USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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: I 7 MET CE :methyl 148:sc= -0.644 (180deg=-1.43) USER MOD Set 1.2: I 8 MET CE :methyl -167:sc= -6.09! (180deg=-6.21!) USER MOD Set 2.1: C 69 SER OG : rot -61:sc= 0.0668 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 13 THR OG1 : rot -102:sc= 0.0466 USER MOD Single : C 16 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.33) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -9.08! C(o=-9.1!,f=-16!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= 0 USER MOD Single : C 37 SER OG : rot -51:sc= -5.57! USER MOD Single : C 38 THR OG1 : rot -81:sc= -0.141 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 162:sc=-0.00154 (180deg=-0.196) USER MOD Single : C 45 MET CE :methyl 162:sc= -7.38! (180deg=-7.73!) USER MOD Single : C 47 MET CE :methyl -136:sc= -1.12 (180deg=-5.57!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : C 53 THR OG1 : rot -94:sc= 0.119 USER MOD Single : C 58 GLN :FLIP amide:sc= -0.888! F(o=-1.7,f=-0.89!) USER MOD Single : C 60 MET CE :methyl -137:sc= -0.196 (180deg=-1.38) USER MOD Single : C 80 MET CE :methyl -141:sc= -0.338 (180deg=-1.77!) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 3 SER OG : rot 180:sc= 0 USER MOD Single : I 9 GLN : amide:sc= -4.23! C(o=-4.2!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 55.835 -11.927 14.411 1.00 0.00 N ATOM 45 CA ILE C 4 54.645 -11.057 14.161 1.00 0.00 C ATOM 46 C ILE C 4 54.666 -10.515 12.729 1.00 0.00 C ATOM 47 O ILE C 4 53.735 -10.703 11.970 1.00 0.00 O ATOM 48 CB ILE C 4 54.753 -9.913 15.170 1.00 0.00 C ATOM 49 CG1 ILE C 4 54.989 -10.487 16.569 1.00 0.00 C ATOM 50 CG2 ILE C 4 53.453 -9.106 15.166 1.00 0.00 C ATOM 51 CD1 ILE C 4 55.071 -9.343 17.581 1.00 0.00 C ATOM 0 HA ILE C 4 53.712 -11.608 14.276 1.00 0.00 H new ATOM 0 HB ILE C 4 55.586 -9.265 14.896 1.00 0.00 H new ATOM 0 HG12 ILE C 4 54.180 -11.166 16.837 1.00 0.00 H new ATOM 0 HG13 ILE C 4 55.911 -11.068 16.585 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.529 -8.290 15.885 1.00 0.00 H new ATOM 0 HG22 ILE C 4 53.282 -8.697 14.170 1.00 0.00 H new ATOM 0 HG23 ILE C 4 52.621 -9.755 15.440 1.00 0.00 H new ATOM 0 HD11 ILE C 4 55.239 -9.750 18.578 1.00 0.00 H new ATOM 0 HD12 ILE C 4 55.895 -8.681 17.316 1.00 0.00 H new ATOM 0 HD13 ILE C 4 54.137 -8.781 17.571 1.00 0.00 H new ATOM 63 N TYR C 5 55.717 -9.844 12.353 1.00 0.00 N ATOM 64 CA TYR C 5 55.795 -9.291 10.971 1.00 0.00 C ATOM 65 C TYR C 5 56.099 -10.409 9.970 1.00 0.00 C ATOM 66 O TYR C 5 55.468 -10.519 8.937 1.00 0.00 O ATOM 67 CB TYR C 5 56.939 -8.280 11.011 1.00 0.00 C ATOM 68 CG TYR C 5 56.637 -7.222 12.046 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.853 -6.113 11.705 1.00 0.00 C ATOM 70 CD2 TYR C 5 57.139 -7.351 13.347 1.00 0.00 C ATOM 71 CE1 TYR C 5 55.570 -5.133 12.666 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.856 -6.373 14.307 1.00 0.00 C ATOM 73 CZ TYR C 5 56.072 -5.264 13.967 1.00 0.00 C ATOM 74 OH TYR C 5 55.794 -4.299 14.913 1.00 0.00 O ATOM 0 H TYR C 5 56.527 -9.654 12.943 1.00 0.00 H new ATOM 0 HA TYR C 5 54.858 -8.831 10.657 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.875 -8.783 11.252 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.067 -7.820 10.031 1.00 0.00 H new ATOM 0 HD1 TYR C 5 55.466 -6.013 10.702 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.745 -8.206 13.610 1.00 0.00 H new ATOM 0 HE1 TYR C 5 54.965 -4.277 12.404 1.00 0.00 H new ATOM 0 HE2 TYR C 5 57.242 -6.474 15.310 1.00 0.00 H new ATOM 0 HH TYR C 5 56.217 -4.543 15.763 1.00 0.00 H new ATOM 84 N LYS C 6 57.060 -11.239 10.266 1.00 0.00 N ATOM 85 CA LYS C 6 57.400 -12.347 9.328 1.00 0.00 C ATOM 86 C LYS C 6 56.126 -13.053 8.858 1.00 0.00 C ATOM 87 O LYS C 6 56.093 -13.657 7.805 1.00 0.00 O ATOM 88 CB LYS C 6 58.275 -13.302 10.141 1.00 0.00 C ATOM 89 CG LYS C 6 59.670 -13.370 9.515 1.00 0.00 C ATOM 90 CD LYS C 6 60.573 -14.259 10.373 1.00 0.00 C ATOM 91 CE LYS C 6 60.894 -15.545 9.609 1.00 0.00 C ATOM 92 NZ LYS C 6 60.586 -16.645 10.563 1.00 0.00 N ATOM 0 H LYS C 6 57.624 -11.199 11.115 1.00 0.00 H new ATOM 0 HA LYS C 6 57.911 -11.988 8.435 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.344 -12.960 11.174 1.00 0.00 H new ATOM 0 HB3 LYS C 6 57.826 -14.295 10.163 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.607 -13.768 8.502 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.095 -12.369 9.438 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.494 -13.730 10.620 1.00 0.00 H new ATOM 0 HD3 LYS C 6 60.079 -14.496 11.315 1.00 0.00 H new ATOM 0 HE2 LYS C 6 60.292 -15.627 8.704 1.00 0.00 H new ATOM 0 HE3 LYS C 6 61.939 -15.571 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 60.781 -17.561 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 61.178 -16.544 11.412 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 59.583 -16.599 10.834 1.00 0.00 H new ATOM 106 N ALA C 7 55.078 -12.980 9.630 1.00 0.00 N ATOM 107 CA ALA C 7 53.807 -13.645 9.224 1.00 0.00 C ATOM 108 C ALA C 7 53.197 -12.922 8.021 1.00 0.00 C ATOM 109 O ALA C 7 52.756 -13.539 7.072 1.00 0.00 O ATOM 110 CB ALA C 7 52.891 -13.528 10.442 1.00 0.00 C ATOM 0 H ALA C 7 55.046 -12.489 10.524 1.00 0.00 H new ATOM 0 HA ALA C 7 53.959 -14.683 8.929 1.00 0.00 H new ATOM 0 HB1 ALA C 7 51.931 -13.996 10.222 1.00 0.00 H new ATOM 0 HB2 ALA C 7 53.352 -14.029 11.293 1.00 0.00 H new ATOM 0 HB3 ALA C 7 52.735 -12.476 10.680 1.00 0.00 H new ATOM 116 N ALA C 8 53.173 -11.617 8.052 1.00 0.00 N ATOM 117 CA ALA C 8 52.596 -10.854 6.909 1.00 0.00 C ATOM 118 C ALA C 8 53.455 -11.057 5.659 1.00 0.00 C ATOM 119 O ALA C 8 52.951 -11.239 4.569 1.00 0.00 O ATOM 120 CB ALA C 8 52.629 -9.391 7.351 1.00 0.00 C ATOM 0 H ALA C 8 53.528 -11.047 8.819 1.00 0.00 H new ATOM 0 HA ALA C 8 51.586 -11.179 6.660 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.219 -8.763 6.560 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.033 -9.271 8.256 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.658 -9.095 7.553 1.00 0.00 H new ATOM 126 N VAL C 9 54.751 -11.030 5.811 1.00 0.00 N ATOM 127 CA VAL C 9 55.643 -11.225 4.633 1.00 0.00 C ATOM 128 C VAL C 9 55.292 -12.536 3.927 1.00 0.00 C ATOM 129 O VAL C 9 55.113 -12.579 2.726 1.00 0.00 O ATOM 130 CB VAL C 9 57.056 -11.293 5.211 1.00 0.00 C ATOM 131 CG1 VAL C 9 58.076 -11.307 4.072 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.300 -10.073 6.101 1.00 0.00 C ATOM 0 H VAL C 9 55.230 -10.881 6.699 1.00 0.00 H new ATOM 0 HA VAL C 9 55.543 -10.425 3.899 1.00 0.00 H new ATOM 0 HB VAL C 9 57.163 -12.202 5.802 1.00 0.00 H new ATOM 0 HG11 VAL C 9 59.083 -11.355 4.486 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.902 -12.177 3.438 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.971 -10.399 3.478 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.308 -10.120 6.514 1.00 0.00 H new ATOM 0 HG22 VAL C 9 57.192 -9.164 5.510 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.574 -10.065 6.914 1.00 0.00 H new ATOM 142 N GLU C 10 55.190 -13.604 4.669 1.00 0.00 N ATOM 143 CA GLU C 10 54.848 -14.914 4.046 1.00 0.00 C ATOM 144 C GLU C 10 53.396 -14.903 3.560 1.00 0.00 C ATOM 145 O GLU C 10 52.977 -15.756 2.804 1.00 0.00 O ATOM 146 CB GLU C 10 55.030 -15.942 5.162 1.00 0.00 C ATOM 147 CG GLU C 10 55.650 -17.217 4.584 1.00 0.00 C ATOM 148 CD GLU C 10 55.956 -18.196 5.719 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.736 -17.835 6.863 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.405 -19.292 5.424 1.00 0.00 O ATOM 0 H GLU C 10 55.329 -13.626 5.679 1.00 0.00 H new ATOM 0 HA GLU C 10 55.473 -15.136 3.181 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.671 -15.536 5.945 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.069 -16.169 5.623 1.00 0.00 H new ATOM 0 HG2 GLU C 10 54.966 -17.675 3.869 1.00 0.00 H new ATOM 0 HG3 GLU C 10 56.564 -16.976 4.041 1.00 0.00 H new ATOM 157 N GLN C 11 52.625 -13.942 3.992 1.00 0.00 N ATOM 158 CA GLN C 11 51.201 -13.877 3.559 1.00 0.00 C ATOM 159 C GLN C 11 51.014 -12.786 2.501 1.00 0.00 C ATOM 160 O GLN C 11 50.094 -11.996 2.567 1.00 0.00 O ATOM 161 CB GLN C 11 50.420 -13.532 4.825 1.00 0.00 C ATOM 162 CG GLN C 11 49.421 -14.650 5.127 1.00 0.00 C ATOM 163 CD GLN C 11 49.806 -15.342 6.436 1.00 0.00 C ATOM 164 OE1 GLN C 11 49.236 -15.066 7.472 1.00 0.00 O ATOM 165 NE2 GLN C 11 50.756 -16.238 6.432 1.00 0.00 N ATOM 0 H GLN C 11 52.920 -13.199 4.626 1.00 0.00 H new ATOM 0 HA GLN C 11 50.864 -14.812 3.111 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.104 -13.404 5.664 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.895 -12.586 4.695 1.00 0.00 H new ATOM 0 HG2 GLN C 11 48.414 -14.241 5.203 1.00 0.00 H new ATOM 0 HG3 GLN C 11 49.411 -15.373 4.311 1.00 0.00 H new ATOM 0 HE21 GLN C 11 51.235 -16.470 5.562 1.00 0.00 H new ATOM 0 HE22 GLN C 11 51.019 -16.706 7.299 1.00 0.00 H new ATOM 174 N LEU C 12 51.877 -12.738 1.523 1.00 0.00 N ATOM 175 CA LEU C 12 51.741 -11.698 0.463 1.00 0.00 C ATOM 176 C LEU C 12 51.246 -12.333 -0.839 1.00 0.00 C ATOM 177 O LEU C 12 52.025 -12.761 -1.668 1.00 0.00 O ATOM 178 CB LEU C 12 53.148 -11.127 0.278 1.00 0.00 C ATOM 179 CG LEU C 12 53.563 -10.365 1.538 1.00 0.00 C ATOM 180 CD1 LEU C 12 55.031 -9.952 1.422 1.00 0.00 C ATOM 181 CD2 LEU C 12 52.692 -9.114 1.686 1.00 0.00 C ATOM 0 H LEU C 12 52.668 -13.372 1.412 1.00 0.00 H new ATOM 0 HA LEU C 12 51.022 -10.925 0.735 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.855 -11.932 0.079 1.00 0.00 H new ATOM 0 HB3 LEU C 12 53.171 -10.462 -0.585 1.00 0.00 H new ATOM 0 HG LEU C 12 53.433 -11.005 2.411 1.00 0.00 H new ATOM 0 HD11 LEU C 12 55.328 -9.409 2.319 1.00 0.00 H new ATOM 0 HD12 LEU C 12 55.652 -10.841 1.314 1.00 0.00 H new ATOM 0 HD13 LEU C 12 55.161 -9.311 0.550 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.986 -8.570 2.583 1.00 0.00 H new ATOM 0 HD22 LEU C 12 52.824 -8.474 0.814 1.00 0.00 H new ATOM 0 HD23 LEU C 12 51.645 -9.407 1.766 1.00 0.00 H new ATOM 193 N THR C 13 49.957 -12.399 -1.026 1.00 0.00 N ATOM 194 CA THR C 13 49.413 -13.009 -2.273 1.00 0.00 C ATOM 195 C THR C 13 50.111 -12.417 -3.502 1.00 0.00 C ATOM 196 O THR C 13 50.678 -11.343 -3.450 1.00 0.00 O ATOM 197 CB THR C 13 47.926 -12.650 -2.273 1.00 0.00 C ATOM 198 OG1 THR C 13 47.746 -11.392 -1.637 1.00 0.00 O ATOM 199 CG2 THR C 13 47.140 -13.724 -1.518 1.00 0.00 C ATOM 0 H THR C 13 49.256 -12.057 -0.369 1.00 0.00 H new ATOM 0 HA THR C 13 49.572 -14.087 -2.309 1.00 0.00 H new ATOM 0 HB THR C 13 47.564 -12.594 -3.300 1.00 0.00 H new ATOM 0 HG1 THR C 13 47.413 -11.531 -0.726 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.081 -13.467 -1.518 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.280 -14.688 -2.007 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.499 -13.782 -0.490 1.00 0.00 H new ATOM 207 N GLU C 14 50.076 -13.112 -4.606 1.00 0.00 N ATOM 208 CA GLU C 14 50.738 -12.594 -5.837 1.00 0.00 C ATOM 209 C GLU C 14 50.299 -11.152 -6.111 1.00 0.00 C ATOM 210 O GLU C 14 51.100 -10.303 -6.446 1.00 0.00 O ATOM 211 CB GLU C 14 50.266 -13.519 -6.960 1.00 0.00 C ATOM 212 CG GLU C 14 48.737 -13.592 -6.958 1.00 0.00 C ATOM 213 CD GLU C 14 48.288 -14.957 -7.485 1.00 0.00 C ATOM 214 OE1 GLU C 14 48.661 -15.292 -8.597 1.00 0.00 O ATOM 215 OE2 GLU C 14 47.578 -15.642 -6.768 1.00 0.00 O ATOM 0 H GLU C 14 49.617 -14.017 -4.709 1.00 0.00 H new ATOM 0 HA GLU C 14 51.824 -12.582 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.621 -13.150 -7.922 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.688 -14.515 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU C 14 48.357 -13.438 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU C 14 48.324 -12.797 -7.579 1.00 0.00 H new ATOM 222 N GLU C 15 49.032 -10.873 -5.973 1.00 0.00 N ATOM 223 CA GLU C 15 48.542 -9.487 -6.227 1.00 0.00 C ATOM 224 C GLU C 15 49.154 -8.511 -5.217 1.00 0.00 C ATOM 225 O GLU C 15 49.100 -7.309 -5.390 1.00 0.00 O ATOM 226 CB GLU C 15 47.027 -9.566 -6.046 1.00 0.00 C ATOM 227 CG GLU C 15 46.701 -9.769 -4.565 1.00 0.00 C ATOM 228 CD GLU C 15 46.616 -8.409 -3.870 1.00 0.00 C ATOM 229 OE1 GLU C 15 46.358 -7.431 -4.552 1.00 0.00 O ATOM 230 OE2 GLU C 15 46.812 -8.368 -2.666 1.00 0.00 O ATOM 0 H GLU C 15 48.315 -11.543 -5.696 1.00 0.00 H new ATOM 0 HA GLU C 15 48.818 -9.128 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.558 -8.652 -6.411 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.622 -10.389 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU C 15 45.757 -10.303 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU C 15 47.469 -10.383 -4.094 1.00 0.00 H new ATOM 237 N GLN C 16 49.732 -9.016 -4.162 1.00 0.00 N ATOM 238 CA GLN C 16 50.347 -8.113 -3.146 1.00 0.00 C ATOM 239 C GLN C 16 51.784 -7.761 -3.542 1.00 0.00 C ATOM 240 O GLN C 16 52.121 -6.611 -3.741 1.00 0.00 O ATOM 241 CB GLN C 16 50.335 -8.915 -1.844 1.00 0.00 C ATOM 242 CG GLN C 16 50.881 -8.048 -0.708 1.00 0.00 C ATOM 243 CD GLN C 16 50.109 -6.728 -0.657 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.925 -6.713 -0.392 1.00 0.00 O ATOM 245 NE2 GLN C 16 50.737 -5.610 -0.903 1.00 0.00 N ATOM 0 H GLN C 16 49.805 -10.013 -3.959 1.00 0.00 H new ATOM 0 HA GLN C 16 49.805 -7.172 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN C 16 49.320 -9.239 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.940 -9.815 -1.953 1.00 0.00 H new ATOM 0 HG2 GLN C 16 50.787 -8.574 0.242 1.00 0.00 H new ATOM 0 HG3 GLN C 16 51.943 -7.855 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN C 16 51.732 -5.622 -1.126 1.00 0.00 H new ATOM 0 HE22 GLN C 16 50.232 -4.724 -0.872 1.00 0.00 H new ATOM 254 N LYS C 17 52.634 -8.747 -3.650 1.00 0.00 N ATOM 255 CA LYS C 17 54.052 -8.476 -4.025 1.00 0.00 C ATOM 256 C LYS C 17 54.125 -7.752 -5.373 1.00 0.00 C ATOM 257 O LYS C 17 54.934 -6.866 -5.568 1.00 0.00 O ATOM 258 CB LYS C 17 54.707 -9.855 -4.123 1.00 0.00 C ATOM 259 CG LYS C 17 55.197 -10.290 -2.740 1.00 0.00 C ATOM 260 CD LYS C 17 55.099 -11.812 -2.617 1.00 0.00 C ATOM 261 CE LYS C 17 56.451 -12.380 -2.181 1.00 0.00 C ATOM 262 NZ LYS C 17 56.883 -13.246 -3.313 1.00 0.00 N ATOM 0 H LYS C 17 52.407 -9.729 -3.495 1.00 0.00 H new ATOM 0 HA LYS C 17 54.551 -7.835 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.993 -10.581 -4.512 1.00 0.00 H new ATOM 0 HB3 LYS C 17 55.542 -9.823 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS C 17 56.228 -9.968 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS C 17 54.598 -9.813 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.330 -12.080 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.802 -12.246 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS C 17 57.172 -11.585 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS C 17 56.360 -12.952 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 57.805 -13.674 -3.091 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 56.180 -13.997 -3.463 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 56.967 -12.673 -4.177 1.00 0.00 H new ATOM 276 N ASN C 18 53.291 -8.120 -6.307 1.00 0.00 N ATOM 277 CA ASN C 18 53.325 -7.447 -7.637 1.00 0.00 C ATOM 278 C ASN C 18 52.939 -5.972 -7.494 1.00 0.00 C ATOM 279 O ASN C 18 53.165 -5.172 -8.380 1.00 0.00 O ATOM 280 CB ASN C 18 52.304 -8.200 -8.497 1.00 0.00 C ATOM 281 CG ASN C 18 50.885 -7.801 -8.089 1.00 0.00 C ATOM 282 OD1 ASN C 18 50.686 -7.185 -7.064 1.00 0.00 O ATOM 283 ND2 ASN C 18 49.882 -8.129 -8.856 1.00 0.00 N ATOM 0 H ASN C 18 52.590 -8.854 -6.208 1.00 0.00 H new ATOM 0 HA ASN C 18 54.318 -7.469 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN C 18 52.466 -7.974 -9.551 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.437 -9.275 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN C 18 48.932 -7.867 -8.593 1.00 0.00 H new ATOM 0 HD22 ASN C 18 50.048 -8.647 -9.719 1.00 0.00 H new ATOM 290 N GLU C 19 52.365 -5.603 -6.380 1.00 0.00 N ATOM 291 CA GLU C 19 51.973 -4.179 -6.177 1.00 0.00 C ATOM 292 C GLU C 19 53.132 -3.405 -5.543 1.00 0.00 C ATOM 293 O GLU C 19 53.360 -2.250 -5.843 1.00 0.00 O ATOM 294 CB GLU C 19 50.775 -4.228 -5.230 1.00 0.00 C ATOM 295 CG GLU C 19 50.469 -2.819 -4.720 1.00 0.00 C ATOM 296 CD GLU C 19 48.985 -2.513 -4.923 1.00 0.00 C ATOM 297 OE1 GLU C 19 48.223 -3.452 -5.084 1.00 0.00 O ATOM 298 OE2 GLU C 19 48.635 -1.344 -4.915 1.00 0.00 O ATOM 0 H GLU C 19 52.151 -6.227 -5.602 1.00 0.00 H new ATOM 0 HA GLU C 19 51.727 -3.677 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU C 19 49.906 -4.636 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU C 19 50.988 -4.891 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU C 19 50.726 -2.739 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU C 19 51.078 -2.088 -5.252 1.00 0.00 H new ATOM 305 N PHE C 20 53.864 -4.037 -4.668 1.00 0.00 N ATOM 306 CA PHE C 20 55.010 -3.344 -4.013 1.00 0.00 C ATOM 307 C PHE C 20 56.212 -3.301 -4.961 1.00 0.00 C ATOM 308 O PHE C 20 56.974 -2.355 -4.970 1.00 0.00 O ATOM 309 CB PHE C 20 55.330 -4.190 -2.778 1.00 0.00 C ATOM 310 CG PHE C 20 54.392 -3.828 -1.646 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.202 -3.135 -1.907 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.717 -4.188 -0.333 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.340 -2.803 -0.856 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.854 -3.856 0.719 1.00 0.00 C ATOM 315 CZ PHE C 20 52.665 -3.164 0.457 1.00 0.00 C ATOM 0 H PHE C 20 53.718 -5.004 -4.378 1.00 0.00 H new ATOM 0 HA PHE C 20 54.775 -2.312 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.233 -5.249 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.363 -4.026 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE C 20 52.950 -2.857 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE C 20 55.634 -4.722 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE C 20 51.424 -2.268 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE C 20 54.105 -4.134 1.732 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.999 -2.909 1.268 1.00 0.00 H new ATOM 325 N LYS C 21 56.385 -4.319 -5.761 1.00 0.00 N ATOM 326 CA LYS C 21 57.537 -4.336 -6.709 1.00 0.00 C ATOM 327 C LYS C 21 57.597 -3.021 -7.491 1.00 0.00 C ATOM 328 O LYS C 21 58.659 -2.507 -7.779 1.00 0.00 O ATOM 329 CB LYS C 21 57.259 -5.508 -7.651 1.00 0.00 C ATOM 330 CG LYS C 21 58.258 -6.635 -7.373 1.00 0.00 C ATOM 331 CD LYS C 21 59.403 -6.564 -8.386 1.00 0.00 C ATOM 332 CE LYS C 21 60.103 -7.922 -8.465 1.00 0.00 C ATOM 333 NZ LYS C 21 61.418 -7.641 -9.107 1.00 0.00 N ATOM 0 H LYS C 21 55.779 -5.139 -5.799 1.00 0.00 H new ATOM 0 HA LYS C 21 58.492 -4.444 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.240 -5.868 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.341 -5.182 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.649 -6.547 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.759 -7.602 -7.439 1.00 0.00 H new ATOM 0 HD2 LYS C 21 59.018 -6.285 -9.367 1.00 0.00 H new ATOM 0 HD3 LYS C 21 60.115 -5.793 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.233 -8.358 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.521 -8.633 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 61.957 -8.526 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 61.263 -7.233 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 61.953 -6.967 -8.523 1.00 0.00 H new ATOM 347 N ALA C 22 56.464 -2.471 -7.833 1.00 0.00 N ATOM 348 CA ALA C 22 56.459 -1.188 -8.594 1.00 0.00 C ATOM 349 C ALA C 22 57.220 -0.111 -7.817 1.00 0.00 C ATOM 350 O ALA C 22 58.191 0.443 -8.292 1.00 0.00 O ATOM 351 CB ALA C 22 54.984 -0.813 -8.727 1.00 0.00 C ATOM 0 H ALA C 22 55.543 -2.853 -7.619 1.00 0.00 H new ATOM 0 HA ALA C 22 56.944 -1.281 -9.566 1.00 0.00 H new ATOM 0 HB1 ALA C 22 54.895 0.124 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.455 -1.601 -9.263 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.548 -0.694 -7.735 1.00 0.00 H new ATOM 357 N ALA C 23 56.786 0.189 -6.623 1.00 0.00 N ATOM 358 CA ALA C 23 57.486 1.228 -5.816 1.00 0.00 C ATOM 359 C ALA C 23 58.931 0.801 -5.548 1.00 0.00 C ATOM 360 O ALA C 23 59.866 1.529 -5.822 1.00 0.00 O ATOM 361 CB ALA C 23 56.699 1.310 -4.508 1.00 0.00 C ATOM 0 H ALA C 23 55.978 -0.240 -6.172 1.00 0.00 H new ATOM 0 HA ALA C 23 57.528 2.190 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.153 2.056 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA C 23 55.668 1.593 -4.721 1.00 0.00 H new ATOM 0 HB3 ALA C 23 56.714 0.339 -4.013 1.00 0.00 H new ATOM 367 N PHE C 24 59.122 -0.374 -5.015 1.00 0.00 N ATOM 368 CA PHE C 24 60.506 -0.848 -4.729 1.00 0.00 C ATOM 369 C PHE C 24 61.421 -0.561 -5.922 1.00 0.00 C ATOM 370 O PHE C 24 62.569 -0.196 -5.763 1.00 0.00 O ATOM 371 CB PHE C 24 60.372 -2.355 -4.508 1.00 0.00 C ATOM 372 CG PHE C 24 61.717 -2.929 -4.131 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.343 -2.527 -2.946 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.337 -3.864 -4.968 1.00 0.00 C ATOM 375 CE1 PHE C 24 63.591 -3.059 -2.597 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.584 -4.396 -4.619 1.00 0.00 C ATOM 377 CZ PHE C 24 64.211 -3.994 -3.434 1.00 0.00 C ATOM 0 H PHE C 24 58.379 -1.027 -4.765 1.00 0.00 H new ATOM 0 HA PHE C 24 60.943 -0.347 -3.865 1.00 0.00 H new ATOM 0 HB2 PHE C 24 59.645 -2.555 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.001 -2.835 -5.414 1.00 0.00 H new ATOM 0 HD1 PHE C 24 61.864 -1.806 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.854 -4.175 -5.882 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.074 -2.748 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.063 -5.117 -5.265 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.173 -4.405 -3.166 1.00 0.00 H new ATOM 387 N ASP C 25 60.923 -0.722 -7.118 1.00 0.00 N ATOM 388 CA ASP C 25 61.767 -0.457 -8.319 1.00 0.00 C ATOM 389 C ASP C 25 62.000 1.048 -8.478 1.00 0.00 C ATOM 390 O ASP C 25 63.113 1.496 -8.669 1.00 0.00 O ATOM 391 CB ASP C 25 60.960 -1.001 -9.499 1.00 0.00 C ATOM 392 CG ASP C 25 61.857 -1.884 -10.369 1.00 0.00 C ATOM 393 OD1 ASP C 25 63.047 -1.933 -10.101 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.339 -2.495 -11.289 1.00 0.00 O ATOM 0 H ASP C 25 59.969 -1.025 -7.316 1.00 0.00 H new ATOM 0 HA ASP C 25 62.748 -0.926 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.108 -1.576 -9.136 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.560 -0.177 -10.090 1.00 0.00 H new ATOM 399 N ILE C 26 60.959 1.830 -8.399 1.00 0.00 N ATOM 400 CA ILE C 26 61.119 3.304 -8.544 1.00 0.00 C ATOM 401 C ILE C 26 62.283 3.802 -7.686 1.00 0.00 C ATOM 402 O ILE C 26 63.095 4.592 -8.124 1.00 0.00 O ATOM 403 CB ILE C 26 59.801 3.891 -8.048 1.00 0.00 C ATOM 404 CG1 ILE C 26 58.637 3.173 -8.768 1.00 0.00 C ATOM 405 CG2 ILE C 26 59.793 5.400 -8.326 1.00 0.00 C ATOM 406 CD1 ILE C 26 57.632 4.173 -9.343 1.00 0.00 C ATOM 0 H ILE C 26 60.003 1.511 -8.240 1.00 0.00 H new ATOM 0 HA ILE C 26 61.339 3.595 -9.571 1.00 0.00 H new ATOM 0 HB ILE C 26 59.684 3.743 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.033 2.551 -9.571 1.00 0.00 H new ATOM 0 HG13 ILE C 26 58.130 2.507 -8.069 1.00 0.00 H new ATOM 0 HG21 ILE C 26 58.855 5.830 -7.975 1.00 0.00 H new ATOM 0 HG22 ILE C 26 60.626 5.871 -7.803 1.00 0.00 H new ATOM 0 HG23 ILE C 26 59.893 5.573 -9.398 1.00 0.00 H new ATOM 0 HD11 ILE C 26 56.827 3.634 -9.842 1.00 0.00 H new ATOM 0 HD12 ILE C 26 57.218 4.777 -8.536 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.134 4.821 -10.061 1.00 0.00 H new ATOM 418 N PHE C 27 62.373 3.349 -6.466 1.00 0.00 N ATOM 419 CA PHE C 27 63.485 3.803 -5.587 1.00 0.00 C ATOM 420 C PHE C 27 64.833 3.527 -6.258 1.00 0.00 C ATOM 421 O PHE C 27 65.668 4.401 -6.379 1.00 0.00 O ATOM 422 CB PHE C 27 63.346 2.974 -4.309 1.00 0.00 C ATOM 423 CG PHE C 27 62.035 3.303 -3.633 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.590 4.628 -3.576 1.00 0.00 C ATOM 425 CD2 PHE C 27 61.267 2.281 -3.062 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.377 4.934 -2.949 1.00 0.00 C ATOM 427 CE2 PHE C 27 60.054 2.585 -2.434 1.00 0.00 C ATOM 428 CZ PHE C 27 59.609 3.911 -2.377 1.00 0.00 C ATOM 0 H PHE C 27 61.725 2.685 -6.041 1.00 0.00 H new ATOM 0 HA PHE C 27 63.441 4.873 -5.385 1.00 0.00 H new ATOM 0 HB2 PHE C 27 63.388 1.911 -4.546 1.00 0.00 H new ATOM 0 HB3 PHE C 27 64.177 3.183 -3.635 1.00 0.00 H new ATOM 0 HD1 PHE C 27 62.183 5.416 -4.016 1.00 0.00 H new ATOM 0 HD2 PHE C 27 61.611 1.258 -3.106 1.00 0.00 H new ATOM 0 HE1 PHE C 27 60.033 5.957 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE C 27 59.461 1.797 -1.993 1.00 0.00 H new ATOM 0 HZ PHE C 27 58.673 4.146 -1.892 1.00 0.00 H new ATOM 438 N VAL C 28 65.051 2.317 -6.694 1.00 0.00 N ATOM 439 CA VAL C 28 66.346 1.980 -7.354 1.00 0.00 C ATOM 440 C VAL C 28 66.235 2.146 -8.872 1.00 0.00 C ATOM 441 O VAL C 28 66.851 1.421 -9.629 1.00 0.00 O ATOM 442 CB VAL C 28 66.597 0.516 -6.997 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.480 0.333 -5.483 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.555 -0.362 -7.698 1.00 0.00 C ATOM 0 H VAL C 28 64.388 1.545 -6.622 1.00 0.00 H new ATOM 0 HA VAL C 28 67.156 2.631 -7.025 1.00 0.00 H new ATOM 0 HB VAL C 28 67.597 0.227 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.659 -0.711 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL C 28 67.218 0.960 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.480 0.620 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.731 -1.408 -7.445 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.556 -0.073 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.635 -0.231 -8.777 1.00 0.00 H new ATOM 454 N LEU C 29 65.460 3.092 -9.326 1.00 0.00 N ATOM 455 CA LEU C 29 65.320 3.292 -10.796 1.00 0.00 C ATOM 456 C LEU C 29 66.667 3.695 -11.404 1.00 0.00 C ATOM 457 O LEU C 29 66.832 3.722 -12.607 1.00 0.00 O ATOM 458 CB LEU C 29 64.301 4.421 -10.950 1.00 0.00 C ATOM 459 CG LEU C 29 63.597 4.293 -12.301 1.00 0.00 C ATOM 460 CD1 LEU C 29 62.172 4.839 -12.188 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.367 5.091 -13.355 1.00 0.00 C ATOM 0 H LEU C 29 64.919 3.733 -8.745 1.00 0.00 H new ATOM 0 HA LEU C 29 64.999 2.384 -11.307 1.00 0.00 H new ATOM 0 HB2 LEU C 29 63.571 4.378 -10.142 1.00 0.00 H new ATOM 0 HB3 LEU C 29 64.800 5.388 -10.878 1.00 0.00 H new ATOM 0 HG LEU C 29 63.562 3.244 -12.594 1.00 0.00 H new ATOM 0 HD11 LEU C 29 61.670 4.748 -13.151 1.00 0.00 H new ATOM 0 HD12 LEU C 29 61.623 4.270 -11.437 1.00 0.00 H new ATOM 0 HD13 LEU C 29 62.207 5.888 -11.895 1.00 0.00 H new ATOM 0 HD21 LEU C 29 63.865 5.000 -14.318 1.00 0.00 H new ATOM 0 HD22 LEU C 29 64.403 6.140 -13.062 1.00 0.00 H new ATOM 0 HD23 LEU C 29 65.382 4.702 -13.436 1.00 0.00 H new ATOM 473 N GLY C 30 67.631 4.010 -10.581 1.00 0.00 N ATOM 474 CA GLY C 30 68.963 4.411 -11.114 1.00 0.00 C ATOM 475 C GLY C 30 70.063 3.649 -10.370 1.00 0.00 C ATOM 476 O GLY C 30 71.153 4.147 -10.174 1.00 0.00 O ATOM 0 H GLY C 30 67.553 4.007 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY C 30 69.018 4.199 -12.182 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.106 5.485 -10.995 1.00 0.00 H new ATOM 480 N ALA C 31 69.786 2.442 -9.956 1.00 0.00 N ATOM 481 CA ALA C 31 70.815 1.647 -9.226 1.00 0.00 C ATOM 482 C ALA C 31 71.332 0.511 -10.112 1.00 0.00 C ATOM 483 O ALA C 31 70.678 0.092 -11.046 1.00 0.00 O ATOM 484 CB ALA C 31 70.088 1.085 -8.003 1.00 0.00 C ATOM 0 H ALA C 31 68.891 1.972 -10.092 1.00 0.00 H new ATOM 0 HA ALA C 31 71.679 2.249 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.780 0.485 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.709 1.907 -7.395 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.255 0.462 -8.329 1.00 0.00 H new ATOM 490 N GLU C 32 72.502 0.007 -9.827 1.00 0.00 N ATOM 491 CA GLU C 32 73.057 -1.103 -10.655 1.00 0.00 C ATOM 492 C GLU C 32 72.934 -2.433 -9.907 1.00 0.00 C ATOM 493 O GLU C 32 72.709 -3.470 -10.498 1.00 0.00 O ATOM 494 CB GLU C 32 74.527 -0.742 -10.870 1.00 0.00 C ATOM 495 CG GLU C 32 74.625 0.433 -11.845 1.00 0.00 C ATOM 496 CD GLU C 32 74.362 1.741 -11.097 1.00 0.00 C ATOM 497 OE1 GLU C 32 75.278 2.228 -10.456 1.00 0.00 O ATOM 498 OE2 GLU C 32 73.248 2.232 -11.177 1.00 0.00 O ATOM 0 H GLU C 32 73.097 0.315 -9.058 1.00 0.00 H new ATOM 0 HA GLU C 32 72.525 -1.219 -11.599 1.00 0.00 H new ATOM 0 HB2 GLU C 32 74.991 -0.480 -9.919 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.070 -1.601 -11.263 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.613 0.457 -12.304 1.00 0.00 H new ATOM 0 HG3 GLU C 32 73.902 0.311 -12.651 1.00 0.00 H new ATOM 505 N ASP C 33 73.079 -2.411 -8.610 1.00 0.00 N ATOM 506 CA ASP C 33 72.966 -3.675 -7.826 1.00 0.00 C ATOM 507 C ASP C 33 71.495 -4.065 -7.664 1.00 0.00 C ATOM 508 O ASP C 33 71.140 -5.225 -7.716 1.00 0.00 O ATOM 509 CB ASP C 33 73.589 -3.357 -6.467 1.00 0.00 C ATOM 510 CG ASP C 33 75.104 -3.553 -6.538 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.543 -4.344 -7.358 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.801 -2.910 -5.771 1.00 0.00 O ATOM 0 H ASP C 33 73.271 -1.574 -8.060 1.00 0.00 H new ATOM 0 HA ASP C 33 73.465 -4.511 -8.316 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.358 -2.331 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.164 -4.005 -5.700 1.00 0.00 H new ATOM 517 N GLY C 34 70.637 -3.102 -7.466 1.00 0.00 N ATOM 518 CA GLY C 34 69.189 -3.415 -7.299 1.00 0.00 C ATOM 519 C GLY C 34 68.801 -3.251 -5.829 1.00 0.00 C ATOM 520 O GLY C 34 67.770 -3.723 -5.391 1.00 0.00 O ATOM 0 H GLY C 34 70.876 -2.112 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.588 -2.752 -7.921 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.985 -4.434 -7.629 1.00 0.00 H new ATOM 524 N CYS C 35 69.620 -2.585 -5.062 1.00 0.00 N ATOM 525 CA CYS C 35 69.300 -2.390 -3.618 1.00 0.00 C ATOM 526 C CYS C 35 69.153 -0.897 -3.310 1.00 0.00 C ATOM 527 O CYS C 35 69.764 -0.060 -3.945 1.00 0.00 O ATOM 528 CB CYS C 35 70.492 -2.981 -2.866 1.00 0.00 C ATOM 529 SG CYS C 35 70.413 -4.788 -2.935 1.00 0.00 S ATOM 0 H CYS C 35 70.497 -2.167 -5.372 1.00 0.00 H new ATOM 0 HA CYS C 35 68.363 -2.867 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.425 -2.630 -3.308 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.484 -2.645 -1.829 1.00 0.00 H new ATOM 0 HG CYS C 35 71.428 -5.291 -2.297 1.00 0.00 H new ATOM 535 N ILE C 36 68.346 -0.554 -2.342 1.00 0.00 N ATOM 536 CA ILE C 36 68.163 0.887 -2.004 1.00 0.00 C ATOM 537 C ILE C 36 69.264 1.359 -1.051 1.00 0.00 C ATOM 538 O ILE C 36 69.892 0.574 -0.368 1.00 0.00 O ATOM 539 CB ILE C 36 66.797 0.971 -1.326 1.00 0.00 C ATOM 540 CG1 ILE C 36 65.701 0.703 -2.360 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.608 2.370 -0.733 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.329 0.781 -1.687 1.00 0.00 C ATOM 0 H ILE C 36 67.807 -1.207 -1.773 1.00 0.00 H new ATOM 0 HA ILE C 36 68.218 1.522 -2.888 1.00 0.00 H new ATOM 0 HB ILE C 36 66.737 0.228 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.763 1.432 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE C 36 65.842 -0.281 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.633 2.431 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.391 2.563 0.001 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.665 3.113 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE C 36 63.550 0.590 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE C 36 64.269 0.035 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.189 1.774 -1.261 1.00 0.00 H new ATOM 554 N SER C 37 69.501 2.639 -1.008 1.00 0.00 N ATOM 555 CA SER C 37 70.557 3.182 -0.108 1.00 0.00 C ATOM 556 C SER C 37 70.286 4.660 0.160 1.00 0.00 C ATOM 557 O SER C 37 71.188 5.467 0.225 1.00 0.00 O ATOM 558 CB SER C 37 71.847 3.021 -0.888 1.00 0.00 C ATOM 559 OG SER C 37 72.503 1.827 -0.481 1.00 0.00 O ATOM 0 H SER C 37 69.005 3.338 -1.561 1.00 0.00 H new ATOM 0 HA SER C 37 70.593 2.674 0.855 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.636 2.986 -1.957 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.496 3.880 -0.719 1.00 0.00 H new ATOM 0 HG SER C 37 72.578 1.812 0.496 1.00 0.00 H new ATOM 565 N THR C 38 69.040 5.005 0.292 1.00 0.00 N ATOM 566 CA THR C 38 68.644 6.429 0.536 1.00 0.00 C ATOM 567 C THR C 38 68.832 7.238 -0.749 1.00 0.00 C ATOM 568 O THR C 38 67.915 7.871 -1.232 1.00 0.00 O ATOM 569 CB THR C 38 69.548 6.967 1.660 1.00 0.00 C ATOM 570 OG1 THR C 38 70.735 7.512 1.101 1.00 0.00 O ATOM 571 CG2 THR C 38 69.900 5.845 2.644 1.00 0.00 C ATOM 0 H THR C 38 68.258 4.352 0.241 1.00 0.00 H new ATOM 0 HA THR C 38 67.597 6.507 0.829 1.00 0.00 H new ATOM 0 HB THR C 38 69.013 7.748 2.200 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.367 6.789 0.906 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.540 6.240 3.433 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.986 5.446 3.084 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.425 5.049 2.116 1.00 0.00 H new ATOM 579 N LYS C 39 70.006 7.209 -1.319 1.00 0.00 N ATOM 580 CA LYS C 39 70.226 7.965 -2.584 1.00 0.00 C ATOM 581 C LYS C 39 69.190 7.526 -3.619 1.00 0.00 C ATOM 582 O LYS C 39 68.721 8.310 -4.421 1.00 0.00 O ATOM 583 CB LYS C 39 71.636 7.587 -3.038 1.00 0.00 C ATOM 584 CG LYS C 39 72.660 8.451 -2.300 1.00 0.00 C ATOM 585 CD LYS C 39 73.927 8.577 -3.148 1.00 0.00 C ATOM 586 CE LYS C 39 74.740 7.285 -3.044 1.00 0.00 C ATOM 587 NZ LYS C 39 76.040 7.697 -2.446 1.00 0.00 N ATOM 0 H LYS C 39 70.816 6.699 -0.967 1.00 0.00 H new ATOM 0 HA LYS C 39 70.126 9.043 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.823 6.532 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.733 7.729 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.243 9.438 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.899 8.006 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.664 8.771 -4.188 1.00 0.00 H new ATOM 0 HD3 LYS C 39 74.523 9.423 -2.807 1.00 0.00 H new ATOM 0 HE2 LYS C 39 74.234 6.549 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.883 6.828 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 76.654 6.864 -2.343 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 76.502 8.393 -3.065 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 75.873 8.122 -1.512 1.00 0.00 H new ATOM 601 N GLU C 40 68.823 6.274 -3.595 1.00 0.00 N ATOM 602 CA GLU C 40 67.807 5.767 -4.560 1.00 0.00 C ATOM 603 C GLU C 40 66.406 5.986 -3.987 1.00 0.00 C ATOM 604 O GLU C 40 65.468 6.285 -4.701 1.00 0.00 O ATOM 605 CB GLU C 40 68.104 4.274 -4.693 1.00 0.00 C ATOM 606 CG GLU C 40 69.418 4.077 -5.451 1.00 0.00 C ATOM 607 CD GLU C 40 69.345 4.800 -6.797 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.275 4.816 -7.382 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.361 5.326 -7.220 1.00 0.00 O ATOM 0 H GLU C 40 69.185 5.577 -2.945 1.00 0.00 H new ATOM 0 HA GLU C 40 67.848 6.275 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU C 40 68.170 3.817 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.290 3.777 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU C 40 70.250 4.464 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.604 3.014 -5.607 1.00 0.00 H new ATOM 616 N LEU C 41 66.264 5.843 -2.698 1.00 0.00 N ATOM 617 CA LEU C 41 64.931 6.044 -2.061 1.00 0.00 C ATOM 618 C LEU C 41 64.610 7.541 -1.989 1.00 0.00 C ATOM 619 O LEU C 41 63.570 7.984 -2.432 1.00 0.00 O ATOM 620 CB LEU C 41 65.083 5.448 -0.655 1.00 0.00 C ATOM 621 CG LEU C 41 63.708 5.228 -0.015 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.918 6.534 -0.032 1.00 0.00 C ATOM 623 CD2 LEU C 41 62.940 4.152 -0.788 1.00 0.00 C ATOM 0 H LEU C 41 67.017 5.595 -2.056 1.00 0.00 H new ATOM 0 HA LEU C 41 64.119 5.574 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.621 4.501 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.678 6.116 -0.032 1.00 0.00 H new ATOM 0 HG LEU C 41 63.843 4.901 1.016 1.00 0.00 H new ATOM 0 HD11 LEU C 41 61.941 6.374 0.424 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.460 7.295 0.530 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.788 6.867 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU C 41 61.964 4.001 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU C 41 62.808 4.471 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU C 41 63.501 3.218 -0.765 1.00 0.00 H new ATOM 635 N GLY C 42 65.496 8.321 -1.431 1.00 0.00 N ATOM 636 CA GLY C 42 65.239 9.787 -1.330 1.00 0.00 C ATOM 637 C GLY C 42 64.678 10.306 -2.654 1.00 0.00 C ATOM 638 O GLY C 42 63.861 11.204 -2.681 1.00 0.00 O ATOM 0 H GLY C 42 66.385 8.008 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.535 9.987 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.163 10.312 -1.085 1.00 0.00 H new ATOM 642 N LYS C 43 65.107 9.751 -3.754 1.00 0.00 N ATOM 643 CA LYS C 43 64.592 10.222 -5.071 1.00 0.00 C ATOM 644 C LYS C 43 63.073 10.404 -5.008 1.00 0.00 C ATOM 645 O LYS C 43 62.535 11.380 -5.492 1.00 0.00 O ATOM 646 CB LYS C 43 64.964 9.119 -6.062 1.00 0.00 C ATOM 647 CG LYS C 43 66.280 9.481 -6.754 1.00 0.00 C ATOM 648 CD LYS C 43 66.027 10.564 -7.801 1.00 0.00 C ATOM 649 CE LYS C 43 66.204 9.972 -9.202 1.00 0.00 C ATOM 650 NZ LYS C 43 65.073 9.017 -9.360 1.00 0.00 N ATOM 0 H LYS C 43 65.790 8.994 -3.798 1.00 0.00 H new ATOM 0 HA LYS C 43 65.014 11.184 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.064 8.166 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.173 8.997 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS C 43 67.004 9.833 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS C 43 66.709 8.597 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS C 43 65.020 10.965 -7.689 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.718 11.394 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS C 43 66.175 10.749 -9.966 1.00 0.00 H new ATOM 0 HE3 LYS C 43 67.165 9.466 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 64.938 8.802 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 65.285 8.139 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 64.204 9.442 -8.977 1.00 0.00 H new ATOM 664 N VAL C 44 62.376 9.477 -4.407 1.00 0.00 N ATOM 665 CA VAL C 44 60.895 9.610 -4.308 1.00 0.00 C ATOM 666 C VAL C 44 60.541 10.777 -3.385 1.00 0.00 C ATOM 667 O VAL C 44 59.662 11.563 -3.673 1.00 0.00 O ATOM 668 CB VAL C 44 60.413 8.278 -3.720 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.050 8.463 -3.039 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.279 7.248 -4.844 1.00 0.00 C ATOM 0 H VAL C 44 62.767 8.636 -3.982 1.00 0.00 H new ATOM 0 HA VAL C 44 60.426 9.814 -5.271 1.00 0.00 H new ATOM 0 HB VAL C 44 61.137 7.932 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.718 7.511 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL C 44 59.140 9.195 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.322 8.814 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL C 44 59.937 6.300 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL C 44 59.558 7.604 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.247 7.106 -5.324 1.00 0.00 H new ATOM 680 N MET C 45 61.224 10.896 -2.279 1.00 0.00 N ATOM 681 CA MET C 45 60.929 12.013 -1.335 1.00 0.00 C ATOM 682 C MET C 45 60.678 13.305 -2.116 1.00 0.00 C ATOM 683 O MET C 45 59.843 14.110 -1.753 1.00 0.00 O ATOM 684 CB MET C 45 62.178 12.139 -0.462 1.00 0.00 C ATOM 685 CG MET C 45 62.402 10.835 0.310 1.00 0.00 C ATOM 686 SD MET C 45 60.887 10.382 1.193 1.00 0.00 S ATOM 687 CE MET C 45 60.286 9.150 0.009 1.00 0.00 C ATOM 0 H MET C 45 61.974 10.268 -1.988 1.00 0.00 H new ATOM 0 HA MET C 45 60.038 11.827 -0.736 1.00 0.00 H new ATOM 0 HB2 MET C 45 63.047 12.359 -1.083 1.00 0.00 H new ATOM 0 HB3 MET C 45 62.065 12.970 0.234 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.686 10.038 -0.377 1.00 0.00 H new ATOM 0 HG3 MET C 45 63.224 10.955 1.016 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.542 8.516 0.490 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.835 9.656 -0.845 1.00 0.00 H new ATOM 0 HE3 MET C 45 61.120 8.536 -0.332 1.00 0.00 H new ATOM 697 N ARG C 46 61.386 13.504 -3.194 1.00 0.00 N ATOM 698 CA ARG C 46 61.176 14.737 -4.005 1.00 0.00 C ATOM 699 C ARG C 46 60.031 14.517 -4.997 1.00 0.00 C ATOM 700 O ARG C 46 59.251 15.409 -5.270 1.00 0.00 O ATOM 701 CB ARG C 46 62.493 14.956 -4.749 1.00 0.00 C ATOM 702 CG ARG C 46 63.641 15.052 -3.742 1.00 0.00 C ATOM 703 CD ARG C 46 64.599 16.167 -4.165 1.00 0.00 C ATOM 704 NE ARG C 46 64.797 15.970 -5.629 1.00 0.00 N ATOM 705 CZ ARG C 46 64.697 16.984 -6.444 1.00 0.00 C ATOM 706 NH1 ARG C 46 65.082 18.170 -6.061 1.00 0.00 N ATOM 707 NH2 ARG C 46 64.211 16.812 -7.644 1.00 0.00 N ATOM 0 H ARG C 46 62.100 12.867 -3.548 1.00 0.00 H new ATOM 0 HA ARG C 46 60.911 15.598 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.672 14.134 -5.442 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.440 15.868 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG C 46 63.249 15.254 -2.745 1.00 0.00 H new ATOM 0 HG3 ARG C 46 64.173 14.102 -3.689 1.00 0.00 H new ATOM 0 HD2 ARG C 46 64.179 17.150 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG C 46 65.544 16.101 -3.626 1.00 0.00 H new ATOM 0 HE ARG C 46 65.011 15.042 -5.994 1.00 0.00 H new ATOM 0 HH11 ARG C 46 65.462 18.305 -5.124 1.00 0.00 H new ATOM 0 HH12 ARG C 46 65.004 18.962 -6.699 1.00 0.00 H new ATOM 0 HH21 ARG C 46 63.910 15.885 -7.944 1.00 0.00 H new ATOM 0 HH22 ARG C 46 64.133 17.605 -8.281 1.00 0.00 H new ATOM 721 N MET C 47 59.929 13.334 -5.539 1.00 0.00 N ATOM 722 CA MET C 47 58.838 13.051 -6.515 1.00 0.00 C ATOM 723 C MET C 47 57.474 13.143 -5.827 1.00 0.00 C ATOM 724 O MET C 47 56.487 13.510 -6.433 1.00 0.00 O ATOM 725 CB MET C 47 59.106 11.627 -7.002 1.00 0.00 C ATOM 726 CG MET C 47 60.268 11.641 -7.998 1.00 0.00 C ATOM 727 SD MET C 47 59.812 10.699 -9.475 1.00 0.00 S ATOM 728 CE MET C 47 59.580 9.101 -8.657 1.00 0.00 C ATOM 0 H MET C 47 60.554 12.551 -5.348 1.00 0.00 H new ATOM 0 HA MET C 47 58.821 13.765 -7.338 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.344 10.981 -6.157 1.00 0.00 H new ATOM 0 HB3 MET C 47 58.213 11.218 -7.474 1.00 0.00 H new ATOM 0 HG2 MET C 47 60.515 12.667 -8.270 1.00 0.00 H new ATOM 0 HG3 MET C 47 61.158 11.210 -7.540 1.00 0.00 H new ATOM 0 HE1 MET C 47 60.045 8.316 -9.254 1.00 0.00 H new ATOM 0 HE2 MET C 47 60.041 9.127 -7.670 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.514 8.896 -8.555 1.00 0.00 H new ATOM 738 N LEU C 48 57.409 12.821 -4.563 1.00 0.00 N ATOM 739 CA LEU C 48 56.105 12.904 -3.844 1.00 0.00 C ATOM 740 C LEU C 48 55.737 14.372 -3.614 1.00 0.00 C ATOM 741 O LEU C 48 54.596 14.767 -3.743 1.00 0.00 O ATOM 742 CB LEU C 48 56.328 12.197 -2.504 1.00 0.00 C ATOM 743 CG LEU C 48 56.909 10.800 -2.735 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.411 10.238 -1.405 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.828 9.874 -3.295 1.00 0.00 C ATOM 0 H LEU C 48 58.198 12.506 -3.999 1.00 0.00 H new ATOM 0 HA LEU C 48 55.294 12.445 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.006 12.783 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.385 12.122 -1.963 1.00 0.00 H new ATOM 0 HG LEU C 48 57.732 10.865 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.826 9.243 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU C 48 58.183 10.893 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.582 10.177 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU C 48 56.248 8.881 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU C 48 55.003 9.808 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.462 10.272 -4.241 1.00 0.00 H new ATOM 757 N GLY C 49 56.702 15.185 -3.277 1.00 0.00 N ATOM 758 CA GLY C 49 56.415 16.627 -3.038 1.00 0.00 C ATOM 759 C GLY C 49 56.932 17.032 -1.655 1.00 0.00 C ATOM 760 O GLY C 49 56.403 17.924 -1.022 1.00 0.00 O ATOM 0 H GLY C 49 57.677 14.912 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY C 49 56.891 17.235 -3.807 1.00 0.00 H new ATOM 0 HA3 GLY C 49 55.343 16.810 -3.104 1.00 0.00 H new ATOM 764 N GLN C 50 57.964 16.386 -1.181 1.00 0.00 N ATOM 765 CA GLN C 50 58.512 16.738 0.161 1.00 0.00 C ATOM 766 C GLN C 50 60.023 16.492 0.199 1.00 0.00 C ATOM 767 O GLN C 50 60.654 16.285 -0.819 1.00 0.00 O ATOM 768 CB GLN C 50 57.793 15.807 1.138 1.00 0.00 C ATOM 769 CG GLN C 50 56.567 16.517 1.715 1.00 0.00 C ATOM 770 CD GLN C 50 55.355 15.587 1.634 1.00 0.00 C ATOM 771 OE1 GLN C 50 55.242 14.649 2.397 1.00 0.00 O ATOM 772 NE2 GLN C 50 54.439 15.808 0.732 1.00 0.00 N ATOM 0 H GLN C 50 58.450 15.631 -1.664 1.00 0.00 H new ATOM 0 HA GLN C 50 58.356 17.788 0.407 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.490 14.892 0.628 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.469 15.515 1.942 1.00 0.00 H new ATOM 0 HG2 GLN C 50 56.752 16.802 2.751 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.372 17.436 1.162 1.00 0.00 H new ATOM 0 HE21 GLN C 50 54.534 16.596 0.091 1.00 0.00 H new ATOM 0 HE22 GLN C 50 53.628 15.193 0.668 1.00 0.00 H new ATOM 781 N ASN C 51 60.606 16.514 1.366 1.00 0.00 N ATOM 782 CA ASN C 51 62.076 16.283 1.469 1.00 0.00 C ATOM 783 C ASN C 51 62.479 16.081 2.933 1.00 0.00 C ATOM 784 O ASN C 51 62.650 17.035 3.665 1.00 0.00 O ATOM 785 CB ASN C 51 62.715 17.555 0.910 1.00 0.00 C ATOM 786 CG ASN C 51 64.001 17.194 0.163 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.016 17.132 -1.049 1.00 0.00 O ATOM 788 ND2 ASN C 51 65.088 16.951 0.842 1.00 0.00 N ATOM 0 H ASN C 51 60.129 16.682 2.252 1.00 0.00 H new ATOM 0 HA ASN C 51 62.393 15.393 0.926 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.020 18.058 0.238 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.935 18.250 1.720 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.951 16.709 0.354 1.00 0.00 H new ATOM 0 HD22 ASN C 51 65.075 17.003 1.861 1.00 0.00 H new ATOM 795 N PRO C 52 62.615 14.838 3.311 1.00 0.00 N ATOM 796 CA PRO C 52 63.000 14.508 4.704 1.00 0.00 C ATOM 797 C PRO C 52 64.489 14.789 4.926 1.00 0.00 C ATOM 798 O PRO C 52 65.234 15.016 3.994 1.00 0.00 O ATOM 799 CB PRO C 52 62.711 13.015 4.811 1.00 0.00 C ATOM 800 CG PRO C 52 62.795 12.500 3.409 1.00 0.00 C ATOM 801 CD PRO C 52 62.425 13.637 2.489 1.00 0.00 C ATOM 0 HA PRO C 52 62.463 15.097 5.448 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.435 12.519 5.457 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.725 12.834 5.239 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.801 12.142 3.191 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.119 11.657 3.268 1.00 0.00 H new ATOM 0 HD2 PRO C 52 63.060 13.656 1.603 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.395 13.550 2.142 1.00 0.00 H new ATOM 809 N THR C 53 64.929 14.772 6.155 1.00 0.00 N ATOM 810 CA THR C 53 66.369 15.034 6.433 1.00 0.00 C ATOM 811 C THR C 53 67.206 13.804 6.072 1.00 0.00 C ATOM 812 O THR C 53 66.671 12.758 5.760 1.00 0.00 O ATOM 813 CB THR C 53 66.441 15.305 7.937 1.00 0.00 C ATOM 814 OG1 THR C 53 65.309 14.731 8.575 1.00 0.00 O ATOM 815 CG2 THR C 53 66.457 16.814 8.184 1.00 0.00 C ATOM 0 H THR C 53 64.354 14.588 6.977 1.00 0.00 H new ATOM 0 HA THR C 53 66.757 15.869 5.849 1.00 0.00 H new ATOM 0 HB THR C 53 67.350 14.862 8.343 1.00 0.00 H new ATOM 0 HG1 THR C 53 64.604 15.407 8.661 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.508 17.007 9.256 1.00 0.00 H new ATOM 0 HG22 THR C 53 67.326 17.254 7.694 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.548 17.259 7.778 1.00 0.00 H new ATOM 823 N PRO C 54 68.498 13.975 6.129 1.00 0.00 N ATOM 824 CA PRO C 54 69.429 12.867 5.806 1.00 0.00 C ATOM 825 C PRO C 54 69.421 11.819 6.924 1.00 0.00 C ATOM 826 O PRO C 54 69.779 10.676 6.718 1.00 0.00 O ATOM 827 CB PRO C 54 70.787 13.558 5.715 1.00 0.00 C ATOM 828 CG PRO C 54 70.652 14.789 6.553 1.00 0.00 C ATOM 829 CD PRO C 54 69.206 15.205 6.497 1.00 0.00 C ATOM 0 HA PRO C 54 69.165 12.336 4.892 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.584 12.913 6.086 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.034 13.808 4.683 1.00 0.00 H new ATOM 0 HG2 PRO C 54 70.956 14.591 7.581 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.296 15.584 6.177 1.00 0.00 H new ATOM 0 HD2 PRO C 54 68.864 15.591 7.457 1.00 0.00 H new ATOM 0 HD3 PRO C 54 69.045 15.993 5.762 1.00 0.00 H new ATOM 837 N GLU C 55 69.013 12.198 8.104 1.00 0.00 N ATOM 838 CA GLU C 55 68.981 11.221 9.230 1.00 0.00 C ATOM 839 C GLU C 55 67.754 10.314 9.104 1.00 0.00 C ATOM 840 O GLU C 55 67.804 9.142 9.423 1.00 0.00 O ATOM 841 CB GLU C 55 68.891 12.075 10.494 1.00 0.00 C ATOM 842 CG GLU C 55 70.296 12.501 10.924 1.00 0.00 C ATOM 843 CD GLU C 55 70.201 13.706 11.861 1.00 0.00 C ATOM 844 OE1 GLU C 55 70.135 14.818 11.362 1.00 0.00 O ATOM 845 OE2 GLU C 55 70.199 13.498 13.063 1.00 0.00 O ATOM 0 H GLU C 55 68.701 13.141 8.337 1.00 0.00 H new ATOM 0 HA GLU C 55 69.857 10.572 9.241 1.00 0.00 H new ATOM 0 HB2 GLU C 55 68.274 12.954 10.308 1.00 0.00 H new ATOM 0 HB3 GLU C 55 68.410 11.511 11.293 1.00 0.00 H new ATOM 0 HG2 GLU C 55 70.800 11.675 11.427 1.00 0.00 H new ATOM 0 HG3 GLU C 55 70.894 12.754 10.049 1.00 0.00 H new ATOM 852 N GLU C 56 66.657 10.843 8.639 1.00 0.00 N ATOM 853 CA GLU C 56 65.433 10.005 8.489 1.00 0.00 C ATOM 854 C GLU C 56 65.612 9.021 7.330 1.00 0.00 C ATOM 855 O GLU C 56 65.077 7.931 7.340 1.00 0.00 O ATOM 856 CB GLU C 56 64.307 10.995 8.182 1.00 0.00 C ATOM 857 CG GLU C 56 64.085 11.911 9.389 1.00 0.00 C ATOM 858 CD GLU C 56 63.459 11.110 10.532 1.00 0.00 C ATOM 859 OE1 GLU C 56 63.047 9.987 10.287 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.401 11.631 11.633 1.00 0.00 O ATOM 0 H GLU C 56 66.554 11.818 8.357 1.00 0.00 H new ATOM 0 HA GLU C 56 65.223 9.416 9.381 1.00 0.00 H new ATOM 0 HB2 GLU C 56 64.561 11.589 7.304 1.00 0.00 H new ATOM 0 HB3 GLU C 56 63.389 10.456 7.948 1.00 0.00 H new ATOM 0 HG2 GLU C 56 65.033 12.342 9.710 1.00 0.00 H new ATOM 0 HG3 GLU C 56 63.434 12.741 9.114 1.00 0.00 H new ATOM 867 N LEU C 57 66.361 9.402 6.331 1.00 0.00 N ATOM 868 CA LEU C 57 66.575 8.490 5.171 1.00 0.00 C ATOM 869 C LEU C 57 67.098 7.135 5.651 1.00 0.00 C ATOM 870 O LEU C 57 66.450 6.119 5.497 1.00 0.00 O ATOM 871 CB LEU C 57 67.620 9.193 4.304 1.00 0.00 C ATOM 872 CG LEU C 57 67.052 9.424 2.902 1.00 0.00 C ATOM 873 CD1 LEU C 57 68.161 9.931 1.979 1.00 0.00 C ATOM 874 CD2 LEU C 57 66.498 8.107 2.354 1.00 0.00 C ATOM 0 H LEU C 57 66.833 10.304 6.268 1.00 0.00 H new ATOM 0 HA LEU C 57 65.653 8.296 4.622 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.901 10.145 4.755 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.525 8.589 4.246 1.00 0.00 H new ATOM 0 HG LEU C 57 66.253 10.164 2.951 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.756 10.096 0.980 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.558 10.868 2.368 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.960 9.191 1.929 1.00 0.00 H new ATOM 0 HD21 LEU C 57 66.093 8.270 1.355 1.00 0.00 H new ATOM 0 HD22 LEU C 57 67.298 7.368 2.305 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.708 7.743 3.011 1.00 0.00 H new ATOM 886 N GLN C 58 68.265 7.110 6.234 1.00 0.00 N ATOM 887 CA GLN C 58 68.822 5.815 6.724 1.00 0.00 C ATOM 888 C GLN C 58 67.749 5.053 7.506 1.00 0.00 C ATOM 889 O GLN C 58 67.713 3.838 7.506 1.00 0.00 O ATOM 890 CB GLN C 58 69.984 6.201 7.638 1.00 0.00 C ATOM 891 CG GLN C 58 71.252 5.473 7.188 1.00 0.00 C ATOM 892 CD GLN C 58 71.458 4.225 8.047 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.646 3.072 7.466 1.00 0.00 O flip ATOM 894 NE2 GLN C 58 71.451 4.300 9.260 1.00 0.00 N flip ATOM 0 H GLN C 58 68.856 7.926 6.392 1.00 0.00 H new ATOM 0 HA GLN C 58 69.149 5.167 5.911 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.141 7.279 7.608 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.750 5.941 8.670 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.170 5.194 6.137 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.114 6.134 7.276 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.304 5.201 9.714 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.592 3.462 9.824 1.00 0.00 H new ATOM 903 N GLU C 59 66.873 5.758 8.169 1.00 0.00 N ATOM 904 CA GLU C 59 65.800 5.074 8.945 1.00 0.00 C ATOM 905 C GLU C 59 65.008 4.140 8.026 1.00 0.00 C ATOM 906 O GLU C 59 64.843 2.969 8.305 1.00 0.00 O ATOM 907 CB GLU C 59 64.907 6.201 9.463 1.00 0.00 C ATOM 908 CG GLU C 59 64.281 5.787 10.796 1.00 0.00 C ATOM 909 CD GLU C 59 65.387 5.544 11.823 1.00 0.00 C ATOM 910 OE1 GLU C 59 66.441 6.144 11.683 1.00 0.00 O ATOM 911 OE2 GLU C 59 65.164 4.762 12.732 1.00 0.00 O ATOM 0 H GLU C 59 66.854 6.777 8.207 1.00 0.00 H new ATOM 0 HA GLU C 59 66.196 4.465 9.757 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.491 7.112 9.591 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.126 6.423 8.736 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.605 6.565 11.150 1.00 0.00 H new ATOM 0 HG3 GLU C 59 63.686 4.883 10.666 1.00 0.00 H new ATOM 918 N MET C 60 64.523 4.651 6.928 1.00 0.00 N ATOM 919 CA MET C 60 63.748 3.795 5.986 1.00 0.00 C ATOM 920 C MET C 60 64.523 2.508 5.690 1.00 0.00 C ATOM 921 O MET C 60 63.951 1.448 5.534 1.00 0.00 O ATOM 922 CB MET C 60 63.597 4.641 4.721 1.00 0.00 C ATOM 923 CG MET C 60 62.509 5.693 4.939 1.00 0.00 C ATOM 924 SD MET C 60 63.245 7.346 4.863 1.00 0.00 S ATOM 925 CE MET C 60 62.647 7.780 3.211 1.00 0.00 C ATOM 0 H MET C 60 64.630 5.624 6.642 1.00 0.00 H new ATOM 0 HA MET C 60 62.781 3.496 6.391 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.543 5.125 4.479 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.339 4.005 3.874 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.734 5.593 4.179 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.029 5.541 5.906 1.00 0.00 H new ATOM 0 HE1 MET C 60 63.446 8.264 2.650 1.00 0.00 H new ATOM 0 HE2 MET C 60 62.333 6.876 2.689 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.801 8.461 3.298 1.00 0.00 H new ATOM 935 N ILE C 61 65.824 2.595 5.616 1.00 0.00 N ATOM 936 CA ILE C 61 66.640 1.378 5.337 1.00 0.00 C ATOM 937 C ILE C 61 66.940 0.637 6.642 1.00 0.00 C ATOM 938 O ILE C 61 66.723 -0.554 6.755 1.00 0.00 O ATOM 939 CB ILE C 61 67.932 1.907 4.714 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.658 2.344 3.274 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.992 0.803 4.719 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.107 3.771 3.271 1.00 0.00 C ATOM 0 H ILE C 61 66.357 3.456 5.737 1.00 0.00 H new ATOM 0 HA ILE C 61 66.127 0.675 4.681 1.00 0.00 H new ATOM 0 HB ILE C 61 68.293 2.758 5.292 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.575 2.296 2.687 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.944 1.666 2.806 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.913 1.181 4.275 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.186 0.489 5.745 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.633 -0.049 4.141 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.911 4.083 2.245 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.180 3.804 3.843 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.836 4.444 3.722 1.00 0.00 H new ATOM 954 N ASP C 62 67.437 1.332 7.628 1.00 0.00 N ATOM 955 CA ASP C 62 67.751 0.668 8.926 1.00 0.00 C ATOM 956 C ASP C 62 66.514 -0.060 9.459 1.00 0.00 C ATOM 957 O ASP C 62 66.617 -1.061 10.139 1.00 0.00 O ATOM 958 CB ASP C 62 68.148 1.807 9.866 1.00 0.00 C ATOM 959 CG ASP C 62 69.552 1.547 10.416 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.688 0.657 11.240 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.466 2.241 10.004 1.00 0.00 O ATOM 0 H ASP C 62 67.639 2.331 7.592 1.00 0.00 H new ATOM 0 HA ASP C 62 68.541 -0.076 8.830 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.125 2.758 9.333 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.433 1.883 10.685 1.00 0.00 H new ATOM 966 N GLU C 63 65.346 0.437 9.158 1.00 0.00 N ATOM 967 CA GLU C 63 64.104 -0.228 9.650 1.00 0.00 C ATOM 968 C GLU C 63 64.044 -1.674 9.152 1.00 0.00 C ATOM 969 O GLU C 63 63.439 -2.528 9.769 1.00 0.00 O ATOM 970 CB GLU C 63 62.955 0.591 9.063 1.00 0.00 C ATOM 971 CG GLU C 63 61.891 0.816 10.139 1.00 0.00 C ATOM 972 CD GLU C 63 61.000 1.993 9.741 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.059 2.394 8.590 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.272 2.474 10.594 1.00 0.00 O ATOM 0 H GLU C 63 65.197 1.273 8.594 1.00 0.00 H new ATOM 0 HA GLU C 63 64.061 -0.267 10.738 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.326 1.548 8.697 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.521 0.070 8.210 1.00 0.00 H new ATOM 0 HG2 GLU C 63 61.288 -0.084 10.263 1.00 0.00 H new ATOM 0 HG3 GLU C 63 62.367 1.015 11.099 1.00 0.00 H new ATOM 981 N VAL C 64 64.665 -1.957 8.040 1.00 0.00 N ATOM 982 CA VAL C 64 64.642 -3.349 7.507 1.00 0.00 C ATOM 983 C VAL C 64 66.034 -3.745 7.006 1.00 0.00 C ATOM 984 O VAL C 64 66.236 -3.987 5.833 1.00 0.00 O ATOM 985 CB VAL C 64 63.645 -3.314 6.350 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.277 -2.867 6.868 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.134 -2.328 5.287 1.00 0.00 C ATOM 0 H VAL C 64 65.187 -1.285 7.478 1.00 0.00 H new ATOM 0 HA VAL C 64 64.358 -4.078 8.266 1.00 0.00 H new ATOM 0 HB VAL C 64 63.560 -4.309 5.913 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.566 -2.842 6.042 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.928 -3.568 7.626 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.361 -1.872 7.305 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.424 -2.302 4.461 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.218 -1.333 5.725 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.109 -2.645 4.917 1.00 0.00 H new ATOM 997 N ASP C 65 66.994 -3.811 7.887 1.00 0.00 N ATOM 998 CA ASP C 65 68.371 -4.189 7.463 1.00 0.00 C ATOM 999 C ASP C 65 68.936 -5.262 8.397 1.00 0.00 C ATOM 1000 O ASP C 65 69.215 -5.007 9.552 1.00 0.00 O ATOM 1001 CB ASP C 65 69.187 -2.901 7.574 1.00 0.00 C ATOM 1002 CG ASP C 65 69.804 -2.566 6.215 1.00 0.00 C ATOM 1003 OD1 ASP C 65 69.061 -2.176 5.329 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.008 -2.706 6.083 1.00 0.00 O ATOM 0 H ASP C 65 66.884 -3.619 8.883 1.00 0.00 H new ATOM 0 HA ASP C 65 68.393 -4.601 6.454 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.549 -2.082 7.907 1.00 0.00 H new ATOM 0 HB3 ASP C 65 69.971 -3.019 8.322 1.00 0.00 H new ATOM 1009 N GLU C 66 69.111 -6.459 7.909 1.00 0.00 N ATOM 1010 CA GLU C 66 69.660 -7.542 8.776 1.00 0.00 C ATOM 1011 C GLU C 66 70.953 -8.095 8.173 1.00 0.00 C ATOM 1012 O GLU C 66 71.247 -9.269 8.279 1.00 0.00 O ATOM 1013 CB GLU C 66 68.575 -8.619 8.805 1.00 0.00 C ATOM 1014 CG GLU C 66 67.610 -8.337 9.956 1.00 0.00 C ATOM 1015 CD GLU C 66 67.218 -9.652 10.633 1.00 0.00 C ATOM 1016 OE1 GLU C 66 67.700 -10.685 10.196 1.00 0.00 O ATOM 1017 OE2 GLU C 66 66.445 -9.604 11.574 1.00 0.00 O ATOM 0 H GLU C 66 68.899 -6.735 6.950 1.00 0.00 H new ATOM 0 HA GLU C 66 69.903 -7.186 9.777 1.00 0.00 H new ATOM 0 HB2 GLU C 66 68.035 -8.632 7.858 1.00 0.00 H new ATOM 0 HB3 GLU C 66 69.027 -9.603 8.928 1.00 0.00 H new ATOM 0 HG2 GLU C 66 68.077 -7.669 10.680 1.00 0.00 H new ATOM 0 HG3 GLU C 66 66.721 -7.830 9.582 1.00 0.00 H new ATOM 1024 N ASP C 67 71.728 -7.256 7.542 1.00 0.00 N ATOM 1025 CA ASP C 67 73.004 -7.731 6.932 1.00 0.00 C ATOM 1026 C ASP C 67 74.101 -6.680 7.121 1.00 0.00 C ATOM 1027 O ASP C 67 75.106 -6.690 6.440 1.00 0.00 O ATOM 1028 CB ASP C 67 72.694 -7.923 5.445 1.00 0.00 C ATOM 1029 CG ASP C 67 71.839 -6.758 4.939 1.00 0.00 C ATOM 1030 OD1 ASP C 67 72.014 -5.659 5.440 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.025 -6.985 4.061 1.00 0.00 O ATOM 0 H ASP C 67 71.534 -6.262 7.422 1.00 0.00 H new ATOM 0 HA ASP C 67 73.361 -8.652 7.392 1.00 0.00 H new ATOM 0 HB2 ASP C 67 73.621 -7.980 4.875 1.00 0.00 H new ATOM 0 HB3 ASP C 67 72.168 -8.865 5.292 1.00 0.00 H new ATOM 1036 N GLY C 68 73.915 -5.774 8.043 1.00 0.00 N ATOM 1037 CA GLY C 68 74.947 -4.724 8.276 1.00 0.00 C ATOM 1038 C GLY C 68 75.447 -4.190 6.934 1.00 0.00 C ATOM 1039 O GLY C 68 76.592 -3.808 6.793 1.00 0.00 O ATOM 0 H GLY C 68 73.093 -5.716 8.644 1.00 0.00 H new ATOM 0 HA2 GLY C 68 74.526 -3.911 8.868 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.778 -5.137 8.847 1.00 0.00 H new ATOM 1043 N SER C 69 74.595 -4.160 5.946 1.00 0.00 N ATOM 1044 CA SER C 69 75.019 -3.650 4.610 1.00 0.00 C ATOM 1045 C SER C 69 74.587 -2.192 4.445 1.00 0.00 C ATOM 1046 O SER C 69 75.257 -1.404 3.807 1.00 0.00 O ATOM 1047 CB SER C 69 74.296 -4.539 3.600 1.00 0.00 C ATOM 1048 OG SER C 69 72.893 -4.336 3.715 1.00 0.00 O ATOM 0 H SER C 69 73.624 -4.466 6.005 1.00 0.00 H new ATOM 0 HA SER C 69 76.101 -3.680 4.478 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.627 -4.304 2.589 1.00 0.00 H new ATOM 0 HB3 SER C 69 74.540 -5.586 3.780 1.00 0.00 H new ATOM 0 HG SER C 69 72.600 -4.579 4.618 1.00 0.00 H new ATOM 1054 N GLY C 70 73.473 -1.828 5.017 1.00 0.00 N ATOM 1055 CA GLY C 70 72.997 -0.421 4.896 1.00 0.00 C ATOM 1056 C GLY C 70 72.068 -0.299 3.687 1.00 0.00 C ATOM 1057 O GLY C 70 71.423 0.711 3.488 1.00 0.00 O ATOM 0 H GLY C 70 72.871 -2.444 5.563 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.471 -0.124 5.804 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.846 0.253 4.785 1.00 0.00 H new ATOM 1061 N THR C 71 71.992 -1.321 2.878 1.00 0.00 N ATOM 1062 CA THR C 71 71.103 -1.262 1.684 1.00 0.00 C ATOM 1063 C THR C 71 69.881 -2.159 1.894 1.00 0.00 C ATOM 1064 O THR C 71 69.897 -3.068 2.700 1.00 0.00 O ATOM 1065 CB THR C 71 71.957 -1.776 0.525 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.594 -2.987 0.909 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.015 -0.731 0.168 1.00 0.00 C ATOM 0 H THR C 71 72.507 -2.194 2.993 1.00 0.00 H new ATOM 0 HA THR C 71 70.730 -0.256 1.495 1.00 0.00 H new ATOM 0 HB THR C 71 71.323 -1.959 -0.342 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.141 -3.319 0.166 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.624 -1.097 -0.658 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.525 0.197 -0.126 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.651 -0.547 1.034 1.00 0.00 H new ATOM 1075 N VAL C 72 68.822 -1.908 1.176 1.00 0.00 N ATOM 1076 CA VAL C 72 67.598 -2.744 1.339 1.00 0.00 C ATOM 1077 C VAL C 72 67.327 -3.541 0.060 1.00 0.00 C ATOM 1078 O VAL C 72 67.401 -3.022 -1.037 1.00 0.00 O ATOM 1079 CB VAL C 72 66.470 -1.744 1.604 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.117 -2.399 1.319 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.520 -1.300 3.068 1.00 0.00 C ATOM 0 H VAL C 72 68.750 -1.162 0.484 1.00 0.00 H new ATOM 0 HA VAL C 72 67.695 -3.470 2.146 1.00 0.00 H new ATOM 0 HB VAL C 72 66.595 -0.880 0.952 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.318 -1.682 1.510 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.079 -2.716 0.277 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.989 -3.266 1.967 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.718 -0.588 3.260 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.397 -2.168 3.716 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.481 -0.828 3.272 1.00 0.00 H new ATOM 1091 N ASP C 73 67.004 -4.797 0.194 1.00 0.00 N ATOM 1092 CA ASP C 73 66.717 -5.628 -1.009 1.00 0.00 C ATOM 1093 C ASP C 73 65.210 -5.859 -1.132 1.00 0.00 C ATOM 1094 O ASP C 73 64.442 -5.465 -0.277 1.00 0.00 O ATOM 1095 CB ASP C 73 67.448 -6.950 -0.762 1.00 0.00 C ATOM 1096 CG ASP C 73 67.032 -7.515 0.596 1.00 0.00 C ATOM 1097 OD1 ASP C 73 65.843 -7.687 0.805 1.00 0.00 O ATOM 1098 OD2 ASP C 73 67.910 -7.768 1.405 1.00 0.00 O ATOM 0 H ASP C 73 66.926 -5.285 1.086 1.00 0.00 H new ATOM 0 HA ASP C 73 67.045 -5.152 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.211 -7.662 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP C 73 68.526 -6.792 -0.788 1.00 0.00 H new ATOM 1103 N PHE C 74 64.776 -6.495 -2.186 1.00 0.00 N ATOM 1104 CA PHE C 74 63.315 -6.744 -2.353 1.00 0.00 C ATOM 1105 C PHE C 74 62.779 -7.552 -1.167 1.00 0.00 C ATOM 1106 O PHE C 74 61.585 -7.646 -0.958 1.00 0.00 O ATOM 1107 CB PHE C 74 63.188 -7.547 -3.647 1.00 0.00 C ATOM 1108 CG PHE C 74 61.798 -8.130 -3.737 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.695 -7.283 -3.897 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.611 -9.515 -3.658 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.404 -7.821 -3.977 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.321 -10.054 -3.738 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.218 -9.206 -3.897 1.00 0.00 C ATOM 0 H PHE C 74 65.367 -6.852 -2.937 1.00 0.00 H new ATOM 0 HA PHE C 74 62.743 -5.817 -2.394 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.383 -6.906 -4.507 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.931 -8.344 -3.669 1.00 0.00 H new ATOM 0 HD1 PHE C 74 60.839 -6.214 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.462 -10.168 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.553 -7.168 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE C 74 60.177 -11.123 -3.677 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.223 -9.621 -3.958 1.00 0.00 H new ATOM 1123 N ASP C 75 63.651 -8.137 -0.392 1.00 0.00 N ATOM 1124 CA ASP C 75 63.190 -8.941 0.777 1.00 0.00 C ATOM 1125 C ASP C 75 63.078 -8.057 2.023 1.00 0.00 C ATOM 1126 O ASP C 75 62.249 -8.280 2.882 1.00 0.00 O ATOM 1127 CB ASP C 75 64.270 -10.005 0.974 1.00 0.00 C ATOM 1128 CG ASP C 75 63.718 -11.375 0.575 1.00 0.00 C ATOM 1129 OD1 ASP C 75 62.823 -11.850 1.253 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.202 -11.924 -0.401 1.00 0.00 O ATOM 0 H ASP C 75 64.662 -8.093 -0.517 1.00 0.00 H new ATOM 0 HA ASP C 75 62.206 -9.380 0.611 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.146 -9.765 0.371 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.594 -10.021 2.015 1.00 0.00 H new ATOM 1135 N GLU C 76 63.910 -7.058 2.129 1.00 0.00 N ATOM 1136 CA GLU C 76 63.855 -6.163 3.322 1.00 0.00 C ATOM 1137 C GLU C 76 62.820 -5.056 3.110 1.00 0.00 C ATOM 1138 O GLU C 76 62.201 -4.584 4.044 1.00 0.00 O ATOM 1139 CB GLU C 76 65.259 -5.569 3.434 1.00 0.00 C ATOM 1140 CG GLU C 76 66.144 -6.500 4.264 1.00 0.00 C ATOM 1141 CD GLU C 76 67.567 -5.940 4.319 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.800 -4.907 3.713 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.400 -6.553 4.966 1.00 0.00 O ATOM 0 H GLU C 76 64.626 -6.822 1.442 1.00 0.00 H new ATOM 0 HA GLU C 76 63.563 -6.698 4.226 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.688 -5.433 2.441 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.212 -4.584 3.899 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.742 -6.598 5.272 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.152 -7.498 3.826 1.00 0.00 H new ATOM 1150 N PHE C 77 62.627 -4.634 1.891 1.00 0.00 N ATOM 1151 CA PHE C 77 61.634 -3.555 1.624 1.00 0.00 C ATOM 1152 C PHE C 77 60.217 -4.048 1.926 1.00 0.00 C ATOM 1153 O PHE C 77 59.346 -3.282 2.291 1.00 0.00 O ATOM 1154 CB PHE C 77 61.783 -3.237 0.137 1.00 0.00 C ATOM 1155 CG PHE C 77 60.691 -2.285 -0.285 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.833 -0.911 -0.057 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.536 -2.776 -0.905 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.819 -0.028 -0.449 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.523 -1.893 -1.297 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.664 -0.519 -1.069 1.00 0.00 C ATOM 0 H PHE C 77 63.114 -4.989 1.068 1.00 0.00 H new ATOM 0 HA PHE C 77 61.804 -2.678 2.249 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.760 -2.794 -0.055 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.727 -4.154 -0.449 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.724 -0.532 0.421 1.00 0.00 H new ATOM 0 HD2 PHE C 77 59.426 -3.836 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.928 1.032 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE C 77 57.632 -2.272 -1.776 1.00 0.00 H new ATOM 0 HZ PHE C 77 57.882 0.162 -1.371 1.00 0.00 H new ATOM 1170 N LEU C 78 59.976 -5.321 1.774 1.00 0.00 N ATOM 1171 CA LEU C 78 58.613 -5.861 2.047 1.00 0.00 C ATOM 1172 C LEU C 78 58.253 -5.683 3.526 1.00 0.00 C ATOM 1173 O LEU C 78 57.109 -5.466 3.872 1.00 0.00 O ATOM 1174 CB LEU C 78 58.697 -7.345 1.689 1.00 0.00 C ATOM 1175 CG LEU C 78 58.870 -7.493 0.176 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.416 -8.886 -0.144 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.516 -7.309 -0.510 1.00 0.00 C ATOM 0 H LEU C 78 60.664 -6.011 1.473 1.00 0.00 H new ATOM 0 HA LEU C 78 57.844 -5.345 1.473 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.535 -7.809 2.209 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.794 -7.861 2.015 1.00 0.00 H new ATOM 0 HG LEU C 78 59.569 -6.738 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU C 78 59.539 -8.990 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.381 -9.020 0.346 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.718 -9.642 0.216 1.00 0.00 H new ATOM 0 HD21 LEU C 78 57.637 -7.414 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.819 -8.065 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.125 -6.317 -0.284 1.00 0.00 H new ATOM 1189 N VAL C 79 59.218 -5.777 4.399 1.00 0.00 N ATOM 1190 CA VAL C 79 58.922 -5.616 5.853 1.00 0.00 C ATOM 1191 C VAL C 79 58.659 -4.144 6.184 1.00 0.00 C ATOM 1192 O VAL C 79 57.947 -3.827 7.116 1.00 0.00 O ATOM 1193 CB VAL C 79 60.179 -6.108 6.569 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.065 -5.807 8.064 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.323 -7.617 6.363 1.00 0.00 C ATOM 0 H VAL C 79 60.196 -5.958 4.171 1.00 0.00 H new ATOM 0 HA VAL C 79 58.034 -6.171 6.156 1.00 0.00 H new ATOM 0 HB VAL C 79 61.053 -5.599 6.162 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.961 -6.158 8.575 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.960 -4.732 8.212 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.192 -6.316 8.472 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.219 -7.970 6.873 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.449 -8.125 6.771 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.403 -7.833 5.298 1.00 0.00 H new ATOM 1205 N MET C 80 59.229 -3.245 5.432 1.00 0.00 N ATOM 1206 CA MET C 80 59.011 -1.796 5.708 1.00 0.00 C ATOM 1207 C MET C 80 57.552 -1.419 5.442 1.00 0.00 C ATOM 1208 O MET C 80 57.106 -0.344 5.791 1.00 0.00 O ATOM 1209 CB MET C 80 59.941 -1.066 4.740 1.00 0.00 C ATOM 1210 CG MET C 80 60.710 0.022 5.492 1.00 0.00 C ATOM 1211 SD MET C 80 60.151 1.651 4.937 1.00 0.00 S ATOM 1212 CE MET C 80 60.616 1.471 3.197 1.00 0.00 C ATOM 0 H MET C 80 59.836 -3.450 4.638 1.00 0.00 H new ATOM 0 HA MET C 80 59.219 -1.537 6.746 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.638 -1.771 4.287 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.363 -0.623 3.929 1.00 0.00 H new ATOM 0 HG2 MET C 80 60.552 -0.082 6.565 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.780 -0.086 5.316 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.019 2.414 2.829 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.372 0.692 3.101 1.00 0.00 H new ATOM 0 HE3 MET C 80 59.738 1.198 2.612 1.00 0.00 H new ATOM 1222 N MET C 81 56.804 -2.295 4.829 1.00 0.00 N ATOM 1223 CA MET C 81 55.374 -1.984 4.543 1.00 0.00 C ATOM 1224 C MET C 81 54.467 -2.665 5.570 1.00 0.00 C ATOM 1225 O MET C 81 53.287 -2.389 5.651 1.00 0.00 O ATOM 1226 CB MET C 81 55.117 -2.546 3.145 1.00 0.00 C ATOM 1227 CG MET C 81 55.684 -1.588 2.095 1.00 0.00 C ATOM 1228 SD MET C 81 54.838 0.006 2.216 1.00 0.00 S ATOM 1229 CE MET C 81 55.645 0.799 0.803 1.00 0.00 C ATOM 0 H MET C 81 57.120 -3.212 4.514 1.00 0.00 H new ATOM 0 HA MET C 81 55.167 -0.915 4.597 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.581 -3.527 3.045 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.047 -2.682 2.988 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.755 -1.456 2.248 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.554 -2.006 1.097 1.00 0.00 H new ATOM 0 HE1 MET C 81 55.265 1.814 0.690 1.00 0.00 H new ATOM 0 HE2 MET C 81 56.722 0.831 0.970 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.435 0.230 -0.103 1.00 0.00 H new ATOM 1239 N VAL C 82 55.009 -3.554 6.357 1.00 0.00 N ATOM 1240 CA VAL C 82 54.177 -4.251 7.380 1.00 0.00 C ATOM 1241 C VAL C 82 54.214 -3.479 8.702 1.00 0.00 C ATOM 1242 O VAL C 82 53.211 -3.328 9.371 1.00 0.00 O ATOM 1243 CB VAL C 82 54.815 -5.633 7.550 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.805 -6.587 8.186 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.236 -6.182 6.183 1.00 0.00 C ATOM 0 H VAL C 82 55.991 -3.828 6.336 1.00 0.00 H new ATOM 0 HA VAL C 82 53.132 -4.323 7.078 1.00 0.00 H new ATOM 0 HB VAL C 82 55.692 -5.545 8.191 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.259 -7.570 8.307 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.506 -6.203 9.161 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.928 -6.669 7.544 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.689 -7.165 6.310 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.360 -6.266 5.539 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.958 -5.506 5.726 1.00 0.00 H new ATOM 1255 N ARG C 83 55.363 -2.993 9.082 1.00 0.00 N ATOM 1256 CA ARG C 83 55.467 -2.233 10.361 1.00 0.00 C ATOM 1257 C ARG C 83 54.472 -1.069 10.371 1.00 0.00 C ATOM 1258 O ARG C 83 53.934 -0.709 11.399 1.00 0.00 O ATOM 1259 CB ARG C 83 56.904 -1.714 10.396 1.00 0.00 C ATOM 1260 CG ARG C 83 57.843 -2.846 10.820 1.00 0.00 C ATOM 1261 CD ARG C 83 59.287 -2.336 10.837 1.00 0.00 C ATOM 1262 NE ARG C 83 59.244 -1.091 11.654 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.114 -1.165 12.950 1.00 0.00 C ATOM 1264 NH1 ARG C 83 59.847 -2.001 13.632 1.00 0.00 N ATOM 1265 NH2 ARG C 83 58.252 -0.402 13.566 1.00 0.00 N ATOM 0 H ARG C 83 56.235 -3.089 8.562 1.00 0.00 H new ATOM 0 HA ARG C 83 55.236 -2.851 11.228 1.00 0.00 H new ATOM 0 HB2 ARG C 83 57.190 -1.338 9.414 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.984 -0.880 11.093 1.00 0.00 H new ATOM 0 HG2 ARG C 83 57.564 -3.212 11.808 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.751 -3.686 10.131 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.961 -3.073 11.274 1.00 0.00 H new ATOM 0 HD3 ARG C 83 59.647 -2.134 9.828 1.00 0.00 H new ATOM 0 HE ARG C 83 59.316 -0.180 11.200 1.00 0.00 H new ATOM 0 HH11 ARG C 83 60.522 -2.597 13.152 1.00 0.00 H new ATOM 0 HH12 ARG C 83 59.746 -2.059 14.645 1.00 0.00 H new ATOM 0 HH21 ARG C 83 57.679 0.253 13.034 1.00 0.00 H new ATOM 0 HH22 ARG C 83 58.151 -0.461 14.579 1.00 0.00 H new ATOM 1279 N CYS C 84 54.222 -0.478 9.235 1.00 0.00 N ATOM 1280 CA CYS C 84 53.260 0.660 9.184 1.00 0.00 C ATOM 1281 C CYS C 84 51.972 0.230 8.476 1.00 0.00 C ATOM 1282 O CYS C 84 51.287 1.030 7.872 1.00 0.00 O ATOM 1283 CB CYS C 84 53.975 1.749 8.385 1.00 0.00 C ATOM 1284 SG CYS C 84 55.617 2.034 9.090 1.00 0.00 S ATOM 0 H CYS C 84 54.641 -0.733 8.341 1.00 0.00 H new ATOM 0 HA CYS C 84 52.976 1.006 10.178 1.00 0.00 H new ATOM 0 HB2 CYS C 84 54.063 1.450 7.340 1.00 0.00 H new ATOM 0 HB3 CYS C 84 53.394 2.671 8.405 1.00 0.00 H new ATOM 0 HG CYS C 84 56.227 2.959 8.410 1.00 0.00 H new ATOM 1290 N MET C 85 51.640 -1.030 8.547 1.00 0.00 N ATOM 1291 CA MET C 85 50.399 -1.513 7.877 1.00 0.00 C ATOM 1292 C MET C 85 49.196 -1.353 8.812 1.00 0.00 C ATOM 1293 O MET C 85 48.324 -0.538 8.582 1.00 0.00 O ATOM 1294 CB MET C 85 50.657 -2.990 7.584 1.00 0.00 C ATOM 1295 CG MET C 85 50.411 -3.269 6.100 1.00 0.00 C ATOM 1296 SD MET C 85 50.361 -5.056 5.820 1.00 0.00 S ATOM 1297 CE MET C 85 51.535 -5.102 4.444 1.00 0.00 C ATOM 0 H MET C 85 52.174 -1.746 9.040 1.00 0.00 H new ATOM 0 HA MET C 85 50.173 -0.951 6.971 1.00 0.00 H new ATOM 0 HB2 MET C 85 51.682 -3.250 7.848 1.00 0.00 H new ATOM 0 HB3 MET C 85 50.003 -3.612 8.195 1.00 0.00 H new ATOM 0 HG2 MET C 85 49.472 -2.815 5.785 1.00 0.00 H new ATOM 0 HG3 MET C 85 51.201 -2.818 5.499 1.00 0.00 H new ATOM 0 HE1 MET C 85 51.659 -6.131 4.105 1.00 0.00 H new ATOM 0 HE2 MET C 85 51.157 -4.493 3.623 1.00 0.00 H new ATOM 0 HE3 MET C 85 52.497 -4.710 4.774 1.00 0.00 H new ATOM 1411 N SER I 3 54.431 7.152 4.488 1.00 0.00 N ATOM 1412 CA SER I 3 52.947 7.194 4.350 1.00 0.00 C ATOM 1413 C SER I 3 52.491 6.235 3.246 1.00 0.00 C ATOM 1414 O SER I 3 53.293 5.681 2.521 1.00 0.00 O ATOM 1415 CB SER I 3 52.624 8.639 3.973 1.00 0.00 C ATOM 1416 OG SER I 3 51.510 9.085 4.735 1.00 0.00 O ATOM 0 HA SER I 3 52.439 6.889 5.265 1.00 0.00 H new ATOM 0 HB2 SER I 3 53.487 9.278 4.161 1.00 0.00 H new ATOM 0 HB3 SER I 3 52.402 8.708 2.908 1.00 0.00 H new ATOM 0 HG SER I 3 51.301 10.012 4.497 1.00 0.00 H new ATOM 1422 N ALA I 4 51.208 6.036 3.114 1.00 0.00 N ATOM 1423 CA ALA I 4 50.699 5.114 2.057 1.00 0.00 C ATOM 1424 C ALA I 4 49.844 5.890 1.053 1.00 0.00 C ATOM 1425 O ALA I 4 49.942 5.697 -0.143 1.00 0.00 O ATOM 1426 CB ALA I 4 49.850 4.085 2.803 1.00 0.00 C ATOM 0 H ALA I 4 50.489 6.472 3.692 1.00 0.00 H new ATOM 0 HA ALA I 4 51.505 4.643 1.494 1.00 0.00 H new ATOM 0 HB1 ALA I 4 49.438 3.369 2.092 1.00 0.00 H new ATOM 0 HB2 ALA I 4 50.470 3.560 3.530 1.00 0.00 H new ATOM 0 HB3 ALA I 4 49.035 4.592 3.320 1.00 0.00 H new ATOM 1432 N ASP I 5 49.007 6.772 1.530 1.00 0.00 N ATOM 1433 CA ASP I 5 48.148 7.562 0.602 1.00 0.00 C ATOM 1434 C ASP I 5 48.996 8.597 -0.145 1.00 0.00 C ATOM 1435 O ASP I 5 48.803 8.841 -1.319 1.00 0.00 O ATOM 1436 CB ASP I 5 47.122 8.252 1.500 1.00 0.00 C ATOM 1437 CG ASP I 5 45.801 8.408 0.743 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.664 7.791 -0.301 1.00 0.00 O ATOM 1439 OD2 ASP I 5 44.950 9.140 1.219 1.00 0.00 O ATOM 0 H ASP I 5 48.881 6.979 2.521 1.00 0.00 H new ATOM 0 HA ASP I 5 47.669 6.938 -0.153 1.00 0.00 H new ATOM 0 HB2 ASP I 5 46.966 7.668 2.407 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.493 9.229 1.810 1.00 0.00 H new ATOM 1444 N ALA I 6 49.937 9.205 0.526 1.00 0.00 N ATOM 1445 CA ALA I 6 50.796 10.220 -0.149 1.00 0.00 C ATOM 1446 C ALA I 6 51.875 9.529 -0.988 1.00 0.00 C ATOM 1447 O ALA I 6 52.006 9.771 -2.171 1.00 0.00 O ATOM 1448 CB ALA I 6 51.440 11.020 0.984 1.00 0.00 C ATOM 0 H ALA I 6 50.148 9.043 1.511 1.00 0.00 H new ATOM 0 HA ALA I 6 50.222 10.856 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA I 6 52.089 11.789 0.564 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.662 11.491 1.585 1.00 0.00 H new ATOM 0 HB3 ALA I 6 52.029 10.352 1.612 1.00 0.00 H new ATOM 1454 N MET I 7 52.650 8.675 -0.380 1.00 0.00 N ATOM 1455 CA MET I 7 53.724 7.974 -1.138 1.00 0.00 C ATOM 1456 C MET I 7 53.190 7.470 -2.483 1.00 0.00 C ATOM 1457 O MET I 7 53.892 7.459 -3.474 1.00 0.00 O ATOM 1458 CB MET I 7 54.134 6.799 -0.249 1.00 0.00 C ATOM 1459 CG MET I 7 55.384 6.134 -0.827 1.00 0.00 C ATOM 1460 SD MET I 7 54.894 4.762 -1.901 1.00 0.00 S ATOM 1461 CE MET I 7 56.079 5.083 -3.231 1.00 0.00 C ATOM 0 H MET I 7 52.586 8.432 0.609 1.00 0.00 H new ATOM 0 HA MET I 7 54.565 8.631 -1.361 1.00 0.00 H new ATOM 0 HB2 MET I 7 54.330 7.148 0.765 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.321 6.076 -0.186 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.968 6.861 -1.391 1.00 0.00 H new ATOM 0 HG3 MET I 7 56.021 5.770 -0.021 1.00 0.00 H new ATOM 0 HE1 MET I 7 56.371 4.140 -3.693 1.00 0.00 H new ATOM 0 HE2 MET I 7 55.619 5.727 -3.980 1.00 0.00 H new ATOM 0 HE3 MET I 7 56.961 5.575 -2.821 1.00 0.00 H new ATOM 1471 N MET I 8 51.955 7.051 -2.525 1.00 0.00 N ATOM 1472 CA MET I 8 51.383 6.546 -3.808 1.00 0.00 C ATOM 1473 C MET I 8 50.836 7.704 -4.649 1.00 0.00 C ATOM 1474 O MET I 8 51.206 7.880 -5.792 1.00 0.00 O ATOM 1475 CB MET I 8 50.253 5.603 -3.393 1.00 0.00 C ATOM 1476 CG MET I 8 50.834 4.230 -3.052 1.00 0.00 C ATOM 1477 SD MET I 8 51.507 3.470 -4.550 1.00 0.00 S ATOM 1478 CE MET I 8 53.259 3.706 -4.162 1.00 0.00 C ATOM 0 H MET I 8 51.317 7.036 -1.729 1.00 0.00 H new ATOM 0 HA MET I 8 52.132 6.044 -4.420 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.723 6.010 -2.531 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.526 5.512 -4.200 1.00 0.00 H new ATOM 0 HG2 MET I 8 51.616 4.331 -2.300 1.00 0.00 H new ATOM 0 HG3 MET I 8 50.061 3.592 -2.624 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.858 3.518 -5.053 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.422 4.729 -3.824 1.00 0.00 H new ATOM 0 HE3 MET I 8 53.554 3.013 -3.374 1.00 0.00 H new ATOM 1488 N GLN I 9 49.952 8.490 -4.096 1.00 0.00 N ATOM 1489 CA GLN I 9 49.377 9.627 -4.871 1.00 0.00 C ATOM 1490 C GLN I 9 50.470 10.634 -5.244 1.00 0.00 C ATOM 1491 O GLN I 9 50.390 11.305 -6.254 1.00 0.00 O ATOM 1492 CB GLN I 9 48.352 10.271 -3.936 1.00 0.00 C ATOM 1493 CG GLN I 9 49.076 11.010 -2.808 1.00 0.00 C ATOM 1494 CD GLN I 9 49.327 12.459 -3.227 1.00 0.00 C ATOM 1495 OE1 GLN I 9 50.440 12.943 -3.150 1.00 0.00 O ATOM 1496 NE2 GLN I 9 48.332 13.179 -3.670 1.00 0.00 N ATOM 0 H GLN I 9 49.603 8.394 -3.142 1.00 0.00 H new ATOM 0 HA GLN I 9 48.925 9.294 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN I 9 47.723 10.965 -4.493 1.00 0.00 H new ATOM 0 HB3 GLN I 9 47.694 9.508 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN I 9 48.477 10.982 -1.898 1.00 0.00 H new ATOM 0 HG3 GLN I 9 50.021 10.516 -2.583 1.00 0.00 H new ATOM 0 HE21 GLN I 9 47.398 12.774 -3.735 1.00 0.00 H new ATOM 0 HE22 GLN I 9 48.488 14.147 -3.951 1.00 0.00 H new ATOM 1505 N ALA I 10 51.490 10.747 -4.439 1.00 0.00 N ATOM 1506 CA ALA I 10 52.582 11.713 -4.752 1.00 0.00 C ATOM 1507 C ALA I 10 53.597 11.080 -5.705 1.00 0.00 C ATOM 1508 O ALA I 10 54.490 11.737 -6.203 1.00 0.00 O ATOM 1509 CB ALA I 10 53.236 12.017 -3.404 1.00 0.00 C ATOM 0 H ALA I 10 51.615 10.213 -3.579 1.00 0.00 H new ATOM 0 HA ALA I 10 52.208 12.613 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.053 12.724 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.496 12.449 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.625 11.095 -2.972 1.00 0.00 H new ATOM 1515 N LEU I 11 53.472 9.808 -5.959 1.00 0.00 N ATOM 1516 CA LEU I 11 54.439 9.135 -6.873 1.00 0.00 C ATOM 1517 C LEU I 11 53.698 8.367 -7.968 1.00 0.00 C ATOM 1518 O LEU I 11 52.487 8.262 -7.961 1.00 0.00 O ATOM 1519 CB LEU I 11 55.206 8.168 -5.974 1.00 0.00 C ATOM 1520 CG LEU I 11 56.675 8.120 -6.401 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.343 9.462 -6.095 1.00 0.00 C ATOM 1522 CD2 LEU I 11 57.393 7.008 -5.631 1.00 0.00 C ATOM 0 H LEU I 11 52.744 9.205 -5.575 1.00 0.00 H new ATOM 0 HA LEU I 11 55.094 9.845 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU I 11 55.130 8.485 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU I 11 54.767 7.172 -6.036 1.00 0.00 H new ATOM 0 HG LEU I 11 56.734 7.921 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU I 11 58.389 9.426 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU I 11 56.833 10.255 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU I 11 57.284 9.662 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU I 11 58.439 6.973 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.332 7.208 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU I 11 56.920 6.051 -5.849 1.00 0.00 H new ATOM 1534 N LEU I 12 54.422 7.823 -8.906 1.00 0.00 N ATOM 1535 CA LEU I 12 53.773 7.052 -10.002 1.00 0.00 C ATOM 1536 C LEU I 12 52.517 7.774 -10.495 1.00 0.00 C ATOM 1537 O LEU I 12 51.516 7.158 -10.802 1.00 0.00 O ATOM 1538 CB LEU I 12 53.413 5.707 -9.371 1.00 0.00 C ATOM 1539 CG LEU I 12 54.694 4.993 -8.932 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.110 5.491 -7.546 1.00 0.00 C ATOM 1541 CD2 LEU I 12 54.443 3.485 -8.878 1.00 0.00 C ATOM 0 H LEU I 12 55.439 7.880 -8.961 1.00 0.00 H new ATOM 0 HA LEU I 12 54.424 6.937 -10.869 1.00 0.00 H new ATOM 0 HB2 LEU I 12 52.756 5.859 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU I 12 52.867 5.092 -10.086 1.00 0.00 H new ATOM 0 HG LEU I 12 55.490 5.205 -9.646 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.022 4.982 -7.235 1.00 0.00 H new ATOM 0 HD12 LEU I 12 55.289 6.565 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU I 12 54.315 5.281 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU I 12 55.354 2.975 -8.566 1.00 0.00 H new ATOM 0 HD22 LEU I 12 53.646 3.274 -8.164 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.149 3.130 -9.866 1.00 0.00 H new