 H new ATOM 0 HD21 LEU A 8 4.144 13.285 -6.498 1.00 41.23 H new ATOM 0 HD22 LEU A 8 4.868 11.747 -5.969 1.00 41.23 H new ATOM 0 HD23 LEU A 8 5.706 12.759 -7.170 1.00 41.23 H new ATOM 103 N PHE A 9 7.758 10.585 -10.032 1.00 12.14 N ATOM 104 CA PHE A 9 9.076 11.206 -10.088 1.00 62.52 C ATOM 105 C PHE A 9 9.179 12.156 -11.277 1.00 44.14 C ATOM 106 O PHE A 9 9.987 13.086 -11.275 1.00 32.32 O ATOM 107 CB PHE A 9 10.164 10.134 -10.182 1.00 21.42 C ATOM 108 CG PHE A 9 11.491 10.665 -10.645 1.00 34.33 C ATOM 109 CD1 PHE A 9 12.261 11.462 -9.813 1.00 72.15 C ATOM 110 CD2 PHE A 9 11.968 10.366 -11.911 1.00 14.22 C ATOM 111 CE1 PHE A 9 13.481 11.952 -10.237 1.00 44.44 C ATOM 112 CE2 PHE A 9 13.188 10.853 -12.340 1.00 53.52 C ATOM 113 CZ PHE A 9 13.946 11.647 -11.502 1.00 20.12 C ATOM 0 H PHE A 9 7.766 9.569 -10.126 1.00 12.14 H new ATOM 0 HA PHE A 9 9.219 11.780 -9.173 1.00 62.52 H new ATOM 0 HB2 PHE A 9 10.289 9.668 -9.205 1.00 21.42 H new ATOM 0 HB3 PHE A 9 9.835 9.353 -10.868 1.00 21.42 H new ATOM 0 HD1 PHE A 9 11.904 11.703 -8.823 1.00 72.15 H new ATOM 0 HD2 PHE A 9 11.379 9.745 -12.570 1.00 14.22 H new ATOM 0 HE1 PHE A 9 14.071 12.573 -9.580 1.00 44.44 H new ATOM 0 HE2 PHE A 9 13.548 10.613 -13.329 1.00 53.52 H new ATOM 0 HZ PHE A 9 14.900 12.029 -11.835 1.00 20.12 H new ATOM 123 N TYR A 10 8.357 11.916 -12.292 1.00 73.41 N ATOM 124 CA TYR A 10 8.357 12.747 -13.490 1.00 14.44 C ATOM 125 C TYR A 10 7.681 14.089 -13.221 1.00 75.43 C ATOM 126 O TYR A 10 8.293 15.147 -13.367 1.00 11.11 O ATOM 127 CB TYR A 10 7.647 12.026 -14.637 1.00 12.42 C ATOM 128 CG TYR A 10 8.174 12.399 -16.004 1.00 72.32 C ATOM 129 CD1 TYR A 10 7.669 13.497 -16.690 1.00 34.24 C ATOM 130 CD2 TYR A 10 9.176 11.652 -16.611 1.00 50.13 C ATOM 131 CE1 TYR A 10 8.146 13.840 -17.939 1.00 45.45 C ATOM 132 CE2 TYR A 10 9.661 11.989 -17.860 1.00 51.21 C ATOM 133 CZ TYR A 10 9.143 13.084 -18.520 1.00 71.12 C ATOM 134 OH TYR A 10 9.622 13.422 -19.765 1.00 3.10 O ATOM 0 H TYR A 10 7.681 11.152 -12.309 1.00 73.41 H new ATOM 0 HA TYR A 10 9.393 12.932 -13.773 1.00 14.44 H new ATOM 0 HB2 TYR A 10 7.750 10.950 -14.498 1.00 12.42 H new ATOM 0 HB3 TYR A 10 6.582 12.252 -14.593 1.00 12.42 H new ATOM 0 HD1 TYR A 10 6.890 14.092 -16.238 1.00 34.24 H new ATOM 0 HD2 TYR A 10 9.583 10.793 -16.098 1.00 50.13 H new ATOM 0 HE1 TYR A 10 7.741 14.696 -18.459 1.00 45.45 H new ATOM 0 HE2 TYR A 10 10.441 11.398 -18.317 1.00 51.21 H new ATOM 0 HH TYR A 10 10.135 14.255 -19.703 1.00 3.10 H new ATOM 144 N THR A 11 6.412 14.036 -12.827 1.00 51.13 N ATOM 145 CA THR A 11 5.651 15.245 -12.539 1.00 34.14 C ATOM 146 C THR A 11 6.372 16.118 -11.518 1.00 52.35 C ATOM 147 O THR A 11 6.366 17.345 -11.624 1.00 4.21 O ATOM 148 CB THR A 11 4.244 14.910 -12.007 1.00 62.43 C ATOM 149 OG1 THR A 11 3.570 16.110 -11.613 1.00 63.01 O ATOM 150 CG2 THR A 11 4.325 13.956 -10.825 1.00 25.11 C ATOM 0 H THR A 11 5.890 13.169 -12.700 1.00 51.13 H new ATOM 0 HA THR A 11 5.557 15.790 -13.478 1.00 34.14 H new ATOM 0 HB THR A 11 3.684 14.425 -12.807 1.00 62.43 H new ATOM 0 HG1 THR A 11 2.667 16.118 -11.993 1.00 63.01 H new ATOM 0 HG21 THR A 11 3.320 13.734 -10.467 1.00 25.11 H new ATOM 0 HG22 THR A 11 4.811 13.032 -11.136 1.00 25.11 H new ATOM 0 HG23 THR A 11 4.902 14.418 -10.024 1.00 25.11 H new ATOM 158 N ILE A 12 6.992 15.479 -10.532 1.00 51.14 N ATOM 159 CA ILE A 12 7.719 16.199 -9.494 1.00 42.04 C ATOM 160 C ILE A 12 8.840 17.042 -10.093 1.00 23.03 C ATOM 161 O ILE A 12 8.988 18.218 -9.765 1.00 43.53 O ATOM 162 CB ILE A 12 8.317 15.234 -8.454 1.00 1.14 C ATOM 163 CG1 ILE A 12 7.205 14.600 -7.616 1.00 71.30 C ATOM 164 CG2 ILE A 12 9.308 15.966 -7.561 1.00 22.12 C ATOM 165 CD1 ILE A 12 6.715 15.485 -6.491 1.00 45.15 C ATOM 0 H ILE A 12 7.005 14.464 -10.430 1.00 51.14 H new ATOM 0 HA ILE A 12 7.000 16.853 -9.000 1.00 42.04 H new ATOM 0 HB ILE A 12 8.848 14.440 -8.979 1.00 1.14 H new ATOM 0 HG12 ILE A 12 6.365 14.356 -8.267 1.00 71.30 H new ATOM 0 HG13 ILE A 12 7.567 13.661 -7.197 1.00 71.30 H new ATOM 0 HG21 ILE A 12 9.722 15.271 -6.831 1.00 22.12 H new ATOM 0 HG22 ILE A 12 10.114 16.375 -8.171 1.00 22.12 H new ATOM 0 HG23 ILE A 12 8.799 16.777 -7.041 1.00 22.12 H new ATOM 0 HD11 ILE A 12 5.928 14.971 -5.940 1.00 45.15 H new ATOM 0 HD12 ILE A 12 7.542 15.709 -5.818 1.00 45.15 H new ATOM 0 HD13 ILE A 12 6.322 16.414 -6.904 1.00 45.15 H new ATOM 177 N ASN A 13 9.627 16.432 -10.973 1.00 72.43 N ATOM 178 CA ASN A 13 10.734 17.126 -11.619 1.00 45.42 C ATOM 179 C ASN A 13 10.221 18.218 -12.553 1.00 43.31 C ATOM 180 O ASN A 13 10.983 19.078 -12.998 1.00 55.23 O ATOM 181 CB ASN A 13 11.599 16.135 -12.401 1.00 52.44 C ATOM 182 CG ASN A 13 12.817 15.686 -11.617 1.00 53.14 C ATOM 183 OD1 ASN A 13 12.712 15.304 -10.452 1.00 30.41 O ATOM 184 ND2 ASN A 13 13.980 15.731 -12.255 1.00 64.04 N ATOM 0 H ASN A 13 9.518 15.458 -11.255 1.00 72.43 H new ATOM 0 HA ASN A 13 11.340 17.592 -10.842 1.00 45.42 H new ATOM 0 HB2 ASN A 13 11.000 15.264 -12.666 1.00 52.44 H new ATOM 0 HB3 ASN A 13 11.921 16.596 -13.335 1.00 52.44 H new ATOM 0 HD21 ASN A 13 14.834 15.442 -11.779 1.00 64.04 H new ATOM 0 HD22 ASN A 13 14.019 16.055 -13.221 1.00 64.04 H new ATOM 191 N LEU A 14 8.926 18.178 -12.845 1.00 41.25 N ATOM 192 CA LEU A 14 8.310 19.164 -13.726 1.00 54.41 C ATOM 193 C LEU A 14 7.823 20.373 -12.934 1.00 11.45 C ATOM 194 O LEU A 14 7.693 21.472 -13.475 1.00 64.42 O ATOM 195 CB LEU A 14 7.142 18.537 -14.489 1.00 72.30 C ATOM 196 CG LEU A 14 7.081 18.835 -15.987 1.00 51.44 C ATOM 197 CD1 LEU A 14 6.047 17.951 -16.666 1.00 53.15 C ATOM 198 CD2 LEU A 14 6.767 20.305 -16.226 1.00 5.32 C ATOM 0 H LEU A 14 8.282 17.474 -12.485 1.00 41.25 H new ATOM 0 HA LEU A 14 9.064 19.499 -14.439 1.00 54.41 H new ATOM 0 HB2 LEU A 14 7.186 17.456 -14.356 1.00 72.30 H new ATOM 0 HB3 LEU A 14 6.212 18.877 -14.033 1.00 72.30 H new ATOM 0 HG LEU A 14 8.057 18.617 -16.421 1.00 51.44 H new ATOM 0 HD11 LEU A 14 6.018 18.178 -17.732 1.00 53.15 H new ATOM 0 HD12 LEU A 14 6.315 16.904 -16.525 1.00 53.15 H new ATOM 0 HD13 LEU A 14 5.066 18.137 -16.229 1.00 53.15 H new ATOM 0 HD21 LEU A 14 6.727 20.499 -17.298 1.00 5.32 H new ATOM 0 HD22 LEU A 14 5.804 20.549 -15.777 1.00 5.32 H new ATOM 0 HD23 LEU A 14 7.544 20.921 -15.774 1.00 5.32 H new ATOM 210 N ILE A 15 7.557 20.164 -11.649 1.00 21.14 N ATOM 211 CA ILE A 15 7.088 21.237 -10.781 1.00 43.42 C ATOM 212 C ILE A 15 8.242 22.133 -10.342 1.00 31.54 C ATOM 213 O ILE A 15 8.067 23.335 -10.143 1.00 14.04 O ATOM 214 CB ILE A 15 6.379 20.683 -9.532 1.00 20.52 C ATOM 215 CG1 ILE A 15 4.950 20.259 -9.876 1.00 74.10 C ATOM 216 CG2 ILE A 15 6.376 21.720 -8.419 1.00 44.45 C ATOM 217 CD1 ILE A 15 4.696 18.779 -9.689 1.00 42.40 C ATOM 0 H ILE A 15 7.658 19.261 -11.186 1.00 21.14 H new ATOM 0 HA ILE A 15 6.376 21.823 -11.362 1.00 43.42 H new ATOM 0 HB ILE A 15 6.924 19.806 -9.183 1.00 20.52 H new ATOM 0 HG12 ILE A 15 4.253 20.820 -9.253 1.00 74.10 H new ATOM 0 HG13 ILE A 15 4.739 20.527 -10.911 1.00 74.10 H new ATOM 0 HG21 ILE A 15 5.871 21.312 -7.543 1.00 44.45 H new ATOM 0 HG22 ILE A 15 7.403 21.977 -8.159 1.00 44.45 H new ATOM 0 HG23 ILE A 15 5.852 22.614 -8.756 1.00 44.45 H new ATOM 0 HD11 ILE A 15 3.663 18.551 -9.952 1.00 42.40 H new ATOM 0 HD12 ILE A 15 5.368 18.210 -10.332 1.00 42.40 H new ATOM 0 HD13 ILE A 15 4.874 18.508 -8.648 1.00 42.40 H new ATOM 229 N ILE A 16 9.421 21.539 -10.194 1.00 22.52 N ATOM 230 CA ILE A 16 10.604 22.283 -9.781 1.00 25.21 C ATOM 231 C ILE A 16 10.814 23.513 -10.657 1.00 73.15 C ATOM 232 O ILE A 16 10.867 24.646 -10.178 1.00 74.22 O ATOM 233 CB ILE A 16 11.869 21.406 -9.836 1.00 61.45 C ATOM 234 CG1 ILE A 16 12.073 20.682 -8.504 1.00 3.12 C ATOM 235 CG2 ILE A 16 13.086 22.252 -10.178 1.00 3.13 C ATOM 236 CD1 ILE A 16 12.431 21.608 -7.362 1.00 60.23 C ATOM 0 H ILE A 16 9.582 20.545 -10.354 1.00 22.52 H new ATOM 0 HA ILE A 16 10.434 22.598 -8.751 1.00 25.21 H new ATOM 0 HB ILE A 16 11.740 20.658 -10.618 1.00 61.45 H new ATOM 0 HG12 ILE A 16 11.161 20.141 -8.250 1.00 3.12 H new ATOM 0 HG13 ILE A 16 12.862 19.940 -8.620 1.00 3.12 H new ATOM 0 HG21 ILE A 16 13.972 21.618 -10.213 1.00 3.13 H new ATOM 0 HG22 ILE A 16 12.939 22.725 -11.149 1.00 3.13 H new ATOM 0 HG23 ILE A 16 13.220 23.021 -9.417 1.00 3.13 H new ATOM 0 HD11 ILE A 16 12.561 21.027 -6.449 1.00 60.23 H new ATOM 0 HD12 ILE A 16 13.359 22.130 -7.594 1.00 60.23 H new ATOM 0 HD13 ILE A 16 11.632 22.335 -7.219 1.00 60.23 H new ATOM 248 N PRO A 17 10.934 23.288 -11.974 1.00 62.42 N ATOM 249 CA PRO A 17 11.137 24.366 -12.947 1.00 21.35 C ATOM 250 C PRO A 17 9.898 25.240 -13.110 1.00 23.30 C ATOM 251 O PRO A 17 10.003 26.448 -13.327 1.00 25.44 O ATOM 252 CB PRO A 17 11.439 23.618 -14.247 1.00 64.15 C ATOM 253 CG PRO A 17 10.788 22.289 -14.080 1.00 72.44 C ATOM 254 CD PRO A 17 10.881 21.963 -12.615 1.00 51.03 C ATOM 0 HA PRO A 17 11.928 25.050 -12.639 1.00 21.35 H new ATOM 0 HB2 PRO A 17 11.039 24.149 -15.111 1.00 64.15 H new ATOM 0 HB3 PRO A 17 12.513 23.516 -14.405 1.00 64.15 H new ATOM 0 HG2 PRO A 17 9.749 22.320 -14.408 1.00 72.44 H new ATOM 0 HG3 PRO A 17 11.290 21.531 -14.681 1.00 72.44 H new ATOM 0 HD2 PRO A 17 10.020 21.387 -12.276 1.00 51.03 H new ATOM 0 HD3 PRO A 17 11.769 21.372 -12.390 1.00 51.03 H new ATOM 262 N CYS A 18 8.727 24.623 -13.005 1.00 32.34 N ATOM 263 CA CYS A 18 7.467 25.345 -13.141 1.00 40.32 C ATOM 264 C CYS A 18 7.430 26.554 -12.211 1.00 72.34 C ATOM 265 O CYS A 18 7.213 27.683 -12.652 1.00 31.33 O ATOM 266 CB CYS A 18 6.288 24.418 -12.840 1.00 43.53 C ATOM 267 SG CYS A 18 5.096 24.278 -14.192 1.00 70.13 S ATOM 0 H CYS A 18 8.623 23.624 -12.826 1.00 32.34 H new ATOM 0 HA CYS A 18 7.388 25.698 -14.169 1.00 40.32 H new ATOM 0 HB2 CYS A 18 6.671 23.425 -12.603 1.00 43.53 H new ATOM 0 HB3 CYS A 18 5.772 24.781 -11.951 1.00 43.53 H new ATOM 0 HG CYS A 18 4.138 23.472 -13.844 1.00 70.13 H new ATOM 273 N VAL A 19 7.641 26.309 -10.922 1.00 62.31 N ATOM 274 CA VAL A 19 7.631 27.376 -9.929 1.00 43.43 C ATOM 275 C VAL A 19 8.865 28.262 -10.062 1.00 50.14 C ATOM 276 O VAL A 19 8.832 29.446 -9.724 1.00 43.15 O ATOM 277 CB VAL A 19 7.571 26.811 -8.498 1.00 14.22 C ATOM 278 CG1 VAL A 19 7.244 27.913 -7.502 1.00 2.43 C ATOM 279 CG2 VAL A 19 6.551 25.685 -8.413 1.00 0.42 C ATOM 0 H VAL A 19 7.821 25.380 -10.541 1.00 62.31 H new ATOM 0 HA VAL A 19 6.737 27.972 -10.114 1.00 43.43 H new ATOM 0 HB VAL A 19 8.550 26.404 -8.245 1.00 14.22 H new ATOM 0 HG11 VAL A 19 7.206 27.495 -6.496 1.00 2.43 H new ATOM 0 HG12 VAL A 19 8.014 28.683 -7.546 1.00 2.43 H new ATOM 0 HG13 VAL A 19 6.277 28.352 -7.749 1.00 2.43 H new ATOM 0 HG21 VAL A 19 6.521 25.297 -7.395 1.00 0.42 H new ATOM 0 HG22 VAL A 19 5.566 26.065 -8.685 1.00 0.42 H new ATOM 0 HG23 VAL A 19 6.834 24.886 -9.098 1.00 0.42 H new ATOM 289 N LEU A 20 9.953 27.681 -10.557 1.00 55.42 N ATOM 290 CA LEU A 20 11.199 28.418 -10.736 1.00 51.11 C ATOM 291 C LEU A 20 11.041 29.506 -11.793 1.00 44.33 C ATOM 292 O LEU A 20 11.470 30.644 -11.596 1.00 33.33 O ATOM 293 CB LEU A 20 12.326 27.463 -11.134 1.00 52.45 C ATOM 294 CG LEU A 20 13.691 28.105 -11.387 1.00 72.40 C ATOM 295 CD1 LEU A 20 14.809 27.134 -11.041 1.00 31.42 C ATOM 296 CD2 LEU A 20 13.807 28.560 -12.834 1.00 54.04 C ATOM 0 H LEU A 20 9.997 26.702 -10.841 1.00 55.42 H new ATOM 0 HA LEU A 20 11.451 28.893 -9.788 1.00 51.11 H new ATOM 0 HB2 LEU A 20 12.438 26.717 -10.347 1.00 52.45 H new ATOM 0 HB3 LEU A 20 12.024 26.932 -12.037 1.00 52.45 H new ATOM 0 HG LEU A 20 13.784 28.980 -10.744 1.00 72.40 H new ATOM 0 HD11 LEU A 20 15.773 27.608 -11.227 1.00 31.42 H new ATOM 0 HD12 LEU A 20 14.738 26.857 -9.989 1.00 31.42 H new ATOM 0 HD13 LEU A 20 14.719 26.240 -11.658 1.00 31.42 H new ATOM 0 HD21 LEU A 20 14.785 29.014 -12.995 1.00 54.04 H new ATOM 0 HD22 LEU A 20 13.692 27.701 -13.496 1.00 54.04 H new ATOM 0 HD23 LEU A 20 13.027 29.291 -13.049 1.00 54.04 H new ATOM 308 N ILE A 21 10.423 29.150 -12.914 1.00 12.01 N ATOM 309 CA ILE A 21 10.206 30.097 -14.000 1.00 52.24 C ATOM 310 C ILE A 21 9.260 31.215 -13.575 1.00 34.33 C ATOM 311 O ILE A 21 9.487 32.386 -13.879 1.00 52.22 O ATOM 312 CB ILE A 21 9.631 29.401 -15.248 1.00 63.21 C ATOM 313 CG1 ILE A 21 10.699 28.525 -15.907 1.00 51.12 C ATOM 314 CG2 ILE A 21 9.102 30.432 -16.234 1.00 33.25 C ATOM 315 CD1 ILE A 21 10.158 27.225 -16.459 1.00 32.55 C ATOM 0 H ILE A 21 10.064 28.212 -13.094 1.00 12.01 H new ATOM 0 HA ILE A 21 11.179 30.522 -14.246 1.00 52.24 H new ATOM 0 HB ILE A 21 8.802 28.763 -14.941 1.00 63.21 H new ATOM 0 HG12 ILE A 21 11.169 29.086 -16.715 1.00 51.12 H new ATOM 0 HG13 ILE A 21 11.478 28.304 -15.177 1.00 51.12 H new ATOM 0 HG21 ILE A 21 8.699 29.924 -17.110 1.00 33.25 H new ATOM 0 HG22 ILE A 21 8.314 31.018 -15.760 1.00 33.25 H new ATOM 0 HG23 ILE A 21 9.913 31.093 -16.539 1.00 33.25 H new ATOM 0 HD11 ILE A 21 10.970 26.656 -16.911 1.00 32.55 H new ATOM 0 HD12 ILE A 21 9.713 26.644 -15.651 1.00 32.55 H new ATOM 0 HD13 ILE A 21 9.400 27.437 -17.213 1.00 32.55 H new ATOM 327 N THR A 22 8.197 30.845 -12.866 1.00 51.33 N ATOM 328 CA THR A 22 7.216 31.816 -12.397 1.00 70.24 C ATOM 329 C THR A 22 7.865 32.865 -11.501 1.00 71.54 C ATOM 330 O THR A 22 7.667 34.065 -11.690 1.00 74.42 O ATOM 331 CB THR A 22 6.074 31.131 -11.623 1.00 40.00 C ATOM 332 OG1 THR A 22 5.806 29.841 -12.184 1.00 51.34 O ATOM 333 CG2 THR A 22 4.811 31.978 -11.660 1.00 1.22 C ATOM 0 H THR A 22 7.994 29.880 -12.604 1.00 51.33 H new ATOM 0 HA THR A 22 6.805 32.303 -13.281 1.00 70.24 H new ATOM 0 HB THR A 22 6.386 31.017 -10.585 1.00 40.00 H new ATOM 0 HG1 THR A 22 6.465 29.196 -11.852 1.00 51.34 H new ATOM 0 HG21 THR A 22 4.019 31.474 -11.107 1.00 1.22 H new ATOM 0 HG22 THR A 22 5.010 32.948 -11.205 1.00 1.22 H new ATOM 0 HG23 THR A 22 4.498 32.120 -12.694 1.00 1.22 H new ATOM 341 N SER A 23 8.642 32.404 -10.526 1.00 15.01 N ATOM 342 CA SER A 23 9.318 33.303 -9.598 1.00 53.22 C ATOM 343 C SER A 23 10.115 34.363 -10.352 1.00 54.25 C ATOM 344 O SER A 23 10.061 35.549 -10.023 1.00 20.24 O ATOM 345 CB SER A 23 10.246 32.513 -8.674 1.00 32.21 C ATOM 346 OG SER A 23 11.603 32.851 -8.903 1.00 13.21 O ATOM 0 H SER A 23 8.819 31.414 -10.358 1.00 15.01 H new ATOM 0 HA SER A 23 8.558 33.803 -8.997 1.00 53.22 H new ATOM 0 HB2 SER A 23 9.988 32.716 -7.635 1.00 32.21 H new ATOM 0 HB3 SER A 23 10.102 31.445 -8.836 1.00 32.21 H new ATOM 0 HG SER A 23 12.175 32.334 -8.299 1.00 13.21 H new ATOM 352 N LEU A 24 10.854 33.928 -11.367 1.00 34.11 N ATOM 353 CA LEU A 24 11.663 34.838 -12.170 1.00 11.22 C ATOM 354 C LEU A 24 10.805 35.953 -12.759 1.00 43.25 C ATOM 355 O LEU A 24 11.149 37.131 -12.664 1.00 23.12 O ATOM 356 CB LEU A 24 12.366 34.072 -13.292 1.00 12.21 C ATOM 357 CG LEU A 24 13.873 34.298 -13.417 1.00 20.23 C ATOM 358 CD1 LEU A 24 14.608 32.968 -13.484 1.00 1.23 C ATOM 359 CD2 LEU A 24 14.186 35.145 -14.642 1.00 31.41 C ATOM 0 H LEU A 24 10.910 32.951 -11.653 1.00 34.11 H new ATOM 0 HA LEU A 24 12.414 35.287 -11.520 1.00 11.22 H new ATOM 0 HB2 LEU A 24 12.190 33.007 -13.143 1.00 12.21 H new ATOM 0 HB3 LEU A 24 11.898 34.343 -14.238 1.00 12.21 H new ATOM 0 HG LEU A 24 14.215 34.835 -12.532 1.00 20.23 H new ATOM 0 HD11 LEU A 24 15.679 33.148 -13.573 1.00 1.23 H new ATOM 0 HD12 LEU A 24 14.410 32.397 -12.577 1.00 1.23 H new ATOM 0 HD13 LEU A 24 14.262 32.404 -14.350 1.00 1.23 H new ATOM 0 HD21 LEU A 24 15.263 35.295 -14.715 1.00 31.41 H new ATOM 0 HD22 LEU A 24 13.829 34.636 -15.537 1.00 31.41 H new ATOM 0 HD23 LEU A 24 13.690 36.111 -14.553 1.00 31.41 H new ATOM 371 N ALA A 25 9.686 35.573 -13.367 1.00 42.44 N ATOM 372 CA ALA A 25 8.777 36.541 -13.969 1.00 1.23 C ATOM 373 C ALA A 25 8.199 37.479 -12.915 1.00 15.22 C ATOM 374 O ALA A 25 7.834 38.616 -13.216 1.00 14.23 O ATOM 375 CB ALA A 25 7.659 35.825 -14.711 1.00 70.41 C ATOM 0 H ALA A 25 9.387 34.602 -13.456 1.00 42.44 H new ATOM 0 HA ALA A 25 9.344 37.141 -14.681 1.00 1.23 H new ATOM 0 HB1 ALA A 25 6.988 36.560 -15.155 1.00 70.41 H new ATOM 0 HB2 ALA A 25 8.085 35.201 -15.497 1.00 70.41 H new ATOM 0 HB3 ALA A 25 7.101 35.200 -14.014 1.00 70.41 H new ATOM 381 N ILE A 26 8.117 36.996 -11.680 1.00 20.22 N ATOM 382 CA ILE A 26 7.583 37.792 -10.582 1.00 10.00 C ATOM 383 C ILE A 26 8.621 38.782 -10.065 1.00 42.11 C ATOM 384 O ILE A 26 8.323 39.959 -9.857 1.00 3.00 O ATOM 385 CB ILE A 26 7.115 36.901 -9.416 1.00 53.12 C ATOM 386 CG1 ILE A 26 5.986 35.975 -9.875 1.00 0.34 C ATOM 387 CG2 ILE A 26 6.661 37.758 -8.244 1.00 10.11 C ATOM 388 CD1 ILE A 26 5.836 34.736 -9.020 1.00 44.12 C ATOM 0 H ILE A 26 8.414 36.057 -11.415 1.00 20.22 H new ATOM 0 HA ILE A 26 6.727 38.339 -10.977 1.00 10.00 H new ATOM 0 HB ILE A 26 7.953 36.286 -9.088 1.00 53.12 H new ATOM 0 HG12 ILE A 26 5.047 36.528 -9.867 1.00 0.34 H new ATOM 0 HG13 ILE A 26 6.170 35.675 -10.907 1.00 0.34 H new ATOM 0 HG21 ILE A 26 6.333 37.114 -7.428 1.00 10.11 H new ATOM 0 HG22 ILE A 26 7.490 38.380 -7.905 1.00 10.11 H new ATOM 0 HG23 ILE A 26 5.834 38.395 -8.558 1.00 10.11 H new ATOM 0 HD11 ILE A 26 5.018 34.126 -9.403 1.00 44.12 H new ATOM 0 HD12 ILE A 26 6.761 34.160 -9.048 1.00 44.12 H new ATOM 0 HD13 ILE A 26 5.621 35.027 -7.992 1.00 44.12 H new ATOM 400 N LEU A 27 9.842 38.299 -9.861 1.00 74.54 N ATOM 401 CA LEU A 27 10.926 39.141 -9.370 1.00 44.35 C ATOM 402 C LEU A 27 11.196 40.296 -10.330 1.00 71.00 C ATOM 403 O LEU A 27 11.420 41.430 -9.906 1.00 61.12 O ATOM 404 CB LEU A 27 12.198 38.312 -9.183 1.00 30.13 C ATOM 405 CG LEU A 27 12.582 37.989 -7.738 1.00 52.42 C ATOM 406 CD1 LEU A 27 13.152 36.583 -7.639 1.00 0.14 C ATOM 407 CD2 LEU A 27 13.580 39.010 -7.211 1.00 13.11 C ATOM 0 H LEU A 27 10.106 37.328 -10.028 1.00 74.54 H new ATOM 0 HA LEU A 27 10.624 39.555 -8.408 1.00 44.35 H new ATOM 0 HB2 LEU A 27 12.079 37.374 -9.725 1.00 30.13 H new ATOM 0 HB3 LEU A 27 13.027 38.846 -9.648 1.00 30.13 H new ATOM 0 HG LEU A 27 11.683 38.038 -7.123 1.00 52.42 H new ATOM 0 HD11 LEU A 27 13.420 36.371 -6.604 1.00 0.14 H new ATOM 0 HD12 LEU A 27 12.406 35.863 -7.976 1.00 0.14 H new ATOM 0 HD13 LEU A 27 14.040 36.505 -8.266 1.00 0.14 H new ATOM 0 HD21 LEU A 27 13.842 38.765 -6.182 1.00 13.11 H new ATOM 0 HD22 LEU A 27 14.478 38.993 -7.828 1.00 13.11 H new ATOM 0 HD23 LEU A 27 13.135 40.005 -7.245 1.00 13.11 H new ATOM 419 N VAL A 28 11.170 40.000 -11.626 1.00 2.32 N ATOM 420 CA VAL A 28 11.408 41.014 -12.646 1.00 43.12 C ATOM 421 C VAL A 28 10.314 42.075 -12.632 1.00 52.34 C ATOM 422 O VAL A 28 10.587 43.267 -12.778 1.00 65.23 O ATOM 423 CB VAL A 28 11.484 40.389 -14.052 1.00 22.23 C ATOM 424 CG1 VAL A 28 11.424 41.469 -15.121 1.00 4.01 C ATOM 425 CG2 VAL A 28 12.748 39.554 -14.196 1.00 11.25 C ATOM 0 H VAL A 28 10.987 39.066 -11.994 1.00 2.32 H new ATOM 0 HA VAL A 28 12.365 41.480 -12.411 1.00 43.12 H new ATOM 0 HB VAL A 28 10.625 39.732 -14.185 1.00 22.23 H new ATOM 0 HG11 VAL A 28 11.479 41.008 -16.107 1.00 4.01 H new ATOM 0 HG12 VAL A 28 10.488 42.020 -15.030 1.00 4.01 H new ATOM 0 HG13 VAL A 28 12.262 42.154 -14.993 1.00 4.01 H new ATOM 0 HG21 VAL A 28 12.785 39.120 -15.195 1.00 11.25 H new ATOM 0 HG22 VAL A 28 13.622 40.187 -14.042 1.00 11.25 H new ATOM 0 HG23 VAL A 28 12.743 38.756 -13.454 1.00 11.25 H new ATOM 435 N PHE A 29 9.073 41.635 -12.456 1.00 35.14 N ATOM 436 CA PHE A 29 7.935 42.547 -12.423 1.00 61.10 C ATOM 437 C PHE A 29 8.086 43.565 -11.296 1.00 63.23 C ATOM 438 O PHE A 29 7.690 44.722 -11.433 1.00 51.45 O ATOM 439 CB PHE A 29 6.632 41.765 -12.247 1.00 71.44 C ATOM 440 CG PHE A 29 5.533 42.218 -13.165 1.00 74.52 C ATOM 441 CD1 PHE A 29 4.979 43.481 -13.034 1.00 32.23 C ATOM 442 CD2 PHE A 29 5.053 41.380 -14.160 1.00 4.33 C ATOM 443 CE1 PHE A 29 3.967 43.900 -13.876 1.00 74.44 C ATOM 444 CE2 PHE A 29 4.042 41.794 -15.006 1.00 35.23 C ATOM 445 CZ PHE A 29 3.498 43.056 -14.864 1.00 62.44 C ATOM 0 H PHE A 29 8.829 40.652 -12.334 1.00 35.14 H new ATOM 0 HA PHE A 29 7.904 43.083 -13.372 1.00 61.10 H new ATOM 0 HB2 PHE A 29 6.826 40.707 -12.420 1.00 71.44 H new ATOM 0 HB3 PHE A 29 6.296 41.862 -11.215 1.00 71.44 H new ATOM 0 HD1 PHE A 29 5.343 44.146 -12.265 1.00 32.23 H new ATOM 0 HD2 PHE A 29 5.474 40.392 -14.275 1.00 4.33 H new ATOM 0 HE1 PHE A 29 3.543 44.887 -13.762 1.00 74.44 H new ATOM 0 HE2 PHE A 29 3.677 41.132 -15.777 1.00 35.23 H new ATOM 0 HZ PHE A 29 2.708 43.382 -15.524 1.00 62.44 H new ATOM 455 N TYR A 30 8.661 43.125 -10.183 1.00 25.51 N ATOM 456 CA TYR A 30 8.863 43.995 -9.031 1.00 14.13 C ATOM 457 C TYR A 30 10.116 44.847 -9.204 1.00 41.41 C ATOM 458 O TYR A 30 10.221 45.940 -8.645 1.00 53.01 O ATOM 459 CB TYR A 30 8.970 43.165 -7.750 1.00 52.14 C ATOM 460 CG TYR A 30 7.655 43.002 -7.023 1.00 35.13 C ATOM 461 CD1 TYR A 30 6.765 41.994 -7.373 1.00 72.31 C ATOM 462 CD2 TYR A 30 7.301 43.856 -5.986 1.00 11.14 C ATOM 463 CE1 TYR A 30 5.562 41.841 -6.712 1.00 14.14 C ATOM 464 CE2 TYR A 30 6.101 43.710 -5.318 1.00 13.04 C ATOM 465 CZ TYR A 30 5.234 42.701 -5.684 1.00 44.33 C ATOM 466 OH TYR A 30 4.037 42.553 -5.022 1.00 41.43 O ATOM 0 H TYR A 30 8.996 42.170 -10.054 1.00 25.51 H new ATOM 0 HA TYR A 30 8.002 44.659 -8.955 1.00 14.13 H new ATOM 0 HB2 TYR A 30 9.363 42.179 -7.998 1.00 52.14 H new ATOM 0 HB3 TYR A 30 9.690 43.636 -7.081 1.00 52.14 H new ATOM 0 HD1 TYR A 30 7.018 41.318 -8.176 1.00 72.31 H new ATOM 0 HD2 TYR A 30 7.976 44.648 -5.697 1.00 11.14 H new ATOM 0 HE1 TYR A 30 4.882 41.053 -6.998 1.00 14.14 H new ATOM 0 HE2 TYR A 30 5.843 44.382 -4.513 1.00 13.04 H new ATOM 0 HH TYR A 30 3.961 43.238 -4.326 1.00 41.43 H new ATOM 476 N LEU A 31 11.065 44.340 -9.983 1.00 40.21 N ATOM 477 CA LEU A 31 12.313 45.054 -10.232 1.00 73.25 C ATOM 478 C LEU A 31 12.663 45.036 -11.717 1.00 21.41 C ATOM 479 O LEU A 31 13.601 44.366 -12.150 1.00 73.44 O ATOM 480 CB LEU A 31 13.450 44.432 -9.421 1.00 21.44 C ATOM 481 CG LEU A 31 13.513 44.823 -7.944 1.00 0.21 C ATOM 482 CD1 LEU A 31 12.504 44.022 -7.136 1.00 24.13 C ATOM 483 CD2 LEU A 31 14.919 44.620 -7.398 1.00 12.32 C ATOM 0 H LEU A 31 10.994 43.438 -10.453 1.00 40.21 H new ATOM 0 HA LEU A 31 12.179 46.090 -9.921 1.00 73.25 H new ATOM 0 HB2 LEU A 31 13.364 43.347 -9.486 1.00 21.44 H new ATOM 0 HB3 LEU A 31 14.395 44.706 -9.889 1.00 21.44 H new ATOM 0 HG LEU A 31 13.260 45.880 -7.857 1.00 0.21 H new ATOM 0 HD11 LEU A 31 12.564 44.314 -6.088 1.00 24.13 H new ATOM 0 HD12 LEU A 31 11.500 44.218 -7.511 1.00 24.13 H new ATOM 0 HD13 LEU A 31 12.725 42.959 -7.230 1.00 24.13 H new ATOM 0 HD21 LEU A 31 14.945 44.903 -6.346 1.00 12.32 H new ATOM 0 HD22 LEU A 31 15.201 43.572 -7.499 1.00 12.32 H new ATOM 0 HD23 LEU A 31 15.620 45.239 -7.958 1.00 12.32 H new ATOM 495 N PRO A 32 11.894 45.790 -12.516 1.00 5.51 N ATOM 496 CA PRO A 32 12.106 45.880 -13.964 1.00 3.33 C ATOM 497 C PRO A 32 13.384 46.634 -14.317 1.00 31.01 C ATOM 498 O PRO A 32 14.068 47.161 -13.440 1.00 14.44 O ATOM 499 CB PRO A 32 10.878 46.651 -14.455 1.00 30.53 C ATOM 500 CG PRO A 32 10.435 47.447 -13.277 1.00 14.53 C ATOM 501 CD PRO A 32 10.760 46.615 -12.067 1.00 73.15 C ATOM 0 HA PRO A 32 12.220 44.897 -14.421 1.00 3.33 H new ATOM 0 HB2 PRO A 32 11.126 47.296 -15.298 1.00 30.53 H new ATOM 0 HB3 PRO A 32 10.094 45.973 -14.792 1.00 30.53 H new ATOM 0 HG2 PRO A 32 10.949 48.407 -13.240 1.00 14.53 H new ATOM 0 HG3 PRO A 32 9.367 47.659 -13.329 1.00 14.53 H new ATOM 0 HD2 PRO A 32 11.028 47.236 -11.212 1.00 73.15 H new ATOM 0 HD3 PRO A 32 9.912 46.001 -11.762 1.00 73.15 H new ATOM 509 N SER A 33 13.700 46.681 -15.607 1.00 42.11 N ATOM 510 CA SER A 33 14.898 47.368 -16.076 1.00 23.32 C ATOM 511 C SER A 33 14.635 48.077 -17.400 1.00 55.44 C ATOM 512 O SER A 33 13.633 47.818 -18.068 1.00 23.51 O ATOM 513 CB SER A 33 16.051 46.375 -16.237 1.00 32.41 C ATOM 514 OG SER A 33 16.402 46.217 -17.601 1.00 13.51 O ATOM 0 H SER A 33 13.143 46.252 -16.346 1.00 42.11 H new ATOM 0 HA SER A 33 15.172 48.116 -15.332 1.00 23.32 H new ATOM 0 HB2 SER A 33 16.917 46.724 -15.674 1.00 32.41 H new ATOM 0 HB3 SER A 33 15.765 45.410 -15.818 1.00 32.41 H new ATOM 0 HG SER A 33 17.377 46.245 -17.693 1.00 13.51 H new ATOM 520 N ASP A 34 15.540 48.975 -17.774 1.00 21.41 N ATOM 521 CA ASP A 34 15.407 49.722 -19.019 1.00 44.20 C ATOM 522 C ASP A 34 15.897 48.896 -20.204 1.00 25.31 C ATOM 523 O ASP A 34 15.650 49.242 -21.360 1.00 4.43 O ATOM 524 CB ASP A 34 16.190 51.034 -18.937 1.00 64.53 C ATOM 525 CG ASP A 34 15.426 52.120 -18.206 1.00 70.33 C ATOM 526 OD1 ASP A 34 14.574 52.777 -18.841 1.00 64.55 O ATOM 527 OD2 ASP A 34 15.679 52.312 -16.999 1.00 14.32 O ATOM 0 H ASP A 34 16.374 49.203 -17.232 1.00 21.41 H new ATOM 0 HA ASP A 34 14.351 49.946 -19.168 1.00 44.20 H new ATOM 0 HB2 ASP A 34 17.138 50.857 -18.430 1.00 64.53 H new ATOM 0 HB3 ASP A 34 16.427 51.376 -19.945 1.00 64.53 H new ATOM 532 N CYS A 35 16.593 47.803 -19.909 1.00 42.31 N ATOM 533 CA CYS A 35 17.120 46.928 -20.950 1.00 40.24 C ATOM 534 C CYS A 35 16.030 46.009 -21.491 1.00 54.13 C ATOM 535 O CYS A 35 16.243 45.276 -22.456 1.00 3.11 O ATOM 536 CB CYS A 35 18.282 46.096 -20.406 1.00 70.23 C ATOM 537 SG CYS A 35 19.620 45.831 -21.594 1.00 34.33 S ATOM 0 H CYS A 35 16.805 47.502 -18.958 1.00 42.31 H new ATOM 0 HA CYS A 35 17.481 47.553 -21.767 1.00 40.24 H new ATOM 0 HB2 CYS A 35 18.687 46.591 -19.523 1.00 70.23 H new ATOM 0 HB3 CYS A 35 17.901 45.127 -20.082 1.00 70.23 H new ATOM 0 HG CYS A 35 20.557 45.119 -21.041 1.00 34.33 H new ATOM 543 N GLY A 36 14.859 46.053 -20.861 1.00 64.13 N ATOM 544 CA GLY A 36 13.753 45.218 -21.292 1.00 43.23 C ATOM 545 C GLY A 36 13.928 43.768 -20.886 1.00 1.53 C ATOM 546 O GLY A 36 13.645 42.860 -21.666 1.00 43.44 O ATOM 0 H GLY A 36 14.657 46.652 -20.060 1.00 64.13 H new ATOM 0 HA2 GLY A 36 12.825 45.601 -20.867 1.00 43.23 H new ATOM 0 HA3 GLY A 36 13.656 45.279 -22.376 1.00 43.23 H new ATOM 550 N GLU A 37 14.397 43.551 -19.661 1.00 2.30 N ATOM 551 CA GLU A 37 14.612 42.201 -19.154 1.00 74.12 C ATOM 552 C GLU A 37 13.301 41.420 -19.116 1.00 64.44 C ATOM 553 O GLU A 37 13.286 40.201 -19.291 1.00 63.14 O ATOM 554 CB GLU A 37 15.230 42.249 -17.755 1.00 53.43 C ATOM 555 CG GLU A 37 16.659 41.736 -17.703 1.00 73.41 C ATOM 556 CD GLU A 37 17.015 41.138 -16.356 1.00 31.21 C ATOM 557 OE1 GLU A 37 16.577 40.002 -16.077 1.00 62.34 O ATOM 558 OE2 GLU A 37 17.731 41.805 -15.580 1.00 54.34 O ATOM 0 H GLU A 37 14.635 44.292 -19.002 1.00 2.30 H new ATOM 0 HA GLU A 37 15.300 41.692 -19.829 1.00 74.12 H new ATOM 0 HB2 GLU A 37 15.208 43.277 -17.393 1.00 53.43 H new ATOM 0 HB3 GLU A 37 14.616 41.658 -17.075 1.00 53.43 H new ATOM 0 HG2 GLU A 37 16.799 40.984 -18.479 1.00 73.41 H new ATOM 0 HG3 GLU A 37 17.343 42.555 -17.925 1.00 73.41 H new ATOM 565 N LYS A 38 12.202 42.130 -18.886 1.00 23.20 N ATOM 566 CA LYS A 38 10.886 41.506 -18.825 1.00 60.44 C ATOM 567 C LYS A 38 10.457 41.005 -20.201 1.00 44.00 C ATOM 568 O LYS A 38 9.779 39.985 -20.317 1.00 14.13 O ATOM 569 CB LYS A 38 9.853 42.498 -18.287 1.00 74.12 C ATOM 570 CG LYS A 38 8.451 41.921 -18.185 1.00 43.01 C ATOM 571 CD LYS A 38 8.327 40.962 -17.013 1.00 61.11 C ATOM 572 CE LYS A 38 7.081 40.097 -17.130 1.00 42.31 C ATOM 573 NZ LYS A 38 7.409 38.645 -17.094 1.00 75.04 N ATOM 0 H LYS A 38 12.197 43.139 -18.739 1.00 23.20 H new ATOM 0 HA LYS A 38 10.947 40.653 -18.150 1.00 60.44 H new ATOM 0 HB2 LYS A 38 10.169 42.840 -17.301 1.00 74.12 H new ATOM 0 HB3 LYS A 38 9.830 43.374 -18.936 1.00 74.12 H new ATOM 0 HG2 LYS A 38 7.731 42.731 -18.071 1.00 43.01 H new ATOM 0 HG3 LYS A 38 8.202 41.401 -19.110 1.00 43.01 H new ATOM 0 HD2 LYS A 38 9.210 40.325 -16.968 1.00 61.11 H new ATOM 0 HD3 LYS A 38 8.293 41.527 -16.081 1.00 61.11 H new ATOM 0 HE2 LYS A 38 6.396 40.335 -16.316 1.00 42.31 H new ATOM 0 HE3 LYS A 38 6.563 40.330 -18.061 1.00 42.31 H new ATOM 0 HZ1 LYS A 38 6.534 38.089 -17.176 1.00 75.04 H new ATOM 0 HZ2 LYS A 38 8.043 38.412 -17.885 1.00 75.04 H new ATOM 0 HZ3 LYS A 38 7.880 38.418 -16.195 1.00 75.04 H new ATOM 587 N MET A 39 10.859 41.729 -21.241 1.00 24.33 N ATOM 588 CA MET A 39 10.519 41.355 -22.609 1.00 15.44 C ATOM 589 C MET A 39 11.137 40.010 -22.975 1.00 73.11 C ATOM 590 O MET A 39 10.430 39.066 -23.330 1.00 30.34 O ATOM 591 CB MET A 39 10.993 42.431 -23.587 1.00 4.50 C ATOM 592 CG MET A 39 9.865 43.079 -24.373 1.00 12.13 C ATOM 593 SD MET A 39 10.462 44.087 -25.743 1.00 70.04 S ATOM 594 CE MET A 39 10.492 42.878 -27.065 1.00 20.04 C ATOM 0 H MET A 39 11.420 42.577 -21.162 1.00 24.33 H new ATOM 0 HA MET A 39 9.435 41.266 -22.676 1.00 15.44 H new ATOM 0 HB2 MET A 39 11.529 43.202 -23.034 1.00 4.50 H new ATOM 0 HB3 MET A 39 11.703 41.988 -24.285 1.00 4.50 H new ATOM 0 HG2 MET A 39 9.204 42.303 -24.759 1.00 12.13 H new ATOM 0 HG3 MET A 39 9.270 43.700 -23.703 1.00 12.13 H new ATOM 0 HE1 MET A 39 10.841 43.351 -27.983 1.00 20.04 H new ATOM 0 HE2 MET A 39 11.165 42.063 -26.798 1.00 20.04 H new ATOM 0 HE3 MET A 39 9.488 42.483 -27.220 1.00 20.04 H new ATOM 604 N THR A 40 12.461 39.928 -22.888 1.00 11.51 N ATOM 605 CA THR A 40 13.174 38.699 -23.212 1.00 10.43 C ATOM 606 C THR A 40 12.679 37.536 -22.360 1.00 61.11 C ATOM 607 O THR A 40 12.754 36.377 -22.770 1.00 65.11 O ATOM 608 CB THR A 40 14.692 38.860 -23.008 1.00 3.51 C ATOM 609 OG1 THR A 40 15.355 37.617 -23.261 1.00 63.24 O ATOM 610 CG2 THR A 40 15.002 39.327 -21.594 1.00 10.05 C ATOM 0 H THR A 40 13.061 40.699 -22.596 1.00 11.51 H new ATOM 0 HA THR A 40 12.977 38.486 -24.263 1.00 10.43 H new ATOM 0 HB THR A 40 15.052 39.613 -23.709 1.00 3.51 H new ATOM 0 HG1 THR A 40 16.320 37.728 -23.131 1.00 63.24 H new ATOM 0 HG21 THR A 40 16.080 39.433 -21.474 1.00 10.05 H new ATOM 0 HG22 THR A 40 14.520 40.288 -21.414 1.00 10.05 H new ATOM 0 HG23 THR A 40 14.628 38.595 -20.879 1.00 10.05 H new ATOM 618 N LEU A 41 12.172 37.851 -21.173 1.00 42.34 N ATOM 619 CA LEU A 41 11.663 36.831 -20.263 1.00 43.12 C ATOM 620 C LEU A 41 10.392 36.194 -20.815 1.00 64.34 C ATOM 621 O LEU A 41 10.275 34.969 -20.874 1.00 43.14 O ATOM 622 CB LEU A 41 11.386 37.440 -18.887 1.00 61.54 C ATOM 623 CG LEU A 41 11.687 36.545 -17.685 1.00 24.44 C ATOM 624 CD1 LEU A 41 10.871 35.263 -17.755 1.00 45.21 C ATOM 625 CD2 LEU A 41 13.174 36.229 -17.614 1.00 4.11 C ATOM 0 H LEU A 41 12.102 38.805 -20.818 1.00 42.34 H new ATOM 0 HA LEU A 41 12.422 36.055 -20.164 1.00 43.12 H new ATOM 0 HB2 LEU A 41 11.973 38.353 -18.791 1.00 61.54 H new ATOM 0 HB3 LEU A 41 10.336 37.730 -18.845 1.00 61.54 H new ATOM 0 HG LEU A 41 11.406 37.081 -16.779 1.00 24.44 H new ATOM 0 HD11 LEU A 41 11.099 34.639 -16.891 1.00 45.21 H new ATOM 0 HD12 LEU A 41 9.809 35.507 -17.756 1.00 45.21 H new ATOM 0 HD13 LEU A 41 11.120 34.723 -18.668 1.00 45.21 H new ATOM 0 HD21 LEU A 41 13.370 35.591 -16.752 1.00 4.11 H new ATOM 0 HD22 LEU A 41 13.480 35.713 -18.524 1.00 4.11 H new ATOM 0 HD23 LEU A 41 13.739 37.156 -17.515 1.00 4.11 H new ATOM 637 N CYS A 42 9.445 37.032 -21.220 1.00 75.44 N ATOM 638 CA CYS A 42 8.182 36.550 -21.770 1.00 21.01 C ATOM 639 C CYS A 42 8.425 35.562 -22.906 1.00 43.34 C ATOM 640 O CYS A 42 7.765 34.527 -22.994 1.00 32.33 O ATOM 641 CB CYS A 42 7.339 37.724 -22.270 1.00 33.22 C ATOM 642 SG CYS A 42 5.992 37.246 -23.378 1.00 2.20 S ATOM 0 H CYS A 42 9.527 38.048 -21.178 1.00 75.44 H new ATOM 0 HA CYS A 42 7.641 36.036 -20.976 1.00 21.01 H new ATOM 0 HB2 CYS A 42 6.920 38.248 -21.411 1.00 33.22 H new ATOM 0 HB3 CYS A 42 7.989 38.429 -22.788 1.00 33.22 H new ATOM 0 HG CYS A 42 5.336 38.306 -23.746 1.00 2.20 H new ATOM 648 N ILE A 43 9.375 35.891 -23.775 1.00 64.43 N ATOM 649 CA ILE A 43 9.705 35.033 -24.907 1.00 32.44 C ATOM 650 C ILE A 43 10.269 33.696 -24.437 1.00 30.01 C ATOM 651 O ILE A 43 9.989 32.651 -25.025 1.00 13.34 O ATOM 652 CB ILE A 43 10.723 35.705 -25.846 1.00 4.44 C ATOM 653 CG1 ILE A 43 10.050 36.820 -26.649 1.00 4.31 C ATOM 654 CG2 ILE A 43 11.346 34.676 -26.777 1.00 31.12 C ATOM 655 CD1 ILE A 43 11.022 37.662 -27.446 1.00 61.44 C ATOM 0 H ILE A 43 9.930 36.745 -23.717 1.00 64.43 H new ATOM 0 HA ILE A 43 8.778 34.862 -25.454 1.00 32.44 H new ATOM 0 HB ILE A 43 11.516 36.146 -25.242 1.00 4.44 H new ATOM 0 HG12 ILE A 43 9.322 36.378 -27.329 1.00 4.31 H new ATOM 0 HG13 ILE A 43 9.497 37.466 -25.966 1.00 4.31 H new ATOM 0 HG21 ILE A 43 12.063 35.167 -27.434 1.00 31.12 H new ATOM 0 HG22 ILE A 43 11.856 33.914 -26.188 1.00 31.12 H new ATOM 0 HG23 ILE A 43 10.565 34.208 -27.377 1.00 31.12 H new ATOM 0 HD11 ILE A 43 10.475 38.432 -27.990 1.00 61.44 H new ATOM 0 HD12 ILE A 43 11.735 38.133 -26.769 1.00 61.44 H new ATOM 0 HD13 ILE A 43 11.557 37.029 -28.154 1.00 61.44 H new ATOM 667 N SER A 44 11.064 33.737 -23.373 1.00 23.33 N ATOM 668 CA SER A 44 11.670 32.529 -22.824 1.00 71.14 C ATOM 669 C SER A 44 10.618 31.649 -22.156 1.00 71.23 C ATOM 670 O SER A 44 10.540 30.448 -22.416 1.00 40.04 O ATOM 671 CB SER A 44 12.762 32.893 -21.816 1.00 73.23 C ATOM 672 OG SER A 44 13.965 33.248 -22.474 1.00 65.22 O ATOM 0 H SER A 44 11.304 34.593 -22.874 1.00 23.33 H new ATOM 0 HA SER A 44 12.117 31.970 -23.646 1.00 71.14 H new ATOM 0 HB2 SER A 44 12.425 33.723 -21.194 1.00 73.23 H new ATOM 0 HB3 SER A 44 12.943 32.049 -21.151 1.00 73.23 H new ATOM 0 HG SER A 44 14.646 33.478 -21.808 1.00 65.22 H new ATOM 678 N VAL A 45 9.809 32.256 -21.293 1.00 24.40 N ATOM 679 CA VAL A 45 8.761 31.529 -20.587 1.00 54.04 C ATOM 680 C VAL A 45 7.884 30.747 -21.559 1.00 65.14 C ATOM 681 O VAL A 45 7.495 29.611 -21.285 1.00 60.14 O ATOM 682 CB VAL A 45 7.872 32.482 -19.766 1.00 44.51 C ATOM 683 CG1 VAL A 45 6.507 31.860 -19.518 1.00 71.04 C ATOM 684 CG2 VAL A 45 8.550 32.842 -18.452 1.00 71.13 C ATOM 0 H VAL A 45 9.860 33.249 -21.066 1.00 24.40 H new ATOM 0 HA VAL A 45 9.259 30.834 -19.911 1.00 54.04 H new ATOM 0 HB VAL A 45 7.727 33.399 -20.338 1.00 44.51 H new ATOM 0 HG11 VAL A 45 5.894 32.548 -18.937 1.00 71.04 H new ATOM 0 HG12 VAL A 45 6.020 31.658 -20.472 1.00 71.04 H new ATOM 0 HG13 VAL A 45 6.627 30.927 -18.967 1.00 71.04 H new ATOM 0 HG21 VAL A 45 7.908 33.516 -17.884 1.00 71.13 H new ATOM 0 HG22 VAL A 45 8.726 31.935 -17.873 1.00 71.13 H new ATOM 0 HG23 VAL A 45 9.502 33.333 -18.656 1.00 71.13 H new ATOM 694 N LEU A 46 7.578 31.361 -22.696 1.00 52.45 N ATOM 695 CA LEU A 46 6.747 30.723 -23.712 1.00 23.45 C ATOM 696 C LEU A 46 7.438 29.488 -24.282 1.00 52.24 C ATOM 697 O LEU A 46 6.823 28.430 -24.425 1.00 44.25 O ATOM 698 CB LEU A 46 6.432 31.710 -24.836 1.00 52.32 C ATOM 699 CG LEU A 46 4.959 31.835 -25.226 1.00 74.14 C ATOM 700 CD1 LEU A 46 4.658 33.236 -25.736 1.00 11.04 C ATOM 701 CD2 LEU A 46 4.595 30.795 -26.276 1.00 21.31 C ATOM 0 H LEU A 46 7.893 32.300 -22.938 1.00 52.45 H new ATOM 0 HA LEU A 46 5.815 30.411 -23.241 1.00 23.45 H new ATOM 0 HB2 LEU A 46 6.794 32.695 -24.540 1.00 52.32 H new ATOM 0 HB3 LEU A 46 6.998 31.416 -25.720 1.00 52.32 H new ATOM 0 HG LEU A 46 4.352 31.655 -24.338 1.00 74.14 H new ATOM 0 HD11 LEU A 46 3.605 33.306 -26.009 1.00 11.04 H new ATOM 0 HD12 LEU A 46 4.879 33.963 -24.955 1.00 11.04 H new ATOM 0 HD13 LEU A 46 5.274 33.445 -26.611 1.00 11.04 H new ATOM 0 HD21 LEU A 46 3.543 30.899 -26.542 1.00 21.31 H new ATOM 0 HD22 LEU A 46 5.210 30.944 -27.164 1.00 21.31 H new ATOM 0 HD23 LEU A 46 4.771 29.797 -25.876 1.00 21.31 H new ATOM 713 N LEU A 47 8.719 29.629 -24.605 1.00 13.41 N ATOM 714 CA LEU A 47 9.495 28.525 -25.158 1.00 73.12 C ATOM 715 C LEU A 47 9.571 27.365 -24.171 1.00 23.23 C ATOM 716 O LEU A 47 9.339 26.212 -24.533 1.00 54.11 O ATOM 717 CB LEU A 47 10.904 28.996 -25.519 1.00 5.51 C ATOM 718 CG LEU A 47 11.712 28.066 -26.425 1.00 1.32 C ATOM 719 CD1 LEU A 47 12.454 28.865 -27.485 1.00 52.50 C ATOM 720 CD2 LEU A 47 12.686 27.235 -25.603 1.00 30.42 C ATOM 0 H LEU A 47 9.242 30.497 -24.493 1.00 13.41 H new ATOM 0 HA LEU A 47 8.993 28.177 -26.061 1.00 73.12 H new ATOM 0 HB2 LEU A 47 10.827 29.968 -26.006 1.00 5.51 H new ATOM 0 HB3 LEU A 47 11.463 29.146 -24.595 1.00 5.51 H new ATOM 0 HG LEU A 47 11.021 27.389 -26.927 1.00 1.32 H new ATOM 0 HD11 LEU A 47 13.023 28.186 -28.120 1.00 52.50 H new ATOM 0 HD12 LEU A 47 11.737 29.416 -28.094 1.00 52.50 H new ATOM 0 HD13 LEU A 47 13.134 29.566 -27.002 1.00 52.50 H new ATOM 0 HD21 LEU A 47 13.253 26.579 -26.264 1.00 30.42 H new ATOM 0 HD22 LEU A 47 13.372 27.896 -25.073 1.00 30.42 H new ATOM 0 HD23 LEU A 47 12.133 26.633 -24.882 1.00 30.42 H new ATOM 732 N ALA A 48 9.897 27.679 -22.921 1.00 70.21 N ATOM 733 CA ALA A 48 10.000 26.663 -21.880 1.00 52.44 C ATOM 734 C ALA A 48 8.716 25.846 -21.783 1.00 24.44 C ATOM 735 O ALA A 48 8.756 24.619 -21.682 1.00 20.44 O ATOM 736 CB ALA A 48 10.319 27.311 -20.541 1.00 33.20 C ATOM 0 H ALA A 48 10.094 28.628 -22.605 1.00 70.21 H new ATOM 0 HA ALA A 48 10.812 25.985 -22.145 1.00 52.44 H new ATOM 0 HB1 ALA A 48 10.393 26.541 -19.773 1.00 33.20 H new ATOM 0 HB2 ALA A 48 11.266 27.845 -20.612 1.00 33.20 H new ATOM 0 HB3 ALA A 48 9.526 28.011 -20.278 1.00 33.20 H new ATOM 742 N LEU A 49 7.579 26.532 -21.812 1.00 45.04 N ATOM 743 CA LEU A 49 6.283 25.869 -21.727 1.00 31.15 C ATOM 744 C LEU A 49 6.036 24.995 -22.952 1.00 53.54 C ATOM 745 O LEU A 49 5.512 23.886 -22.843 1.00 51.21 O ATOM 746 CB LEU A 49 5.166 26.905 -21.591 1.00 10.20 C ATOM 747 CG LEU A 49 4.408 26.905 -20.263 1.00 75.23 C ATOM 748 CD1 LEU A 49 3.775 25.545 -20.010 1.00 51.23 C ATOM 749 CD2 LEU A 49 5.336 27.285 -19.119 1.00 33.53 C ATOM 0 H LEU A 49 7.528 27.547 -21.894 1.00 45.04 H new ATOM 0 HA LEU A 49 6.287 25.230 -20.844 1.00 31.15 H new ATOM 0 HB2 LEU A 49 5.596 27.895 -21.741 1.00 10.20 H new ATOM 0 HB3 LEU A 49 4.449 26.744 -22.396 1.00 10.20 H new ATOM 0 HG LEU A 49 3.613 27.648 -20.320 1.00 75.23 H new ATOM 0 HD11 LEU A 49 3.240 25.564 -19.061 1.00 51.23 H new ATOM 0 HD12 LEU A 49 3.078 25.313 -20.815 1.00 51.23 H new ATOM 0 HD13 LEU A 49 4.553 24.783 -19.973 1.00 51.23 H new ATOM 0 HD21 LEU A 49 4.779 27.280 -18.182 1.00 33.53 H new ATOM 0 HD22 LEU A 49 6.153 26.566 -19.060 1.00 33.53 H new ATOM 0 HD23 LEU A 49 5.741 28.282 -19.295 1.00 33.53 H new ATOM 761 N THR A 50 6.418 25.502 -24.121 1.00 2.04 N ATOM 762 CA THR A 50 6.239 24.768 -25.367 1.00 43.41 C ATOM 763 C THR A 50 7.101 23.511 -25.393 1.00 74.15 C ATOM 764 O THR A 50 6.676 22.466 -25.886 1.00 61.33 O ATOM 765 CB THR A 50 6.588 25.641 -26.588 1.00 15.24 C ATOM 766 OG1 THR A 50 5.647 26.715 -26.707 1.00 22.54 O ATOM 767 CG2 THR A 50 6.584 24.813 -27.864 1.00 12.13 C ATOM 0 H THR A 50 6.853 26.418 -24.230 1.00 2.04 H new ATOM 0 HA THR A 50 5.188 24.486 -25.420 1.00 43.41 H new ATOM 0 HB THR A 50 7.588 26.049 -26.442 1.00 15.24 H new ATOM 0 HG1 THR A 50 5.859 27.410 -26.049 1.00 22.54 H new ATOM 0 HG21 THR A 50 6.833 25.451 -28.712 1.00 12.13 H new ATOM 0 HG22 THR A 50 7.321 24.014 -27.782 1.00 12.13 H new ATOM 0 HG23 THR A 50 5.595 24.380 -28.014 1.00 12.13 H new ATOM 775 N VAL A 51 8.313 23.618 -24.859 1.00 42.45 N ATOM 776 CA VAL A 51 9.234 22.489 -24.820 1.00 61.22 C ATOM 777 C VAL A 51 8.634 21.317 -24.051 1.00 5.45 C ATOM 778 O VAL A 51 8.563 20.198 -24.559 1.00 1.15 O ATOM 779 CB VAL A 51 10.576 22.881 -24.173 1.00 71.24 C ATOM 780 CG1 VAL A 51 11.440 21.649 -23.947 1.00 14.31 C ATOM 781 CG2 VAL A 51 11.304 23.902 -25.035 1.00 31.42 C ATOM 0 H VAL A 51 8.680 24.476 -24.447 1.00 42.45 H new ATOM 0 HA VAL A 51 9.412 22.189 -25.853 1.00 61.22 H new ATOM 0 HB VAL A 51 10.373 23.336 -23.203 1.00 71.24 H new ATOM 0 HG11 VAL A 51 12.384 21.945 -23.489 1.00 14.31 H new ATOM 0 HG12 VAL A 51 10.919 20.955 -23.287 1.00 14.31 H new ATOM 0 HG13 VAL A 51 11.637 21.163 -24.902 1.00 14.31 H new ATOM 0 HG21 VAL A 51 12.250 24.168 -24.563 1.00 31.42 H new ATOM 0 HG22 VAL A 51 11.497 23.476 -26.020 1.00 31.42 H new ATOM 0 HG23 VAL A 51 10.688 24.795 -25.140 1.00 31.42 H new ATOM 791 N PHE A 52 8.204 21.582 -22.822 1.00 14.53 N ATOM 792 CA PHE A 52 7.610 20.550 -21.980 1.00 72.14 C ATOM 793 C PHE A 52 6.288 20.064 -22.567 1.00 72.13 C ATOM 794 O PHE A 52 5.978 18.872 -22.527 1.00 10.41 O ATOM 795 CB PHE A 52 7.387 21.083 -20.563 1.00 74.45 C ATOM 796 CG PHE A 52 8.573 20.901 -19.661 1.00 22.22 C ATOM 797 CD1 PHE A 52 8.937 19.639 -19.219 1.00 3.22 C ATOM 798 CD2 PHE A 52 9.324 21.992 -19.254 1.00 23.21 C ATOM 799 CE1 PHE A 52 10.029 19.468 -18.388 1.00 40.34 C ATOM 800 CE2 PHE A 52 10.417 21.827 -18.424 1.00 42.01 C ATOM 801 CZ PHE A 52 10.769 20.564 -17.990 1.00 2.03 C ATOM 0 H PHE A 52 8.256 22.503 -22.387 1.00 14.53 H new ATOM 0 HA PHE A 52 8.301 19.708 -21.939 1.00 72.14 H new ATOM 0 HB2 PHE A 52 7.141 22.143 -20.617 1.00 74.45 H new ATOM 0 HB3 PHE A 52 6.526 20.578 -20.125 1.00 74.45 H new ATOM 0 HD1 PHE A 52 8.361 18.779 -19.527 1.00 3.22 H new ATOM 0 HD2 PHE A 52 9.052 22.982 -19.589 1.00 23.21 H new ATOM 0 HE1 PHE A 52 10.303 18.479 -18.051 1.00 40.34 H new ATOM 0 HE2 PHE A 52 10.995 22.685 -18.115 1.00 42.01 H new ATOM 0 HZ PHE A 52 11.622 20.434 -17.340 1.00 2.03 H new ATOM 811 N LEU A 53 5.512 20.994 -23.112 1.00 12.52 N ATOM 812 CA LEU A 53 4.222 20.663 -23.707 1.00 70.42 C ATOM 813 C LEU A 53 4.384 19.629 -24.817 1.00 44.24 C ATOM 814 O LEU A 53 3.552 18.735 -24.975 1.00 54.40 O ATOM 815 CB LEU A 53 3.555 21.923 -24.261 1.00 74.54 C ATOM 816 CG LEU A 53 2.092 21.777 -24.682 1.00 53.43 C ATOM 817 CD1 LEU A 53 1.360 23.103 -24.536 1.00 62.32 C ATOM 818 CD2 LEU A 53 1.996 21.269 -26.113 1.00 65.53 C ATOM 0 H LEU A 53 5.754 21.984 -23.154 1.00 12.52 H new ATOM 0 HA LEU A 53 3.589 20.237 -22.929 1.00 70.42 H new ATOM 0 HB2 LEU A 53 3.619 22.706 -23.505 1.00 74.54 H new ATOM 0 HB3 LEU A 53 4.128 22.265 -25.123 1.00 74.54 H new ATOM 0 HG LEU A 53 1.617 21.048 -24.026 1.00 53.43 H new ATOM 0 HD11 LEU A 53 0.320 22.980 -24.840 1.00 62.32 H new ATOM 0 HD12 LEU A 53 1.398 23.427 -23.496 1.00 62.32 H new ATOM 0 HD13 LEU A 53 1.836 23.853 -25.167 1.00 62.32 H new ATOM 0 HD21 LEU A 53 0.948 21.171 -26.395 1.00 65.53 H new ATOM 0 HD22 LEU A 53 2.488 21.974 -26.783 1.00 65.53 H new ATOM 0 HD23 LEU A 53 2.484 20.297 -26.188 1.00 65.53 H new ATOM 830 N LEU A 54 5.462 19.756 -25.583 1.00 64.12 N ATOM 831 CA LEU A 54 5.736 18.831 -26.678 1.00 2.50 C ATOM 832 C LEU A 54 6.125 17.456 -26.145 1.00 55.01 C ATOM 833 O LEU A 54 5.723 16.429 -26.694 1.00 53.34 O ATOM 834 CB LEU A 54 6.853 19.380 -27.568 1.00 12.21 C ATOM 835 CG LEU A 54 6.432 19.845 -28.963 1.00 4.25 C ATOM 836 CD1 LEU A 54 5.284 20.838 -28.871 1.00 30.05 C ATOM 837 CD2 LEU A 54 7.614 20.460 -29.698 1.00 51.33 C ATOM 0 H LEU A 54 6.161 20.490 -25.466 1.00 64.12 H new ATOM 0 HA LEU A 54 4.826 18.727 -27.269 1.00 2.50 H new ATOM 0 HB2 LEU A 54 7.321 20.219 -27.053 1.00 12.21 H new ATOM 0 HB3 LEU A 54 7.615 18.608 -27.679 1.00 12.21 H new ATOM 0 HG LEU A 54 6.090 18.977 -29.527 1.00 4.25 H new ATOM 0 HD11 LEU A 54 4.998 21.158 -29.873 1.00 30.05 H new ATOM 0 HD12 LEU A 54 4.431 20.364 -28.384 1.00 30.05 H new ATOM 0 HD13 LEU A 54 5.598 21.705 -28.290 1.00 30.05 H new ATOM 0 HD21 LEU A 54 7.297 20.785 -30.689 1.00 51.33 H new ATOM 0 HD22 LEU A 54 7.986 21.317 -29.136 1.00 51.33 H new ATOM 0 HD23 LEU A 54 8.407 19.719 -29.796 1.00 51.33 H new ATOM 849 N LEU A 55 6.906 17.443 -25.071 1.00 63.32 N ATOM 850 CA LEU A 55 7.348 16.193 -24.462 1.00 34.14 C ATOM 851 C LEU A 55 6.154 15.329 -24.066 1.00 24.10 C ATOM 852 O LEU A 55 5.988 14.216 -24.567 1.00 2.41 O ATOM 853 CB LEU A 55 8.214 16.479 -23.234 1.00 13.53 C ATOM 854 CG LEU A 55 9.632 15.908 -23.264 1.00 75.32 C ATOM 855 CD1 LEU A 55 10.595 16.830 -22.533 1.00 32.32 C ATOM 856 CD2 LEU A 55 9.658 14.514 -22.654 1.00 73.23 C ATOM 0 H LEU A 55 7.246 18.283 -24.604 1.00 63.32 H new ATOM 0 HA LEU A 55 7.940 15.648 -25.197 1.00 34.14 H new ATOM 0 HB2 LEU A 55 8.282 17.559 -23.106 1.00 13.53 H new ATOM 0 HB3 LEU A 55 7.704 16.085 -22.355 1.00 13.53 H new ATOM 0 HG LEU A 55 9.951 15.834 -24.304 1.00 75.32 H new ATOM 0 HD11 LEU A 55 11.599 16.407 -22.565 1.00 32.32 H new ATOM 0 HD12 LEU A 55 10.598 17.808 -23.014 1.00 32.32 H new ATOM 0 HD13 LEU A 55 10.279 16.937 -21.495 1.00 32.32 H new ATOM 0 HD21 LEU A 55 10.675 14.123 -22.684 1.00 73.23 H new ATOM 0 HD22 LEU A 55 9.318 14.563 -21.620 1.00 73.23 H new ATOM 0 HD23 LEU A 55 9.000 13.856 -23.221 1.00 73.23 H new ATOM 868 N ILE A 56 5.326 15.849 -23.167 1.00 2.24 N ATOM 869 CA ILE A 56 4.147 15.127 -22.707 1.00 73.40 C ATOM 870 C ILE A 56 3.266 14.709 -23.880 1.00 24.51 C ATOM 871 O ILE A 56 2.613 13.666 -23.838 1.00 52.32 O ATOM 872 CB ILE A 56 3.312 15.975 -21.730 1.00 52.30 C ATOM 873 CG1 ILE A 56 3.924 15.930 -20.329 1.00 23.43 C ATOM 874 CG2 ILE A 56 1.872 15.486 -21.701 1.00 34.23 C ATOM 875 CD1 ILE A 56 4.760 17.146 -19.994 1.00 74.44 C ATOM 0 H ILE A 56 5.450 16.768 -22.743 1.00 2.24 H new ATOM 0 HA ILE A 56 4.505 14.238 -22.188 1.00 73.40 H new ATOM 0 HB ILE A 56 3.317 17.009 -22.075 1.00 52.30 H new ATOM 0 HG12 ILE A 56 3.124 15.836 -19.595 1.00 23.43 H new ATOM 0 HG13 ILE A 56 4.544 15.038 -20.241 1.00 23.43 H new ATOM 0 HG21 ILE A 56 1.295 16.096 -21.006 1.00 34.23 H new ATOM 0 HG22 ILE A 56 1.440 15.566 -22.699 1.00 34.23 H new ATOM 0 HG23 ILE A 56 1.848 14.445 -21.378 1.00 34.23 H new ATOM 0 HD11 ILE A 56 5.162 17.045 -18.986 1.00 74.44 H new ATOM 0 HD12 ILE A 56 5.582 17.230 -20.705 1.00 74.44 H new ATOM 0 HD13 ILE A 56 4.140 18.041 -20.049 1.00 74.44 H new ATOM 1056 N SER A 69 -0.828 10.532 -15.927 1.00 52.24 N ATOM 1057 CA SER A 69 -1.400 11.652 -15.189 1.00 41.20 C ATOM 1058 C SER A 69 -0.703 12.958 -15.558 1.00 1.34 C ATOM 1059 O SER A 69 -1.160 14.043 -15.197 1.00 73.11 O ATOM 1060 CB SER A 69 -1.287 11.408 -13.683 1.00 13.31 C ATOM 1061 OG SER A 69 -2.385 11.977 -12.991 1.00 0.44 O ATOM 0 HA SER A 69 -2.453 11.734 -15.459 1.00 41.20 H new ATOM 0 HB2 SER A 69 -1.245 10.337 -13.487 1.00 13.31 H new ATOM 0 HB3 SER A 69 -0.357 11.837 -13.311 1.00 13.31 H new ATOM 0 HG SER A 69 -3.072 12.249 -13.635 1.00 0.44 H new ATOM 1067 N VAL A 70 0.408 12.846 -16.279 1.00 70.10 N ATOM 1068 CA VAL A 70 1.169 14.017 -16.698 1.00 61.43 C ATOM 1069 C VAL A 70 0.323 14.940 -17.567 1.00 53.03 C ATOM 1070 O VAL A 70 0.572 16.143 -17.640 1.00 21.51 O ATOM 1071 CB VAL A 70 2.435 13.614 -17.478 1.00 32.51 C ATOM 1072 CG1 VAL A 70 3.359 12.781 -16.602 1.00 72.35 C ATOM 1073 CG2 VAL A 70 2.062 12.858 -18.744 1.00 70.52 C ATOM 0 H VAL A 70 0.801 11.956 -16.585 1.00 70.10 H new ATOM 0 HA VAL A 70 1.463 14.545 -15.791 1.00 61.43 H new ATOM 0 HB VAL A 70 2.967 14.520 -17.767 1.00 32.51 H new ATOM 0 HG11 VAL A 70 4.248 12.505 -17.170 1.00 72.35 H new ATOM 0 HG12 VAL A 70 3.652 13.362 -15.727 1.00 72.35 H new ATOM 0 HG13 VAL A 70 2.840 11.878 -16.281 1.00 72.35 H new ATOM 0 HG21 VAL A 70 2.968 12.581 -19.283 1.00 70.52 H new ATOM 0 HG22 VAL A 70 1.507 11.958 -18.480 1.00 70.52 H new ATOM 0 HG23 VAL A 70 1.443 13.493 -19.378 1.00 70.52 H new ATOM 1083 N GLY A 71 -0.681 14.368 -18.226 1.00 50.40 N ATOM 1084 CA GLY A 71 -1.550 15.155 -19.082 1.00 31.03 C ATOM 1085 C GLY A 71 -2.485 16.050 -18.293 1.00 0.04 C ATOM 1086 O GLY A 71 -2.815 17.152 -18.730 1.00 4.03 O ATOM 0 H GLY A 71 -0.908 13.374 -18.182 1.00 50.40 H new ATOM 0 HA2 GLY A 71 -0.942 15.767 -19.748 1.00 31.03 H new ATOM 0 HA3 GLY A 71 -2.137 14.486 -19.712 1.00 31.03 H new ATOM 1090 N GLU A 72 -2.914 15.575 -17.128 1.00 32.43 N ATOM 1091 CA GLU A 72 -3.819 16.340 -16.278 1.00 31.41 C ATOM 1092 C GLU A 72 -3.161 17.634 -15.808 1.00 63.33 C ATOM 1093 O GLU A 72 -3.681 18.726 -16.037 1.00 44.13 O ATOM 1094 CB GLU A 72 -4.247 15.505 -15.069 1.00 74.33 C ATOM 1095 CG GLU A 72 -5.559 14.766 -15.274 1.00 73.00 C ATOM 1096 CD GLU A 72 -5.815 13.723 -14.203 1.00 40.41 C ATOM 1097 OE1 GLU A 72 -5.025 12.761 -14.110 1.00 42.13 O ATOM 1098 OE2 GLU A 72 -6.806 13.871 -13.457 1.00 70.53 O ATOM 0 H GLU A 72 -2.650 14.665 -16.751 1.00 32.43 H new ATOM 0 HA GLU A 72 -4.701 16.594 -16.866 1.00 31.41 H new ATOM 0 HB2 GLU A 72 -3.464 14.782 -14.842 1.00 74.33 H new ATOM 0 HB3 GLU A 72 -4.339 16.158 -14.201 1.00 74.33 H new ATOM 0 HG2 GLU A 72 -6.379 15.484 -15.280 1.00 73.00 H new ATOM 0 HG3 GLU A 72 -5.551 14.283 -16.251 1.00 73.00 H new ATOM 1105 N TYR A 73 -2.014 17.502 -15.150 1.00 55.21 N ATOM 1106 CA TYR A 73 -1.286 18.660 -14.645 1.00 62.22 C ATOM 1107 C TYR A 73 -1.038 19.675 -15.757 1.00 23.31 C ATOM 1108 O TYR A 73 -1.157 20.883 -15.549 1.00 24.01 O ATOM 1109 CB TYR A 73 0.046 18.223 -14.032 1.00 34.12 C ATOM 1110 CG TYR A 73 -0.096 17.144 -12.982 1.00 15.32 C ATOM 1111 CD1 TYR A 73 -0.579 17.442 -11.713 1.00 73.12 C ATOM 1112 CD2 TYR A 73 0.253 15.828 -13.257 1.00 51.25 C ATOM 1113 CE1 TYR A 73 -0.710 16.460 -10.750 1.00 72.13 C ATOM 1114 CE2 TYR A 73 0.124 14.840 -12.301 1.00 70.43 C ATOM 1115 CZ TYR A 73 -0.358 15.160 -11.049 1.00 42.43 C ATOM 1116 OH TYR A 73 -0.486 14.179 -10.094 1.00 33.34 O ATOM 0 H TYR A 73 -1.569 16.605 -14.954 1.00 55.21 H new ATOM 0 HA TYR A 73 -1.895 19.133 -13.875 1.00 62.22 H new ATOM 0 HB2 TYR A 73 0.701 17.862 -14.825 1.00 34.12 H new ATOM 0 HB3 TYR A 73 0.533 19.090 -13.586 1.00 34.12 H new ATOM 0 HD1 TYR A 73 -0.857 18.458 -11.476 1.00 73.12 H new ATOM 0 HD2 TYR A 73 0.632 15.573 -14.236 1.00 51.25 H new ATOM 0 HE1 TYR A 73 -1.086 16.709 -9.769 1.00 72.13 H new ATOM 0 HE2 TYR A 73 0.399 13.822 -12.533 1.00 70.43 H new ATOM 0 HH TYR A 73 -0.196 13.320 -10.466 1.00 33.34 H new ATOM 1126 N LEU A 74 -0.693 19.175 -16.939 1.00 1.34 N ATOM 1127 CA LEU A 74 -0.428 20.037 -18.086 1.00 33.14 C ATOM 1128 C LEU A 74 -1.681 20.809 -18.487 1.00 2.41 C ATOM 1129 O LEU A 74 -1.606 21.976 -18.870 1.00 1.40 O ATOM 1130 CB LEU A 74 0.073 19.206 -19.268 1.00 33.40 C ATOM 1131 CG LEU A 74 1.229 19.806 -20.069 1.00 12.13 C ATOM 1132 CD1 LEU A 74 0.873 21.203 -20.554 1.00 61.32 C ATOM 1133 CD2 LEU A 74 2.498 19.838 -19.230 1.00 43.12 C ATOM 0 H LEU A 74 -0.590 18.178 -17.128 1.00 1.34 H new ATOM 0 HA LEU A 74 0.342 20.753 -17.801 1.00 33.14 H new ATOM 0 HB2 LEU A 74 0.384 18.230 -18.894 1.00 33.40 H new ATOM 0 HB3 LEU A 74 -0.763 19.036 -19.947 1.00 33.40 H new ATOM 0 HG LEU A 74 1.409 19.176 -20.940 1.00 12.13 H new ATOM 0 HD11 LEU A 74 1.707 21.615 -21.122 1.00 61.32 H new ATOM 0 HD12 LEU A 74 -0.010 21.153 -21.191 1.00 61.32 H new ATOM 0 HD13 LEU A 74 0.666 21.844 -19.697 1.00 61.32 H new ATOM 0 HD21 LEU A 74 3.311 20.268 -19.816 1.00 43.12 H new ATOM 0 HD22 LEU A 74 2.331 20.445 -18.341 1.00 43.12 H new ATOM 0 HD23 LEU A 74 2.763 18.824 -18.932 1.00 43.12 H new ATOM 1145 N MET A 75 -2.831 20.150 -18.394 1.00 52.51 N ATOM 1146 CA MET A 75 -4.101 20.777 -18.744 1.00 63.03 C ATOM 1147 C MET A 75 -4.360 22.003 -17.875 1.00 1.21 C ATOM 1148 O MET A 75 -4.565 23.105 -18.384 1.00 11.30 O ATOM 1149 CB MET A 75 -5.248 19.776 -18.590 1.00 5.21 C ATOM 1150 CG MET A 75 -6.357 19.961 -19.612 1.00 60.15 C ATOM 1151 SD MET A 75 -7.735 18.826 -19.355 1.00 43.51 S ATOM 1152 CE MET A 75 -9.128 19.933 -19.565 1.00 23.43 C ATOM 0 H MET A 75 -2.910 19.183 -18.080 1.00 52.51 H new ATOM 0 HA MET A 75 -4.045 21.097 -19.784 1.00 63.03 H new ATOM 0 HB2 MET A 75 -4.851 18.765 -18.676 1.00 5.21 H new ATOM 0 HB3 MET A 75 -5.669 19.869 -17.589 1.00 5.21 H new ATOM 0 HG2 MET A 75 -6.722 20.987 -19.564 1.00 60.15 H new ATOM 0 HG3 MET A 75 -5.952 19.813 -20.613 1.00 60.15 H new ATOM 0 HE1 MET A 75 -10.057 19.378 -19.435 1.00 23.43 H new ATOM 0 HE2 MET A 75 -9.075 20.729 -18.823 1.00 23.43 H new ATOM 0 HE3 MET A 75 -9.101 20.366 -20.565 1.00 23.43 H new ATOM 1162 N PHE A 76 -4.350 21.804 -16.561 1.00 4.30 N ATOM 1163 CA PHE A 76 -4.585 22.894 -15.621 1.00 1.11 C ATOM 1164 C PHE A 76 -3.469 23.931 -15.700 1.00 44.31 C ATOM 1165 O PHE A 76 -3.685 25.115 -15.438 1.00 44.13 O ATOM 1166 CB PHE A 76 -4.692 22.351 -14.194 1.00 41.24 C ATOM 1167 CG PHE A 76 -5.608 21.167 -14.071 1.00 3.13 C ATOM 1168 CD1 PHE A 76 -6.837 21.155 -14.710 1.00 42.41 C ATOM 1169 CD2 PHE A 76 -5.240 20.066 -13.315 1.00 25.15 C ATOM 1170 CE1 PHE A 76 -7.682 20.067 -14.599 1.00 2.24 C ATOM 1171 CE2 PHE A 76 -6.080 18.975 -13.200 1.00 31.12 C ATOM 1172 CZ PHE A 76 -7.303 18.976 -13.842 1.00 32.04 C ATOM 0 H PHE A 76 -4.182 20.898 -16.123 1.00 4.30 H new ATOM 0 HA PHE A 76 -5.525 23.376 -15.891 1.00 1.11 H new ATOM 0 HB2 PHE A 76 -3.698 22.069 -13.845 1.00 41.24 H new ATOM 0 HB3 PHE A 76 -5.047 23.145 -13.537 1.00 41.24 H new ATOM 0 HD1 PHE A 76 -7.139 22.006 -15.302 1.00 42.41 H new ATOM 0 HD2 PHE A 76 -4.286 20.060 -12.810 1.00 25.15 H new ATOM 0 HE1 PHE A 76 -8.637 20.070 -15.103 1.00 2.24 H new ATOM 0 HE2 PHE A 76 -5.781 18.122 -12.609 1.00 31.12 H new ATOM 0 HZ PHE A 76 -7.962 18.125 -13.752 1.00 32.04 H new ATOM 1182 N THR A 77 -2.272 23.478 -16.063 1.00 14.13 N ATOM 1183 CA THR A 77 -1.121 24.365 -16.175 1.00 31.42 C ATOM 1184 C THR A 77 -1.279 25.325 -17.348 1.00 1.10 C ATOM 1185 O THR A 77 -1.085 26.532 -17.204 1.00 72.14 O ATOM 1186 CB THR A 77 0.186 23.569 -16.350 1.00 71.40 C ATOM 1187 OG1 THR A 77 0.536 22.925 -15.120 1.00 21.22 O ATOM 1188 CG2 THR A 77 1.320 24.481 -16.792 1.00 22.05 C ATOM 0 H THR A 77 -2.075 22.502 -16.284 1.00 14.13 H new ATOM 0 HA THR A 77 -1.069 24.935 -15.247 1.00 31.42 H new ATOM 0 HB THR A 77 0.026 22.815 -17.121 1.00 71.40 H new ATOM 0 HG1 THR A 77 -0.077 22.178 -14.956 1.00 21.22 H new ATOM 0 HG21 THR A 77 2.233 23.896 -16.909 1.00 22.05 H new ATOM 0 HG22 THR A 77 1.063 24.946 -17.743 1.00 22.05 H new ATOM 0 HG23 THR A 77 1.479 25.255 -16.041 1.00 22.05 H new ATOM 1196 N MET A 78 -1.632 24.782 -18.508 1.00 72.32 N ATOM 1197 CA MET A 78 -1.818 25.592 -19.706 1.00 42.32 C ATOM 1198 C MET A 78 -2.860 26.681 -19.470 1.00 72.41 C ATOM 1199 O MET A 78 -2.747 27.787 -19.998 1.00 14.23 O ATOM 1200 CB MET A 78 -2.241 24.711 -20.883 1.00 42.44 C ATOM 1201 CG MET A 78 -1.080 24.268 -21.759 1.00 22.05 C ATOM 1202 SD MET A 78 -0.548 25.550 -22.909 1.00 53.25 S ATOM 1203 CE MET A 78 1.150 25.788 -22.391 1.00 74.21 C ATOM 0 H MET A 78 -1.795 23.784 -18.644 1.00 72.32 H new ATOM 0 HA MET A 78 -0.867 26.069 -19.943 1.00 42.32 H new ATOM 0 HB2 MET A 78 -2.754 23.829 -20.500 1.00 42.44 H new ATOM 0 HB3 MET A 78 -2.959 25.257 -21.495 1.00 42.44 H new ATOM 0 HG2 MET A 78 -0.240 23.983 -21.125 1.00 22.05 H new ATOM 0 HG3 MET A 78 -1.372 23.380 -22.320 1.00 22.05 H new ATOM 0 HE1 MET A 78 1.737 26.165 -23.229 1.00 74.21 H new ATOM 0 HE2 MET A 78 1.183 26.507 -21.572 1.00 74.21 H new ATOM 0 HE3 MET A 78 1.565 24.837 -22.056 1.00 74.21 H new ATOM 1213 N VAL A 79 -3.875 26.359 -18.674 1.00 53.12 N ATOM 1214 CA VAL A 79 -4.937 27.310 -18.368 1.00 34.21 C ATOM 1215 C VAL A 79 -4.404 28.489 -17.562 1.00 31.44 C ATOM 1216 O VAL A 79 -4.493 29.640 -17.991 1.00 63.30 O ATOM 1217 CB VAL A 79 -6.081 26.640 -17.583 1.00 2.23 C ATOM 1218 CG1 VAL A 79 -6.986 27.691 -16.957 1.00 62.50 C ATOM 1219 CG2 VAL A 79 -6.875 25.711 -18.488 1.00 32.22 C ATOM 0 H VAL A 79 -3.984 25.447 -18.230 1.00 53.12 H new ATOM 0 HA VAL A 79 -5.323 27.671 -19.321 1.00 34.21 H new ATOM 0 HB VAL A 79 -5.647 26.044 -16.780 1.00 2.23 H new ATOM 0 HG11 VAL A 79 -7.788 27.199 -16.407 1.00 62.50 H new ATOM 0 HG12 VAL A 79 -6.405 28.312 -16.275 1.00 62.50 H new ATOM 0 HG13 VAL A 79 -7.414 28.316 -17.741 1.00 62.50 H new ATOM 0 HG21 VAL A 79 -7.679 25.246 -17.917 1.00 32.22 H new ATOM 0 HG22 VAL A 79 -7.299 26.282 -19.313 1.00 32.22 H new ATOM 0 HG23 VAL A 79 -6.216 24.937 -18.883 1.00 32.22 H new ATOM 1229 N LEU A 80 -3.850 28.195 -16.391 1.00 25.32 N ATOM 1230 CA LEU A 80 -3.300 29.231 -15.523 1.00 33.43 C ATOM 1231 C LEU A 80 -2.234 30.042 -16.251 1.00 50.41 C ATOM 1232 O LEU A 80 -2.226 31.272 -16.191 1.00 3.04 O ATOM 1233 CB LEU A 80 -2.706 28.604 -14.260 1.00 74.42 C ATOM 1234 CG LEU A 80 -2.936 29.371 -12.958 1.00 10.12 C ATOM 1235 CD1 LEU A 80 -4.323 29.082 -12.405 1.00 61.31 C ATOM 1236 CD2 LEU A 80 -1.867 29.016 -11.934 1.00 53.52 C ATOM 0 H LEU A 80 -3.770 27.248 -16.021 1.00 25.32 H new ATOM 0 HA LEU A 80 -4.111 29.902 -15.241 1.00 33.43 H new ATOM 0 HB2 LEU A 80 -3.121 27.602 -14.146 1.00 74.42 H new ATOM 0 HB3 LEU A 80 -1.632 28.490 -14.406 1.00 74.42 H new ATOM 0 HG LEU A 80 -2.868 30.438 -13.171 1.00 10.12 H new ATOM 0 HD11 LEU A 80 -4.468 29.637 -11.478 1.00 61.31 H new ATOM 0 HD12 LEU A 80 -5.075 29.387 -13.132 1.00 61.31 H new ATOM 0 HD13 LEU A 80 -4.421 28.014 -12.208 1.00 61.31 H new ATOM 0 HD21 LEU A 80 -2.046 29.571 -11.013 1.00 53.52 H new ATOM 0 HD22 LEU A 80 -1.903 27.947 -11.726 1.00 53.52 H new ATOM 0 HD23 LEU A 80 -0.885 29.276 -12.329 1.00 53.52 H new ATOM 1248 N VAL A 81 -1.336 29.346 -16.941 1.00 53.34 N ATOM 1249 CA VAL A 81 -0.267 30.002 -17.685 1.00 12.33 C ATOM 1250 C VAL A 81 -0.830 30.988 -18.702 1.00 51.22 C ATOM 1251 O VAL A 81 -0.374 32.128 -18.798 1.00 44.00 O ATOM 1252 CB VAL A 81 0.619 28.977 -18.416 1.00 61.40 C ATOM 1253 CG1 VAL A 81 1.330 29.628 -19.593 1.00 21.24 C ATOM 1254 CG2 VAL A 81 1.621 28.357 -17.454 1.00 20.23 C ATOM 0 H VAL A 81 -1.328 28.328 -17.000 1.00 53.34 H new ATOM 0 HA VAL A 81 0.340 30.542 -16.958 1.00 12.33 H new ATOM 0 HB VAL A 81 -0.019 28.182 -18.803 1.00 61.40 H new ATOM 0 HG11 VAL A 81 1.951 28.888 -20.097 1.00 21.24 H new ATOM 0 HG12 VAL A 81 0.592 30.019 -20.293 1.00 21.24 H new ATOM 0 HG13 VAL A 81 1.957 30.444 -19.233 1.00 21.24 H new ATOM 0 HG21 VAL A 81 2.239 27.635 -17.988 1.00 20.23 H new ATOM 0 HG22 VAL A 81 2.255 29.139 -17.036 1.00 20.23 H new ATOM 0 HG23 VAL A 81 1.088 27.853 -16.648 1.00 20.23 H new ATOM 1264 N THR A 82 -1.826 30.543 -19.462 1.00 30.52 N ATOM 1265 CA THR A 82 -2.452 31.385 -20.473 1.00 63.23 C ATOM 1266 C THR A 82 -2.889 32.721 -19.883 1.00 25.40 C ATOM 1267 O THR A 82 -2.709 33.771 -20.499 1.00 54.32 O ATOM 1268 CB THR A 82 -3.674 30.691 -21.104 1.00 42.13 C ATOM 1269 OG1 THR A 82 -3.245 29.620 -21.953 1.00 13.40 O ATOM 1270 CG2 THR A 82 -4.503 31.681 -21.908 1.00 41.41 C ATOM 0 H THR A 82 -2.216 29.603 -19.396 1.00 30.52 H new ATOM 0 HA THR A 82 -1.703 31.560 -21.246 1.00 63.23 H new ATOM 0 HB THR A 82 -4.293 30.292 -20.300 1.00 42.13 H new ATOM 0 HG1 THR A 82 -3.012 28.842 -21.405 1.00 13.40 H new ATOM 0 HG21 THR A 82 -5.360 31.168 -22.344 1.00 41.41 H new ATOM 0 HG22 THR A 82 -4.852 32.479 -21.253 1.00 41.41 H new ATOM 0 HG23 THR A 82 -3.891 32.106 -22.704 1.00 41.41 H new ATOM 1278 N PHE A 83 -3.462 32.674 -18.685 1.00 61.31 N ATOM 1279 CA PHE A 83 -3.925 33.881 -18.011 1.00 41.33 C ATOM 1280 C PHE A 83 -2.791 34.892 -17.866 1.00 22.31 C ATOM 1281 O PHE A 83 -2.940 36.063 -18.216 1.00 25.44 O ATOM 1282 CB PHE A 83 -4.495 33.536 -16.634 1.00 62.30 C ATOM 1283 CG PHE A 83 -5.807 34.206 -16.343 1.00 2.53 C ATOM 1284 CD1 PHE A 83 -6.956 33.836 -17.023 1.00 5.00 C ATOM 1285 CD2 PHE A 83 -5.891 35.208 -15.389 1.00 31.12 C ATOM 1286 CE1 PHE A 83 -8.165 34.451 -16.757 1.00 65.00 C ATOM 1287 CE2 PHE A 83 -7.097 35.826 -15.118 1.00 52.13 C ATOM 1288 CZ PHE A 83 -8.235 35.448 -15.804 1.00 51.11 C ATOM 0 H PHE A 83 -3.617 31.813 -18.161 1.00 61.31 H new ATOM 0 HA PHE A 83 -4.711 34.328 -18.620 1.00 41.33 H new ATOM 0 HB2 PHE A 83 -4.624 32.456 -16.563 1.00 62.30 H new ATOM 0 HB3 PHE A 83 -3.773 33.821 -15.869 1.00 62.30 H new ATOM 0 HD1 PHE A 83 -6.906 33.058 -17.770 1.00 5.00 H new ATOM 0 HD2 PHE A 83 -5.004 35.509 -14.851 1.00 31.12 H new ATOM 0 HE1 PHE A 83 -9.053 34.152 -17.294 1.00 65.00 H new ATOM 0 HE2 PHE A 83 -7.150 36.604 -14.371 1.00 52.13 H new ATOM 0 HZ PHE A 83 -9.178 35.931 -15.595 1.00 51.11 H new ATOM 1298 N SER A 84 -1.658 34.430 -17.347 1.00 23.13 N ATOM 1299 CA SER A 84 -0.499 35.293 -17.150 1.00 50.33 C ATOM 1300 C SER A 84 0.037 35.796 -18.487 1.00 54.24 C ATOM 1301 O SER A 84 0.325 36.983 -18.646 1.00 24.31 O ATOM 1302 CB SER A 84 0.601 34.543 -16.397 1.00 70.32 C ATOM 1303 OG SER A 84 1.171 33.528 -17.205 1.00 45.24 O ATOM 0 H SER A 84 -1.518 33.463 -17.055 1.00 23.13 H new ATOM 0 HA SER A 84 -0.814 36.152 -16.557 1.00 50.33 H new ATOM 0 HB2 SER A 84 1.376 35.244 -16.087 1.00 70.32 H new ATOM 0 HB3 SER A 84 0.189 34.101 -15.490 1.00 70.32 H new ATOM 0 HG SER A 84 0.464 32.929 -17.525 1.00 45.24 H new ATOM 1309 N ILE A 85 0.166 34.885 -19.446 1.00 4.11 N ATOM 1310 CA ILE A 85 0.666 35.236 -20.770 1.00 31.54 C ATOM 1311 C ILE A 85 -0.205 36.305 -21.421 1.00 30.44 C ATOM 1312 O ILE A 85 0.301 37.254 -22.019 1.00 65.32 O ATOM 1313 CB ILE A 85 0.724 34.005 -21.693 1.00 64.53 C ATOM 1314 CG1 ILE A 85 1.750 32.997 -21.172 1.00 25.55 C ATOM 1315 CG2 ILE A 85 1.063 34.425 -23.116 1.00 10.24 C ATOM 1316 CD1 ILE A 85 3.184 33.417 -21.407 1.00 63.12 C ATOM 0 H ILE A 85 -0.069 33.899 -19.331 1.00 4.11 H new ATOM 0 HA ILE A 85 1.675 35.626 -20.634 1.00 31.54 H new ATOM 0 HB ILE A 85 -0.256 33.528 -21.699 1.00 64.53 H new ATOM 0 HG12 ILE A 85 1.593 32.851 -20.103 1.00 25.55 H new ATOM 0 HG13 ILE A 85 1.578 32.034 -21.654 1.00 25.55 H new ATOM 0 HG21 ILE A 85 1.100 33.544 -23.756 1.00 10.24 H new ATOM 0 HG22 ILE A 85 0.299 35.110 -23.485 1.00 10.24 H new ATOM 0 HG23 ILE A 85 2.033 34.923 -23.127 1.00 10.24 H new ATOM 0 HD11 ILE A 85 3.856 32.655 -21.012 1.00 63.12 H new ATOM 0 HD12 ILE A 85 3.358 33.535 -22.477 1.00 63.12 H new ATOM 0 HD13 ILE A 85 3.373 34.364 -20.902 1.00 63.12 H new ATOM 1328 N VAL A 86 -1.519 36.145 -21.298 1.00 50.21 N ATOM 1329 CA VAL A 86 -2.462 37.098 -21.872 1.00 4.11 C ATOM 1330 C VAL A 86 -2.152 38.520 -21.417 1.00 23.35 C ATOM 1331 O VAL A 86 -1.862 39.396 -22.232 1.00 11.12 O ATOM 1332 CB VAL A 86 -3.913 36.753 -21.488 1.00 63.30 C ATOM 1333 CG1 VAL A 86 -4.814 37.965 -21.662 1.00 13.41 C ATOM 1334 CG2 VAL A 86 -4.417 35.580 -22.315 1.00 33.10 C ATOM 0 H VAL A 86 -1.955 35.365 -20.806 1.00 50.21 H new ATOM 0 HA VAL A 86 -2.356 37.035 -22.955 1.00 4.11 H new ATOM 0 HB VAL A 86 -3.934 36.463 -20.437 1.00 63.30 H new ATOM 0 HG11 VAL A 86 -5.835 37.702 -21.386 1.00 13.41 H new ATOM 0 HG12 VAL A 86 -4.462 38.775 -21.022 1.00 13.41 H new ATOM 0 HG13 VAL A 86 -4.791 38.289 -22.703 1.00 13.41 H new ATOM 0 HG21 VAL A 86 -5.444 35.349 -22.031 1.00 33.10 H new ATOM 0 HG22 VAL A 86 -4.383 35.839 -23.373 1.00 33.10 H new ATOM 0 HG23 VAL A 86 -3.786 34.710 -22.134 1.00 33.10 H new ATOM 1344 N THR A 87 -2.214 38.743 -20.107 1.00 63.23 N ATOM 1345 CA THR A 87 -1.940 40.058 -19.542 1.00 54.14 C ATOM 1346 C THR A 87 -0.544 40.539 -19.919 1.00 63.12 C ATOM 1347 O THR A 87 -0.273 41.740 -19.932 1.00 23.41 O ATOM 1348 CB THR A 87 -2.071 40.048 -18.008 1.00 0.54 C ATOM 1349 OG1 THR A 87 -3.039 39.074 -17.604 1.00 74.24 O ATOM 1350 CG2 THR A 87 -2.479 41.420 -17.491 1.00 23.24 C ATOM 0 H THR A 87 -2.452 38.029 -19.418 1.00 63.23 H new ATOM 0 HA THR A 87 -2.680 40.741 -19.958 1.00 54.14 H new ATOM 0 HB THR A 87 -1.100 39.791 -17.585 1.00 0.54 H new ATOM 0 HG1 THR A 87 -2.865 38.804 -16.678 1.00 74.24 H new ATOM 0 HG21 THR A 87 -2.565 41.389 -16.405 1.00 23.24 H new ATOM 0 HG22 THR A 87 -1.725 42.154 -17.774 1.00 23.24 H new ATOM 0 HG23 THR A 87 -3.439 41.701 -17.923 1.00 23.24 H new ATOM 1358 N SER A 88 0.340 39.594 -20.226 1.00 55.33 N ATOM 1359 CA SER A 88 1.710 39.922 -20.601 1.00 1.11 C ATOM 1360 C SER A 88 1.744 40.691 -21.918 1.00 62.23 C ATOM 1361 O SER A 88 2.356 41.755 -22.014 1.00 21.20 O ATOM 1362 CB SER A 88 2.548 38.647 -20.719 1.00 54.34 C ATOM 1363 OG SER A 88 3.768 38.771 -20.010 1.00 0.02 O ATOM 0 H SER A 88 0.131 38.596 -20.222 1.00 55.33 H new ATOM 0 HA SER A 88 2.133 40.555 -19.821 1.00 1.11 H new ATOM 0 HB2 SER A 88 1.983 37.800 -20.331 1.00 54.34 H new ATOM 0 HB3 SER A 88 2.754 38.439 -21.769 1.00 54.34 H new ATOM 0 HG SER A 88 4.284 37.943 -20.100 1.00 0.02 H new ATOM 1369 N VAL A 89 1.082 40.144 -22.933 1.00 21.32 N ATOM 1370 CA VAL A 89 1.035 40.777 -24.245 1.00 54.02 C ATOM 1371 C VAL A 89 0.219 42.065 -24.205 1.00 22.51 C ATOM 1372 O VAL A 89 0.552 43.044 -24.874 1.00 23.52 O ATOM 1373 CB VAL A 89 0.432 39.833 -25.302 1.00 55.24 C ATOM 1374 CG1 VAL A 89 0.074 40.603 -26.564 1.00 42.54 C ATOM 1375 CG2 VAL A 89 1.396 38.699 -25.615 1.00 74.13 C ATOM 0 H VAL A 89 0.571 39.263 -22.871 1.00 21.32 H new ATOM 0 HA VAL A 89 2.063 41.010 -24.521 1.00 54.02 H new ATOM 0 HB VAL A 89 -0.483 39.400 -24.898 1.00 55.24 H new ATOM 0 HG11 VAL A 89 -0.351 39.919 -27.299 1.00 42.54 H new ATOM 0 HG12 VAL A 89 -0.656 41.376 -26.324 1.00 42.54 H new ATOM 0 HG13 VAL A 89 0.971 41.066 -26.975 1.00 42.54 H new ATOM 0 HG21 VAL A 89 0.954 38.042 -26.364 1.00 74.13 H new ATOM 0 HG22 VAL A 89 2.329 39.110 -25.999 1.00 74.13 H new ATOM 0 HG23 VAL A 89 1.597 38.131 -24.707 1.00 74.13 H new ATOM 1385 N CYS A 90 -0.850 42.057 -23.416 1.00 63.43 N ATOM 1386 CA CYS A 90 -1.714 43.225 -23.288 1.00 72.55 C ATOM 1387 C CYS A 90 -0.915 44.448 -22.852 1.00 24.31 C ATOM 1388 O CYS A 90 -1.224 45.575 -23.237 1.00 54.12 O ATOM 1389 CB CYS A 90 -2.835 42.948 -22.285 1.00 61.02 C ATOM 1390 SG CYS A 90 -3.854 44.391 -21.900 1.00 44.30 S ATOM 0 H CYS A 90 -1.139 41.255 -22.856 1.00 63.43 H new ATOM 0 HA CYS A 90 -2.153 43.431 -24.264 1.00 72.55 H new ATOM 0 HB2 CYS A 90 -3.475 42.160 -22.681 1.00 61.02 H new ATOM 0 HB3 CYS A 90 -2.397 42.569 -21.362 1.00 61.02 H new ATOM 0 HG CYS A 90 -3.242 45.470 -22.289 1.00 44.30 H new ATOM 1396 N VAL A 91 0.115 44.217 -22.044 1.00 4.33 N ATOM 1397 CA VAL A 91 0.960 45.300 -21.554 1.00 13.35 C ATOM 1398 C VAL A 91 1.927 45.774 -22.632 1.00 52.44 C ATOM 1399 O VAL A 91 2.204 46.969 -22.752 1.00 73.33 O ATOM 1400 CB VAL A 91 1.764 44.868 -20.313 1.00 34.30 C ATOM 1401 CG1 VAL A 91 2.743 45.958 -19.904 1.00 72.44 C ATOM 1402 CG2 VAL A 91 0.827 44.523 -19.165 1.00 13.50 C ATOM 0 H VAL A 91 0.384 43.290 -21.715 1.00 4.33 H new ATOM 0 HA VAL A 91 0.296 46.120 -21.280 1.00 13.35 H new ATOM 0 HB VAL A 91 2.337 43.976 -20.565 1.00 34.30 H new ATOM 0 HG11 VAL A 91 3.302 45.634 -19.026 1.00 72.44 H new ATOM 0 HG12 VAL A 91 3.435 46.151 -20.723 1.00 72.44 H new ATOM 0 HG13 VAL A 91 2.195 46.870 -19.669 1.00 72.44 H new ATOM 0 HG21 VAL A 91 1.412 44.220 -18.297 1.00 13.50 H new ATOM 0 HG22 VAL A 91 0.226 45.396 -18.911 1.00 13.50 H new ATOM 0 HG23 VAL A 91 0.171 43.705 -19.464 1.00 13.50 H new ATOM 1412 N LEU A 92 2.438 44.832 -23.416 1.00 61.34 N ATOM 1413 CA LEU A 92 3.375 45.153 -24.488 1.00 30.54 C ATOM 1414 C LEU A 92 2.723 46.057 -25.528 1.00 42.52 C ATOM 1415 O LEU A 92 3.408 46.703 -26.320 1.00 45.00 O ATOM 1416 CB LEU A 92 3.878 43.870 -25.153 1.00 54.33 C ATOM 1417 CG LEU A 92 5.394 43.678 -25.180 1.00 23.21 C ATOM 1418 CD1 LEU A 92 5.774 42.345 -24.554 1.00 62.34 C ATOM 1419 CD2 LEU A 92 5.918 43.769 -26.606 1.00 25.24 C ATOM 0 H LEU A 92 2.220 43.839 -23.330 1.00 61.34 H new ATOM 0 HA LEU A 92 4.221 45.684 -24.052 1.00 30.54 H new ATOM 0 HB2 LEU A 92 3.433 43.019 -24.637 1.00 54.33 H new ATOM 0 HB3 LEU A 92 3.511 43.848 -26.179 1.00 54.33 H new ATOM 0 HG LEU A 92 5.853 44.475 -24.595 1.00 23.21 H new ATOM 0 HD11 LEU A 92 6.857 42.225 -24.582 1.00 62.34 H new ATOM 0 HD12 LEU A 92 5.433 42.319 -23.519 1.00 62.34 H new ATOM 0 HD13 LEU A 92 5.305 41.534 -25.112 1.00 62.34 H new ATOM 0 HD21 LEU A 92 6.999 43.630 -26.606 1.00 25.24 H new ATOM 0 HD22 LEU A 92 5.452 42.994 -27.215 1.00 25.24 H new ATOM 0 HD23 LEU A 92 5.678 44.748 -27.020 1.00 25.24 H new ATOM 1632 N GLY A 108 -0.619 49.726 -9.864 1.00 31.25 N ATOM 1633 CA GLY A 108 -1.088 48.864 -8.794 1.00 62.22 C ATOM 1634 C GLY A 108 -1.864 47.669 -9.311 1.00 14.01 C ATOM 1635 O GLY A 108 -1.762 46.570 -8.764 1.00 41.43 O ATOM 0 HA2 GLY A 108 -0.235 48.515 -8.212 1.00 62.22 H new ATOM 0 HA3 GLY A 108 -1.721 49.440 -8.119 1.00 62.22 H new ATOM 1639 N ILE A 109 -2.644 47.883 -10.365 1.00 52.22 N ATOM 1640 CA ILE A 109 -3.442 46.815 -10.955 1.00 25.14 C ATOM 1641 C ILE A 109 -2.586 45.586 -11.243 1.00 34.31 C ATOM 1642 O ILE A 109 -3.044 44.451 -11.101 1.00 43.52 O ATOM 1643 CB ILE A 109 -4.119 47.273 -12.260 1.00 32.53 C ATOM 1644 CG1 ILE A 109 -4.700 46.070 -13.007 1.00 44.44 C ATOM 1645 CG2 ILE A 109 -3.127 48.021 -13.138 1.00 30.45 C ATOM 1646 CD1 ILE A 109 -3.789 45.535 -14.090 1.00 50.33 C ATOM 0 H ILE A 109 -2.741 48.787 -10.828 1.00 52.22 H new ATOM 0 HA ILE A 109 -4.212 46.557 -10.228 1.00 25.14 H new ATOM 0 HB ILE A 109 -4.935 47.951 -12.011 1.00 32.53 H new ATOM 0 HG12 ILE A 109 -4.908 45.274 -12.292 1.00 44.44 H new ATOM 0 HG13 ILE A 109 -5.653 46.355 -13.453 1.00 44.44 H new ATOM 0 HG21 ILE A 109 -3.621 48.338 -14.056 1.00 30.45 H new ATOM 0 HG22 ILE A 109 -2.757 48.896 -12.604 1.00 30.45 H new ATOM 0 HG23 ILE A 109 -2.292 47.365 -13.383 1.00 30.45 H new ATOM 0 HD11 ILE A 109 -4.264 44.684 -14.577 1.00 50.33 H new ATOM 0 HD12 ILE A 109 -3.601 46.316 -14.826 1.00 50.33 H new ATOM 0 HD13 ILE A 109 -2.844 45.219 -13.648 1.00 50.33 H new ATOM 1658 N ASP A 110 -1.342 45.819 -11.646 1.00 74.15 N ATOM 1659 CA ASP A 110 -0.421 44.731 -11.952 1.00 70.41 C ATOM 1660 C ASP A 110 -0.001 44.000 -10.680 1.00 54.51 C ATOM 1661 O ASP A 110 -0.099 42.776 -10.595 1.00 1.25 O ATOM 1662 CB ASP A 110 0.814 45.268 -12.678 1.00 34.33 C ATOM 1663 CG ASP A 110 0.530 45.609 -14.127 1.00 44.13 C ATOM 1664 OD1 ASP A 110 0.112 44.704 -14.879 1.00 23.12 O ATOM 1665 OD2 ASP A 110 0.728 46.781 -14.511 1.00 13.43 O ATOM 0 H ASP A 110 -0.948 46.752 -11.768 1.00 74.15 H new ATOM 0 HA ASP A 110 -0.936 44.024 -12.602 1.00 70.41 H new ATOM 0 HB2 ASP A 110 1.177 46.157 -12.163 1.00 34.33 H new ATOM 0 HB3 ASP A 110 1.611 44.526 -12.632 1.00 34.33 H new ATOM 1670 N ARG A 111 0.467 44.760 -9.695 1.00 73.11 N ATOM 1671 CA ARG A 111 0.904 44.185 -8.429 1.00 34.14 C ATOM 1672 C ARG A 111 -0.191 43.312 -7.821 1.00 51.42 C ATOM 1673 O ARG A 111 0.087 42.257 -7.249 1.00 53.52 O ATOM 1674 CB ARG A 111 1.291 45.293 -7.447 1.00 75.04 C ATOM 1675 CG ARG A 111 2.294 44.851 -6.394 1.00 54.14 C ATOM 1676 CD ARG A 111 2.365 45.842 -5.243 1.00 23.21 C ATOM 1677 NE ARG A 111 2.127 45.200 -3.953 1.00 23.11 N ATOM 1678 CZ ARG A 111 2.220 45.833 -2.789 1.00 13.02 C ATOM 1679 NH1 ARG A 111 2.543 47.118 -2.753 1.00 51.43 N ATOM 1680 NH2 ARG A 111 1.988 45.180 -1.657 1.00 2.30 N ATOM 0 H ARG A 111 0.553 45.775 -9.750 1.00 73.11 H new ATOM 0 HA ARG A 111 1.776 43.561 -8.625 1.00 34.14 H new ATOM 0 HB2 ARG A 111 1.708 46.132 -8.005 1.00 75.04 H new ATOM 0 HB3 ARG A 111 0.392 45.657 -6.950 1.00 75.04 H new ATOM 0 HG2 ARG A 111 2.015 43.869 -6.013 1.00 54.14 H new ATOM 0 HG3 ARG A 111 3.279 44.748 -6.849 1.00 54.14 H new ATOM 0 HD2 ARG A 111 3.345 46.319 -5.235 1.00 23.21 H new ATOM 0 HD3 ARG A 111 1.628 46.630 -5.397 1.00 23.21 H new ATOM 0 HE ARG A 111 1.876 44.211 -3.946 1.00 23.11 H new ATOM 0 HH11 ARG A 111 2.721 47.624 -3.621 1.00 51.43 H new ATOM 0 HH12 ARG A 111 2.614 47.601 -1.858 1.00 51.43 H new ATOM 0 HH21 ARG A 111 1.738 44.191 -1.681 1.00 2.30 H new ATOM 0 HH22 ARG A 111 2.060 45.667 -0.764 1.00 2.30 H new ATOM 1694 N LEU A 112 -1.435 43.759 -7.949 1.00 14.41 N ATOM 1695 CA LEU A 112 -2.573 43.020 -7.412 1.00 41.05 C ATOM 1696 C LEU A 112 -2.724 41.672 -8.110 1.00 41.01 C ATOM 1697 O LEU A 112 -2.831 40.633 -7.459 1.00 32.31 O ATOM 1698 CB LEU A 112 -3.857 43.836 -7.571 1.00 31.23 C ATOM 1699 CG LEU A 112 -4.931 43.610 -6.506 1.00 74.33 C ATOM 1700 CD1 LEU A 112 -4.477 44.161 -5.164 1.00 11.31 C ATOM 1701 CD2 LEU A 112 -6.245 44.249 -6.931 1.00 15.14 C ATOM 0 H LEU A 112 -1.682 44.629 -8.420 1.00 14.41 H new ATOM 0 HA LEU A 112 -2.392 42.842 -6.352 1.00 41.05 H new ATOM 0 HB2 LEU A 112 -3.594 44.894 -7.574 1.00 31.23 H new ATOM 0 HB3 LEU A 112 -4.288 43.612 -8.547 1.00 31.23 H new ATOM 0 HG LEU A 112 -5.090 42.537 -6.399 1.00 74.33 H new ATOM 0 HD11 LEU A 112 -5.254 43.991 -4.419 1.00 11.31 H new ATOM 0 HD12 LEU A 112 -3.561 43.657 -4.855 1.00 11.31 H new ATOM 0 HD13 LEU A 112 -4.289 45.231 -5.255 1.00 11.31 H new ATOM 0 HD21 LEU A 112 -6.998 44.079 -6.162 1.00 15.14 H new ATOM 0 HD22 LEU A 112 -6.101 45.321 -7.067 1.00 15.14 H new ATOM 0 HD23 LEU A 112 -6.578 43.806 -7.869 1.00 15.14 H new ATOM 1713 N PHE A 113 -2.729 41.697 -9.439 1.00 34.42 N ATOM 1714 CA PHE A 113 -2.866 40.476 -10.225 1.00 42.34 C ATOM 1715 C PHE A 113 -1.690 39.536 -9.979 1.00 45.10 C ATOM 1716 O PHE A 113 -1.854 38.316 -9.935 1.00 45.04 O ATOM 1717 CB PHE A 113 -2.961 40.812 -11.715 1.00 53.50 C ATOM 1718 CG PHE A 113 -2.937 39.603 -12.605 1.00 71.03 C ATOM 1719 CD1 PHE A 113 -3.693 38.484 -12.296 1.00 71.24 C ATOM 1720 CD2 PHE A 113 -2.158 39.585 -13.751 1.00 3.12 C ATOM 1721 CE1 PHE A 113 -3.673 37.369 -13.114 1.00 15.23 C ATOM 1722 CE2 PHE A 113 -2.134 38.474 -14.572 1.00 74.20 C ATOM 1723 CZ PHE A 113 -2.892 37.364 -14.252 1.00 51.05 C ATOM 0 H PHE A 113 -2.640 42.548 -9.994 1.00 34.42 H new ATOM 0 HA PHE A 113 -3.782 39.974 -9.913 1.00 42.34 H new ATOM 0 HB2 PHE A 113 -3.881 41.368 -11.896 1.00 53.50 H new ATOM 0 HB3 PHE A 113 -2.134 41.468 -11.985 1.00 53.50 H new ATOM 0 HD1 PHE A 113 -4.305 38.482 -11.406 1.00 71.24 H new ATOM 0 HD2 PHE A 113 -1.563 40.450 -14.005 1.00 3.12 H new ATOM 0 HE1 PHE A 113 -4.268 36.503 -12.863 1.00 15.23 H new ATOM 0 HE2 PHE A 113 -1.523 38.473 -15.463 1.00 74.20 H new ATOM 0 HZ PHE A 113 -2.873 36.494 -14.891 1.00 51.05 H new ATOM 1733 N LEU A 114 -0.503 40.112 -9.819 1.00 52.13 N ATOM 1734 CA LEU A 114 0.702 39.327 -9.578 1.00 23.23 C ATOM 1735 C LEU A 114 0.674 38.700 -8.188 1.00 21.44 C ATOM 1736 O LEU A 114 0.963 37.514 -8.025 1.00 11.00 O ATOM 1737 CB LEU A 114 1.946 40.205 -9.728 1.00 54.13 C ATOM 1738 CG LEU A 114 2.836 39.907 -10.935 1.00 72.02 C ATOM 1739 CD1 LEU A 114 3.492 38.543 -10.791 1.00 31.45 C ATOM 1740 CD2 LEU A 114 2.029 39.979 -12.224 1.00 3.14 C ATOM 0 H LEU A 114 -0.350 41.120 -9.852 1.00 52.13 H new ATOM 0 HA LEU A 114 0.738 38.527 -10.317 1.00 23.23 H new ATOM 0 HB2 LEU A 114 1.627 41.246 -9.785 1.00 54.13 H new ATOM 0 HB3 LEU A 114 2.548 40.105 -8.825 1.00 54.13 H new ATOM 0 HG LEU A 114 3.621 40.662 -10.978 1.00 72.02 H new ATOM 0 HD11 LEU A 114 4.121 38.348 -11.659 1.00 31.45 H new ATOM 0 HD12 LEU A 114 4.103 38.527 -9.889 1.00 31.45 H new ATOM 0 HD13 LEU A 114 2.722 37.775 -10.722 1.00 31.45 H new ATOM 0 HD21 LEU A 114 2.679 39.764 -13.072 1.00 3.14 H new ATOM 0 HD22 LEU A 114 1.223 39.246 -12.190 1.00 3.14 H new ATOM 0 HD23 LEU A 114 1.607 40.978 -12.334 1.00 3.14 H new ATOM 1752 N TRP A 115 0.323 39.502 -7.189 1.00 73.05 N ATOM 1753 CA TRP A 115 0.254 39.025 -5.813 1.00 24.50 C ATOM 1754 C TRP A 115 -0.679 37.825 -5.699 1.00 33.43 C ATOM 1755 O TRP A 115 -0.304 36.785 -5.156 1.00 35.21 O ATOM 1756 CB TRP A 115 -0.219 40.145 -4.886 1.00 12.03 C ATOM 1757 CG TRP A 115 -0.589 39.665 -3.515 1.00 2.22 C ATOM 1758 CD1 TRP A 115 0.218 39.004 -2.633 1.00 14.33 C ATOM 1759 CD2 TRP A 115 -1.860 39.807 -2.871 1.00 4.32 C ATOM 1760 NE1 TRP A 115 -0.475 38.727 -1.479 1.00 54.10 N ATOM 1761 CE2 TRP A 115 -1.752 39.210 -1.600 1.00 5.14 C ATOM 1762 CE3 TRP A 115 -3.077 40.383 -3.243 1.00 74.32 C ATOM 1763 CZ2 TRP A 115 -2.816 39.172 -0.703 1.00 4.15 C ATOM 1764 CZ3 TRP A 115 -4.133 40.344 -2.352 1.00 24.12 C ATOM 1765 CH2 TRP A 115 -3.996 39.743 -1.093 1.00 73.14 C ATOM 0 H TRP A 115 0.082 40.486 -7.307 1.00 73.05 H new ATOM 0 HA TRP A 115 1.254 38.713 -5.512 1.00 24.50 H new ATOM 0 HB2 TRP A 115 0.569 40.893 -4.801 1.00 12.03 H new ATOM 0 HB3 TRP A 115 -1.081 40.639 -5.335 1.00 12.03 H new ATOM 0 HD1 TRP A 115 1.249 38.738 -2.816 1.00 14.33 H new ATOM 0 HE1 TRP A 115 -0.100 38.241 -0.665 1.00 54.10 H new ATOM 0 HE3 TRP A 115 -3.191 40.851 -4.210 1.00 74.32 H new ATOM 0 HZ2 TRP A 115 -2.713 38.708 0.267 1.00 4.15 H new ATOM 0 HZ3 TRP A 115 -5.079 40.784 -2.630 1.00 24.12 H new ATOM 0 HH2 TRP A 115 -4.839 39.731 -0.418 1.00 73.14 H new ATOM 1776 N ILE A 116 -1.895 37.975 -6.213 1.00 11.30 N ATOM 1777 CA ILE A 116 -2.881 36.903 -6.169 1.00 60.40 C ATOM 1778 C ILE A 116 -2.429 35.706 -6.999 1.00 42.13 C ATOM 1779 O ILE A 116 -2.777 34.563 -6.702 1.00 4.24 O ATOM 1780 CB ILE A 116 -4.254 37.378 -6.680 1.00 2.31 C ATOM 1781 CG1 ILE A 116 -4.164 37.774 -8.155 1.00 72.02 C ATOM 1782 CG2 ILE A 116 -4.755 38.545 -5.842 1.00 52.34 C ATOM 1783 CD1 ILE A 116 -5.476 38.259 -8.732 1.00 30.44 C ATOM 0 H ILE A 116 -2.221 38.829 -6.665 1.00 11.30 H new ATOM 0 HA ILE A 116 -2.975 36.604 -5.125 1.00 60.40 H new ATOM 0 HB ILE A 116 -4.965 36.557 -6.587 1.00 2.31 H new ATOM 0 HG12 ILE A 116 -3.415 38.558 -8.267 1.00 72.02 H new ATOM 0 HG13 ILE A 116 -3.817 36.917 -8.732 1.00 72.02 H new ATOM 0 HG21 ILE A 116 -5.726 38.870 -6.215 1.00 52.34 H new ATOM 0 HG22 ILE A 116 -4.852 38.231 -4.803 1.00 52.34 H new ATOM 0 HG23 ILE A 116 -4.046 39.371 -5.908 1.00 52.34 H new ATOM 0 HD11 ILE A 116 -5.337 38.522 -9.781 1.00 30.44 H new ATOM 0 HD12 ILE A 116 -6.223 37.469 -8.652 1.00 30.44 H new ATOM 0 HD13 ILE A 116 -5.814 39.136 -8.180 1.00 30.44 H new ATOM 1795 N PHE A 117 -1.650 35.977 -8.041 1.00 62.54 N ATOM 1796 CA PHE A 117 -1.148 34.922 -8.915 1.00 55.11 C ATOM 1797 C PHE A 117 -0.192 34.002 -8.163 1.00 22.50 C ATOM 1798 O PHE A 117 -0.155 32.795 -8.405 1.00 24.02 O ATOM 1799 CB PHE A 117 -0.441 35.529 -10.129 1.00 15.33 C ATOM 1800 CG PHE A 117 0.110 34.503 -11.077 1.00 0.13 C ATOM 1801 CD1 PHE A 117 -0.692 33.479 -11.554 1.00 14.33 C ATOM 1802 CD2 PHE A 117 1.431 34.562 -11.490 1.00 41.03 C ATOM 1803 CE1 PHE A 117 -0.188 32.533 -12.427 1.00 12.55 C ATOM 1804 CE2 PHE A 117 1.941 33.619 -12.363 1.00 53.42 C ATOM 1805 CZ PHE A 117 1.130 32.603 -12.831 1.00 5.21 C ATOM 0 H PHE A 117 -1.353 36.917 -8.301 1.00 62.54 H new ATOM 0 HA PHE A 117 -1.999 34.332 -9.256 1.00 55.11 H new ATOM 0 HB2 PHE A 117 -1.142 36.168 -10.666 1.00 15.33 H new ATOM 0 HB3 PHE A 117 0.373 36.167 -9.784 1.00 15.33 H new ATOM 0 HD1 PHE A 117 -1.724 33.419 -11.240 1.00 14.33 H new ATOM 0 HD2 PHE A 117 2.070 35.353 -11.126 1.00 41.03 H new ATOM 0 HE1 PHE A 117 -0.824 31.741 -12.792 1.00 12.55 H new ATOM 0 HE2 PHE A 117 2.972 33.676 -12.679 1.00 53.42 H new ATOM 0 HZ PHE A 117 1.527 31.865 -13.512 1.00 5.21 H new ATOM 1815 N VAL A 118 0.581 34.580 -7.250 1.00 4.24 N ATOM 1816 CA VAL A 118 1.538 33.813 -6.461 1.00 43.21 C ATOM 1817 C VAL A 118 0.830 32.958 -5.417 1.00 13.34 C ATOM 1818 O VAL A 118 1.269 31.852 -5.102 1.00 71.13 O ATOM 1819 CB VAL A 118 2.550 34.735 -5.754 1.00 34.00 C ATOM 1820 CG1 VAL A 118 3.513 33.919 -4.906 1.00 4.33 C ATOM 1821 CG2 VAL A 118 3.304 35.578 -6.771 1.00 72.44 C ATOM 0 H VAL A 118 0.564 35.578 -7.038 1.00 4.24 H new ATOM 0 HA VAL A 118 2.072 33.164 -7.155 1.00 43.21 H new ATOM 0 HB VAL A 118 2.003 35.408 -5.094 1.00 34.00 H new ATOM 0 HG11 VAL A 118 4.220 34.587 -4.414 1.00 4.33 H new ATOM 0 HG12 VAL A 118 2.954 33.364 -4.153 1.00 4.33 H new ATOM 0 HG13 VAL A 118 4.056 33.220 -5.542 1.00 4.33 H new ATOM 0 HG21 VAL A 118 4.014 36.223 -6.254 1.00 72.44 H new ATOM 0 HG22 VAL A 118 3.841 34.925 -7.459 1.00 72.44 H new ATOM 0 HG23 VAL A 118 2.598 36.191 -7.330 1.00 72.44 H new ATOM 1831 N PHE A 119 -0.270 33.478 -4.882 1.00 10.35 N ATOM 1832 CA PHE A 119 -1.041 32.763 -3.871 1.00 64.11 C ATOM 1833 C PHE A 119 -1.565 31.440 -4.423 1.00 0.34 C ATOM 1834 O PHE A 119 -1.224 30.368 -3.923 1.00 73.23 O ATOM 1835 CB PHE A 119 -2.208 33.624 -3.385 1.00 1.32 C ATOM 1836 CG PHE A 119 -2.136 33.960 -1.923 1.00 14.53 C ATOM 1837 CD1 PHE A 119 -0.989 34.517 -1.382 1.00 2.25 C ATOM 1838 CD2 PHE A 119 -3.217 33.719 -1.089 1.00 43.22 C ATOM 1839 CE1 PHE A 119 -0.920 34.828 -0.036 1.00 42.15 C ATOM 1840 CE2 PHE A 119 -3.154 34.028 0.256 1.00 3.43 C ATOM 1841 CZ PHE A 119 -2.004 34.582 0.784 1.00 45.34 C ATOM 0 H PHE A 119 -0.648 34.392 -5.132 1.00 10.35 H new ATOM 0 HA PHE A 119 -0.381 32.550 -3.030 1.00 64.11 H new ATOM 0 HB2 PHE A 119 -2.232 34.549 -3.962 1.00 1.32 H new ATOM 0 HB3 PHE A 119 -3.143 33.100 -3.584 1.00 1.32 H new ATOM 0 HD1 PHE A 119 -0.138 34.711 -2.019 1.00 2.25 H new ATOM 0 HD2 PHE A 119 -4.119 33.285 -1.495 1.00 43.22 H new ATOM 0 HE1 PHE A 119 -0.020 35.263 0.373 1.00 42.15 H new ATOM 0 HE2 PHE A 119 -4.004 33.836 0.895 1.00 3.43 H new ATOM 0 HZ PHE A 119 -1.953 34.822 1.836 1.00 45.34 H new ATOM 1851 N VAL A 120 -2.397 31.525 -5.456 1.00 10.12 N ATOM 1852 CA VAL A 120 -2.969 30.336 -6.076 1.00 41.24 C ATOM 1853 C VAL A 120 -1.876 29.390 -6.562 1.00 14.03 C ATOM 1854 O VAL A 120 -2.067 28.174 -6.602 1.00 31.10 O ATOM 1855 CB VAL A 120 -3.878 30.705 -7.264 1.00 10.02 C ATOM 1856 CG1 VAL A 120 -3.082 31.422 -8.344 1.00 21.14 C ATOM 1857 CG2 VAL A 120 -4.553 29.462 -7.824 1.00 22.01 C ATOM 0 H VAL A 120 -2.690 32.405 -5.881 1.00 10.12 H new ATOM 0 HA VAL A 120 -3.565 29.836 -5.313 1.00 41.24 H new ATOM 0 HB VAL A 120 -4.654 31.383 -6.908 1.00 10.02 H new ATOM 0 HG11 VAL A 120 -3.741 31.674 -9.175 1.00 21.14 H new ATOM 0 HG12 VAL A 120 -2.651 32.335 -7.933 1.00 21.14 H new ATOM 0 HG13 VAL A 120 -2.283 30.771 -8.700 1.00 21.14 H new ATOM 0 HG21 VAL A 120 -5.191 29.741 -8.662 1.00 22.01 H new ATOM 0 HG22 VAL A 120 -3.794 28.758 -8.165 1.00 22.01 H new ATOM 0 HG23 VAL A 120 -5.158 28.995 -7.047 1.00 22.01 H new ATOM 1867 N CYS A 121 -0.732 29.956 -6.929 1.00 20.44 N ATOM 1868 CA CYS A 121 0.392 29.162 -7.412 1.00 45.22 C ATOM 1869 C CYS A 121 1.061 28.411 -6.265 1.00 50.23 C ATOM 1870 O CYS A 121 1.636 27.341 -6.462 1.00 20.50 O ATOM 1871 CB CYS A 121 1.413 30.060 -8.113 1.00 51.13 C ATOM 1872 SG CYS A 121 1.123 30.263 -9.886 1.00 75.24 S ATOM 0 H CYS A 121 -0.558 30.961 -6.901 1.00 20.44 H new ATOM 0 HA CYS A 121 0.009 28.432 -8.125 1.00 45.22 H new ATOM 0 HB2 CYS A 121 1.403 31.042 -7.639 1.00 51.13 H new ATOM 0 HB3 CYS A 121 2.409 29.644 -7.964 1.00 51.13 H new ATOM 0 HG CYS A 121 0.514 31.391 -10.100 1.00 75.24 H new ATOM 1878 N VAL A 122 0.983 28.981 -5.067 1.00 32.43 N ATOM 1879 CA VAL A 122 1.581 28.366 -3.888 1.00 32.53 C ATOM 1880 C VAL A 122 0.816 27.114 -3.473 1.00 71.42 C ATOM 1881 O VAL A 122 1.365 26.012 -3.466 1.00 73.41 O ATOM 1882 CB VAL A 122 1.619 29.347 -2.701 1.00 62.12 C ATOM 1883 CG1 VAL A 122 1.880 28.602 -1.401 1.00 3.54 C ATOM 1884 CG2 VAL A 122 2.672 30.420 -2.932 1.00 24.03 C ATOM 0 H VAL A 122 0.512 29.868 -4.887 1.00 32.43 H new ATOM 0 HA VAL A 122 2.601 28.093 -4.157 1.00 32.53 H new ATOM 0 HB VAL A 122 0.647 29.835 -2.623 1.00 62.12 H new ATOM 0 HG11 VAL A 122 1.903 29.311 -0.574 1.00 3.54 H new ATOM 0 HG12 VAL A 122 1.086 27.874 -1.233 1.00 3.54 H new ATOM 0 HG13 VAL A 122 2.838 28.086 -1.464 1.00 3.54 H new ATOM 0 HG21 VAL A 122 2.686 31.105 -2.084 1.00 24.03 H new ATOM 0 HG22 VAL A 122 3.651 29.952 -3.037 1.00 24.03 H new ATOM 0 HG23 VAL A 122 2.435 30.973 -3.841 1.00 24.03 H new ATOM 1894 N PHE A 123 -0.455 27.291 -3.129 1.00 33.45 N ATOM 1895 CA PHE A 123 -1.297 26.175 -2.712 1.00 22.01 C ATOM 1896 C PHE A 123 -1.421 25.141 -3.827 1.00 53.34 C ATOM 1897 O PHE A 123 -1.627 23.956 -3.570 1.00 62.02 O ATOM 1898 CB PHE A 123 -2.685 26.678 -2.310 1.00 61.10 C ATOM 1899 CG PHE A 123 -2.663 27.641 -1.157 1.00 72.53 C ATOM 1900 CD1 PHE A 123 -2.642 27.178 0.149 1.00 63.35 C ATOM 1901 CD2 PHE A 123 -2.664 29.008 -1.379 1.00 43.15 C ATOM 1902 CE1 PHE A 123 -2.623 28.061 1.211 1.00 44.50 C ATOM 1903 CE2 PHE A 123 -2.644 29.897 -0.321 1.00 32.21 C ATOM 1904 CZ PHE A 123 -2.623 29.423 0.976 1.00 65.40 C ATOM 0 H PHE A 123 -0.925 28.196 -3.131 1.00 33.45 H new ATOM 0 HA PHE A 123 -0.827 25.700 -1.851 1.00 22.01 H new ATOM 0 HB2 PHE A 123 -3.150 27.162 -3.169 1.00 61.10 H new ATOM 0 HB3 PHE A 123 -3.310 25.824 -2.048 1.00 61.10 H new ATOM 0 HD1 PHE A 123 -2.640 26.115 0.339 1.00 63.35 H new ATOM 0 HD2 PHE A 123 -2.681 29.384 -2.391 1.00 43.15 H new ATOM 0 HE1 PHE A 123 -2.608 27.687 2.224 1.00 44.50 H new ATOM 0 HE2 PHE A 123 -2.645 30.961 -0.508 1.00 32.21 H new ATOM 0 HZ PHE A 123 -2.607 30.115 1.805 1.00 65.40 H new ATOM 1914 N GLY A 124 -1.296 25.601 -5.069 1.00 24.12 N ATOM 1915 CA GLY A 124 -1.398 24.704 -6.206 1.00 5.55 C ATOM 1916 C GLY A 124 -0.225 23.748 -6.296 1.00 74.43 C ATOM 1917 O GLY A 124 -0.405 22.529 -6.276 1.00 2.34 O ATOM 0 H GLY A 124 -1.126 26.578 -5.308 1.00 24.12 H new ATOM 0 HA2 GLY A 124 -2.324 24.133 -6.133 1.00 5.55 H new ATOM 0 HA3 GLY A 124 -1.457 25.290 -7.123 1.00 5.55 H new ATOM 1921 N THR A 125 0.980 24.299 -6.399 1.00 21.31 N ATOM 1922 CA THR A 125 2.186 23.486 -6.496 1.00 41.33 C ATOM 1923 C THR A 125 2.457 22.746 -5.192 1.00 21.23 C ATOM 1924 O THR A 125 2.608 21.524 -5.181 1.00 34.33 O ATOM 1925 CB THR A 125 3.415 24.345 -6.851 1.00 12.14 C ATOM 1926 OG1 THR A 125 3.514 25.454 -5.950 1.00 73.01 O ATOM 1927 CG2 THR A 125 3.325 24.854 -8.282 1.00 21.35 C ATOM 0 H THR A 125 1.147 25.305 -6.417 1.00 21.31 H new ATOM 0 HA THR A 125 2.016 22.762 -7.292 1.00 41.33 H new ATOM 0 HB THR A 125 4.305 23.722 -6.759 1.00 12.14 H new ATOM 0 HG1 THR A 125 2.843 26.128 -6.186 1.00 73.01 H new ATOM 0 HG21 THR A 125 4.204 25.458 -8.509 1.00 21.35 H new ATOM 0 HG22 THR A 125 3.279 24.007 -8.967 1.00 21.35 H new ATOM 0 HG23 THR A 125 2.428 25.462 -8.396 1.00 21.35 H new ATOM 1935 N ILE A 126 2.517 23.493 -4.094 1.00 62.44 N ATOM 1936 CA ILE A 126 2.768 22.905 -2.784 1.00 42.41 C ATOM 1937 C ILE A 126 1.694 21.885 -2.424 1.00 53.10 C ATOM 1938 O ILE A 126 1.965 20.896 -1.744 1.00 53.23 O ATOM 1939 CB ILE A 126 2.825 23.983 -1.686 1.00 3.53 C ATOM 1940 CG1 ILE A 126 4.039 24.892 -1.895 1.00 34.12 C ATOM 1941 CG2 ILE A 126 2.873 23.336 -0.310 1.00 34.21 C ATOM 1942 CD1 ILE A 126 5.363 24.174 -1.752 1.00 15.43 C ATOM 0 H ILE A 126 2.395 24.506 -4.086 1.00 62.44 H new ATOM 0 HA ILE A 126 3.735 22.405 -2.842 1.00 42.41 H new ATOM 0 HB ILE A 126 1.923 24.592 -1.749 1.00 3.53 H new ATOM 0 HG12 ILE A 126 3.982 25.338 -2.888 1.00 34.12 H new ATOM 0 HG13 ILE A 126 3.999 25.710 -1.175 1.00 34.12 H new ATOM 0 HG21 ILE A 126 2.913 24.111 0.455 1.00 34.21 H new ATOM 0 HG22 ILE A 126 1.981 22.727 -0.163 1.00 34.21 H new ATOM 0 HG23 ILE A 126 3.759 22.706 -0.235 1.00 34.21 H new ATOM 0 HD11 ILE A 126 6.179 24.879 -1.913 1.00 15.43 H new ATOM 0 HD12 ILE A 126 5.441 23.751 -0.750 1.00 15.43 H new ATOM 0 HD13 ILE A 126 5.424 23.374 -2.490 1.00 15.43 H new ATOM 1954 N GLY A 127 0.472 22.132 -2.887 1.00 32.03 N ATOM 1955 CA GLY A 127 -0.625 21.225 -2.605 1.00 15.03 C ATOM 1956 C GLY A 127 -0.352 19.815 -3.090 1.00 40.55 C ATOM 1957 O GLY A 127 -0.418 18.861 -2.316 1.00 53.31 O ATOM 0 H GLY A 127 0.223 22.944 -3.452 1.00 32.03 H new ATOM 0 HA2 GLY A 127 -0.810 21.207 -1.531 1.00 15.03 H new ATOM 0 HA3 GLY A 127 -1.533 21.599 -3.079 1.00 15.03 H new ATOM 1961 N MET A 128 -0.045 19.684 -4.377 1.00 33.41 N ATOM 1962 CA MET A 128 0.239 18.379 -4.965 1.00 15.54 C ATOM 1963 C MET A 128 1.662 17.936 -4.643 1.00 1.34 C ATOM 1964 O MET A 128 1.976 16.746 -4.680 1.00 13.22 O ATOM 1965 CB MET A 128 0.037 18.425 -6.480 1.00 75.44 C ATOM 1966 CG MET A 128 1.072 19.268 -7.207 1.00 32.03 C ATOM 1967 SD MET A 128 0.774 19.356 -8.983 1.00 23.41 S ATOM 1968 CE MET A 128 -0.368 20.733 -9.067 1.00 61.33 C ATOM 0 H MET A 128 0.013 20.464 -5.032 1.00 33.41 H new ATOM 0 HA MET A 128 -0.453 17.655 -4.535 1.00 15.54 H new ATOM 0 HB2 MET A 128 0.067 17.409 -6.873 1.00 75.44 H new ATOM 0 HB3 MET A 128 -0.956 18.820 -6.694 1.00 75.44 H new ATOM 0 HG2 MET A 128 1.070 20.276 -6.792 1.00 32.03 H new ATOM 0 HG3 MET A 128 2.064 18.852 -7.029 1.00 32.03 H new ATOM 0 HE1 MET A 128 -0.647 20.912 -10.105 1.00 61.33 H new ATOM 0 HE2 MET A 128 -1.261 20.501 -8.486 1.00 61.33 H new ATOM 0 HE3 MET A 128 0.108 21.625 -8.660 1.00 61.33 H new ATOM 1978 N PHE A 129 2.520 18.901 -4.327 1.00 63.40 N ATOM 1979 CA PHE A 129 3.911 18.609 -4.000 1.00 2.31 C ATOM 1980 C PHE A 129 4.040 18.118 -2.561 1.00 1.41 C ATOM 1981 O PHE A 129 5.076 17.581 -2.166 1.00 50.05 O ATOM 1982 CB PHE A 129 4.777 19.854 -4.206 1.00 20.05 C ATOM 1983 CG PHE A 129 6.251 19.581 -4.111 1.00 40.14 C ATOM 1984 CD1 PHE A 129 6.939 19.040 -5.186 1.00 33.54 C ATOM 1985 CD2 PHE A 129 6.949 19.867 -2.949 1.00 61.51 C ATOM 1986 CE1 PHE A 129 8.295 18.787 -5.101 1.00 72.31 C ATOM 1987 CE2 PHE A 129 8.305 19.616 -2.859 1.00 5.20 C ATOM 1988 CZ PHE A 129 8.979 19.077 -3.937 1.00 23.40 C ATOM 0 H PHE A 129 2.277 19.891 -4.291 1.00 63.40 H new ATOM 0 HA PHE A 129 4.257 17.819 -4.667 1.00 2.31 H new ATOM 0 HB2 PHE A 129 4.557 20.282 -5.184 1.00 20.05 H new ATOM 0 HB3 PHE A 129 4.506 20.603 -3.462 1.00 20.05 H new ATOM 0 HD1 PHE A 129 6.410 18.814 -6.100 1.00 33.54 H new ATOM 0 HD2 PHE A 129 6.427 20.291 -2.104 1.00 61.51 H new ATOM 0 HE1 PHE A 129 8.819 18.363 -5.944 1.00 72.31 H new ATOM 0 HE2 PHE A 129 8.837 19.841 -1.947 1.00 5.20 H new ATOM 0 HZ PHE A 129 10.039 18.883 -3.870 1.00 23.40 H new ATOM 1998 N LEU A 130 2.982 18.307 -1.781 1.00 14.22 N ATOM 1999 CA LEU A 130 2.975 17.885 -0.385 1.00 20.54 C ATOM 2000 C LEU A 130 2.488 16.445 -0.254 1.00 14.13 C ATOM 2001 O LEU A 130 2.553 15.854 0.824 1.00 73.13 O ATOM 2002 CB LEU A 130 2.087 18.813 0.446 1.00 42.23 C ATOM 2003 CG LEU A 130 2.062 18.549 1.952 1.00 63.44 C ATOM 2004 CD1 LEU A 130 2.458 19.800 2.720 1.00 64.21 C ATOM 2005 CD2 LEU A 130 0.686 18.067 2.386 1.00 55.32 C ATOM 0 H LEU A 130 2.117 18.750 -2.092 1.00 14.22 H new ATOM 0 HA LEU A 130 3.997 17.940 -0.010 1.00 20.54 H new ATOM 0 HB2 LEU A 130 2.416 19.839 0.283 1.00 42.23 H new ATOM 0 HB3 LEU A 130 1.067 18.741 0.068 1.00 42.23 H new ATOM 0 HG LEU A 130 2.786 17.766 2.176 1.00 63.44 H new ATOM 0 HD11 LEU A 130 2.434 19.593 3.790 1.00 64.21 H new ATOM 0 HD12 LEU A 130 3.465 20.101 2.431 1.00 64.21 H new ATOM 0 HD13 LEU A 130 1.759 20.604 2.491 1.00 64.21 H new ATOM 0 HD21 LEU A 130 0.687 17.884 3.461 1.00 55.32 H new ATOM 0 HD22 LEU A 130 -0.058 18.827 2.148 1.00 55.32 H new ATOM 0 HD23 LEU A 130 0.442 17.144 1.861 1.00 55.32 H new