USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 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 Set 1.1: A 22 THR OG1 : rot 180:sc= 0.0246 USER MOD Set 1.2: A 121 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: A 125 THR OG1 : rot 86:sc= 0.883 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 13 ASN : amide:sc=-0.00738 X(o=-0.0074,f=-0.29) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -72:sc= 0.817 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -155:sc= -0.663 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 79:sc= 0.389 USER MOD Single : A 42 CYS SG : rot 0:sc= 0.161 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -14:sc= 0.765 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.454 USER MOD Single : A 78 MET CE :methyl -178:sc= 0 (180deg=-0.00348) USER MOD Single : A 82 THR OG1 : rot 85:sc= 1.3 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 78:sc= 0.736 USER MOD Single : A 88 SER OG : rot 64:sc= 0.869 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 152:sc= -0.163 (180deg=-0.775) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 5.611 4.858 -9.369 1.00 21.11 N ATOM 56 CA GLU A 6 6.421 4.989 -10.574 1.00 71.34 C ATOM 57 C GLU A 6 6.064 6.263 -11.334 1.00 1.20 C ATOM 58 O GLU A 6 6.906 7.129 -11.574 1.00 14.21 O ATOM 59 CB GLU A 6 6.227 3.771 -11.480 1.00 61.13 C ATOM 60 CG GLU A 6 6.340 4.090 -12.962 1.00 15.14 C ATOM 61 CD GLU A 6 6.490 2.847 -13.817 1.00 21.25 C ATOM 62 OE1 GLU A 6 7.343 1.998 -13.485 1.00 22.44 O ATOM 63 OE2 GLU A 6 5.754 2.723 -14.818 1.00 11.51 O ATOM 0 HA GLU A 6 7.467 5.047 -10.273 1.00 71.34 H new ATOM 0 HB2 GLU A 6 6.969 3.015 -11.222 1.00 61.13 H new ATOM 0 HB3 GLU A 6 5.247 3.336 -11.284 1.00 61.13 H new ATOM 0 HG2 GLU A 6 5.454 4.640 -13.280 1.00 15.14 H new ATOM 0 HG3 GLU A 6 7.197 4.744 -13.125 1.00 15.14 H new ATOM 70 N PRO A 7 4.786 6.382 -11.722 1.00 73.45 N ATOM 71 CA PRO A 7 4.287 7.546 -12.460 1.00 43.05 C ATOM 72 C PRO A 7 4.244 8.803 -11.599 1.00 4.50 C ATOM 73 O PRO A 7 4.221 9.922 -12.115 1.00 74.42 O ATOM 74 CB PRO A 7 2.872 7.129 -12.868 1.00 61.51 C ATOM 75 CG PRO A 7 2.469 6.115 -11.853 1.00 11.51 C ATOM 76 CD PRO A 7 3.728 5.388 -11.471 1.00 3.22 C ATOM 0 HA PRO A 7 4.930 7.800 -13.302 1.00 43.05 H new ATOM 0 HB2 PRO A 7 2.192 7.981 -12.868 1.00 61.51 H new ATOM 0 HB3 PRO A 7 2.857 6.710 -13.874 1.00 61.51 H new ATOM 0 HG2 PRO A 7 2.015 6.592 -10.984 1.00 11.51 H new ATOM 0 HG3 PRO A 7 1.730 5.426 -12.262 1.00 11.51 H new ATOM 0 HD2 PRO A 7 3.710 5.075 -10.427 1.00 3.22 H new ATOM 0 HD3 PRO A 7 3.871 4.489 -12.071 1.00 3.22 H new ATOM 84 N LEU A 8 4.235 8.614 -10.284 1.00 41.02 N ATOM 85 CA LEU A 8 4.196 9.734 -9.350 1.00 74.11 C ATOM 86 C LEU A 8 5.526 10.480 -9.338 1.00 20.12 C ATOM 87 O LEU A 8 5.607 11.619 -8.878 1.00 12.03 O ATOM 88 CB LEU A 8 3.863 9.238 -7.942 1.00 23.51 C ATOM 89 CG LEU A 8 2.800 10.032 -7.184 1.00 14.43 C ATOM 90 CD1 LEU A 8 3.232 11.481 -7.019 1.00 51.15 C ATOM 91 CD2 LEU A 8 1.460 9.952 -7.902 1.00 25.50 C ATOM 0 H LEU A 8 4.254 7.696 -9.840 1.00 41.02 H new ATOM 0 HA LEU A 8 3.418 10.423 -9.679 1.00 74.11 H new ATOM 0 HB2 LEU A 8 3.532 8.202 -8.012 1.00 23.51 H new ATOM 0 HB3 LEU A 8 4.779 9.241 -7.352 1.00 23.51 H new ATOM 0 HG LEU A 8 2.685 9.593 -6.193 1.00 14.43 H new ATOM 0 HD11 LEU A 8 2.462 12.031 -6.477 1.00 51.15 H new ATOM 0 HD12 LEU A 8 4.167 11.520 -6.461 1.00 51.15 H new ATOM 0 HD13 LEU A 8 3.376 11.932 -8.001 1.00 51.15 H new ATOM 0 HD21 LEU A 8 0.715 10.523 -7.348 1.00 25.50 H new ATOM 0 HD22 LEU A 8 1.560 10.364 -8.906 1.00 25.50 H new ATOM 0 HD23 LEU A 8 1.144 8.911 -7.967 1.00 25.50 H new ATOM 103 N PHE A 9 6.567 9.831 -9.848 1.00 62.24 N ATOM 104 CA PHE A 9 7.894 10.433 -9.898 1.00 4.05 C ATOM 105 C PHE A 9 8.001 11.421 -11.055 1.00 54.42 C ATOM 106 O PHE A 9 8.807 12.351 -11.020 1.00 1.10 O ATOM 107 CB PHE A 9 8.965 9.349 -10.038 1.00 32.31 C ATOM 108 CG PHE A 9 9.730 9.094 -8.771 1.00 11.12 C ATOM 109 CD1 PHE A 9 9.073 8.703 -7.616 1.00 35.24 C ATOM 110 CD2 PHE A 9 11.107 9.247 -8.735 1.00 34.43 C ATOM 111 CE1 PHE A 9 9.774 8.467 -6.448 1.00 13.21 C ATOM 112 CE2 PHE A 9 11.813 9.012 -7.570 1.00 40.12 C ATOM 113 CZ PHE A 9 11.146 8.623 -6.425 1.00 53.21 C ATOM 0 H PHE A 9 6.517 8.888 -10.233 1.00 62.24 H new ATOM 0 HA PHE A 9 8.054 10.974 -8.966 1.00 4.05 H new ATOM 0 HB2 PHE A 9 8.492 8.421 -10.360 1.00 32.31 H new ATOM 0 HB3 PHE A 9 9.664 9.639 -10.823 1.00 32.31 H new ATOM 0 HD1 PHE A 9 8.000 8.581 -7.628 1.00 35.24 H new ATOM 0 HD2 PHE A 9 11.634 9.553 -9.627 1.00 34.43 H new ATOM 0 HE1 PHE A 9 9.249 8.161 -5.555 1.00 13.21 H new ATOM 0 HE2 PHE A 9 12.886 9.133 -7.555 1.00 40.12 H new ATOM 0 HZ PHE A 9 11.696 8.441 -5.514 1.00 53.21 H new ATOM 123 N TYR A 10 7.182 11.213 -12.080 1.00 34.10 N ATOM 124 CA TYR A 10 7.185 12.083 -13.250 1.00 72.21 C ATOM 125 C TYR A 10 6.694 13.482 -12.890 1.00 75.33 C ATOM 126 O TYR A 10 7.394 14.473 -13.100 1.00 23.45 O ATOM 127 CB TYR A 10 6.308 11.490 -14.354 1.00 54.44 C ATOM 128 CG TYR A 10 5.656 12.533 -15.235 1.00 20.23 C ATOM 129 CD1 TYR A 10 6.418 13.337 -16.074 1.00 23.44 C ATOM 130 CD2 TYR A 10 4.279 12.715 -15.227 1.00 73.20 C ATOM 131 CE1 TYR A 10 5.828 14.291 -16.879 1.00 75.23 C ATOM 132 CE2 TYR A 10 3.679 13.665 -16.030 1.00 43.43 C ATOM 133 CZ TYR A 10 4.458 14.451 -16.854 1.00 52.04 C ATOM 134 OH TYR A 10 3.865 15.400 -17.655 1.00 54.11 O ATOM 0 H TYR A 10 6.507 10.449 -12.124 1.00 34.10 H new ATOM 0 HA TYR A 10 8.210 12.160 -13.612 1.00 72.21 H new ATOM 0 HB2 TYR A 10 6.915 10.831 -14.974 1.00 54.44 H new ATOM 0 HB3 TYR A 10 5.532 10.874 -13.899 1.00 54.44 H new ATOM 0 HD1 TYR A 10 7.491 13.213 -16.097 1.00 23.44 H new ATOM 0 HD2 TYR A 10 3.667 12.103 -14.581 1.00 73.20 H new ATOM 0 HE1 TYR A 10 6.435 14.908 -17.524 1.00 75.23 H new ATOM 0 HE2 TYR A 10 2.607 13.792 -16.013 1.00 43.43 H new ATOM 0 HH TYR A 10 2.895 15.383 -17.519 1.00 54.11 H new ATOM 144 N THR A 11 5.483 13.555 -12.346 1.00 74.14 N ATOM 145 CA THR A 11 4.895 14.831 -11.957 1.00 63.33 C ATOM 146 C THR A 11 5.833 15.612 -11.045 1.00 5.23 C ATOM 147 O THR A 11 5.956 16.832 -11.163 1.00 33.24 O ATOM 148 CB THR A 11 3.547 14.633 -11.240 1.00 74.11 C ATOM 149 OG1 THR A 11 3.061 15.889 -10.754 1.00 5.33 O ATOM 150 CG2 THR A 11 3.687 13.656 -10.083 1.00 23.41 C ATOM 0 H THR A 11 4.890 12.745 -12.165 1.00 74.14 H new ATOM 0 HA THR A 11 4.730 15.396 -12.874 1.00 63.33 H new ATOM 0 HB THR A 11 2.837 14.222 -11.957 1.00 74.11 H new ATOM 0 HG1 THR A 11 2.203 15.754 -10.301 1.00 5.33 H new ATOM 0 HG21 THR A 11 2.722 13.533 -9.592 1.00 23.41 H new ATOM 0 HG22 THR A 11 4.028 12.692 -10.460 1.00 23.41 H new ATOM 0 HG23 THR A 11 4.412 14.042 -9.366 1.00 23.41 H new ATOM 158 N ILE A 12 6.494 14.903 -10.136 1.00 22.10 N ATOM 159 CA ILE A 12 7.423 15.531 -9.205 1.00 11.14 C ATOM 160 C ILE A 12 8.557 16.230 -9.947 1.00 21.13 C ATOM 161 O ILE A 12 8.910 17.366 -9.633 1.00 62.22 O ATOM 162 CB ILE A 12 8.021 14.503 -8.227 1.00 23.34 C ATOM 163 CG1 ILE A 12 6.933 13.952 -7.302 1.00 42.34 C ATOM 164 CG2 ILE A 12 9.143 15.134 -7.416 1.00 24.42 C ATOM 165 CD1 ILE A 12 7.293 12.628 -6.667 1.00 24.22 C ATOM 0 H ILE A 12 6.403 13.893 -10.025 1.00 22.10 H new ATOM 0 HA ILE A 12 6.853 16.269 -8.640 1.00 11.14 H new ATOM 0 HB ILE A 12 8.435 13.675 -8.802 1.00 23.34 H new ATOM 0 HG12 ILE A 12 6.733 14.680 -6.516 1.00 42.34 H new ATOM 0 HG13 ILE A 12 6.010 13.834 -7.870 1.00 42.34 H new ATOM 0 HG21 ILE A 12 9.556 14.395 -6.729 1.00 24.42 H new ATOM 0 HG22 ILE A 12 9.927 15.482 -8.089 1.00 24.42 H new ATOM 0 HG23 ILE A 12 8.751 15.978 -6.848 1.00 24.42 H new ATOM 0 HD11 ILE A 12 6.476 12.298 -6.025 1.00 24.22 H new ATOM 0 HD12 ILE A 12 7.464 11.885 -7.446 1.00 24.22 H new ATOM 0 HD13 ILE A 12 8.198 12.744 -6.071 1.00 24.22 H new ATOM 177 N ASN A 13 9.123 15.543 -10.934 1.00 31.23 N ATOM 178 CA ASN A 13 10.217 16.098 -11.722 1.00 51.13 C ATOM 179 C ASN A 13 9.737 17.275 -12.566 1.00 74.10 C ATOM 180 O ASN A 13 10.541 18.047 -13.089 1.00 51.33 O ATOM 181 CB ASN A 13 10.820 15.021 -12.626 1.00 31.30 C ATOM 182 CG ASN A 13 11.723 14.068 -11.867 1.00 4.44 C ATOM 183 OD1 ASN A 13 12.599 14.494 -11.113 1.00 60.21 O ATOM 184 ND2 ASN A 13 11.514 12.772 -12.063 1.00 21.34 N ATOM 0 H ASN A 13 8.842 14.601 -11.207 1.00 31.23 H new ATOM 0 HA ASN A 13 10.982 16.455 -11.033 1.00 51.13 H new ATOM 0 HB2 ASN A 13 10.017 14.457 -13.100 1.00 31.30 H new ATOM 0 HB3 ASN A 13 11.389 15.497 -13.425 1.00 31.30 H new ATOM 0 HD21 ASN A 13 12.091 12.084 -11.580 1.00 21.34 H new ATOM 0 HD22 ASN A 13 10.777 12.465 -12.697 1.00 21.34 H new ATOM 191 N LEU A 14 8.421 17.406 -12.694 1.00 12.14 N ATOM 192 CA LEU A 14 7.832 18.489 -13.473 1.00 51.43 C ATOM 193 C LEU A 14 7.619 19.729 -12.610 1.00 20.54 C ATOM 194 O LEU A 14 7.552 20.848 -13.119 1.00 31.33 O ATOM 195 CB LEU A 14 6.501 18.042 -14.080 1.00 40.14 C ATOM 196 CG LEU A 14 6.409 18.091 -15.606 1.00 0.40 C ATOM 197 CD1 LEU A 14 6.578 19.518 -16.105 1.00 63.11 C ATOM 198 CD2 LEU A 14 7.452 17.178 -16.233 1.00 31.30 C ATOM 0 H LEU A 14 7.742 16.775 -12.268 1.00 12.14 H new ATOM 0 HA LEU A 14 8.524 18.743 -14.276 1.00 51.43 H new ATOM 0 HB2 LEU A 14 6.302 17.020 -13.757 1.00 40.14 H new ATOM 0 HB3 LEU A 14 5.709 18.667 -13.668 1.00 40.14 H new ATOM 0 HG LEU A 14 5.421 17.738 -15.903 1.00 0.40 H new ATOM 0 HD11 LEU A 14 6.510 19.534 -17.193 1.00 63.11 H new ATOM 0 HD12 LEU A 14 5.794 20.146 -15.683 1.00 63.11 H new ATOM 0 HD13 LEU A 14 7.552 19.898 -15.797 1.00 63.11 H new ATOM 0 HD21 LEU A 14 7.372 17.226 -17.319 1.00 31.30 H new ATOM 0 HD22 LEU A 14 8.448 17.500 -15.928 1.00 31.30 H new ATOM 0 HD23 LEU A 14 7.285 16.153 -15.902 1.00 31.30 H new ATOM 210 N ILE A 15 7.516 19.521 -11.301 1.00 72.23 N ATOM 211 CA ILE A 15 7.314 20.621 -10.367 1.00 42.42 C ATOM 212 C ILE A 15 8.624 21.351 -10.086 1.00 75.21 C ATOM 213 O ILE A 15 8.634 22.560 -9.853 1.00 24.23 O ATOM 214 CB ILE A 15 6.719 20.128 -9.036 1.00 35.34 C ATOM 215 CG1 ILE A 15 5.212 19.902 -9.178 1.00 51.02 C ATOM 216 CG2 ILE A 15 7.007 21.125 -7.924 1.00 2.41 C ATOM 217 CD1 ILE A 15 4.801 18.454 -9.029 1.00 20.12 C ATOM 0 H ILE A 15 7.569 18.601 -10.864 1.00 72.23 H new ATOM 0 HA ILE A 15 6.611 21.308 -10.837 1.00 42.42 H new ATOM 0 HB ILE A 15 7.188 19.179 -8.776 1.00 35.34 H new ATOM 0 HG12 ILE A 15 4.691 20.498 -8.428 1.00 51.02 H new ATOM 0 HG13 ILE A 15 4.889 20.264 -10.154 1.00 51.02 H new ATOM 0 HG21 ILE A 15 6.579 20.761 -6.990 1.00 2.41 H new ATOM 0 HG22 ILE A 15 8.085 21.241 -7.809 1.00 2.41 H new ATOM 0 HG23 ILE A 15 6.563 22.088 -8.175 1.00 2.41 H new ATOM 0 HD11 ILE A 15 3.720 18.369 -9.141 1.00 20.12 H new ATOM 0 HD12 ILE A 15 5.294 17.855 -9.795 1.00 20.12 H new ATOM 0 HD13 ILE A 15 5.093 18.093 -8.043 1.00 20.12 H new ATOM 229 N ILE A 16 9.725 20.608 -10.112 1.00 2.42 N ATOM 230 CA ILE A 16 11.040 21.185 -9.863 1.00 4.22 C ATOM 231 C ILE A 16 11.285 22.400 -10.752 1.00 22.14 C ATOM 232 O ILE A 16 11.550 23.504 -10.277 1.00 2.44 O ATOM 233 CB ILE A 16 12.161 20.155 -10.100 1.00 52.40 C ATOM 234 CG1 ILE A 16 12.450 19.378 -8.814 1.00 12.40 C ATOM 235 CG2 ILE A 16 13.419 20.848 -10.601 1.00 44.00 C ATOM 236 CD1 ILE A 16 12.876 17.947 -9.056 1.00 14.25 C ATOM 0 H ILE A 16 9.733 19.606 -10.303 1.00 2.42 H new ATOM 0 HA ILE A 16 11.056 21.494 -8.818 1.00 4.22 H new ATOM 0 HB ILE A 16 11.831 19.449 -10.862 1.00 52.40 H new ATOM 0 HG12 ILE A 16 13.233 19.892 -8.256 1.00 12.40 H new ATOM 0 HG13 ILE A 16 11.558 19.382 -8.188 1.00 12.40 H new ATOM 0 HG21 ILE A 16 14.202 20.107 -10.764 1.00 44.00 H new ATOM 0 HG22 ILE A 16 13.203 21.360 -11.539 1.00 44.00 H new ATOM 0 HG23 ILE A 16 13.754 21.574 -9.860 1.00 44.00 H new ATOM 0 HD11 ILE A 16 13.064 17.457 -8.101 1.00 14.25 H new ATOM 0 HD12 ILE A 16 12.085 17.417 -9.586 1.00 14.25 H new ATOM 0 HD13 ILE A 16 13.786 17.935 -9.656 1.00 14.25 H new ATOM 248 N PRO A 17 11.193 22.194 -12.074 1.00 23.32 N ATOM 249 CA PRO A 17 11.399 23.261 -13.058 1.00 30.15 C ATOM 250 C PRO A 17 10.274 24.290 -13.041 1.00 34.34 C ATOM 251 O PRO A 17 10.505 25.480 -13.257 1.00 33.02 O ATOM 252 CB PRO A 17 11.420 22.513 -14.393 1.00 12.10 C ATOM 253 CG PRO A 17 10.630 21.274 -14.146 1.00 4.13 C ATOM 254 CD PRO A 17 10.881 20.903 -12.710 1.00 52.12 C ATOM 0 HA PRO A 17 12.307 23.830 -12.859 1.00 30.15 H new ATOM 0 HB2 PRO A 17 10.978 23.112 -15.189 1.00 12.10 H new ATOM 0 HB3 PRO A 17 12.439 22.278 -14.699 1.00 12.10 H new ATOM 0 HG2 PRO A 17 9.569 21.446 -14.325 1.00 4.13 H new ATOM 0 HG3 PRO A 17 10.941 20.473 -14.816 1.00 4.13 H new ATOM 0 HD2 PRO A 17 10.008 20.433 -12.258 1.00 52.12 H new ATOM 0 HD3 PRO A 17 11.707 20.198 -12.615 1.00 52.12 H new ATOM 262 N CYS A 18 9.057 23.824 -12.782 1.00 53.14 N ATOM 263 CA CYS A 18 7.895 24.705 -12.738 1.00 33.33 C ATOM 264 C CYS A 18 8.128 25.864 -11.774 1.00 73.21 C ATOM 265 O CYS A 18 8.036 27.031 -12.156 1.00 62.51 O ATOM 266 CB CYS A 18 6.650 23.920 -12.320 1.00 2.35 C ATOM 267 SG CYS A 18 5.351 24.937 -11.579 1.00 71.15 S ATOM 0 H CYS A 18 8.849 22.842 -12.599 1.00 53.14 H new ATOM 0 HA CYS A 18 7.740 25.113 -13.737 1.00 33.33 H new ATOM 0 HB2 CYS A 18 6.244 23.411 -13.194 1.00 2.35 H new ATOM 0 HB3 CYS A 18 6.942 23.148 -11.609 1.00 2.35 H new ATOM 0 HG CYS A 18 4.340 24.185 -11.261 1.00 71.15 H new ATOM 273 N VAL A 19 8.428 25.534 -10.522 1.00 12.32 N ATOM 274 CA VAL A 19 8.673 26.548 -9.503 1.00 23.44 C ATOM 275 C VAL A 19 9.885 27.402 -9.857 1.00 63.43 C ATOM 276 O VAL A 19 9.868 28.622 -9.694 1.00 53.44 O ATOM 277 CB VAL A 19 8.896 25.909 -8.119 1.00 1.33 C ATOM 278 CG1 VAL A 19 8.954 26.980 -7.040 1.00 24.13 C ATOM 279 CG2 VAL A 19 7.802 24.896 -7.817 1.00 41.14 C ATOM 0 H VAL A 19 8.507 24.573 -10.189 1.00 12.32 H new ATOM 0 HA VAL A 19 7.786 27.180 -9.465 1.00 23.44 H new ATOM 0 HB VAL A 19 9.852 25.385 -8.130 1.00 1.33 H new ATOM 0 HG11 VAL A 19 9.112 26.510 -6.069 1.00 24.13 H new ATOM 0 HG12 VAL A 19 9.776 27.664 -7.250 1.00 24.13 H new ATOM 0 HG13 VAL A 19 8.015 27.534 -7.026 1.00 24.13 H new ATOM 0 HG21 VAL A 19 7.976 24.455 -6.836 1.00 41.14 H new ATOM 0 HG22 VAL A 19 6.833 25.394 -7.824 1.00 41.14 H new ATOM 0 HG23 VAL A 19 7.813 24.112 -8.574 1.00 41.14 H new ATOM 289 N LEU A 20 10.937 26.752 -10.344 1.00 4.55 N ATOM 290 CA LEU A 20 12.160 27.452 -10.723 1.00 10.23 C ATOM 291 C LEU A 20 11.874 28.516 -11.777 1.00 54.52 C ATOM 292 O LEU A 20 12.347 29.649 -11.675 1.00 62.51 O ATOM 293 CB LEU A 20 13.196 26.459 -11.252 1.00 41.22 C ATOM 294 CG LEU A 20 14.559 26.477 -10.559 1.00 12.51 C ATOM 295 CD1 LEU A 20 15.514 25.505 -11.234 1.00 1.53 C ATOM 296 CD2 LEU A 20 15.138 27.885 -10.559 1.00 24.51 C ATOM 0 H LEU A 20 10.968 25.742 -10.486 1.00 4.55 H new ATOM 0 HA LEU A 20 12.558 27.944 -9.835 1.00 10.23 H new ATOM 0 HB2 LEU A 20 12.782 25.454 -11.169 1.00 41.22 H new ATOM 0 HB3 LEU A 20 13.348 26.654 -12.314 1.00 41.22 H new ATOM 0 HG LEU A 20 14.424 26.161 -9.525 1.00 12.51 H new ATOM 0 HD11 LEU A 20 16.479 25.532 -10.727 1.00 1.53 H new ATOM 0 HD12 LEU A 20 15.104 24.496 -11.181 1.00 1.53 H new ATOM 0 HD13 LEU A 20 15.645 25.789 -12.278 1.00 1.53 H new ATOM 0 HD21 LEU A 20 16.108 27.880 -10.062 1.00 24.51 H new ATOM 0 HD22 LEU A 20 15.259 28.229 -11.586 1.00 24.51 H new ATOM 0 HD23 LEU A 20 14.462 28.556 -10.029 1.00 24.51 H new ATOM 308 N ILE A 21 11.094 28.146 -12.788 1.00 5.03 N ATOM 309 CA ILE A 21 10.742 29.070 -13.859 1.00 24.12 C ATOM 310 C ILE A 21 10.163 30.365 -13.299 1.00 61.24 C ATOM 311 O ILE A 21 10.598 31.460 -13.658 1.00 64.53 O ATOM 312 CB ILE A 21 9.725 28.444 -14.831 1.00 24.50 C ATOM 313 CG1 ILE A 21 10.428 27.476 -15.785 1.00 63.22 C ATOM 314 CG2 ILE A 21 8.999 29.530 -15.610 1.00 32.21 C ATOM 315 CD1 ILE A 21 9.628 26.226 -16.076 1.00 71.30 C ATOM 0 H ILE A 21 10.694 27.213 -12.887 1.00 5.03 H new ATOM 0 HA ILE A 21 11.662 29.290 -14.401 1.00 24.12 H new ATOM 0 HB ILE A 21 8.989 27.885 -14.253 1.00 24.50 H new ATOM 0 HG12 ILE A 21 10.637 27.991 -16.723 1.00 63.22 H new ATOM 0 HG13 ILE A 21 11.389 27.191 -15.357 1.00 63.22 H new ATOM 0 HG21 ILE A 21 8.284 29.072 -16.293 1.00 32.21 H new ATOM 0 HG22 ILE A 21 8.471 30.184 -14.916 1.00 32.21 H new ATOM 0 HG23 ILE A 21 9.722 30.114 -16.180 1.00 32.21 H new ATOM 0 HD11 ILE A 21 10.188 25.587 -16.759 1.00 71.30 H new ATOM 0 HD12 ILE A 21 9.442 25.689 -15.146 1.00 71.30 H new ATOM 0 HD13 ILE A 21 8.677 26.501 -16.533 1.00 71.30 H new ATOM 327 N THR A 22 9.179 30.233 -12.416 1.00 15.23 N ATOM 328 CA THR A 22 8.539 31.392 -11.805 1.00 44.13 C ATOM 329 C THR A 22 9.566 32.294 -11.130 1.00 42.45 C ATOM 330 O THR A 22 9.534 33.515 -11.289 1.00 35.33 O ATOM 331 CB THR A 22 7.483 30.969 -10.767 1.00 2.21 C ATOM 332 OG1 THR A 22 6.789 29.802 -11.222 1.00 13.52 O ATOM 333 CG2 THR A 22 6.489 32.093 -10.518 1.00 75.02 C ATOM 0 H THR A 22 8.807 29.335 -12.107 1.00 15.23 H new ATOM 0 HA THR A 22 8.048 31.942 -12.608 1.00 44.13 H new ATOM 0 HB THR A 22 7.994 30.744 -9.831 1.00 2.21 H new ATOM 0 HG1 THR A 22 6.120 29.538 -10.556 1.00 13.52 H new ATOM 0 HG21 THR A 22 5.753 31.771 -9.781 1.00 75.02 H new ATOM 0 HG22 THR A 22 7.017 32.970 -10.144 1.00 75.02 H new ATOM 0 HG23 THR A 22 5.983 32.345 -11.450 1.00 75.02 H new ATOM 341 N SER A 23 10.478 31.686 -10.378 1.00 14.41 N ATOM 342 CA SER A 23 11.513 32.436 -9.676 1.00 71.00 C ATOM 343 C SER A 23 12.291 33.323 -10.643 1.00 65.10 C ATOM 344 O SER A 23 12.603 34.474 -10.335 1.00 14.22 O ATOM 345 CB SER A 23 12.469 31.479 -8.961 1.00 41.22 C ATOM 346 OG SER A 23 13.625 31.235 -9.743 1.00 44.22 O ATOM 0 H SER A 23 10.521 30.676 -10.239 1.00 14.41 H new ATOM 0 HA SER A 23 11.028 33.073 -8.937 1.00 71.00 H new ATOM 0 HB2 SER A 23 12.759 31.901 -7.999 1.00 41.22 H new ATOM 0 HB3 SER A 23 11.960 30.537 -8.755 1.00 41.22 H new ATOM 0 HG SER A 23 13.389 30.670 -10.508 1.00 44.22 H new ATOM 352 N LEU A 24 12.603 32.779 -11.814 1.00 64.21 N ATOM 353 CA LEU A 24 13.346 33.519 -12.828 1.00 51.32 C ATOM 354 C LEU A 24 12.671 34.853 -13.131 1.00 42.34 C ATOM 355 O LEU A 24 13.287 35.912 -13.014 1.00 50.33 O ATOM 356 CB LEU A 24 13.463 32.691 -14.109 1.00 51.31 C ATOM 357 CG LEU A 24 14.125 31.321 -13.964 1.00 61.41 C ATOM 358 CD1 LEU A 24 14.413 30.720 -15.331 1.00 65.11 C ATOM 359 CD2 LEU A 24 15.404 31.430 -13.147 1.00 1.11 C ATOM 0 H LEU A 24 12.353 31.828 -12.085 1.00 64.21 H new ATOM 0 HA LEU A 24 14.345 33.718 -12.439 1.00 51.32 H new ATOM 0 HB2 LEU A 24 12.463 32.548 -14.518 1.00 51.31 H new ATOM 0 HB3 LEU A 24 14.027 33.269 -14.841 1.00 51.31 H new ATOM 0 HG LEU A 24 13.437 30.660 -13.437 1.00 61.41 H new ATOM 0 HD11 LEU A 24 14.884 29.745 -15.208 1.00 65.11 H new ATOM 0 HD12 LEU A 24 13.480 30.605 -15.882 1.00 65.11 H new ATOM 0 HD13 LEU A 24 15.082 31.379 -15.885 1.00 65.11 H new ATOM 0 HD21 LEU A 24 15.862 30.445 -13.054 1.00 1.11 H new ATOM 0 HD22 LEU A 24 16.098 32.107 -13.646 1.00 1.11 H new ATOM 0 HD23 LEU A 24 15.170 31.816 -12.155 1.00 1.11 H new ATOM 371 N ALA A 25 11.402 34.794 -13.520 1.00 34.34 N ATOM 372 CA ALA A 25 10.642 35.997 -13.835 1.00 50.03 C ATOM 373 C ALA A 25 10.684 36.992 -12.680 1.00 70.41 C ATOM 374 O ALA A 25 10.820 38.197 -12.891 1.00 52.04 O ATOM 375 CB ALA A 25 9.202 35.639 -14.174 1.00 25.22 C ATOM 0 H ALA A 25 10.878 33.925 -13.625 1.00 34.34 H new ATOM 0 HA ALA A 25 11.101 36.469 -14.703 1.00 50.03 H new ATOM 0 HB1 ALA A 25 8.646 36.547 -14.407 1.00 25.22 H new ATOM 0 HB2 ALA A 25 9.186 34.973 -15.036 1.00 25.22 H new ATOM 0 HB3 ALA A 25 8.741 35.140 -13.322 1.00 25.22 H new ATOM 381 N ILE A 26 10.566 36.479 -11.460 1.00 11.21 N ATOM 382 CA ILE A 26 10.591 37.323 -10.272 1.00 11.32 C ATOM 383 C ILE A 26 11.954 37.983 -10.095 1.00 2.30 C ATOM 384 O ILE A 26 12.049 39.130 -9.655 1.00 32.23 O ATOM 385 CB ILE A 26 10.254 36.519 -9.002 1.00 61.24 C ATOM 386 CG1 ILE A 26 8.829 35.967 -9.085 1.00 2.31 C ATOM 387 CG2 ILE A 26 10.421 37.388 -7.765 1.00 33.32 C ATOM 388 CD1 ILE A 26 8.596 34.762 -8.202 1.00 31.42 C ATOM 0 H ILE A 26 10.452 35.484 -11.268 1.00 11.21 H new ATOM 0 HA ILE A 26 9.833 38.093 -10.417 1.00 11.32 H new ATOM 0 HB ILE A 26 10.945 35.679 -8.927 1.00 61.24 H new ATOM 0 HG12 ILE A 26 8.127 36.753 -8.806 1.00 2.31 H new ATOM 0 HG13 ILE A 26 8.612 35.697 -10.119 1.00 2.31 H new ATOM 0 HG21 ILE A 26 10.179 36.806 -6.876 1.00 33.32 H new ATOM 0 HG22 ILE A 26 11.452 37.736 -7.701 1.00 33.32 H new ATOM 0 HG23 ILE A 26 9.752 38.246 -7.830 1.00 33.32 H new ATOM 0 HD11 ILE A 26 7.565 34.424 -8.312 1.00 31.42 H new ATOM 0 HD12 ILE A 26 9.274 33.960 -8.495 1.00 31.42 H new ATOM 0 HD13 ILE A 26 8.781 35.032 -7.162 1.00 31.42 H new ATOM 400 N LEU A 27 13.008 37.253 -10.442 1.00 42.25 N ATOM 401 CA LEU A 27 14.368 37.768 -10.324 1.00 60.03 C ATOM 402 C LEU A 27 14.580 38.962 -11.249 1.00 4.41 C ATOM 403 O LEU A 27 15.160 39.973 -10.851 1.00 54.44 O ATOM 404 CB LEU A 27 15.381 36.669 -10.651 1.00 54.13 C ATOM 405 CG LEU A 27 16.305 36.247 -9.509 1.00 23.00 C ATOM 406 CD1 LEU A 27 15.871 34.906 -8.938 1.00 71.13 C ATOM 407 CD2 LEU A 27 17.749 36.183 -9.987 1.00 74.11 C ATOM 0 H LEU A 27 12.947 36.303 -10.807 1.00 42.25 H new ATOM 0 HA LEU A 27 14.518 38.097 -9.296 1.00 60.03 H new ATOM 0 HB2 LEU A 27 14.835 35.790 -10.994 1.00 54.13 H new ATOM 0 HB3 LEU A 27 15.997 37.007 -11.484 1.00 54.13 H new ATOM 0 HG LEU A 27 16.237 36.994 -8.718 1.00 23.00 H new ATOM 0 HD11 LEU A 27 16.541 34.622 -8.126 1.00 71.13 H new ATOM 0 HD12 LEU A 27 14.853 34.985 -8.557 1.00 71.13 H new ATOM 0 HD13 LEU A 27 15.908 34.148 -9.721 1.00 71.13 H new ATOM 0 HD21 LEU A 27 18.393 35.881 -9.161 1.00 74.11 H new ATOM 0 HD22 LEU A 27 17.833 35.457 -10.796 1.00 74.11 H new ATOM 0 HD23 LEU A 27 18.057 37.165 -10.347 1.00 74.11 H new ATOM 419 N VAL A 28 14.106 38.840 -12.484 1.00 73.44 N ATOM 420 CA VAL A 28 14.240 39.910 -13.465 1.00 45.11 C ATOM 421 C VAL A 28 13.547 41.182 -12.989 1.00 70.33 C ATOM 422 O VAL A 28 14.030 42.290 -13.223 1.00 72.24 O ATOM 423 CB VAL A 28 13.655 39.499 -14.829 1.00 60.31 C ATOM 424 CG1 VAL A 28 13.464 40.718 -15.718 1.00 11.20 C ATOM 425 CG2 VAL A 28 14.551 38.471 -15.505 1.00 15.33 C ATOM 0 H VAL A 28 13.625 38.010 -12.830 1.00 73.44 H new ATOM 0 HA VAL A 28 15.307 40.102 -13.579 1.00 45.11 H new ATOM 0 HB VAL A 28 12.679 39.044 -14.663 1.00 60.31 H new ATOM 0 HG11 VAL A 28 13.050 40.407 -16.677 1.00 11.20 H new ATOM 0 HG12 VAL A 28 12.779 41.416 -15.236 1.00 11.20 H new ATOM 0 HG13 VAL A 28 14.426 41.205 -15.879 1.00 11.20 H new ATOM 0 HG21 VAL A 28 14.123 38.192 -16.468 1.00 15.33 H new ATOM 0 HG22 VAL A 28 15.542 38.898 -15.659 1.00 15.33 H new ATOM 0 HG23 VAL A 28 14.631 37.586 -14.873 1.00 15.33 H new ATOM 435 N PHE A 29 12.411 41.015 -12.319 1.00 65.45 N ATOM 436 CA PHE A 29 11.650 42.149 -11.810 1.00 41.33 C ATOM 437 C PHE A 29 12.324 42.748 -10.579 1.00 70.11 C ATOM 438 O PHE A 29 12.044 43.884 -10.196 1.00 4.04 O ATOM 439 CB PHE A 29 10.223 41.720 -11.466 1.00 74.41 C ATOM 440 CG PHE A 29 9.231 42.005 -12.558 1.00 21.52 C ATOM 441 CD1 PHE A 29 9.051 41.109 -13.600 1.00 23.04 C ATOM 442 CD2 PHE A 29 8.479 43.168 -12.542 1.00 42.34 C ATOM 443 CE1 PHE A 29 8.139 41.368 -14.606 1.00 24.14 C ATOM 444 CE2 PHE A 29 7.566 43.432 -13.545 1.00 53.43 C ATOM 445 CZ PHE A 29 7.396 42.532 -14.579 1.00 25.22 C ATOM 0 H PHE A 29 11.998 40.105 -12.116 1.00 65.45 H new ATOM 0 HA PHE A 29 11.615 42.910 -12.590 1.00 41.33 H new ATOM 0 HB2 PHE A 29 10.216 40.652 -11.249 1.00 74.41 H new ATOM 0 HB3 PHE A 29 9.907 42.232 -10.557 1.00 74.41 H new ATOM 0 HD1 PHE A 29 9.630 40.198 -13.626 1.00 23.04 H new ATOM 0 HD2 PHE A 29 8.608 43.876 -11.737 1.00 42.34 H new ATOM 0 HE1 PHE A 29 8.008 40.661 -15.412 1.00 24.14 H new ATOM 0 HE2 PHE A 29 6.985 44.342 -13.521 1.00 53.43 H new ATOM 0 HZ PHE A 29 6.684 42.738 -15.364 1.00 25.22 H new ATOM 455 N TYR A 30 13.212 41.975 -9.964 1.00 1.11 N ATOM 456 CA TYR A 30 13.924 42.427 -8.774 1.00 60.42 C ATOM 457 C TYR A 30 15.291 42.996 -9.141 1.00 23.43 C ATOM 458 O TYR A 30 15.880 43.767 -8.382 1.00 53.30 O ATOM 459 CB TYR A 30 14.088 41.272 -7.784 1.00 3.51 C ATOM 460 CG TYR A 30 13.246 41.420 -6.537 1.00 3.32 C ATOM 461 CD1 TYR A 30 11.877 41.639 -6.622 1.00 13.23 C ATOM 462 CD2 TYR A 30 13.820 41.342 -5.274 1.00 10.01 C ATOM 463 CE1 TYR A 30 11.103 41.776 -5.485 1.00 63.51 C ATOM 464 CE2 TYR A 30 13.054 41.476 -4.132 1.00 22.30 C ATOM 465 CZ TYR A 30 11.697 41.693 -4.243 1.00 34.53 C ATOM 466 OH TYR A 30 10.931 41.828 -3.108 1.00 34.35 O ATOM 0 H TYR A 30 13.456 41.033 -10.269 1.00 1.11 H new ATOM 0 HA TYR A 30 13.336 43.217 -8.307 1.00 60.42 H new ATOM 0 HB2 TYR A 30 13.825 40.338 -8.281 1.00 3.51 H new ATOM 0 HB3 TYR A 30 15.137 41.196 -7.497 1.00 3.51 H new ATOM 0 HD1 TYR A 30 11.409 41.703 -7.593 1.00 13.23 H new ATOM 0 HD2 TYR A 30 14.883 41.174 -5.183 1.00 10.01 H new ATOM 0 HE1 TYR A 30 10.040 41.947 -5.569 1.00 63.51 H new ATOM 0 HE2 TYR A 30 13.516 41.411 -3.158 1.00 22.30 H new ATOM 0 HH TYR A 30 11.502 41.743 -2.316 1.00 34.35 H new ATOM 476 N LEU A 31 15.791 42.610 -10.309 1.00 63.43 N ATOM 477 CA LEU A 31 17.090 43.081 -10.779 1.00 75.12 C ATOM 478 C LEU A 31 16.993 43.607 -12.208 1.00 24.32 C ATOM 479 O LEU A 31 17.460 42.979 -13.159 1.00 55.31 O ATOM 480 CB LEU A 31 18.120 41.953 -10.707 1.00 63.11 C ATOM 481 CG LEU A 31 18.928 41.864 -9.412 1.00 31.53 C ATOM 482 CD1 LEU A 31 18.164 41.074 -8.360 1.00 22.10 C ATOM 483 CD2 LEU A 31 20.287 41.231 -9.673 1.00 41.33 C ATOM 0 H LEU A 31 15.317 41.972 -10.949 1.00 63.43 H new ATOM 0 HA LEU A 31 17.410 43.898 -10.132 1.00 75.12 H new ATOM 0 HB2 LEU A 31 17.602 41.005 -10.855 1.00 63.11 H new ATOM 0 HB3 LEU A 31 18.815 42.069 -11.538 1.00 63.11 H new ATOM 0 HG LEU A 31 19.087 42.874 -9.035 1.00 31.53 H new ATOM 0 HD11 LEU A 31 18.754 41.021 -7.445 1.00 22.10 H new ATOM 0 HD12 LEU A 31 17.215 41.568 -8.152 1.00 22.10 H new ATOM 0 HD13 LEU A 31 17.974 40.066 -8.729 1.00 22.10 H new ATOM 0 HD21 LEU A 31 20.848 41.176 -8.740 1.00 41.33 H new ATOM 0 HD22 LEU A 31 20.150 40.227 -10.074 1.00 41.33 H new ATOM 0 HD23 LEU A 31 20.838 41.836 -10.393 1.00 41.33 H new ATOM 495 N PRO A 32 16.376 44.787 -12.364 1.00 3.32 N ATOM 496 CA PRO A 32 16.207 45.425 -13.673 1.00 2.33 C ATOM 497 C PRO A 32 17.527 45.928 -14.247 1.00 41.52 C ATOM 498 O PRO A 32 18.383 46.427 -13.516 1.00 64.55 O ATOM 499 CB PRO A 32 15.271 46.599 -13.377 1.00 13.42 C ATOM 500 CG PRO A 32 15.492 46.906 -11.936 1.00 14.23 C ATOM 501 CD PRO A 32 15.797 45.591 -11.274 1.00 75.43 C ATOM 0 HA PRO A 32 15.819 44.730 -14.418 1.00 2.33 H new ATOM 0 HB2 PRO A 32 15.504 47.459 -14.005 1.00 13.42 H new ATOM 0 HB3 PRO A 32 14.231 46.335 -13.571 1.00 13.42 H new ATOM 0 HG2 PRO A 32 16.317 47.607 -11.809 1.00 14.23 H new ATOM 0 HG3 PRO A 32 14.609 47.369 -11.496 1.00 14.23 H new ATOM 0 HD2 PRO A 32 16.497 45.710 -10.447 1.00 75.43 H new ATOM 0 HD3 PRO A 32 14.898 45.128 -10.867 1.00 75.43 H new ATOM 509 N SER A 33 17.685 45.795 -15.560 1.00 52.43 N ATOM 510 CA SER A 33 18.902 46.234 -16.232 1.00 64.43 C ATOM 511 C SER A 33 18.648 46.470 -17.718 1.00 0.11 C ATOM 512 O SER A 33 17.651 46.004 -18.270 1.00 65.22 O ATOM 513 CB SER A 33 20.011 45.195 -16.052 1.00 45.32 C ATOM 514 OG SER A 33 20.233 44.472 -17.251 1.00 15.14 O ATOM 0 H SER A 33 16.985 45.387 -16.180 1.00 52.43 H new ATOM 0 HA SER A 33 19.217 47.175 -15.781 1.00 64.43 H new ATOM 0 HB2 SER A 33 20.932 45.691 -15.747 1.00 45.32 H new ATOM 0 HB3 SER A 33 19.741 44.505 -15.252 1.00 45.32 H new ATOM 0 HG SER A 33 20.620 43.597 -17.039 1.00 15.14 H new ATOM 520 N ASP A 34 19.556 47.198 -18.358 1.00 62.25 N ATOM 521 CA ASP A 34 19.432 47.496 -19.781 1.00 3.45 C ATOM 522 C ASP A 34 20.287 46.545 -20.612 1.00 45.40 C ATOM 523 O ASP A 34 20.994 46.970 -21.527 1.00 64.30 O ATOM 524 CB ASP A 34 19.841 48.944 -20.057 1.00 23.00 C ATOM 525 CG ASP A 34 21.202 49.282 -19.479 1.00 72.44 C ATOM 526 OD1 ASP A 34 22.080 48.393 -19.471 1.00 0.43 O ATOM 527 OD2 ASP A 34 21.389 50.434 -19.037 1.00 14.11 O ATOM 0 H ASP A 34 20.386 47.593 -17.915 1.00 62.25 H new ATOM 0 HA ASP A 34 18.389 47.360 -20.067 1.00 3.45 H new ATOM 0 HB2 ASP A 34 19.854 49.116 -21.133 1.00 23.00 H new ATOM 0 HB3 ASP A 34 19.094 49.616 -19.636 1.00 23.00 H new ATOM 532 N CYS A 35 20.219 45.259 -20.287 1.00 51.33 N ATOM 533 CA CYS A 35 20.989 44.248 -21.003 1.00 74.11 C ATOM 534 C CYS A 35 20.079 43.389 -21.876 1.00 41.41 C ATOM 535 O CYS A 35 20.538 42.469 -22.552 1.00 11.42 O ATOM 536 CB CYS A 35 21.751 43.363 -20.015 1.00 52.43 C ATOM 537 SG CYS A 35 23.549 43.512 -20.127 1.00 63.24 S ATOM 0 H CYS A 35 19.639 44.892 -19.533 1.00 51.33 H new ATOM 0 HA CYS A 35 21.704 44.760 -21.647 1.00 74.11 H new ATOM 0 HB2 CYS A 35 21.439 43.615 -19.002 1.00 52.43 H new ATOM 0 HB3 CYS A 35 21.472 42.323 -20.185 1.00 52.43 H new ATOM 0 HG CYS A 35 24.105 42.728 -19.252 1.00 63.24 H new ATOM 543 N GLY A 36 18.785 43.696 -21.855 1.00 44.33 N ATOM 544 CA GLY A 36 17.831 42.942 -22.647 1.00 44.45 C ATOM 545 C GLY A 36 17.434 41.637 -21.988 1.00 75.20 C ATOM 546 O GLY A 36 17.022 40.694 -22.663 1.00 62.10 O ATOM 0 H GLY A 36 18.381 44.453 -21.304 1.00 44.33 H new ATOM 0 HA2 GLY A 36 16.940 43.548 -22.811 1.00 44.45 H new ATOM 0 HA3 GLY A 36 18.261 42.735 -23.627 1.00 44.45 H new ATOM 550 N GLU A 37 17.558 41.582 -20.666 1.00 32.54 N ATOM 551 CA GLU A 37 17.210 40.380 -19.916 1.00 0.21 C ATOM 552 C GLU A 37 15.705 40.130 -19.957 1.00 63.44 C ATOM 553 O GLU A 37 15.256 38.984 -19.998 1.00 14.15 O ATOM 554 CB GLU A 37 17.678 40.505 -18.464 1.00 74.33 C ATOM 555 CG GLU A 37 18.642 39.410 -18.040 1.00 1.35 C ATOM 556 CD GLU A 37 19.723 39.916 -17.104 1.00 43.23 C ATOM 557 OE1 GLU A 37 20.284 40.998 -17.377 1.00 45.05 O ATOM 558 OE2 GLU A 37 20.008 39.231 -16.100 1.00 63.02 O ATOM 0 H GLU A 37 17.896 42.355 -20.092 1.00 32.54 H new ATOM 0 HA GLU A 37 17.714 39.533 -20.381 1.00 0.21 H new ATOM 0 HB2 GLU A 37 18.159 41.474 -18.328 1.00 74.33 H new ATOM 0 HB3 GLU A 37 16.808 40.486 -17.808 1.00 74.33 H new ATOM 0 HG2 GLU A 37 18.086 38.611 -17.549 1.00 1.35 H new ATOM 0 HG3 GLU A 37 19.107 38.977 -18.926 1.00 1.35 H new ATOM 565 N LYS A 38 14.931 41.209 -19.947 1.00 2.52 N ATOM 566 CA LYS A 38 13.477 41.109 -19.984 1.00 0.52 C ATOM 567 C LYS A 38 13.019 40.271 -21.173 1.00 44.33 C ATOM 568 O LYS A 38 12.233 39.337 -21.020 1.00 43.01 O ATOM 569 CB LYS A 38 12.851 42.504 -20.058 1.00 61.00 C ATOM 570 CG LYS A 38 12.024 42.865 -18.837 1.00 14.04 C ATOM 571 CD LYS A 38 12.858 43.584 -17.790 1.00 44.22 C ATOM 572 CE LYS A 38 11.992 44.135 -16.668 1.00 31.42 C ATOM 573 NZ LYS A 38 12.505 45.436 -16.158 1.00 44.10 N ATOM 0 H LYS A 38 15.287 42.164 -19.914 1.00 2.52 H new ATOM 0 HA LYS A 38 13.148 40.618 -19.068 1.00 0.52 H new ATOM 0 HB2 LYS A 38 13.643 43.242 -20.181 1.00 61.00 H new ATOM 0 HB3 LYS A 38 12.220 42.563 -20.945 1.00 61.00 H new ATOM 0 HG2 LYS A 38 11.189 43.499 -19.136 1.00 14.04 H new ATOM 0 HG3 LYS A 38 11.598 41.960 -18.405 1.00 14.04 H new ATOM 0 HD2 LYS A 38 13.596 42.897 -17.377 1.00 44.22 H new ATOM 0 HD3 LYS A 38 13.409 44.399 -18.259 1.00 44.22 H new ATOM 0 HE2 LYS A 38 10.971 44.263 -17.027 1.00 31.42 H new ATOM 0 HE3 LYS A 38 11.954 43.414 -15.851 1.00 31.42 H new ATOM 0 HZ1 LYS A 38 11.887 45.778 -15.395 1.00 44.10 H new ATOM 0 HZ2 LYS A 38 13.470 45.309 -15.792 1.00 44.10 H new ATOM 0 HZ3 LYS A 38 12.517 46.132 -16.931 1.00 44.10 H new ATOM 587 N MET A 39 13.518 40.611 -22.358 1.00 12.25 N ATOM 588 CA MET A 39 13.161 39.887 -23.572 1.00 44.54 C ATOM 589 C MET A 39 13.710 38.465 -23.538 1.00 61.42 C ATOM 590 O MET A 39 13.024 37.514 -23.916 1.00 44.04 O ATOM 591 CB MET A 39 13.694 40.622 -24.804 1.00 52.31 C ATOM 592 CG MET A 39 13.087 42.002 -24.998 1.00 12.42 C ATOM 593 SD MET A 39 12.994 42.483 -26.733 1.00 73.12 S ATOM 594 CE MET A 39 11.270 42.952 -26.863 1.00 1.34 C ATOM 0 H MET A 39 14.170 41.382 -22.502 1.00 12.25 H new ATOM 0 HA MET A 39 12.074 39.837 -23.629 1.00 44.54 H new ATOM 0 HB2 MET A 39 14.776 40.719 -24.719 1.00 52.31 H new ATOM 0 HB3 MET A 39 13.496 40.019 -25.690 1.00 52.31 H new ATOM 0 HG2 MET A 39 12.086 42.018 -24.566 1.00 12.42 H new ATOM 0 HG3 MET A 39 13.681 42.736 -24.453 1.00 12.42 H new ATOM 0 HE1 MET A 39 11.057 43.275 -27.882 1.00 1.34 H new ATOM 0 HE2 MET A 39 10.641 42.098 -26.613 1.00 1.34 H new ATOM 0 HE3 MET A 39 11.062 43.770 -26.173 1.00 1.34 H new ATOM 604 N THR A 40 14.951 38.324 -23.083 1.00 2.22 N ATOM 605 CA THR A 40 15.592 37.018 -23.001 1.00 21.12 C ATOM 606 C THR A 40 14.804 36.074 -22.100 1.00 54.12 C ATOM 607 O THR A 40 14.679 34.883 -22.389 1.00 52.22 O ATOM 608 CB THR A 40 17.033 37.132 -22.469 1.00 65.44 C ATOM 609 OG1 THR A 40 17.838 37.877 -23.390 1.00 53.22 O ATOM 610 CG2 THR A 40 17.642 35.754 -22.257 1.00 62.30 C ATOM 0 H THR A 40 15.533 39.099 -22.765 1.00 2.22 H new ATOM 0 HA THR A 40 15.616 36.614 -24.013 1.00 21.12 H new ATOM 0 HB THR A 40 17.003 37.651 -21.511 1.00 65.44 H new ATOM 0 HG1 THR A 40 17.661 38.834 -23.279 1.00 53.22 H new ATOM 0 HG21 THR A 40 18.660 35.860 -21.881 1.00 62.30 H new ATOM 0 HG22 THR A 40 17.044 35.199 -21.534 1.00 62.30 H new ATOM 0 HG23 THR A 40 17.659 35.214 -23.204 1.00 62.30 H new ATOM 618 N LEU A 41 14.272 36.612 -21.008 1.00 41.42 N ATOM 619 CA LEU A 41 13.494 35.818 -20.065 1.00 33.55 C ATOM 620 C LEU A 41 12.270 35.211 -20.743 1.00 53.12 C ATOM 621 O LEU A 41 11.997 34.018 -20.603 1.00 10.34 O ATOM 622 CB LEU A 41 13.059 36.680 -18.878 1.00 75.14 C ATOM 623 CG LEU A 41 12.868 35.947 -17.550 1.00 10.21 C ATOM 624 CD1 LEU A 41 11.790 34.882 -17.678 1.00 21.13 C ATOM 625 CD2 LEU A 41 14.180 35.329 -17.089 1.00 73.41 C ATOM 0 H LEU A 41 14.366 37.595 -20.754 1.00 41.42 H new ATOM 0 HA LEU A 41 14.126 35.007 -19.704 1.00 33.55 H new ATOM 0 HB2 LEU A 41 13.802 37.465 -18.733 1.00 75.14 H new ATOM 0 HB3 LEU A 41 12.121 37.172 -19.136 1.00 75.14 H new ATOM 0 HG LEU A 41 12.547 36.670 -16.800 1.00 10.21 H new ATOM 0 HD11 LEU A 41 11.668 34.371 -16.723 1.00 21.13 H new ATOM 0 HD12 LEU A 41 10.848 35.350 -17.962 1.00 21.13 H new ATOM 0 HD13 LEU A 41 12.081 34.160 -18.441 1.00 21.13 H new ATOM 0 HD21 LEU A 41 14.026 34.811 -16.142 1.00 73.41 H new ATOM 0 HD22 LEU A 41 14.531 34.619 -17.838 1.00 73.41 H new ATOM 0 HD23 LEU A 41 14.925 36.114 -16.956 1.00 73.41 H new ATOM 637 N CYS A 42 11.538 36.039 -21.480 1.00 74.11 N ATOM 638 CA CYS A 42 10.343 35.584 -22.182 1.00 71.15 C ATOM 639 C CYS A 42 10.680 34.459 -23.156 1.00 52.20 C ATOM 640 O CYS A 42 9.868 33.563 -23.389 1.00 41.02 O ATOM 641 CB CYS A 42 9.693 36.747 -22.933 1.00 43.23 C ATOM 642 SG CYS A 42 8.512 36.238 -24.204 1.00 62.11 S ATOM 0 H CYS A 42 11.751 37.028 -21.607 1.00 74.11 H new ATOM 0 HA CYS A 42 9.640 35.201 -21.442 1.00 71.15 H new ATOM 0 HB2 CYS A 42 9.183 37.389 -22.215 1.00 43.23 H new ATOM 0 HB3 CYS A 42 10.475 37.347 -23.398 1.00 43.23 H new ATOM 0 HG CYS A 42 8.439 34.940 -24.233 1.00 62.11 H new ATOM 648 N ILE A 43 11.881 34.514 -23.722 1.00 74.32 N ATOM 649 CA ILE A 43 12.324 33.500 -24.671 1.00 70.00 C ATOM 650 C ILE A 43 12.699 32.206 -23.957 1.00 70.43 C ATOM 651 O ILE A 43 12.551 31.115 -24.509 1.00 12.22 O ATOM 652 CB ILE A 43 13.531 33.988 -25.493 1.00 44.11 C ATOM 653 CG1 ILE A 43 13.145 35.206 -26.334 1.00 55.32 C ATOM 654 CG2 ILE A 43 14.055 32.869 -26.381 1.00 53.11 C ATOM 655 CD1 ILE A 43 14.324 36.066 -26.731 1.00 62.10 C ATOM 0 H ILE A 43 12.564 35.249 -23.540 1.00 74.32 H new ATOM 0 HA ILE A 43 11.488 33.311 -25.345 1.00 70.00 H new ATOM 0 HB ILE A 43 14.324 34.282 -24.806 1.00 44.11 H new ATOM 0 HG12 ILE A 43 12.633 34.868 -27.235 1.00 55.32 H new ATOM 0 HG13 ILE A 43 12.435 35.814 -25.773 1.00 55.32 H new ATOM 0 HG21 ILE A 43 14.908 33.230 -26.956 1.00 53.11 H new ATOM 0 HG22 ILE A 43 14.365 32.027 -25.761 1.00 53.11 H new ATOM 0 HG23 ILE A 43 13.268 32.547 -27.063 1.00 53.11 H new ATOM 0 HD11 ILE A 43 13.975 36.910 -27.325 1.00 62.10 H new ATOM 0 HD12 ILE A 43 14.824 36.435 -25.835 1.00 62.10 H new ATOM 0 HD13 ILE A 43 15.025 35.474 -27.319 1.00 62.10 H new ATOM 667 N SER A 44 13.184 32.334 -22.726 1.00 40.14 N ATOM 668 CA SER A 44 13.582 31.175 -21.937 1.00 23.41 C ATOM 669 C SER A 44 12.360 30.396 -21.460 1.00 51.12 C ATOM 670 O SER A 44 12.239 29.196 -21.706 1.00 62.11 O ATOM 671 CB SER A 44 14.422 31.613 -20.736 1.00 1.24 C ATOM 672 OG SER A 44 15.806 31.443 -20.991 1.00 35.51 O ATOM 0 H SER A 44 13.311 33.229 -22.254 1.00 40.14 H new ATOM 0 HA SER A 44 14.181 30.523 -22.572 1.00 23.41 H new ATOM 0 HB2 SER A 44 14.217 32.659 -20.507 1.00 1.24 H new ATOM 0 HB3 SER A 44 14.137 31.033 -19.858 1.00 1.24 H new ATOM 0 HG SER A 44 16.321 31.732 -20.209 1.00 35.51 H new ATOM 678 N VAL A 45 11.455 31.089 -20.776 1.00 72.30 N ATOM 679 CA VAL A 45 10.240 30.464 -20.265 1.00 5.20 C ATOM 680 C VAL A 45 9.386 29.913 -21.401 1.00 1.01 C ATOM 681 O VAL A 45 8.602 28.982 -21.208 1.00 4.40 O ATOM 682 CB VAL A 45 9.401 31.460 -19.442 1.00 60.42 C ATOM 683 CG1 VAL A 45 8.948 32.622 -20.312 1.00 14.43 C ATOM 684 CG2 VAL A 45 8.208 30.757 -18.813 1.00 33.31 C ATOM 0 H VAL A 45 11.540 32.083 -20.563 1.00 72.30 H new ATOM 0 HA VAL A 45 10.553 29.643 -19.619 1.00 5.20 H new ATOM 0 HB VAL A 45 10.023 31.859 -18.641 1.00 60.42 H new ATOM 0 HG11 VAL A 45 8.357 33.315 -19.714 1.00 14.43 H new ATOM 0 HG12 VAL A 45 9.820 33.140 -20.711 1.00 14.43 H new ATOM 0 HG13 VAL A 45 8.342 32.245 -21.136 1.00 14.43 H new ATOM 0 HG21 VAL A 45 7.626 31.475 -18.235 1.00 33.31 H new ATOM 0 HG22 VAL A 45 7.583 30.330 -19.597 1.00 33.31 H new ATOM 0 HG23 VAL A 45 8.559 29.962 -18.156 1.00 33.31 H new ATOM 694 N LEU A 46 9.542 30.492 -22.586 1.00 3.50 N ATOM 695 CA LEU A 46 8.785 30.059 -23.755 1.00 42.13 C ATOM 696 C LEU A 46 9.327 28.740 -24.297 1.00 4.31 C ATOM 697 O LEU A 46 8.584 27.773 -24.464 1.00 73.32 O ATOM 698 CB LEU A 46 8.836 31.131 -24.846 1.00 35.32 C ATOM 699 CG LEU A 46 8.388 30.691 -26.240 1.00 75.11 C ATOM 700 CD1 LEU A 46 7.628 31.811 -26.935 1.00 21.44 C ATOM 701 CD2 LEU A 46 9.585 30.259 -27.074 1.00 3.43 C ATOM 0 H LEU A 46 10.186 31.263 -22.763 1.00 3.50 H new ATOM 0 HA LEU A 46 7.749 29.908 -23.451 1.00 42.13 H new ATOM 0 HB2 LEU A 46 8.213 31.969 -24.534 1.00 35.32 H new ATOM 0 HB3 LEU A 46 9.858 31.502 -24.915 1.00 35.32 H new ATOM 0 HG LEU A 46 7.719 29.837 -26.133 1.00 75.11 H new ATOM 0 HD11 LEU A 46 7.317 31.480 -27.926 1.00 21.44 H new ATOM 0 HD12 LEU A 46 6.748 32.073 -26.347 1.00 21.44 H new ATOM 0 HD13 LEU A 46 8.274 32.684 -27.031 1.00 21.44 H new ATOM 0 HD21 LEU A 46 9.247 29.949 -28.063 1.00 3.43 H new ATOM 0 HD22 LEU A 46 10.280 31.093 -27.173 1.00 3.43 H new ATOM 0 HD23 LEU A 46 10.087 29.425 -26.585 1.00 3.43 H new ATOM 713 N LEU A 47 10.628 28.708 -24.567 1.00 74.24 N ATOM 714 CA LEU A 47 11.271 27.507 -25.088 1.00 71.52 C ATOM 715 C LEU A 47 10.952 26.296 -24.216 1.00 52.42 C ATOM 716 O LEU A 47 10.515 25.259 -24.713 1.00 72.22 O ATOM 717 CB LEU A 47 12.785 27.708 -25.166 1.00 43.11 C ATOM 718 CG LEU A 47 13.459 27.241 -26.457 1.00 20.02 C ATOM 719 CD1 LEU A 47 13.822 28.432 -27.331 1.00 33.52 C ATOM 720 CD2 LEU A 47 14.695 26.411 -26.143 1.00 4.21 C ATOM 0 H LEU A 47 11.257 29.500 -24.434 1.00 74.24 H new ATOM 0 HA LEU A 47 10.883 27.323 -26.090 1.00 71.52 H new ATOM 0 HB2 LEU A 47 12.998 28.769 -25.032 1.00 43.11 H new ATOM 0 HB3 LEU A 47 13.245 27.182 -24.329 1.00 43.11 H new ATOM 0 HG LEU A 47 12.755 26.615 -27.006 1.00 20.02 H new ATOM 0 HD11 LEU A 47 14.301 28.080 -28.245 1.00 33.52 H new ATOM 0 HD12 LEU A 47 12.918 28.986 -27.585 1.00 33.52 H new ATOM 0 HD13 LEU A 47 14.508 29.084 -26.790 1.00 33.52 H new ATOM 0 HD21 LEU A 47 15.162 26.087 -27.073 1.00 4.21 H new ATOM 0 HD22 LEU A 47 15.402 27.013 -25.572 1.00 4.21 H new ATOM 0 HD23 LEU A 47 14.408 25.537 -25.558 1.00 4.21 H new ATOM 732 N ALA A 48 11.171 26.438 -22.913 1.00 64.02 N ATOM 733 CA ALA A 48 10.903 25.358 -21.971 1.00 42.25 C ATOM 734 C ALA A 48 9.470 24.855 -22.106 1.00 51.45 C ATOM 735 O ALA A 48 9.219 23.650 -22.081 1.00 31.30 O ATOM 736 CB ALA A 48 11.170 25.822 -20.547 1.00 60.31 C ATOM 0 H ALA A 48 11.533 27.290 -22.486 1.00 64.02 H new ATOM 0 HA ALA A 48 11.574 24.531 -22.204 1.00 42.25 H new ATOM 0 HB1 ALA A 48 10.966 25.006 -19.854 1.00 60.31 H new ATOM 0 HB2 ALA A 48 12.213 26.126 -20.453 1.00 60.31 H new ATOM 0 HB3 ALA A 48 10.523 26.667 -20.312 1.00 60.31 H new ATOM 742 N LEU A 49 8.533 25.786 -22.249 1.00 74.14 N ATOM 743 CA LEU A 49 7.123 25.437 -22.388 1.00 31.11 C ATOM 744 C LEU A 49 6.912 24.476 -23.553 1.00 72.14 C ATOM 745 O LEU A 49 6.232 23.458 -23.418 1.00 64.41 O ATOM 746 CB LEU A 49 6.283 26.699 -22.594 1.00 32.53 C ATOM 747 CG LEU A 49 5.064 26.850 -21.682 1.00 63.43 C ATOM 748 CD1 LEU A 49 4.101 25.690 -21.882 1.00 60.14 C ATOM 749 CD2 LEU A 49 5.496 26.942 -20.226 1.00 33.20 C ATOM 0 H LEU A 49 8.724 26.788 -22.272 1.00 74.14 H new ATOM 0 HA LEU A 49 6.805 24.942 -21.471 1.00 31.11 H new ATOM 0 HB2 LEU A 49 6.927 27.567 -22.453 1.00 32.53 H new ATOM 0 HB3 LEU A 49 5.942 26.720 -23.629 1.00 32.53 H new ATOM 0 HG LEU A 49 4.548 27.773 -21.946 1.00 63.43 H new ATOM 0 HD11 LEU A 49 3.240 25.814 -21.225 1.00 60.14 H new ATOM 0 HD12 LEU A 49 3.766 25.670 -22.919 1.00 60.14 H new ATOM 0 HD13 LEU A 49 4.606 24.753 -21.645 1.00 60.14 H new ATOM 0 HD21 LEU A 49 4.616 27.049 -19.592 1.00 33.20 H new ATOM 0 HD22 LEU A 49 6.035 26.036 -19.949 1.00 33.20 H new ATOM 0 HD23 LEU A 49 6.146 27.807 -20.093 1.00 33.20 H new ATOM 761 N THR A 50 7.501 24.805 -24.699 1.00 75.22 N ATOM 762 CA THR A 50 7.378 23.971 -25.888 1.00 41.02 C ATOM 763 C THR A 50 8.134 22.658 -25.719 1.00 72.02 C ATOM 764 O THR A 50 7.754 21.634 -26.288 1.00 24.04 O ATOM 765 CB THR A 50 7.906 24.697 -27.140 1.00 64.30 C ATOM 766 OG1 THR A 50 7.489 26.067 -27.125 1.00 25.44 O ATOM 767 CG2 THR A 50 7.405 24.023 -28.408 1.00 73.12 C ATOM 0 H THR A 50 8.068 25.643 -24.828 1.00 75.22 H new ATOM 0 HA THR A 50 6.316 23.761 -26.019 1.00 41.02 H new ATOM 0 HB THR A 50 8.995 24.649 -27.128 1.00 64.30 H new ATOM 0 HG1 THR A 50 7.830 26.522 -27.923 1.00 25.44 H new ATOM 0 HG21 THR A 50 7.791 24.553 -29.279 1.00 73.12 H new ATOM 0 HG22 THR A 50 7.749 22.989 -28.431 1.00 73.12 H new ATOM 0 HG23 THR A 50 6.315 24.043 -28.424 1.00 73.12 H new ATOM 775 N VAL A 51 9.205 22.694 -24.933 1.00 44.14 N ATOM 776 CA VAL A 51 10.014 21.506 -24.688 1.00 32.20 C ATOM 777 C VAL A 51 9.248 20.482 -23.857 1.00 3.42 C ATOM 778 O VAL A 51 9.427 19.275 -24.021 1.00 14.25 O ATOM 779 CB VAL A 51 11.327 21.860 -23.965 1.00 33.25 C ATOM 780 CG1 VAL A 51 11.956 20.614 -23.360 1.00 12.05 C ATOM 781 CG2 VAL A 51 12.293 22.545 -24.919 1.00 73.13 C ATOM 0 H VAL A 51 9.533 23.533 -24.455 1.00 44.14 H new ATOM 0 HA VAL A 51 10.249 21.077 -25.662 1.00 32.20 H new ATOM 0 HB VAL A 51 11.100 22.553 -23.155 1.00 33.25 H new ATOM 0 HG11 VAL A 51 12.883 20.884 -22.853 1.00 12.05 H new ATOM 0 HG12 VAL A 51 11.266 20.170 -22.642 1.00 12.05 H new ATOM 0 HG13 VAL A 51 12.171 19.894 -24.150 1.00 12.05 H new ATOM 0 HG21 VAL A 51 13.215 22.788 -24.391 1.00 73.13 H new ATOM 0 HG22 VAL A 51 12.517 21.878 -25.752 1.00 73.13 H new ATOM 0 HG23 VAL A 51 11.841 23.461 -25.299 1.00 73.13 H new ATOM 791 N PHE A 52 8.395 20.973 -22.964 1.00 75.33 N ATOM 792 CA PHE A 52 7.601 20.101 -22.106 1.00 70.31 C ATOM 793 C PHE A 52 6.541 19.359 -22.915 1.00 41.25 C ATOM 794 O PHE A 52 6.401 18.140 -22.808 1.00 2.15 O ATOM 795 CB PHE A 52 6.934 20.914 -20.995 1.00 31.55 C ATOM 796 CG PHE A 52 7.800 21.092 -19.780 1.00 74.41 C ATOM 797 CD1 PHE A 52 8.314 19.992 -19.113 1.00 3.04 C ATOM 798 CD2 PHE A 52 8.098 22.359 -19.306 1.00 23.22 C ATOM 799 CE1 PHE A 52 9.112 20.152 -17.995 1.00 14.41 C ATOM 800 CE2 PHE A 52 8.895 22.525 -18.189 1.00 43.41 C ATOM 801 CZ PHE A 52 9.402 21.421 -17.532 1.00 75.11 C ATOM 0 H PHE A 52 8.236 21.970 -22.816 1.00 75.33 H new ATOM 0 HA PHE A 52 8.270 19.367 -21.658 1.00 70.31 H new ATOM 0 HB2 PHE A 52 6.664 21.895 -21.386 1.00 31.55 H new ATOM 0 HB3 PHE A 52 6.007 20.421 -20.702 1.00 31.55 H new ATOM 0 HD1 PHE A 52 8.089 18.998 -19.470 1.00 3.04 H new ATOM 0 HD2 PHE A 52 7.703 23.226 -19.815 1.00 23.22 H new ATOM 0 HE1 PHE A 52 9.508 19.286 -17.485 1.00 14.41 H new ATOM 0 HE2 PHE A 52 9.121 23.518 -17.830 1.00 43.41 H new ATOM 0 HZ PHE A 52 10.024 21.549 -16.658 1.00 75.11 H new ATOM 811 N LEU A 53 5.796 20.103 -23.726 1.00 3.24 N ATOM 812 CA LEU A 53 4.748 19.518 -24.554 1.00 32.21 C ATOM 813 C LEU A 53 5.285 18.341 -25.361 1.00 63.44 C ATOM 814 O LEU A 53 4.800 17.215 -25.237 1.00 3.23 O ATOM 815 CB LEU A 53 4.165 20.573 -25.495 1.00 44.35 C ATOM 816 CG LEU A 53 2.697 20.392 -25.880 1.00 55.51 C ATOM 817 CD1 LEU A 53 1.974 21.730 -25.871 1.00 14.44 C ATOM 818 CD2 LEU A 53 2.580 19.731 -27.246 1.00 3.04 C ATOM 0 H LEU A 53 5.899 21.113 -23.827 1.00 3.24 H new ATOM 0 HA LEU A 53 3.960 19.153 -23.895 1.00 32.21 H new ATOM 0 HB2 LEU A 53 4.279 21.551 -25.027 1.00 44.35 H new ATOM 0 HB3 LEU A 53 4.760 20.585 -26.408 1.00 44.35 H new ATOM 0 HG LEU A 53 2.226 19.742 -25.142 1.00 55.51 H new ATOM 0 HD11 LEU A 53 0.930 21.581 -26.148 1.00 14.44 H new ATOM 0 HD12 LEU A 53 2.027 22.165 -24.873 1.00 14.44 H new ATOM 0 HD13 LEU A 53 2.446 22.404 -26.586 1.00 14.44 H new ATOM 0 HD21 LEU A 53 1.528 19.610 -27.503 1.00 3.04 H new ATOM 0 HD22 LEU A 53 3.067 20.355 -27.995 1.00 3.04 H new ATOM 0 HD23 LEU A 53 3.061 18.753 -27.220 1.00 3.04 H new ATOM 830 N LEU A 54 6.291 18.607 -26.188 1.00 33.23 N ATOM 831 CA LEU A 54 6.897 17.569 -27.015 1.00 33.03 C ATOM 832 C LEU A 54 7.314 16.371 -26.167 1.00 15.40 C ATOM 833 O LEU A 54 7.186 15.222 -26.591 1.00 41.15 O ATOM 834 CB LEU A 54 8.110 18.127 -27.761 1.00 12.33 C ATOM 835 CG LEU A 54 8.244 17.716 -29.227 1.00 55.14 C ATOM 836 CD1 LEU A 54 7.175 18.393 -30.071 1.00 53.11 C ATOM 837 CD2 LEU A 54 9.632 18.053 -29.751 1.00 70.03 C ATOM 0 H LEU A 54 6.704 19.533 -26.303 1.00 33.23 H new ATOM 0 HA LEU A 54 6.154 17.237 -27.740 1.00 33.03 H new ATOM 0 HB2 LEU A 54 8.073 19.215 -27.712 1.00 12.33 H new ATOM 0 HB3 LEU A 54 9.011 17.815 -27.233 1.00 12.33 H new ATOM 0 HG LEU A 54 8.104 16.637 -29.296 1.00 55.14 H new ATOM 0 HD11 LEU A 54 7.286 18.089 -31.112 1.00 53.11 H new ATOM 0 HD12 LEU A 54 6.188 18.101 -29.711 1.00 53.11 H new ATOM 0 HD13 LEU A 54 7.283 19.475 -29.996 1.00 53.11 H new ATOM 0 HD21 LEU A 54 9.709 17.753 -30.796 1.00 70.03 H new ATOM 0 HD22 LEU A 54 9.802 19.127 -29.668 1.00 70.03 H new ATOM 0 HD23 LEU A 54 10.381 17.521 -29.165 1.00 70.03 H new ATOM 849 N LEU A 55 7.810 16.647 -24.966 1.00 51.52 N ATOM 850 CA LEU A 55 8.244 15.593 -24.057 1.00 33.44 C ATOM 851 C LEU A 55 7.169 14.519 -23.915 1.00 41.45 C ATOM 852 O LEU A 55 7.361 13.376 -24.331 1.00 43.43 O ATOM 853 CB LEU A 55 8.577 16.181 -22.684 1.00 73.52 C ATOM 854 CG LEU A 55 9.506 15.344 -21.803 1.00 53.43 C ATOM 855 CD1 LEU A 55 10.864 16.016 -21.671 1.00 15.42 C ATOM 856 CD2 LEU A 55 8.883 15.121 -20.433 1.00 1.01 C ATOM 0 H LEU A 55 7.922 17.592 -24.599 1.00 51.52 H new ATOM 0 HA LEU A 55 9.139 15.133 -24.475 1.00 33.44 H new ATOM 0 HB2 LEU A 55 9.033 17.160 -22.831 1.00 73.52 H new ATOM 0 HB3 LEU A 55 7.644 16.342 -22.144 1.00 73.52 H new ATOM 0 HG LEU A 55 9.649 14.373 -22.277 1.00 53.43 H new ATOM 0 HD11 LEU A 55 11.512 15.407 -21.041 1.00 15.42 H new ATOM 0 HD12 LEU A 55 11.314 16.123 -22.658 1.00 15.42 H new ATOM 0 HD13 LEU A 55 10.740 17.000 -21.220 1.00 15.42 H new ATOM 0 HD21 LEU A 55 9.557 14.524 -19.819 1.00 1.01 H new ATOM 0 HD22 LEU A 55 8.710 16.083 -19.951 1.00 1.01 H new ATOM 0 HD23 LEU A 55 7.934 14.596 -20.546 1.00 1.01 H new ATOM 868 N ILE A 56 6.038 14.896 -23.329 1.00 31.43 N ATOM 869 CA ILE A 56 4.932 13.966 -23.136 1.00 53.15 C ATOM 870 C ILE A 56 4.259 13.630 -24.463 1.00 62.11 C ATOM 871 O ILE A 56 3.586 12.607 -24.588 1.00 64.31 O ATOM 872 CB ILE A 56 3.878 14.538 -22.170 1.00 33.52 C ATOM 873 CG1 ILE A 56 4.560 15.207 -20.975 1.00 34.12 C ATOM 874 CG2 ILE A 56 2.937 13.438 -21.702 1.00 34.52 C ATOM 875 CD1 ILE A 56 4.582 16.717 -21.060 1.00 34.05 C ATOM 0 H ILE A 56 5.863 15.838 -22.980 1.00 31.43 H new ATOM 0 HA ILE A 56 5.354 13.058 -22.705 1.00 53.15 H new ATOM 0 HB ILE A 56 3.292 15.290 -22.698 1.00 33.52 H new ATOM 0 HG12 ILE A 56 4.046 14.910 -20.061 1.00 34.12 H new ATOM 0 HG13 ILE A 56 5.584 14.840 -20.899 1.00 34.12 H new ATOM 0 HG21 ILE A 56 2.198 13.858 -21.020 1.00 34.52 H new ATOM 0 HG22 ILE A 56 2.430 13.002 -22.563 1.00 34.52 H new ATOM 0 HG23 ILE A 56 3.508 12.665 -21.187 1.00 34.52 H new ATOM 0 HD11 ILE A 56 5.080 17.124 -20.180 1.00 34.05 H new ATOM 0 HD12 ILE A 56 5.121 17.023 -21.956 1.00 34.05 H new ATOM 0 HD13 ILE A 56 3.560 17.094 -21.105 1.00 34.05 H new ATOM 1056 N SER A 69 -3.489 13.791 -17.039 1.00 72.30 N ATOM 1057 CA SER A 69 -2.629 14.502 -16.101 1.00 11.51 C ATOM 1058 C SER A 69 -1.820 15.580 -16.816 1.00 63.01 C ATOM 1059 O SER A 69 -1.789 16.735 -16.390 1.00 64.43 O ATOM 1060 CB SER A 69 -1.687 13.524 -15.397 1.00 11.02 C ATOM 1061 OG SER A 69 -1.669 12.270 -16.056 1.00 21.31 O ATOM 0 HA SER A 69 -3.264 14.982 -15.357 1.00 11.51 H new ATOM 0 HB2 SER A 69 -0.680 13.939 -15.371 1.00 11.02 H new ATOM 0 HB3 SER A 69 -2.003 13.390 -14.363 1.00 11.02 H new ATOM 0 HG SER A 69 -2.421 12.219 -16.682 1.00 21.31 H new ATOM 1067 N VAL A 70 -1.165 15.193 -17.907 1.00 11.54 N ATOM 1068 CA VAL A 70 -0.356 16.125 -18.683 1.00 3.22 C ATOM 1069 C VAL A 70 -1.166 17.351 -19.089 1.00 32.10 C ATOM 1070 O VAL A 70 -0.627 18.449 -19.222 1.00 62.53 O ATOM 1071 CB VAL A 70 0.212 15.456 -19.949 1.00 34.12 C ATOM 1072 CG1 VAL A 70 -0.916 14.962 -20.843 1.00 24.35 C ATOM 1073 CG2 VAL A 70 1.116 16.420 -20.701 1.00 52.52 C ATOM 0 H VAL A 70 -1.179 14.241 -18.273 1.00 11.54 H new ATOM 0 HA VAL A 70 0.470 16.435 -18.043 1.00 3.22 H new ATOM 0 HB VAL A 70 0.809 14.595 -19.648 1.00 34.12 H new ATOM 0 HG11 VAL A 70 -0.496 14.492 -21.732 1.00 24.35 H new ATOM 0 HG12 VAL A 70 -1.519 14.235 -20.299 1.00 24.35 H new ATOM 0 HG13 VAL A 70 -1.542 15.804 -21.138 1.00 24.35 H new ATOM 0 HG21 VAL A 70 1.508 15.931 -21.592 1.00 52.52 H new ATOM 0 HG22 VAL A 70 0.545 17.302 -20.993 1.00 52.52 H new ATOM 0 HG23 VAL A 70 1.943 16.720 -20.058 1.00 52.52 H new ATOM 1083 N GLY A 71 -2.467 17.156 -19.284 1.00 61.41 N ATOM 1084 CA GLY A 71 -3.332 18.254 -19.673 1.00 2.22 C ATOM 1085 C GLY A 71 -3.721 19.129 -18.498 1.00 0.41 C ATOM 1086 O GLY A 71 -3.726 20.355 -18.604 1.00 51.24 O ATOM 0 H GLY A 71 -2.937 16.257 -19.179 1.00 61.41 H new ATOM 0 HA2 GLY A 71 -2.827 18.862 -20.424 1.00 2.22 H new ATOM 0 HA3 GLY A 71 -4.233 17.855 -20.139 1.00 2.22 H new ATOM 1090 N GLU A 72 -4.049 18.498 -17.375 1.00 12.22 N ATOM 1091 CA GLU A 72 -4.444 19.229 -16.176 1.00 71.22 C ATOM 1092 C GLU A 72 -3.373 20.240 -15.778 1.00 52.31 C ATOM 1093 O GLU A 72 -3.648 21.434 -15.650 1.00 31.44 O ATOM 1094 CB GLU A 72 -4.699 18.258 -15.021 1.00 41.12 C ATOM 1095 CG GLU A 72 -6.078 18.400 -14.400 1.00 12.01 C ATOM 1096 CD GLU A 72 -6.310 17.422 -13.264 1.00 40.23 C ATOM 1097 OE1 GLU A 72 -5.542 16.443 -13.157 1.00 50.53 O ATOM 1098 OE2 GLU A 72 -7.260 17.637 -12.482 1.00 61.53 O ATOM 0 H GLU A 72 -4.049 17.483 -17.270 1.00 12.22 H new ATOM 0 HA GLU A 72 -5.365 19.769 -16.397 1.00 71.22 H new ATOM 0 HB2 GLU A 72 -4.576 17.237 -15.382 1.00 41.12 H new ATOM 0 HB3 GLU A 72 -3.945 18.417 -14.250 1.00 41.12 H new ATOM 0 HG2 GLU A 72 -6.202 19.418 -14.030 1.00 12.01 H new ATOM 0 HG3 GLU A 72 -6.836 18.245 -15.168 1.00 12.01 H new ATOM 1105 N TYR A 73 -2.152 19.755 -15.584 1.00 33.42 N ATOM 1106 CA TYR A 73 -1.040 20.615 -15.197 1.00 71.43 C ATOM 1107 C TYR A 73 -0.727 21.626 -16.295 1.00 43.52 C ATOM 1108 O TYR A 73 -0.303 22.750 -16.019 1.00 32.43 O ATOM 1109 CB TYR A 73 0.201 19.773 -14.894 1.00 40.52 C ATOM 1110 CG TYR A 73 -0.023 18.726 -13.828 1.00 34.54 C ATOM 1111 CD1 TYR A 73 -0.269 19.090 -12.509 1.00 64.42 C ATOM 1112 CD2 TYR A 73 0.011 17.372 -14.138 1.00 33.34 C ATOM 1113 CE1 TYR A 73 -0.474 18.136 -11.531 1.00 65.20 C ATOM 1114 CE2 TYR A 73 -0.195 16.411 -13.166 1.00 44.14 C ATOM 1115 CZ TYR A 73 -0.436 16.798 -11.865 1.00 11.03 C ATOM 1116 OH TYR A 73 -0.640 15.844 -10.894 1.00 4.10 O ATOM 0 H TYR A 73 -1.907 18.770 -15.688 1.00 33.42 H new ATOM 0 HA TYR A 73 -1.330 21.160 -14.298 1.00 71.43 H new ATOM 0 HB2 TYR A 73 0.529 19.282 -15.810 1.00 40.52 H new ATOM 0 HB3 TYR A 73 1.009 20.433 -14.579 1.00 40.52 H new ATOM 0 HD1 TYR A 73 -0.300 20.137 -12.244 1.00 64.42 H new ATOM 0 HD2 TYR A 73 0.202 17.065 -15.156 1.00 33.34 H new ATOM 0 HE1 TYR A 73 -0.663 18.436 -10.511 1.00 65.20 H new ATOM 0 HE2 TYR A 73 -0.167 15.363 -13.424 1.00 44.14 H new ATOM 0 HH TYR A 73 -0.582 14.952 -11.295 1.00 4.10 H new ATOM 1126 N LEU A 74 -0.938 21.221 -17.542 1.00 75.33 N ATOM 1127 CA LEU A 74 -0.680 22.091 -18.684 1.00 71.13 C ATOM 1128 C LEU A 74 -1.633 23.282 -18.688 1.00 3.12 C ATOM 1129 O LEU A 74 -1.216 24.422 -18.889 1.00 44.22 O ATOM 1130 CB LEU A 74 -0.821 21.307 -19.990 1.00 61.22 C ATOM 1131 CG LEU A 74 -0.818 22.136 -21.275 1.00 12.23 C ATOM 1132 CD1 LEU A 74 0.537 22.794 -21.483 1.00 22.14 C ATOM 1133 CD2 LEU A 74 -1.181 21.268 -22.471 1.00 1.12 C ATOM 0 H LEU A 74 -1.287 20.295 -17.788 1.00 75.33 H new ATOM 0 HA LEU A 74 0.340 22.466 -18.600 1.00 71.13 H new ATOM 0 HB2 LEU A 74 -0.007 20.584 -20.046 1.00 61.22 H new ATOM 0 HB3 LEU A 74 -1.750 20.738 -19.950 1.00 61.22 H new ATOM 0 HG LEU A 74 -1.569 22.920 -21.180 1.00 12.23 H new ATOM 0 HD11 LEU A 74 0.520 23.380 -22.402 1.00 22.14 H new ATOM 0 HD12 LEU A 74 0.757 23.449 -20.640 1.00 22.14 H new ATOM 0 HD13 LEU A 74 1.307 22.026 -21.556 1.00 22.14 H new ATOM 0 HD21 LEU A 74 -1.174 21.875 -23.376 1.00 1.12 H new ATOM 0 HD22 LEU A 74 -0.454 20.461 -22.569 1.00 1.12 H new ATOM 0 HD23 LEU A 74 -2.175 20.845 -22.325 1.00 1.12 H new ATOM 1145 N MET A 75 -2.914 23.009 -18.462 1.00 3.44 N ATOM 1146 CA MET A 75 -3.925 24.060 -18.435 1.00 71.34 C ATOM 1147 C MET A 75 -3.540 25.161 -17.453 1.00 44.32 C ATOM 1148 O MET A 75 -3.635 26.348 -17.767 1.00 71.12 O ATOM 1149 CB MET A 75 -5.287 23.476 -18.056 1.00 74.02 C ATOM 1150 CG MET A 75 -6.393 24.516 -17.977 1.00 74.25 C ATOM 1151 SD MET A 75 -7.745 24.180 -19.122 1.00 74.32 S ATOM 1152 CE MET A 75 -7.315 25.264 -20.482 1.00 32.52 C ATOM 0 H MET A 75 -3.276 22.070 -18.295 1.00 3.44 H new ATOM 0 HA MET A 75 -3.988 24.494 -19.433 1.00 71.34 H new ATOM 0 HB2 MET A 75 -5.564 22.717 -18.788 1.00 74.02 H new ATOM 0 HB3 MET A 75 -5.202 22.973 -17.092 1.00 74.02 H new ATOM 0 HG2 MET A 75 -6.783 24.549 -16.960 1.00 74.25 H new ATOM 0 HG3 MET A 75 -5.977 25.500 -18.191 1.00 74.25 H new ATOM 0 HE1 MET A 75 -8.060 25.169 -21.272 1.00 32.52 H new ATOM 0 HE2 MET A 75 -7.288 26.295 -20.131 1.00 32.52 H new ATOM 0 HE3 MET A 75 -6.335 24.988 -20.872 1.00 32.52 H new ATOM 1162 N PHE A 76 -3.104 24.761 -16.263 1.00 52.02 N ATOM 1163 CA PHE A 76 -2.706 25.715 -15.235 1.00 24.35 C ATOM 1164 C PHE A 76 -1.463 26.490 -15.664 1.00 14.03 C ATOM 1165 O PHE A 76 -1.300 27.663 -15.324 1.00 73.51 O ATOM 1166 CB PHE A 76 -2.437 24.990 -13.914 1.00 15.32 C ATOM 1167 CG PHE A 76 -2.525 25.885 -12.711 1.00 11.13 C ATOM 1168 CD1 PHE A 76 -3.664 26.637 -12.471 1.00 71.15 C ATOM 1169 CD2 PHE A 76 -1.468 25.975 -11.819 1.00 72.12 C ATOM 1170 CE1 PHE A 76 -3.748 27.461 -11.365 1.00 53.10 C ATOM 1171 CE2 PHE A 76 -1.547 26.797 -10.711 1.00 22.01 C ATOM 1172 CZ PHE A 76 -2.688 27.542 -10.484 1.00 64.12 C ATOM 0 H PHE A 76 -3.017 23.783 -15.987 1.00 52.02 H new ATOM 0 HA PHE A 76 -3.524 26.422 -15.095 1.00 24.35 H new ATOM 0 HB2 PHE A 76 -3.152 24.175 -13.804 1.00 15.32 H new ATOM 0 HB3 PHE A 76 -1.445 24.540 -13.951 1.00 15.32 H new ATOM 0 HD1 PHE A 76 -4.496 26.578 -13.157 1.00 71.15 H new ATOM 0 HD2 PHE A 76 -0.573 25.396 -11.992 1.00 72.12 H new ATOM 0 HE1 PHE A 76 -4.642 28.041 -11.190 1.00 53.10 H new ATOM 0 HE2 PHE A 76 -0.717 26.857 -10.023 1.00 22.01 H new ATOM 0 HZ PHE A 76 -2.751 28.186 -9.619 1.00 64.12 H new ATOM 1182 N THR A 77 -0.588 25.826 -16.413 1.00 13.32 N ATOM 1183 CA THR A 77 0.640 26.451 -16.887 1.00 61.33 C ATOM 1184 C THR A 77 0.356 27.438 -18.013 1.00 54.22 C ATOM 1185 O THR A 77 1.077 28.420 -18.187 1.00 15.32 O ATOM 1186 CB THR A 77 1.649 25.399 -17.385 1.00 70.44 C ATOM 1187 OG1 THR A 77 2.066 24.566 -16.298 1.00 34.24 O ATOM 1188 CG2 THR A 77 2.863 26.067 -18.013 1.00 11.34 C ATOM 0 H THR A 77 -0.707 24.856 -16.704 1.00 13.32 H new ATOM 0 HA THR A 77 1.070 26.985 -16.040 1.00 61.33 H new ATOM 0 HB THR A 77 1.158 24.788 -18.142 1.00 70.44 H new ATOM 0 HG1 THR A 77 1.364 23.912 -16.099 1.00 34.24 H new ATOM 0 HG21 THR A 77 3.561 25.304 -18.357 1.00 11.34 H new ATOM 0 HG22 THR A 77 2.546 26.676 -18.859 1.00 11.34 H new ATOM 0 HG23 THR A 77 3.353 26.700 -17.273 1.00 11.34 H new ATOM 1196 N MET A 78 -0.700 27.172 -18.775 1.00 71.42 N ATOM 1197 CA MET A 78 -1.081 28.039 -19.884 1.00 5.21 C ATOM 1198 C MET A 78 -1.524 29.408 -19.376 1.00 61.51 C ATOM 1199 O MET A 78 -0.994 30.437 -19.794 1.00 2.35 O ATOM 1200 CB MET A 78 -2.204 27.397 -20.700 1.00 62.31 C ATOM 1201 CG MET A 78 -1.709 26.394 -21.730 1.00 54.34 C ATOM 1202 SD MET A 78 -1.233 27.174 -23.285 1.00 31.30 S ATOM 1203 CE MET A 78 0.337 26.370 -23.599 1.00 55.35 C ATOM 0 H MET A 78 -1.307 26.363 -18.645 1.00 71.42 H new ATOM 0 HA MET A 78 -0.209 28.173 -20.524 1.00 5.21 H new ATOM 0 HB2 MET A 78 -2.895 26.898 -20.021 1.00 62.31 H new ATOM 0 HB3 MET A 78 -2.766 28.180 -21.208 1.00 62.31 H new ATOM 0 HG2 MET A 78 -0.855 25.852 -21.323 1.00 54.34 H new ATOM 0 HG3 MET A 78 -2.491 25.659 -21.921 1.00 54.34 H new ATOM 0 HE1 MET A 78 0.776 26.773 -24.511 1.00 55.35 H new ATOM 0 HE2 MET A 78 1.011 26.549 -22.762 1.00 55.35 H new ATOM 0 HE3 MET A 78 0.180 25.298 -23.715 1.00 55.35 H new ATOM 1213 N VAL A 79 -2.499 29.411 -18.473 1.00 54.21 N ATOM 1214 CA VAL A 79 -3.013 30.653 -17.908 1.00 13.11 C ATOM 1215 C VAL A 79 -1.926 31.401 -17.145 1.00 1.02 C ATOM 1216 O VAL A 79 -1.964 32.627 -17.029 1.00 73.31 O ATOM 1217 CB VAL A 79 -4.201 30.390 -16.963 1.00 4.55 C ATOM 1218 CG1 VAL A 79 -5.398 29.869 -17.741 1.00 74.35 C ATOM 1219 CG2 VAL A 79 -3.802 29.415 -15.865 1.00 42.23 C ATOM 0 H VAL A 79 -2.949 28.568 -18.117 1.00 54.21 H new ATOM 0 HA VAL A 79 -3.352 31.265 -18.744 1.00 13.11 H new ATOM 0 HB VAL A 79 -4.486 31.332 -16.495 1.00 4.55 H new ATOM 0 HG11 VAL A 79 -6.227 29.689 -17.056 1.00 74.35 H new ATOM 0 HG12 VAL A 79 -5.696 30.606 -18.486 1.00 74.35 H new ATOM 0 HG13 VAL A 79 -5.130 28.937 -18.239 1.00 74.35 H new ATOM 0 HG21 VAL A 79 -4.653 29.240 -15.207 1.00 42.23 H new ATOM 0 HG22 VAL A 79 -3.490 28.471 -16.312 1.00 42.23 H new ATOM 0 HG23 VAL A 79 -2.977 29.834 -15.289 1.00 42.23 H new ATOM 1229 N LEU A 80 -0.956 30.656 -16.626 1.00 12.02 N ATOM 1230 CA LEU A 80 0.144 31.248 -15.873 1.00 41.31 C ATOM 1231 C LEU A 80 1.111 31.975 -16.803 1.00 15.44 C ATOM 1232 O LEU A 80 1.358 33.171 -16.646 1.00 4.13 O ATOM 1233 CB LEU A 80 0.890 30.169 -15.087 1.00 33.41 C ATOM 1234 CG LEU A 80 0.963 30.371 -13.573 1.00 31.50 C ATOM 1235 CD1 LEU A 80 1.584 31.719 -13.244 1.00 22.02 C ATOM 1236 CD2 LEU A 80 -0.421 30.253 -12.952 1.00 13.13 C ATOM 0 H LEU A 80 -0.909 29.641 -16.713 1.00 12.02 H new ATOM 0 HA LEU A 80 -0.275 31.973 -15.175 1.00 41.31 H new ATOM 0 HB2 LEU A 80 0.412 29.209 -15.283 1.00 33.41 H new ATOM 0 HB3 LEU A 80 1.907 30.103 -15.474 1.00 33.41 H new ATOM 0 HG LEU A 80 1.596 29.590 -13.151 1.00 31.50 H new ATOM 0 HD11 LEU A 80 1.628 31.845 -12.162 1.00 22.02 H new ATOM 0 HD12 LEU A 80 2.592 31.765 -13.656 1.00 22.02 H new ATOM 0 HD13 LEU A 80 0.978 32.514 -13.678 1.00 22.02 H new ATOM 0 HD21 LEU A 80 -0.350 30.399 -11.874 1.00 13.13 H new ATOM 0 HD22 LEU A 80 -1.077 31.012 -13.379 1.00 13.13 H new ATOM 0 HD23 LEU A 80 -0.829 29.263 -13.157 1.00 13.13 H new ATOM 1248 N VAL A 81 1.652 31.246 -17.773 1.00 24.23 N ATOM 1249 CA VAL A 81 2.589 31.822 -18.730 1.00 61.31 C ATOM 1250 C VAL A 81 1.935 32.939 -19.535 1.00 1.34 C ATOM 1251 O VAL A 81 2.618 33.794 -20.100 1.00 55.42 O ATOM 1252 CB VAL A 81 3.128 30.753 -19.700 1.00 50.51 C ATOM 1253 CG1 VAL A 81 2.199 30.599 -20.894 1.00 74.22 C ATOM 1254 CG2 VAL A 81 4.537 31.107 -20.153 1.00 14.34 C ATOM 0 H VAL A 81 1.458 30.255 -17.917 1.00 24.23 H new ATOM 0 HA VAL A 81 3.419 32.231 -18.154 1.00 61.31 H new ATOM 0 HB VAL A 81 3.168 29.798 -19.175 1.00 50.51 H new ATOM 0 HG11 VAL A 81 2.596 29.840 -21.568 1.00 74.22 H new ATOM 0 HG12 VAL A 81 1.210 30.297 -20.549 1.00 74.22 H new ATOM 0 HG13 VAL A 81 2.124 31.550 -21.422 1.00 74.22 H new ATOM 0 HG21 VAL A 81 4.902 30.341 -20.838 1.00 14.34 H new ATOM 0 HG22 VAL A 81 4.524 32.072 -20.661 1.00 14.34 H new ATOM 0 HG23 VAL A 81 5.195 31.162 -19.286 1.00 14.34 H new ATOM 1264 N THR A 82 0.606 32.928 -19.582 1.00 25.30 N ATOM 1265 CA THR A 82 -0.141 33.940 -20.318 1.00 20.43 C ATOM 1266 C THR A 82 -0.042 35.300 -19.636 1.00 72.35 C ATOM 1267 O THR A 82 0.302 36.299 -20.269 1.00 33.51 O ATOM 1268 CB THR A 82 -1.626 33.553 -20.454 1.00 22.11 C ATOM 1269 OG1 THR A 82 -1.767 32.467 -21.376 1.00 65.32 O ATOM 1270 CG2 THR A 82 -2.452 34.738 -20.929 1.00 13.42 C ATOM 0 H THR A 82 0.025 32.229 -19.119 1.00 25.30 H new ATOM 0 HA THR A 82 0.303 34.002 -21.311 1.00 20.43 H new ATOM 0 HB THR A 82 -1.990 33.246 -19.473 1.00 22.11 H new ATOM 0 HG1 THR A 82 -1.621 31.619 -20.907 1.00 65.32 H new ATOM 0 HG21 THR A 82 -3.497 34.441 -21.018 1.00 13.42 H new ATOM 0 HG22 THR A 82 -2.366 35.553 -20.210 1.00 13.42 H new ATOM 0 HG23 THR A 82 -2.086 35.071 -21.900 1.00 13.42 H new ATOM 1278 N PHE A 83 -0.345 35.332 -18.343 1.00 33.20 N ATOM 1279 CA PHE A 83 -0.291 36.571 -17.576 1.00 21.45 C ATOM 1280 C PHE A 83 1.111 37.171 -17.611 1.00 5.12 C ATOM 1281 O PHE A 83 1.275 38.390 -17.664 1.00 23.10 O ATOM 1282 CB PHE A 83 -0.713 36.317 -16.127 1.00 31.11 C ATOM 1283 CG PHE A 83 -2.106 36.786 -15.817 1.00 42.34 C ATOM 1284 CD1 PHE A 83 -3.206 36.039 -16.208 1.00 4.44 C ATOM 1285 CD2 PHE A 83 -2.315 37.975 -15.137 1.00 32.12 C ATOM 1286 CE1 PHE A 83 -4.489 36.468 -15.924 1.00 43.31 C ATOM 1287 CE2 PHE A 83 -3.596 38.409 -14.850 1.00 62.41 C ATOM 1288 CZ PHE A 83 -4.684 37.655 -15.245 1.00 41.13 C ATOM 0 H PHE A 83 -0.630 34.514 -17.804 1.00 33.20 H new ATOM 0 HA PHE A 83 -0.983 37.281 -18.030 1.00 21.45 H new ATOM 0 HB2 PHE A 83 -0.643 35.249 -15.918 1.00 31.11 H new ATOM 0 HB3 PHE A 83 -0.012 36.819 -15.460 1.00 31.11 H new ATOM 0 HD1 PHE A 83 -3.059 35.111 -16.741 1.00 4.44 H new ATOM 0 HD2 PHE A 83 -1.468 38.569 -14.828 1.00 32.12 H new ATOM 0 HE1 PHE A 83 -5.338 35.876 -16.233 1.00 43.31 H new ATOM 0 HE2 PHE A 83 -3.746 39.337 -14.318 1.00 62.41 H new ATOM 0 HZ PHE A 83 -5.685 37.993 -15.023 1.00 41.13 H new ATOM 1298 N SER A 84 2.120 36.306 -17.580 1.00 21.10 N ATOM 1299 CA SER A 84 3.509 36.750 -17.604 1.00 31.22 C ATOM 1300 C SER A 84 3.807 37.533 -18.878 1.00 50.54 C ATOM 1301 O SER A 84 4.424 38.598 -18.835 1.00 40.23 O ATOM 1302 CB SER A 84 4.452 35.550 -17.497 1.00 71.21 C ATOM 1303 OG SER A 84 5.765 35.961 -17.159 1.00 50.51 O ATOM 0 H SER A 84 2.002 35.294 -17.538 1.00 21.10 H new ATOM 0 HA SER A 84 3.669 37.407 -16.749 1.00 31.22 H new ATOM 0 HB2 SER A 84 4.079 34.857 -16.743 1.00 71.21 H new ATOM 0 HB3 SER A 84 4.469 35.011 -18.444 1.00 71.21 H new ATOM 0 HG SER A 84 6.347 35.175 -17.095 1.00 50.51 H new ATOM 1309 N ILE A 85 3.364 36.999 -20.011 1.00 63.43 N ATOM 1310 CA ILE A 85 3.582 37.648 -21.298 1.00 61.52 C ATOM 1311 C ILE A 85 3.003 39.058 -21.308 1.00 11.15 C ATOM 1312 O ILE A 85 3.669 40.012 -21.710 1.00 62.10 O ATOM 1313 CB ILE A 85 2.955 36.840 -22.450 1.00 32.55 C ATOM 1314 CG1 ILE A 85 3.595 35.453 -22.536 1.00 61.42 C ATOM 1315 CG2 ILE A 85 3.112 37.585 -23.767 1.00 31.34 C ATOM 1316 CD1 ILE A 85 4.842 35.415 -23.392 1.00 11.01 C ATOM 0 H ILE A 85 2.852 36.118 -20.064 1.00 63.43 H new ATOM 0 HA ILE A 85 4.661 37.699 -21.446 1.00 61.52 H new ATOM 0 HB ILE A 85 1.891 36.717 -22.250 1.00 32.55 H new ATOM 0 HG12 ILE A 85 3.844 35.114 -21.531 1.00 61.42 H new ATOM 0 HG13 ILE A 85 2.866 34.750 -22.939 1.00 61.42 H new ATOM 0 HG21 ILE A 85 2.664 37.001 -24.571 1.00 31.34 H new ATOM 0 HG22 ILE A 85 2.614 38.552 -23.700 1.00 31.34 H new ATOM 0 HG23 ILE A 85 4.171 37.736 -23.975 1.00 31.34 H new ATOM 0 HD11 ILE A 85 5.242 34.401 -23.408 1.00 11.01 H new ATOM 0 HD12 ILE A 85 4.595 35.724 -24.408 1.00 11.01 H new ATOM 0 HD13 ILE A 85 5.588 36.093 -22.978 1.00 11.01 H new ATOM 1328 N VAL A 86 1.758 39.184 -20.859 1.00 73.35 N ATOM 1329 CA VAL A 86 1.089 40.478 -20.813 1.00 52.42 C ATOM 1330 C VAL A 86 1.894 41.484 -19.998 1.00 11.12 C ATOM 1331 O VAL A 86 1.992 42.657 -20.359 1.00 45.24 O ATOM 1332 CB VAL A 86 -0.324 40.359 -20.211 1.00 3.21 C ATOM 1333 CG1 VAL A 86 -0.914 41.738 -19.957 1.00 31.34 C ATOM 1334 CG2 VAL A 86 -1.225 39.544 -21.126 1.00 15.33 C ATOM 0 H VAL A 86 1.193 38.405 -20.522 1.00 73.35 H new ATOM 0 HA VAL A 86 1.009 40.829 -21.842 1.00 52.42 H new ATOM 0 HB VAL A 86 -0.251 39.840 -19.255 1.00 3.21 H new ATOM 0 HG11 VAL A 86 -1.912 41.634 -19.532 1.00 31.34 H new ATOM 0 HG12 VAL A 86 -0.278 42.283 -19.260 1.00 31.34 H new ATOM 0 HG13 VAL A 86 -0.975 42.286 -20.897 1.00 31.34 H new ATOM 0 HG21 VAL A 86 -2.219 39.470 -20.686 1.00 15.33 H new ATOM 0 HG22 VAL A 86 -1.294 40.033 -22.098 1.00 15.33 H new ATOM 0 HG23 VAL A 86 -0.808 38.545 -21.251 1.00 15.33 H new ATOM 1344 N THR A 87 2.470 41.017 -18.894 1.00 53.32 N ATOM 1345 CA THR A 87 3.266 41.875 -18.026 1.00 42.32 C ATOM 1346 C THR A 87 4.585 42.256 -18.690 1.00 13.43 C ATOM 1347 O THR A 87 5.153 43.310 -18.403 1.00 51.22 O ATOM 1348 CB THR A 87 3.562 41.191 -16.678 1.00 51.31 C ATOM 1349 OG1 THR A 87 2.474 40.334 -16.315 1.00 21.02 O ATOM 1350 CG2 THR A 87 3.787 42.225 -15.585 1.00 32.23 C ATOM 0 H THR A 87 2.400 40.049 -18.580 1.00 53.32 H new ATOM 0 HA THR A 87 2.679 42.776 -17.847 1.00 42.32 H new ATOM 0 HB THR A 87 4.470 40.598 -16.787 1.00 51.31 H new ATOM 0 HG1 THR A 87 2.526 39.502 -16.831 1.00 21.02 H new ATOM 0 HG21 THR A 87 3.994 41.719 -14.642 1.00 32.23 H new ATOM 0 HG22 THR A 87 4.634 42.857 -15.851 1.00 32.23 H new ATOM 0 HG23 THR A 87 2.894 42.841 -15.477 1.00 32.23 H new ATOM 1358 N SER A 88 5.066 41.393 -19.578 1.00 62.11 N ATOM 1359 CA SER A 88 6.320 41.638 -20.281 1.00 2.24 C ATOM 1360 C SER A 88 6.196 42.843 -21.209 1.00 23.41 C ATOM 1361 O SER A 88 7.089 43.689 -21.270 1.00 34.41 O ATOM 1362 CB SER A 88 6.730 40.402 -21.083 1.00 23.33 C ATOM 1363 OG SER A 88 6.786 39.253 -20.255 1.00 71.54 O ATOM 0 H SER A 88 4.607 40.517 -19.828 1.00 62.11 H new ATOM 0 HA SER A 88 7.089 41.851 -19.538 1.00 2.24 H new ATOM 0 HB2 SER A 88 6.018 40.237 -21.892 1.00 23.33 H new ATOM 0 HB3 SER A 88 7.703 40.570 -21.544 1.00 23.33 H new ATOM 0 HG SER A 88 5.892 39.060 -19.903 1.00 71.54 H new ATOM 1369 N VAL A 89 5.083 42.913 -21.931 1.00 74.12 N ATOM 1370 CA VAL A 89 4.840 44.013 -22.856 1.00 55.33 C ATOM 1371 C VAL A 89 4.383 45.264 -22.114 1.00 43.53 C ATOM 1372 O VAL A 89 4.792 46.378 -22.445 1.00 3.35 O ATOM 1373 CB VAL A 89 3.779 43.638 -23.908 1.00 50.34 C ATOM 1374 CG1 VAL A 89 3.484 44.823 -24.815 1.00 52.23 C ATOM 1375 CG2 VAL A 89 4.236 42.436 -24.720 1.00 64.13 C ATOM 0 H VAL A 89 4.335 42.221 -21.893 1.00 74.12 H new ATOM 0 HA VAL A 89 5.785 44.217 -23.360 1.00 55.33 H new ATOM 0 HB VAL A 89 2.858 43.369 -23.390 1.00 50.34 H new ATOM 0 HG11 VAL A 89 2.732 44.539 -25.552 1.00 52.23 H new ATOM 0 HG12 VAL A 89 3.111 45.655 -24.217 1.00 52.23 H new ATOM 0 HG13 VAL A 89 4.397 45.126 -25.327 1.00 52.23 H new ATOM 0 HG21 VAL A 89 3.474 42.185 -25.458 1.00 64.13 H new ATOM 0 HG22 VAL A 89 5.170 42.674 -25.229 1.00 64.13 H new ATOM 0 HG23 VAL A 89 4.392 41.586 -24.056 1.00 64.13 H new ATOM 1385 N CYS A 90 3.534 45.074 -21.111 1.00 24.44 N ATOM 1386 CA CYS A 90 3.021 46.187 -20.321 1.00 5.43 C ATOM 1387 C CYS A 90 4.164 47.016 -19.743 1.00 23.11 C ATOM 1388 O CYS A 90 4.100 48.245 -19.712 1.00 23.01 O ATOM 1389 CB CYS A 90 2.129 45.671 -19.192 1.00 34.42 C ATOM 1390 SG CYS A 90 1.234 46.968 -18.305 1.00 41.03 S ATOM 0 H CYS A 90 3.186 44.159 -20.825 1.00 24.44 H new ATOM 0 HA CYS A 90 2.430 46.824 -20.979 1.00 5.43 H new ATOM 0 HB2 CYS A 90 1.408 44.966 -19.606 1.00 34.42 H new ATOM 0 HB3 CYS A 90 2.744 45.118 -18.482 1.00 34.42 H new ATOM 0 HG CYS A 90 0.506 46.432 -17.371 1.00 41.03 H new ATOM 1396 N VAL A 91 5.209 46.334 -19.284 1.00 44.42 N ATOM 1397 CA VAL A 91 6.367 47.007 -18.706 1.00 52.04 C ATOM 1398 C VAL A 91 7.177 47.726 -19.779 1.00 61.54 C ATOM 1399 O VAL A 91 7.612 48.862 -19.588 1.00 11.01 O ATOM 1400 CB VAL A 91 7.282 46.013 -17.967 1.00 0.33 C ATOM 1401 CG1 VAL A 91 8.565 46.698 -17.521 1.00 50.55 C ATOM 1402 CG2 VAL A 91 6.554 45.402 -16.779 1.00 3.33 C ATOM 0 H VAL A 91 5.278 45.316 -19.301 1.00 44.42 H new ATOM 0 HA VAL A 91 5.986 47.738 -17.993 1.00 52.04 H new ATOM 0 HB VAL A 91 7.547 45.210 -18.654 1.00 0.33 H new ATOM 0 HG11 VAL A 91 9.199 45.980 -17.001 1.00 50.55 H new ATOM 0 HG12 VAL A 91 9.094 47.084 -18.393 1.00 50.55 H new ATOM 0 HG13 VAL A 91 8.323 47.522 -16.850 1.00 50.55 H new ATOM 0 HG21 VAL A 91 7.215 44.702 -16.268 1.00 3.33 H new ATOM 0 HG22 VAL A 91 6.258 46.192 -16.088 1.00 3.33 H new ATOM 0 HG23 VAL A 91 5.667 44.874 -17.128 1.00 3.33 H new ATOM 1412 N LEU A 92 7.377 47.056 -20.909 1.00 52.23 N ATOM 1413 CA LEU A 92 8.135 47.631 -22.015 1.00 70.12 C ATOM 1414 C LEU A 92 7.515 48.946 -22.475 1.00 55.15 C ATOM 1415 O LEU A 92 8.222 49.914 -22.751 1.00 54.22 O ATOM 1416 CB LEU A 92 8.196 46.646 -23.184 1.00 72.10 C ATOM 1417 CG LEU A 92 9.526 45.917 -23.379 1.00 35.43 C ATOM 1418 CD1 LEU A 92 10.596 46.880 -23.866 1.00 44.13 C ATOM 1419 CD2 LEU A 92 9.960 45.244 -22.084 1.00 53.43 C ATOM 0 H LEU A 92 7.025 46.115 -21.083 1.00 52.23 H new ATOM 0 HA LEU A 92 9.147 47.832 -21.664 1.00 70.12 H new ATOM 0 HB2 LEU A 92 7.413 45.901 -23.046 1.00 72.10 H new ATOM 0 HB3 LEU A 92 7.963 47.187 -24.101 1.00 72.10 H new ATOM 0 HG LEU A 92 9.388 45.146 -24.137 1.00 35.43 H new ATOM 0 HD11 LEU A 92 11.535 46.343 -23.999 1.00 44.13 H new ATOM 0 HD12 LEU A 92 10.289 47.315 -24.817 1.00 44.13 H new ATOM 0 HD13 LEU A 92 10.733 47.674 -23.132 1.00 44.13 H new ATOM 0 HD21 LEU A 92 10.908 44.730 -22.241 1.00 53.43 H new ATOM 0 HD22 LEU A 92 10.080 45.997 -21.305 1.00 53.43 H new ATOM 0 HD23 LEU A 92 9.203 44.522 -21.777 1.00 53.43 H new ATOM 1632 N GLY A 108 2.851 50.800 -8.928 1.00 63.43 N ATOM 1633 CA GLY A 108 2.783 49.679 -8.008 1.00 51.52 C ATOM 1634 C GLY A 108 2.212 48.433 -8.654 1.00 72.30 C ATOM 1635 O GLY A 108 2.329 47.334 -8.110 1.00 2.43 O ATOM 0 HA2 GLY A 108 3.782 49.463 -7.629 1.00 51.52 H new ATOM 0 HA3 GLY A 108 2.169 49.954 -7.150 1.00 51.52 H new ATOM 1639 N ILE A 109 1.591 48.602 -9.816 1.00 75.03 N ATOM 1640 CA ILE A 109 0.999 47.481 -10.536 1.00 14.11 C ATOM 1641 C ILE A 109 1.999 46.342 -10.698 1.00 23.11 C ATOM 1642 O ILE A 109 1.633 45.168 -10.643 1.00 20.20 O ATOM 1643 CB ILE A 109 0.494 47.908 -11.927 1.00 45.30 C ATOM 1644 CG1 ILE A 109 0.154 46.678 -12.770 1.00 74.21 C ATOM 1645 CG2 ILE A 109 1.538 48.765 -12.628 1.00 52.23 C ATOM 1646 CD1 ILE A 109 1.269 46.255 -13.700 1.00 22.51 C ATOM 0 H ILE A 109 1.485 49.504 -10.279 1.00 75.03 H new ATOM 0 HA ILE A 109 0.153 47.136 -9.942 1.00 14.11 H new ATOM 0 HB ILE A 109 -0.412 48.501 -11.803 1.00 45.30 H new ATOM 0 HG12 ILE A 109 -0.088 45.848 -12.106 1.00 74.21 H new ATOM 0 HG13 ILE A 109 -0.739 46.887 -13.359 1.00 74.21 H new ATOM 0 HG21 ILE A 109 1.167 49.059 -13.610 1.00 52.23 H new ATOM 0 HG22 ILE A 109 1.736 49.656 -12.033 1.00 52.23 H new ATOM 0 HG23 ILE A 109 2.459 48.194 -12.744 1.00 52.23 H new ATOM 0 HD11 ILE A 109 0.957 45.377 -14.266 1.00 22.51 H new ATOM 0 HD12 ILE A 109 1.497 47.069 -14.389 1.00 22.51 H new ATOM 0 HD13 ILE A 109 2.158 46.014 -13.117 1.00 22.51 H new ATOM 1658 N ASP A 110 3.264 46.697 -10.896 1.00 60.41 N ATOM 1659 CA ASP A 110 4.319 45.704 -11.063 1.00 43.12 C ATOM 1660 C ASP A 110 4.455 44.839 -9.814 1.00 13.32 C ATOM 1661 O ASP A 110 4.382 43.612 -9.885 1.00 54.42 O ATOM 1662 CB ASP A 110 5.651 46.391 -11.370 1.00 30.01 C ATOM 1663 CG ASP A 110 5.751 46.840 -12.814 1.00 44.43 C ATOM 1664 OD1 ASP A 110 4.708 46.870 -13.501 1.00 3.13 O ATOM 1665 OD2 ASP A 110 6.873 47.163 -13.258 1.00 50.11 O ATOM 0 H ASP A 110 3.584 47.664 -10.945 1.00 60.41 H new ATOM 0 HA ASP A 110 4.049 45.061 -11.900 1.00 43.12 H new ATOM 0 HB2 ASP A 110 5.771 47.254 -10.715 1.00 30.01 H new ATOM 0 HB3 ASP A 110 6.469 45.706 -11.148 1.00 30.01 H new ATOM 1670 N ARG A 111 4.653 45.487 -8.671 1.00 5.24 N ATOM 1671 CA ARG A 111 4.802 44.777 -7.406 1.00 14.32 C ATOM 1672 C ARG A 111 3.605 43.865 -7.151 1.00 2.21 C ATOM 1673 O ARG A 111 3.733 42.818 -6.515 1.00 4.34 O ATOM 1674 CB ARG A 111 4.953 45.772 -6.253 1.00 62.41 C ATOM 1675 CG ARG A 111 6.186 45.529 -5.398 1.00 0.22 C ATOM 1676 CD ARG A 111 7.389 46.296 -5.924 1.00 51.32 C ATOM 1677 NE ARG A 111 8.122 46.967 -4.854 1.00 14.03 N ATOM 1678 CZ ARG A 111 7.748 48.125 -4.321 1.00 42.43 C ATOM 1679 NH1 ARG A 111 6.656 48.738 -4.758 1.00 23.14 N ATOM 1680 NH2 ARG A 111 8.467 48.673 -3.350 1.00 3.01 N ATOM 0 H ARG A 111 4.714 46.502 -8.595 1.00 5.24 H new ATOM 0 HA ARG A 111 5.700 44.162 -7.466 1.00 14.32 H new ATOM 0 HB2 ARG A 111 4.996 46.783 -6.659 1.00 62.41 H new ATOM 0 HB3 ARG A 111 4.067 45.720 -5.621 1.00 62.41 H new ATOM 0 HG2 ARG A 111 5.982 45.830 -4.370 1.00 0.22 H new ATOM 0 HG3 ARG A 111 6.413 44.463 -5.379 1.00 0.22 H new ATOM 0 HD2 ARG A 111 8.056 45.610 -6.445 1.00 51.32 H new ATOM 0 HD3 ARG A 111 7.057 47.034 -6.654 1.00 51.32 H new ATOM 0 HE ARG A 111 8.967 46.522 -4.496 1.00 14.03 H new ATOM 0 HH11 ARG A 111 6.101 48.320 -5.505 1.00 23.14 H new ATOM 0 HH12 ARG A 111 6.371 49.627 -4.347 1.00 23.14 H new ATOM 0 HH21 ARG A 111 9.308 48.205 -3.012 1.00 3.01 H new ATOM 0 HH22 ARG A 111 8.179 49.562 -2.942 1.00 3.01 H new ATOM 1694 N LEU A 112 2.443 44.269 -7.651 1.00 12.42 N ATOM 1695 CA LEU A 112 1.222 43.489 -7.477 1.00 45.14 C ATOM 1696 C LEU A 112 1.319 42.157 -8.214 1.00 54.03 C ATOM 1697 O LEU A 112 0.981 41.107 -7.667 1.00 25.02 O ATOM 1698 CB LEU A 112 0.013 44.278 -7.982 1.00 40.01 C ATOM 1699 CG LEU A 112 -0.853 44.939 -6.909 1.00 21.42 C ATOM 1700 CD1 LEU A 112 -1.750 46.001 -7.526 1.00 21.44 C ATOM 1701 CD2 LEU A 112 -1.684 43.895 -6.177 1.00 73.24 C ATOM 0 H LEU A 112 2.320 45.132 -8.180 1.00 12.42 H new ATOM 0 HA LEU A 112 1.097 43.287 -6.413 1.00 45.14 H new ATOM 0 HB2 LEU A 112 0.368 45.052 -8.662 1.00 40.01 H new ATOM 0 HB3 LEU A 112 -0.616 43.606 -8.565 1.00 40.01 H new ATOM 0 HG LEU A 112 -0.196 45.423 -6.186 1.00 21.42 H new ATOM 0 HD11 LEU A 112 -2.359 46.460 -6.747 1.00 21.44 H new ATOM 0 HD12 LEU A 112 -1.135 46.764 -8.003 1.00 21.44 H new ATOM 0 HD13 LEU A 112 -2.400 45.541 -8.270 1.00 21.44 H new ATOM 0 HD21 LEU A 112 -2.294 44.383 -5.417 1.00 73.24 H new ATOM 0 HD22 LEU A 112 -2.332 43.382 -6.888 1.00 73.24 H new ATOM 0 HD23 LEU A 112 -1.022 43.171 -5.701 1.00 73.24 H new ATOM 1713 N PHE A 113 1.783 42.207 -9.458 1.00 53.25 N ATOM 1714 CA PHE A 113 1.925 41.004 -10.270 1.00 52.35 C ATOM 1715 C PHE A 113 3.005 40.089 -9.702 1.00 45.02 C ATOM 1716 O PHE A 113 2.993 38.878 -9.929 1.00 55.43 O ATOM 1717 CB PHE A 113 2.263 41.376 -11.716 1.00 24.14 C ATOM 1718 CG PHE A 113 3.233 40.431 -12.366 1.00 40.11 C ATOM 1719 CD1 PHE A 113 2.780 39.311 -13.045 1.00 11.30 C ATOM 1720 CD2 PHE A 113 4.597 40.663 -12.299 1.00 64.22 C ATOM 1721 CE1 PHE A 113 3.670 38.440 -13.644 1.00 21.03 C ATOM 1722 CE2 PHE A 113 5.492 39.795 -12.896 1.00 44.14 C ATOM 1723 CZ PHE A 113 5.028 38.683 -13.570 1.00 71.24 C ATOM 0 H PHE A 113 2.067 43.068 -9.926 1.00 53.25 H new ATOM 0 HA PHE A 113 0.975 40.469 -10.252 1.00 52.35 H new ATOM 0 HB2 PHE A 113 1.344 41.400 -12.301 1.00 24.14 H new ATOM 0 HB3 PHE A 113 2.680 42.383 -11.736 1.00 24.14 H new ATOM 0 HD1 PHE A 113 1.719 39.117 -13.107 1.00 11.30 H new ATOM 0 HD2 PHE A 113 4.965 41.532 -11.774 1.00 64.22 H new ATOM 0 HE1 PHE A 113 3.304 37.570 -14.169 1.00 21.03 H new ATOM 0 HE2 PHE A 113 6.553 39.987 -12.835 1.00 44.14 H new ATOM 0 HZ PHE A 113 5.725 38.004 -14.039 1.00 71.24 H new ATOM 1733 N LEU A 114 3.940 40.676 -8.963 1.00 23.21 N ATOM 1734 CA LEU A 114 5.030 39.914 -8.362 1.00 12.53 C ATOM 1735 C LEU A 114 4.509 38.991 -7.266 1.00 35.35 C ATOM 1736 O LEU A 114 4.905 37.828 -7.179 1.00 51.53 O ATOM 1737 CB LEU A 114 6.084 40.862 -7.787 1.00 41.31 C ATOM 1738 CG LEU A 114 7.284 41.157 -8.688 1.00 22.42 C ATOM 1739 CD1 LEU A 114 7.013 42.374 -9.558 1.00 74.21 C ATOM 1740 CD2 LEU A 114 8.539 41.365 -7.853 1.00 2.12 C ATOM 0 H LEU A 114 3.966 41.676 -8.765 1.00 23.21 H new ATOM 0 HA LEU A 114 5.486 39.302 -9.141 1.00 12.53 H new ATOM 0 HB2 LEU A 114 5.599 41.807 -7.541 1.00 41.31 H new ATOM 0 HB3 LEU A 114 6.452 40.440 -6.852 1.00 41.31 H new ATOM 0 HG LEU A 114 7.443 40.299 -9.340 1.00 22.42 H new ATOM 0 HD11 LEU A 114 7.878 42.568 -10.192 1.00 74.21 H new ATOM 0 HD12 LEU A 114 6.140 42.187 -10.183 1.00 74.21 H new ATOM 0 HD13 LEU A 114 6.826 43.241 -8.924 1.00 74.21 H new ATOM 0 HD21 LEU A 114 9.383 41.574 -8.510 1.00 2.12 H new ATOM 0 HD22 LEU A 114 8.390 42.206 -7.176 1.00 2.12 H new ATOM 0 HD23 LEU A 114 8.744 40.465 -7.274 1.00 2.12 H new ATOM 1752 N TRP A 115 3.617 39.515 -6.432 1.00 62.21 N ATOM 1753 CA TRP A 115 3.040 38.736 -5.343 1.00 33.05 C ATOM 1754 C TRP A 115 1.920 37.835 -5.851 1.00 63.45 C ATOM 1755 O TRP A 115 1.819 36.673 -5.457 1.00 20.44 O ATOM 1756 CB TRP A 115 2.506 39.665 -4.251 1.00 4.31 C ATOM 1757 CG TRP A 115 2.310 38.981 -2.932 1.00 21.00 C ATOM 1758 CD1 TRP A 115 1.329 38.087 -2.610 1.00 53.34 C ATOM 1759 CD2 TRP A 115 3.114 39.137 -1.758 1.00 22.43 C ATOM 1760 NE1 TRP A 115 1.474 37.678 -1.307 1.00 24.02 N ATOM 1761 CE2 TRP A 115 2.563 38.306 -0.762 1.00 52.51 C ATOM 1762 CE3 TRP A 115 4.247 39.895 -1.451 1.00 24.42 C ATOM 1763 CZ2 TRP A 115 3.106 38.216 0.516 1.00 5.14 C ATOM 1764 CZ3 TRP A 115 4.786 39.804 -0.181 1.00 54.03 C ATOM 1765 CH2 TRP A 115 4.216 38.969 0.789 1.00 12.44 C ATOM 0 H TRP A 115 3.278 40.475 -6.489 1.00 62.21 H new ATOM 0 HA TRP A 115 3.826 38.107 -4.924 1.00 33.05 H new ATOM 0 HB2 TRP A 115 3.198 40.497 -4.121 1.00 4.31 H new ATOM 0 HB3 TRP A 115 1.556 40.089 -4.577 1.00 4.31 H new ATOM 0 HD1 TRP A 115 0.553 37.751 -3.282 1.00 53.34 H new ATOM 0 HE1 TRP A 115 0.869 37.014 -0.823 1.00 24.02 H new ATOM 0 HE3 TRP A 115 4.694 40.541 -2.193 1.00 24.42 H new ATOM 0 HZ2 TRP A 115 2.667 37.575 1.266 1.00 5.14 H new ATOM 0 HZ3 TRP A 115 5.661 40.386 0.067 1.00 54.03 H new ATOM 0 HH2 TRP A 115 4.661 38.918 1.772 1.00 12.44 H new ATOM 1776 N ILE A 116 1.083 38.377 -6.729 1.00 72.41 N ATOM 1777 CA ILE A 116 -0.028 37.620 -7.292 1.00 72.52 C ATOM 1778 C ILE A 116 0.462 36.343 -7.966 1.00 63.34 C ATOM 1779 O ILE A 116 -0.282 35.371 -8.095 1.00 71.44 O ATOM 1780 CB ILE A 116 -0.818 38.456 -8.316 1.00 12.31 C ATOM 1781 CG1 ILE A 116 -2.306 38.105 -8.255 1.00 11.14 C ATOM 1782 CG2 ILE A 116 -0.272 38.231 -9.718 1.00 74.00 C ATOM 1783 CD1 ILE A 116 -3.216 39.279 -8.541 1.00 72.12 C ATOM 0 H ILE A 116 1.153 39.337 -7.066 1.00 72.41 H new ATOM 0 HA ILE A 116 -0.685 37.361 -6.462 1.00 72.52 H new ATOM 0 HB ILE A 116 -0.703 39.511 -8.067 1.00 12.31 H new ATOM 0 HG12 ILE A 116 -2.514 37.312 -8.973 1.00 11.14 H new ATOM 0 HG13 ILE A 116 -2.537 37.709 -7.266 1.00 11.14 H new ATOM 0 HG21 ILE A 116 -0.841 38.829 -10.430 1.00 74.00 H new ATOM 0 HG22 ILE A 116 0.777 38.527 -9.752 1.00 74.00 H new ATOM 0 HG23 ILE A 116 -0.360 37.176 -9.978 1.00 74.00 H new ATOM 0 HD11 ILE A 116 -4.256 38.957 -8.480 1.00 72.12 H new ATOM 0 HD12 ILE A 116 -3.037 40.065 -7.808 1.00 72.12 H new ATOM 0 HD13 ILE A 116 -3.013 39.662 -9.541 1.00 72.12 H new ATOM 1795 N PHE A 117 1.721 36.352 -8.394 1.00 33.45 N ATOM 1796 CA PHE A 117 2.312 35.194 -9.054 1.00 60.20 C ATOM 1797 C PHE A 117 2.770 34.159 -8.031 1.00 31.25 C ATOM 1798 O PHE A 117 2.318 33.014 -8.043 1.00 75.14 O ATOM 1799 CB PHE A 117 3.495 35.625 -9.924 1.00 55.10 C ATOM 1800 CG PHE A 117 3.285 35.370 -11.389 1.00 41.13 C ATOM 1801 CD1 PHE A 117 2.111 35.761 -12.013 1.00 62.42 C ATOM 1802 CD2 PHE A 117 4.262 34.739 -12.143 1.00 10.23 C ATOM 1803 CE1 PHE A 117 1.915 35.528 -13.362 1.00 24.25 C ATOM 1804 CE2 PHE A 117 4.072 34.504 -13.491 1.00 40.23 C ATOM 1805 CZ PHE A 117 2.897 34.898 -14.101 1.00 71.22 C ATOM 0 H PHE A 117 2.351 37.148 -8.295 1.00 33.45 H new ATOM 0 HA PHE A 117 1.550 34.740 -9.687 1.00 60.20 H new ATOM 0 HB2 PHE A 117 3.680 36.688 -9.771 1.00 55.10 H new ATOM 0 HB3 PHE A 117 4.389 35.095 -9.596 1.00 55.10 H new ATOM 0 HD1 PHE A 117 1.340 36.253 -11.439 1.00 62.42 H new ATOM 0 HD2 PHE A 117 5.182 34.428 -11.671 1.00 10.23 H new ATOM 0 HE1 PHE A 117 0.996 35.838 -13.837 1.00 24.25 H new ATOM 0 HE2 PHE A 117 4.842 34.013 -14.068 1.00 40.23 H new ATOM 0 HZ PHE A 117 2.746 34.714 -15.154 1.00 71.22 H new ATOM 1815 N VAL A 118 3.671 34.570 -7.144 1.00 45.25 N ATOM 1816 CA VAL A 118 4.191 33.680 -6.113 1.00 43.13 C ATOM 1817 C VAL A 118 3.059 33.039 -5.319 1.00 20.11 C ATOM 1818 O VAL A 118 3.202 31.933 -4.796 1.00 15.40 O ATOM 1819 CB VAL A 118 5.124 34.429 -5.143 1.00 50.42 C ATOM 1820 CG1 VAL A 118 5.487 33.544 -3.960 1.00 51.55 C ATOM 1821 CG2 VAL A 118 6.374 34.905 -5.867 1.00 64.24 C ATOM 0 H VAL A 118 4.056 35.514 -7.119 1.00 45.25 H new ATOM 0 HA VAL A 118 4.759 32.902 -6.623 1.00 43.13 H new ATOM 0 HB VAL A 118 4.597 35.304 -4.763 1.00 50.42 H new ATOM 0 HG11 VAL A 118 6.147 34.090 -3.286 1.00 51.55 H new ATOM 0 HG12 VAL A 118 4.580 33.258 -3.428 1.00 51.55 H new ATOM 0 HG13 VAL A 118 5.995 32.648 -4.318 1.00 51.55 H new ATOM 0 HG21 VAL A 118 7.022 35.432 -5.166 1.00 64.24 H new ATOM 0 HG22 VAL A 118 6.906 34.047 -6.278 1.00 64.24 H new ATOM 0 HG23 VAL A 118 6.092 35.578 -6.677 1.00 64.24 H new ATOM 1831 N PHE A 119 1.933 33.740 -5.233 1.00 23.13 N ATOM 1832 CA PHE A 119 0.775 33.239 -4.501 1.00 42.44 C ATOM 1833 C PHE A 119 0.134 32.065 -5.235 1.00 44.14 C ATOM 1834 O PHE A 119 0.035 30.962 -4.698 1.00 63.11 O ATOM 1835 CB PHE A 119 -0.253 34.356 -4.306 1.00 61.33 C ATOM 1836 CG PHE A 119 -0.935 34.315 -2.969 1.00 12.31 C ATOM 1837 CD1 PHE A 119 -0.236 34.614 -1.810 1.00 72.14 C ATOM 1838 CD2 PHE A 119 -2.275 33.978 -2.870 1.00 55.21 C ATOM 1839 CE1 PHE A 119 -0.861 34.578 -0.578 1.00 71.01 C ATOM 1840 CE2 PHE A 119 -2.906 33.941 -1.641 1.00 2.03 C ATOM 1841 CZ PHE A 119 -2.198 34.240 -0.493 1.00 45.12 C ATOM 0 H PHE A 119 1.798 34.656 -5.661 1.00 23.13 H new ATOM 0 HA PHE A 119 1.115 32.892 -3.525 1.00 42.44 H new ATOM 0 HB2 PHE A 119 0.243 35.320 -4.423 1.00 61.33 H new ATOM 0 HB3 PHE A 119 -1.006 34.287 -5.091 1.00 61.33 H new ATOM 0 HD1 PHE A 119 0.809 34.878 -1.870 1.00 72.14 H new ATOM 0 HD2 PHE A 119 -2.833 33.741 -3.764 1.00 55.21 H new ATOM 0 HE1 PHE A 119 -0.305 34.814 0.317 1.00 71.01 H new ATOM 0 HE2 PHE A 119 -3.952 33.679 -1.578 1.00 2.03 H new ATOM 0 HZ PHE A 119 -2.688 34.210 0.469 1.00 45.12 H new ATOM 1851 N VAL A 120 -0.300 32.311 -6.467 1.00 72.04 N ATOM 1852 CA VAL A 120 -0.931 31.275 -7.276 1.00 52.15 C ATOM 1853 C VAL A 120 0.037 30.132 -7.558 1.00 20.41 C ATOM 1854 O VAL A 120 -0.379 29.007 -7.838 1.00 74.11 O ATOM 1855 CB VAL A 120 -1.442 31.842 -8.614 1.00 72.45 C ATOM 1856 CG1 VAL A 120 -0.288 32.395 -9.436 1.00 62.21 C ATOM 1857 CG2 VAL A 120 -2.197 30.773 -9.391 1.00 44.25 C ATOM 0 H VAL A 120 -0.226 33.219 -6.927 1.00 72.04 H new ATOM 0 HA VAL A 120 -1.777 30.897 -6.703 1.00 52.15 H new ATOM 0 HB VAL A 120 -2.130 32.660 -8.403 1.00 72.45 H new ATOM 0 HG11 VAL A 120 -0.669 32.791 -10.377 1.00 62.21 H new ATOM 0 HG12 VAL A 120 0.205 33.192 -8.880 1.00 62.21 H new ATOM 0 HG13 VAL A 120 0.428 31.599 -9.640 1.00 62.21 H new ATOM 0 HG21 VAL A 120 -2.551 31.190 -10.334 1.00 44.25 H new ATOM 0 HG22 VAL A 120 -1.533 29.933 -9.593 1.00 44.25 H new ATOM 0 HG23 VAL A 120 -3.048 30.429 -8.804 1.00 44.25 H new ATOM 1867 N CYS A 121 1.330 30.426 -7.481 1.00 51.31 N ATOM 1868 CA CYS A 121 2.359 29.422 -7.728 1.00 51.41 C ATOM 1869 C CYS A 121 2.555 28.533 -6.505 1.00 21.40 C ATOM 1870 O CYS A 121 2.522 27.306 -6.605 1.00 23.02 O ATOM 1871 CB CYS A 121 3.680 30.097 -8.100 1.00 60.02 C ATOM 1872 SG CYS A 121 5.148 29.128 -7.681 1.00 73.42 S ATOM 0 H CYS A 121 1.691 31.351 -7.249 1.00 51.31 H new ATOM 0 HA CYS A 121 2.031 28.798 -8.560 1.00 51.41 H new ATOM 0 HB2 CYS A 121 3.684 30.298 -9.171 1.00 60.02 H new ATOM 0 HB3 CYS A 121 3.738 31.061 -7.595 1.00 60.02 H new ATOM 0 HG CYS A 121 6.215 29.781 -8.036 1.00 73.42 H new ATOM 1878 N VAL A 122 2.761 29.159 -5.351 1.00 31.13 N ATOM 1879 CA VAL A 122 2.963 28.424 -4.108 1.00 4.33 C ATOM 1880 C VAL A 122 1.745 27.574 -3.767 1.00 72.22 C ATOM 1881 O VAL A 122 1.874 26.418 -3.363 1.00 42.10 O ATOM 1882 CB VAL A 122 3.255 29.378 -2.933 1.00 72.55 C ATOM 1883 CG1 VAL A 122 3.082 28.657 -1.605 1.00 52.11 C ATOM 1884 CG2 VAL A 122 4.655 29.960 -3.055 1.00 70.42 C ATOM 0 H VAL A 122 2.792 30.174 -5.251 1.00 31.13 H new ATOM 0 HA VAL A 122 3.824 27.774 -4.262 1.00 4.33 H new ATOM 0 HB VAL A 122 2.540 30.200 -2.968 1.00 72.55 H new ATOM 0 HG11 VAL A 122 3.292 29.346 -0.787 1.00 52.11 H new ATOM 0 HG12 VAL A 122 2.058 28.293 -1.519 1.00 52.11 H new ATOM 0 HG13 VAL A 122 3.772 27.814 -1.556 1.00 52.11 H new ATOM 0 HG21 VAL A 122 4.844 30.631 -2.217 1.00 70.42 H new ATOM 0 HG22 VAL A 122 5.387 29.152 -3.045 1.00 70.42 H new ATOM 0 HG23 VAL A 122 4.738 30.514 -3.990 1.00 70.42 H new ATOM 1894 N PHE A 123 0.561 28.153 -3.934 1.00 15.33 N ATOM 1895 CA PHE A 123 -0.683 27.449 -3.644 1.00 22.24 C ATOM 1896 C PHE A 123 -0.818 26.203 -4.514 1.00 23.43 C ATOM 1897 O PHE A 123 -0.875 25.082 -4.008 1.00 52.43 O ATOM 1898 CB PHE A 123 -1.882 28.373 -3.867 1.00 64.13 C ATOM 1899 CG PHE A 123 -3.205 27.708 -3.619 1.00 55.25 C ATOM 1900 CD1 PHE A 123 -3.463 27.076 -2.414 1.00 13.13 C ATOM 1901 CD2 PHE A 123 -4.192 27.716 -4.592 1.00 33.20 C ATOM 1902 CE1 PHE A 123 -4.680 26.463 -2.184 1.00 33.05 C ATOM 1903 CE2 PHE A 123 -5.412 27.105 -4.367 1.00 64.43 C ATOM 1904 CZ PHE A 123 -5.656 26.478 -3.161 1.00 11.30 C ATOM 0 H PHE A 123 0.436 29.108 -4.269 1.00 15.33 H new ATOM 0 HA PHE A 123 -0.661 27.141 -2.599 1.00 22.24 H new ATOM 0 HB2 PHE A 123 -1.791 29.238 -3.211 1.00 64.13 H new ATOM 0 HB3 PHE A 123 -1.858 28.746 -4.891 1.00 64.13 H new ATOM 0 HD1 PHE A 123 -2.704 27.062 -1.645 1.00 13.13 H new ATOM 0 HD2 PHE A 123 -4.006 28.205 -5.537 1.00 33.20 H new ATOM 0 HE1 PHE A 123 -4.868 25.972 -1.240 1.00 33.05 H new ATOM 0 HE2 PHE A 123 -6.173 27.118 -5.133 1.00 64.43 H new ATOM 0 HZ PHE A 123 -6.608 26.000 -2.982 1.00 11.30 H new ATOM 1914 N GLY A 124 -0.868 26.407 -5.827 1.00 12.24 N ATOM 1915 CA GLY A 124 -0.997 25.292 -6.747 1.00 2.43 C ATOM 1916 C GLY A 124 0.093 24.256 -6.558 1.00 43.20 C ATOM 1917 O GLY A 124 -0.181 23.057 -6.505 1.00 32.15 O ATOM 0 H GLY A 124 -0.821 27.325 -6.270 1.00 12.24 H new ATOM 0 HA2 GLY A 124 -1.970 24.821 -6.608 1.00 2.43 H new ATOM 0 HA3 GLY A 124 -0.967 25.664 -7.771 1.00 2.43 H new ATOM 1921 N THR A 125 1.336 24.718 -6.458 1.00 40.13 N ATOM 1922 CA THR A 125 2.472 23.823 -6.278 1.00 11.04 C ATOM 1923 C THR A 125 2.316 22.984 -5.014 1.00 53.52 C ATOM 1924 O THR A 125 2.264 21.756 -5.076 1.00 71.32 O ATOM 1925 CB THR A 125 3.797 24.605 -6.200 1.00 53.14 C ATOM 1926 OG1 THR A 125 4.078 25.217 -7.464 1.00 4.42 O ATOM 1927 CG2 THR A 125 4.945 23.687 -5.809 1.00 11.23 C ATOM 0 H THR A 125 1.581 25.707 -6.499 1.00 40.13 H new ATOM 0 HA THR A 125 2.497 23.166 -7.147 1.00 11.04 H new ATOM 0 HB THR A 125 3.694 25.377 -5.437 1.00 53.14 H new ATOM 0 HG1 THR A 125 3.627 26.086 -7.514 1.00 4.42 H new ATOM 0 HG21 THR A 125 5.870 24.262 -5.760 1.00 11.23 H new ATOM 0 HG22 THR A 125 4.741 23.244 -4.834 1.00 11.23 H new ATOM 0 HG23 THR A 125 5.048 22.896 -6.552 1.00 11.23 H new ATOM 1935 N ILE A 126 2.240 23.656 -3.870 1.00 23.51 N ATOM 1936 CA ILE A 126 2.088 22.971 -2.592 1.00 71.01 C ATOM 1937 C ILE A 126 0.907 22.006 -2.623 1.00 5.12 C ATOM 1938 O ILE A 126 0.935 20.955 -1.984 1.00 72.23 O ATOM 1939 CB ILE A 126 1.889 23.971 -1.438 1.00 1.11 C ATOM 1940 CG1 ILE A 126 3.234 24.559 -1.006 1.00 22.52 C ATOM 1941 CG2 ILE A 126 1.199 23.294 -0.263 1.00 71.13 C ATOM 1942 CD1 ILE A 126 3.109 25.672 0.010 1.00 32.14 C ATOM 0 H ILE A 126 2.281 24.673 -3.802 1.00 23.51 H new ATOM 0 HA ILE A 126 3.008 22.411 -2.422 1.00 71.01 H new ATOM 0 HB ILE A 126 1.253 24.785 -1.788 1.00 1.11 H new ATOM 0 HG12 ILE A 126 3.851 23.764 -0.588 1.00 22.52 H new ATOM 0 HG13 ILE A 126 3.755 24.938 -1.885 1.00 22.52 H new ATOM 0 HG21 ILE A 126 1.066 24.014 0.545 1.00 71.13 H new ATOM 0 HG22 ILE A 126 0.226 22.919 -0.579 1.00 71.13 H new ATOM 0 HG23 ILE A 126 1.811 22.463 0.089 1.00 71.13 H new ATOM 0 HD11 ILE A 126 4.101 26.041 0.270 1.00 32.14 H new ATOM 0 HD12 ILE A 126 2.519 26.485 -0.412 1.00 32.14 H new ATOM 0 HD13 ILE A 126 2.617 25.293 0.906 1.00 32.14 H new ATOM 1954 N GLY A 127 -0.129 22.371 -3.372 1.00 21.32 N ATOM 1955 CA GLY A 127 -1.304 21.526 -3.474 1.00 34.24 C ATOM 1956 C GLY A 127 -0.977 20.135 -3.980 1.00 3.14 C ATOM 1957 O GLY A 127 -1.215 19.144 -3.290 1.00 11.32 O ATOM 0 H GLY A 127 -0.175 23.237 -3.910 1.00 21.32 H new ATOM 0 HA2 GLY A 127 -1.779 21.451 -2.496 1.00 34.24 H new ATOM 0 HA3 GLY A 127 -2.026 21.993 -4.144 1.00 34.24 H new ATOM 1961 N MET A 128 -0.430 20.061 -5.189 1.00 21.43 N ATOM 1962 CA MET A 128 -0.070 18.780 -5.787 1.00 3.25 C ATOM 1963 C MET A 128 1.178 18.203 -5.125 1.00 13.00 C ATOM 1964 O MET A 128 1.408 16.994 -5.160 1.00 1.10 O ATOM 1965 CB MET A 128 0.165 18.943 -7.290 1.00 32.24 C ATOM 1966 CG MET A 128 1.371 19.805 -7.627 1.00 34.23 C ATOM 1967 SD MET A 128 1.487 20.178 -9.387 1.00 12.52 S ATOM 1968 CE MET A 128 0.028 21.192 -9.615 1.00 0.42 C ATOM 0 H MET A 128 -0.226 20.872 -5.773 1.00 21.43 H new ATOM 0 HA MET A 128 -0.897 18.088 -5.629 1.00 3.25 H new ATOM 0 HB2 MET A 128 0.296 17.958 -7.738 1.00 32.24 H new ATOM 0 HB3 MET A 128 -0.724 19.383 -7.743 1.00 32.24 H new ATOM 0 HG2 MET A 128 1.315 20.737 -7.065 1.00 34.23 H new ATOM 0 HG3 MET A 128 2.279 19.294 -7.307 1.00 34.23 H new ATOM 0 HE1 MET A 128 0.192 21.885 -10.440 1.00 0.42 H new ATOM 0 HE2 MET A 128 -0.827 20.554 -9.841 1.00 0.42 H new ATOM 0 HE3 MET A 128 -0.170 21.755 -8.703 1.00 0.42 H new ATOM 1978 N PHE A 129 1.980 19.075 -4.523 1.00 31.22 N ATOM 1979 CA PHE A 129 3.205 18.651 -3.854 1.00 52.44 C ATOM 1980 C PHE A 129 2.890 17.932 -2.546 1.00 72.44 C ATOM 1981 O PHE A 129 3.751 17.271 -1.965 1.00 24.40 O ATOM 1982 CB PHE A 129 4.105 19.858 -3.582 1.00 3.04 C ATOM 1983 CG PHE A 129 5.462 19.487 -3.054 1.00 73.32 C ATOM 1984 CD1 PHE A 129 6.505 19.208 -3.923 1.00 33.54 C ATOM 1985 CD2 PHE A 129 5.694 19.416 -1.690 1.00 14.20 C ATOM 1986 CE1 PHE A 129 7.754 18.866 -3.441 1.00 23.24 C ATOM 1987 CE2 PHE A 129 6.941 19.076 -1.202 1.00 61.52 C ATOM 1988 CZ PHE A 129 7.972 18.799 -2.078 1.00 63.25 C ATOM 0 H PHE A 129 1.804 20.079 -4.485 1.00 31.22 H new ATOM 0 HA PHE A 129 3.728 17.957 -4.512 1.00 52.44 H new ATOM 0 HB2 PHE A 129 4.226 20.426 -4.504 1.00 3.04 H new ATOM 0 HB3 PHE A 129 3.612 20.515 -2.865 1.00 3.04 H new ATOM 0 HD1 PHE A 129 6.340 19.258 -4.989 1.00 33.54 H new ATOM 0 HD2 PHE A 129 4.891 19.629 -1.000 1.00 14.20 H new ATOM 0 HE1 PHE A 129 8.559 18.651 -4.129 1.00 23.24 H new ATOM 0 HE2 PHE A 129 7.109 19.027 -0.136 1.00 61.52 H new ATOM 0 HZ PHE A 129 8.947 18.531 -1.699 1.00 63.25 H new ATOM 1998 N LEU A 130 1.650 18.065 -2.089 1.00 10.14 N ATOM 1999 CA LEU A 130 1.219 17.428 -0.849 1.00 5.43 C ATOM 2000 C LEU A 130 0.911 15.952 -1.073 1.00 61.54 C ATOM 2001 O LEU A 130 0.982 15.145 -0.146 1.00 53.52 O ATOM 2002 CB LEU A 130 -0.014 18.139 -0.289 1.00 1.13 C ATOM 2003 CG LEU A 130 0.112 18.679 1.136 1.00 33.14 C ATOM 2004 CD1 LEU A 130 -0.130 20.180 1.162 1.00 55.11 C ATOM 2005 CD2 LEU A 130 -0.859 17.964 2.065 1.00 53.31 C ATOM 0 H LEU A 130 0.925 18.608 -2.558 1.00 10.14 H new ATOM 0 HA LEU A 130 2.033 17.504 -0.129 1.00 5.43 H new ATOM 0 HB2 LEU A 130 -0.261 18.969 -0.950 1.00 1.13 H new ATOM 0 HB3 LEU A 130 -0.854 17.445 -0.320 1.00 1.13 H new ATOM 0 HG LEU A 130 1.126 18.490 1.487 1.00 33.14 H new ATOM 0 HD11 LEU A 130 -0.036 20.546 2.184 1.00 55.11 H new ATOM 0 HD12 LEU A 130 0.605 20.678 0.529 1.00 55.11 H new ATOM 0 HD13 LEU A 130 -1.132 20.393 0.791 1.00 55.11 H new ATOM 0 HD21 LEU A 130 -0.756 18.361 3.075 1.00 53.31 H new ATOM 0 HD22 LEU A 130 -1.879 18.122 1.716 1.00 53.31 H new ATOM 0 HD23 LEU A 130 -0.638 16.897 2.070 1.00 53.31 H new