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: C 80 MET CE :methyl -157:sc= -1.89! (180deg=-2.3!) USER MOD Set 1.2: C 81 MET CE :methyl 178:sc= 0 (180deg=-0.00175) USER MOD Set 2.1: C 69 SER OG : rot -44:sc= -3.35! USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0.00451 USER MOD Single : C 5 TYR OH : rot 150:sc= -0.146 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc=-0.00563 X(o=-0.0056,f=-0.3) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.157 USER MOD Single : C 16 GLN : amide:sc= -2.61! C(o=-2.6!,f=-10!) USER MOD Single : C 17 LYS NZ :NH3+ -146:sc= -0.0659 (180deg=-0.992) USER MOD Single : C 18 ASN : amide:sc= -0.358! K(o=-0.36!,f=-1.3) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= 0.118 USER MOD Single : C 37 SER OG : rot -159:sc= -6.72! USER MOD Single : C 38 THR OG1 : rot -75:sc= -0.151 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 149:sc= -5.74! (180deg=-9.55!) USER MOD Single : C 47 MET CE :methyl -177:sc= -10.4! (180deg=-10.7!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : C 51 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.6!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : C 58 GLN : amide:sc=-0.00955 X(o=-0.0095,f=-0.034) USER MOD Single : C 60 MET CE :methyl -107:sc= -0.399 (180deg=-2.61!) USER MOD Single : C 84 CYS SG : rot -16:sc= 0.459 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 3 SER OG : rot 170:sc= -0.506! USER MOD Single : I 7 MET CE :methyl -122:sc= -5.5! (180deg=-11.2!) USER MOD Single : I 8 MET CE :methyl -126:sc= -9.08! (180deg=-12.1!) USER MOD Single : I 9 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 55.548 -10.924 13.972 1.00 0.00 N ATOM 45 CA ILE C 4 54.305 -11.044 13.157 1.00 0.00 C ATOM 46 C ILE C 4 54.580 -10.642 11.707 1.00 0.00 C ATOM 47 O ILE C 4 54.069 -11.238 10.780 1.00 0.00 O ATOM 48 CB ILE C 4 53.309 -10.076 13.801 1.00 0.00 C ATOM 49 CG1 ILE C 4 51.943 -10.230 13.128 1.00 0.00 C ATOM 50 CG2 ILE C 4 53.803 -8.639 13.626 1.00 0.00 C ATOM 51 CD1 ILE C 4 51.010 -9.117 13.606 1.00 0.00 C ATOM 0 HA ILE C 4 53.925 -12.065 13.137 1.00 0.00 H new ATOM 0 HB ILE C 4 53.221 -10.301 14.864 1.00 0.00 H new ATOM 0 HG12 ILE C 4 52.053 -10.187 12.044 1.00 0.00 H new ATOM 0 HG13 ILE C 4 51.516 -11.204 13.366 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.093 -7.952 14.085 1.00 0.00 H new ATOM 0 HG22 ILE C 4 54.776 -8.528 14.104 1.00 0.00 H new ATOM 0 HG23 ILE C 4 53.893 -8.412 12.564 1.00 0.00 H new ATOM 0 HD11 ILE C 4 50.037 -9.227 13.127 1.00 0.00 H new ATOM 0 HD12 ILE C 4 50.891 -9.181 14.688 1.00 0.00 H new ATOM 0 HD13 ILE C 4 51.436 -8.148 13.345 1.00 0.00 H new ATOM 63 N TYR C 5 55.386 -9.636 11.501 1.00 0.00 N ATOM 64 CA TYR C 5 55.695 -9.200 10.108 1.00 0.00 C ATOM 65 C TYR C 5 56.232 -10.379 9.294 1.00 0.00 C ATOM 66 O TYR C 5 55.720 -10.705 8.242 1.00 0.00 O ATOM 67 CB TYR C 5 56.769 -8.124 10.258 1.00 0.00 C ATOM 68 CG TYR C 5 56.256 -7.013 11.144 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.063 -6.354 10.821 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.974 -6.642 12.286 1.00 0.00 C ATOM 71 CE1 TYR C 5 54.590 -5.322 11.641 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.502 -5.611 13.105 1.00 0.00 C ATOM 73 CZ TYR C 5 55.310 -4.950 12.784 1.00 0.00 C ATOM 74 OH TYR C 5 54.844 -3.933 13.592 1.00 0.00 O ATOM 0 H TYR C 5 55.844 -9.097 12.236 1.00 0.00 H new ATOM 0 HA TYR C 5 54.813 -8.827 9.587 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.673 -8.556 10.687 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.039 -7.727 9.279 1.00 0.00 H new ATOM 0 HD1 TYR C 5 54.508 -6.642 9.940 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.893 -7.152 12.535 1.00 0.00 H new ATOM 0 HE1 TYR C 5 53.670 -4.813 11.392 1.00 0.00 H new ATOM 0 HE2 TYR C 5 57.057 -5.324 13.986 1.00 0.00 H new ATOM 0 HH TYR C 5 55.126 -4.095 14.517 1.00 0.00 H new ATOM 84 N LYS C 6 57.265 -11.018 9.773 1.00 0.00 N ATOM 85 CA LYS C 6 57.840 -12.175 9.030 1.00 0.00 C ATOM 86 C LYS C 6 56.720 -13.058 8.475 1.00 0.00 C ATOM 87 O LYS C 6 56.861 -13.680 7.441 1.00 0.00 O ATOM 88 CB LYS C 6 58.661 -12.941 10.068 1.00 0.00 C ATOM 89 CG LYS C 6 60.000 -12.232 10.284 1.00 0.00 C ATOM 90 CD LYS C 6 60.782 -12.942 11.391 1.00 0.00 C ATOM 91 CE LYS C 6 60.224 -12.532 12.755 1.00 0.00 C ATOM 92 NZ LYS C 6 61.424 -12.246 13.589 1.00 0.00 N ATOM 0 H LYS C 6 57.736 -10.788 10.648 1.00 0.00 H new ATOM 0 HA LYS C 6 58.446 -11.860 8.180 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.113 -13.001 11.008 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.829 -13.964 9.731 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.577 -12.232 9.359 1.00 0.00 H new ATOM 0 HG3 LYS C 6 59.832 -11.190 10.554 1.00 0.00 H new ATOM 0 HD2 LYS C 6 60.709 -14.022 11.266 1.00 0.00 H new ATOM 0 HD3 LYS C 6 61.839 -12.684 11.327 1.00 0.00 H new ATOM 0 HE2 LYS C 6 59.582 -11.655 12.672 1.00 0.00 H new ATOM 0 HE3 LYS C 6 59.621 -13.328 13.191 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 61.124 -11.957 14.542 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.012 -13.101 13.655 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 61.975 -11.479 13.153 1.00 0.00 H new ATOM 106 N ALA C 7 55.605 -13.115 9.152 1.00 0.00 N ATOM 107 CA ALA C 7 54.476 -13.956 8.660 1.00 0.00 C ATOM 108 C ALA C 7 53.704 -13.213 7.569 1.00 0.00 C ATOM 109 O ALA C 7 53.395 -13.761 6.529 1.00 0.00 O ATOM 110 CB ALA C 7 53.589 -14.186 9.883 1.00 0.00 C ATOM 0 H ALA C 7 55.427 -12.616 10.024 1.00 0.00 H new ATOM 0 HA ALA C 7 54.819 -14.895 8.225 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.733 -14.799 9.601 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.162 -14.696 10.657 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.239 -13.227 10.264 1.00 0.00 H new ATOM 116 N ALA C 8 53.391 -11.965 7.794 1.00 0.00 N ATOM 117 CA ALA C 8 52.641 -11.190 6.766 1.00 0.00 C ATOM 118 C ALA C 8 53.414 -11.184 5.445 1.00 0.00 C ATOM 119 O ALA C 8 52.838 -11.238 4.376 1.00 0.00 O ATOM 120 CB ALA C 8 52.534 -9.775 7.333 1.00 0.00 C ATOM 0 H ALA C 8 53.622 -11.450 8.644 1.00 0.00 H new ATOM 0 HA ALA C 8 51.660 -11.618 6.559 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.992 -9.142 6.631 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.000 -9.803 8.283 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.533 -9.370 7.491 1.00 0.00 H new ATOM 126 N VAL C 9 54.718 -11.122 5.508 1.00 0.00 N ATOM 127 CA VAL C 9 55.527 -11.117 4.255 1.00 0.00 C ATOM 128 C VAL C 9 55.274 -12.402 3.462 1.00 0.00 C ATOM 129 O VAL C 9 54.988 -12.368 2.281 1.00 0.00 O ATOM 130 CB VAL C 9 56.981 -11.051 4.721 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.888 -10.736 3.530 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.130 -9.953 5.777 1.00 0.00 C ATOM 0 H VAL C 9 55.257 -11.075 6.373 1.00 0.00 H new ATOM 0 HA VAL C 9 55.273 -10.283 3.601 1.00 0.00 H new ATOM 0 HB VAL C 9 57.266 -12.011 5.150 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.924 -10.689 3.864 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.784 -11.517 2.777 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.602 -9.777 3.099 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.167 -9.906 6.109 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.843 -8.993 5.347 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.486 -10.177 6.628 1.00 0.00 H new ATOM 142 N GLU C 10 55.373 -13.534 4.103 1.00 0.00 N ATOM 143 CA GLU C 10 55.134 -14.821 3.387 1.00 0.00 C ATOM 144 C GLU C 10 53.663 -14.928 2.978 1.00 0.00 C ATOM 145 O GLU C 10 53.311 -15.664 2.078 1.00 0.00 O ATOM 146 CB GLU C 10 55.491 -15.909 4.400 1.00 0.00 C ATOM 147 CG GLU C 10 56.324 -16.992 3.712 1.00 0.00 C ATOM 148 CD GLU C 10 56.786 -18.016 4.751 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.980 -18.846 5.136 1.00 0.00 O ATOM 150 OE2 GLU C 10 57.939 -17.952 5.144 1.00 0.00 O ATOM 0 H GLU C 10 55.609 -13.624 5.091 1.00 0.00 H new ATOM 0 HA GLU C 10 55.725 -14.905 2.475 1.00 0.00 H new ATOM 0 HB2 GLU C 10 56.050 -15.478 5.231 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.583 -16.344 4.818 1.00 0.00 H new ATOM 0 HG2 GLU C 10 55.734 -17.483 2.939 1.00 0.00 H new ATOM 0 HG3 GLU C 10 57.186 -16.544 3.218 1.00 0.00 H new ATOM 157 N GLN C 11 52.803 -14.198 3.633 1.00 0.00 N ATOM 158 CA GLN C 11 51.355 -14.255 3.284 1.00 0.00 C ATOM 159 C GLN C 11 51.032 -13.217 2.205 1.00 0.00 C ATOM 160 O GLN C 11 49.891 -12.847 2.008 1.00 0.00 O ATOM 161 CB GLN C 11 50.622 -13.926 4.584 1.00 0.00 C ATOM 162 CG GLN C 11 49.992 -15.198 5.155 1.00 0.00 C ATOM 163 CD GLN C 11 50.544 -15.457 6.558 1.00 0.00 C ATOM 164 OE1 GLN C 11 51.656 -15.923 6.709 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.809 -15.170 7.598 1.00 0.00 N ATOM 0 H GLN C 11 53.040 -13.564 4.396 1.00 0.00 H new ATOM 0 HA GLN C 11 51.062 -15.227 2.887 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.316 -13.497 5.306 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.851 -13.178 4.399 1.00 0.00 H new ATOM 0 HG2 GLN C 11 48.908 -15.094 5.193 1.00 0.00 H new ATOM 0 HG3 GLN C 11 50.208 -16.046 4.506 1.00 0.00 H new ATOM 0 HE21 GLN C 11 48.876 -14.779 7.471 1.00 0.00 H new ATOM 0 HE22 GLN C 11 50.168 -15.337 8.538 1.00 0.00 H new ATOM 174 N LEU C 12 52.028 -12.745 1.505 1.00 0.00 N ATOM 175 CA LEU C 12 51.778 -11.733 0.440 1.00 0.00 C ATOM 176 C LEU C 12 51.338 -12.425 -0.853 1.00 0.00 C ATOM 177 O LEU C 12 52.115 -13.090 -1.508 1.00 0.00 O ATOM 178 CB LEU C 12 53.120 -11.027 0.240 1.00 0.00 C ATOM 179 CG LEU C 12 53.307 -9.963 1.323 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.652 -9.261 1.123 1.00 0.00 C ATOM 181 CD2 LEU C 12 52.178 -8.934 1.228 1.00 0.00 C ATOM 0 H LEU C 12 53.004 -13.017 1.625 1.00 0.00 H new ATOM 0 HA LEU C 12 50.987 -11.034 0.712 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.933 -11.751 0.283 1.00 0.00 H new ATOM 0 HB3 LEU C 12 53.156 -10.566 -0.747 1.00 0.00 H new ATOM 0 HG LEU C 12 53.286 -10.437 2.304 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.785 -8.503 1.895 1.00 0.00 H new ATOM 0 HD12 LEU C 12 55.458 -9.992 1.190 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.673 -8.787 0.142 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.311 -8.176 2.000 1.00 0.00 H new ATOM 0 HD22 LEU C 12 52.199 -8.460 0.246 1.00 0.00 H new ATOM 0 HD23 LEU C 12 51.219 -9.432 1.370 1.00 0.00 H new ATOM 193 N THR C 13 50.097 -12.272 -1.226 1.00 0.00 N ATOM 194 CA THR C 13 49.610 -12.920 -2.478 1.00 0.00 C ATOM 195 C THR C 13 50.425 -12.428 -3.677 1.00 0.00 C ATOM 196 O THR C 13 50.885 -11.304 -3.705 1.00 0.00 O ATOM 197 CB THR C 13 48.149 -12.483 -2.607 1.00 0.00 C ATOM 198 OG1 THR C 13 48.087 -11.065 -2.676 1.00 0.00 O ATOM 199 CG2 THR C 13 47.357 -12.972 -1.395 1.00 0.00 C ATOM 0 H THR C 13 49.399 -11.727 -0.719 1.00 0.00 H new ATOM 0 HA THR C 13 49.710 -14.005 -2.449 1.00 0.00 H new ATOM 0 HB THR C 13 47.720 -12.912 -3.513 1.00 0.00 H new ATOM 0 HG1 THR C 13 47.153 -10.782 -2.760 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.317 -12.659 -1.490 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.406 -14.060 -1.343 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.783 -12.546 -0.486 1.00 0.00 H new ATOM 207 N GLU C 14 50.608 -13.259 -4.667 1.00 0.00 N ATOM 208 CA GLU C 14 51.394 -12.832 -5.860 1.00 0.00 C ATOM 209 C GLU C 14 50.833 -11.521 -6.416 1.00 0.00 C ATOM 210 O GLU C 14 51.498 -10.805 -7.137 1.00 0.00 O ATOM 211 CB GLU C 14 51.222 -13.963 -6.875 1.00 0.00 C ATOM 212 CG GLU C 14 49.732 -14.238 -7.083 1.00 0.00 C ATOM 213 CD GLU C 14 49.523 -15.727 -7.362 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.683 -16.125 -8.503 1.00 0.00 O ATOM 215 OE2 GLU C 14 49.204 -16.445 -6.427 1.00 0.00 O ATOM 0 H GLU C 14 50.248 -14.213 -4.702 1.00 0.00 H new ATOM 0 HA GLU C 14 52.443 -12.655 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU C 14 51.688 -13.691 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU C 14 51.723 -14.864 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU C 14 49.169 -13.940 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU C 14 49.354 -13.644 -7.916 1.00 0.00 H new ATOM 222 N GLU C 15 49.612 -11.202 -6.083 1.00 0.00 N ATOM 223 CA GLU C 15 49.005 -9.937 -6.589 1.00 0.00 C ATOM 224 C GLU C 15 49.490 -8.751 -5.751 1.00 0.00 C ATOM 225 O GLU C 15 50.142 -7.853 -6.247 1.00 0.00 O ATOM 226 CB GLU C 15 47.498 -10.127 -6.423 1.00 0.00 C ATOM 227 CG GLU C 15 46.767 -9.471 -7.596 1.00 0.00 C ATOM 228 CD GLU C 15 45.784 -10.469 -8.208 1.00 0.00 C ATOM 229 OE1 GLU C 15 45.190 -11.223 -7.455 1.00 0.00 O ATOM 230 OE2 GLU C 15 45.642 -10.463 -9.420 1.00 0.00 O ATOM 0 H GLU C 15 49.008 -11.763 -5.482 1.00 0.00 H new ATOM 0 HA GLU C 15 49.278 -9.731 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU C 15 47.258 -11.189 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU C 15 47.167 -9.686 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.235 -8.583 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU C 15 47.485 -9.144 -8.348 1.00 0.00 H new ATOM 237 N GLN C 16 49.178 -8.742 -4.484 1.00 0.00 N ATOM 238 CA GLN C 16 49.621 -7.616 -3.614 1.00 0.00 C ATOM 239 C GLN C 16 51.136 -7.422 -3.731 1.00 0.00 C ATOM 240 O GLN C 16 51.635 -6.314 -3.691 1.00 0.00 O ATOM 241 CB GLN C 16 49.243 -8.041 -2.194 1.00 0.00 C ATOM 242 CG GLN C 16 49.994 -7.173 -1.182 1.00 0.00 C ATOM 243 CD GLN C 16 49.279 -7.226 0.169 1.00 0.00 C ATOM 244 OE1 GLN C 16 49.675 -7.964 1.051 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.235 -6.471 0.371 1.00 0.00 N ATOM 0 H GLN C 16 48.635 -9.466 -4.013 1.00 0.00 H new ATOM 0 HA GLN C 16 49.157 -6.670 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.168 -7.940 -2.047 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.489 -9.092 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN C 16 51.020 -7.525 -1.076 1.00 0.00 H new ATOM 0 HG3 GLN C 16 50.045 -6.144 -1.538 1.00 0.00 H new ATOM 0 HE21 GLN C 16 47.903 -5.852 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN C 16 47.751 -6.500 1.268 1.00 0.00 H new ATOM 254 N LYS C 17 51.870 -8.490 -3.878 1.00 0.00 N ATOM 255 CA LYS C 17 53.348 -8.365 -4.000 1.00 0.00 C ATOM 256 C LYS C 17 53.705 -7.723 -5.345 1.00 0.00 C ATOM 257 O LYS C 17 54.701 -7.038 -5.473 1.00 0.00 O ATOM 258 CB LYS C 17 53.869 -9.806 -3.910 1.00 0.00 C ATOM 259 CG LYS C 17 55.206 -9.933 -4.647 1.00 0.00 C ATOM 260 CD LYS C 17 54.940 -10.110 -6.142 1.00 0.00 C ATOM 261 CE LYS C 17 55.679 -11.350 -6.652 1.00 0.00 C ATOM 262 NZ LYS C 17 57.117 -11.093 -6.360 1.00 0.00 N ATOM 0 H LYS C 17 51.510 -9.443 -3.919 1.00 0.00 H new ATOM 0 HA LYS C 17 53.788 -7.733 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.993 -10.091 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.140 -10.491 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.815 -9.045 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.768 -10.784 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.870 -10.213 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.272 -9.227 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.330 -12.252 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.514 -11.496 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 57.704 -11.516 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 57.286 -10.067 -6.326 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 57.366 -11.515 -5.443 1.00 0.00 H new ATOM 276 N ASN C 18 52.898 -7.938 -6.349 1.00 0.00 N ATOM 277 CA ASN C 18 53.195 -7.335 -7.679 1.00 0.00 C ATOM 278 C ASN C 18 53.052 -5.814 -7.606 1.00 0.00 C ATOM 279 O ASN C 18 53.729 -5.083 -8.302 1.00 0.00 O ATOM 280 CB ASN C 18 52.153 -7.930 -8.629 1.00 0.00 C ATOM 281 CG ASN C 18 52.790 -9.063 -9.439 1.00 0.00 C ATOM 282 OD1 ASN C 18 53.790 -8.865 -10.098 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.246 -10.249 -9.418 1.00 0.00 N ATOM 0 H ASN C 18 52.050 -8.503 -6.306 1.00 0.00 H new ATOM 0 HA ASN C 18 54.211 -7.545 -8.012 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.302 -8.308 -8.062 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.773 -7.159 -9.299 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.661 -11.010 -9.955 1.00 0.00 H new ATOM 0 HD22 ASN C 18 51.406 -10.415 -8.864 1.00 0.00 H new ATOM 290 N GLU C 19 52.179 -5.331 -6.764 1.00 0.00 N ATOM 291 CA GLU C 19 51.997 -3.857 -6.641 1.00 0.00 C ATOM 292 C GLU C 19 53.216 -3.234 -5.957 1.00 0.00 C ATOM 293 O GLU C 19 53.761 -2.248 -6.413 1.00 0.00 O ATOM 294 CB GLU C 19 50.749 -3.681 -5.775 1.00 0.00 C ATOM 295 CG GLU C 19 49.505 -3.679 -6.665 1.00 0.00 C ATOM 296 CD GLU C 19 48.269 -3.983 -5.814 1.00 0.00 C ATOM 297 OE1 GLU C 19 47.984 -3.205 -4.919 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.629 -4.989 -6.074 1.00 0.00 O ATOM 0 H GLU C 19 51.584 -5.894 -6.156 1.00 0.00 H new ATOM 0 HA GLU C 19 51.890 -3.371 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.684 -4.487 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU C 19 50.810 -2.747 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.395 -2.710 -7.152 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.608 -4.423 -7.455 1.00 0.00 H new ATOM 305 N PHE C 20 53.648 -3.803 -4.865 1.00 0.00 N ATOM 306 CA PHE C 20 54.832 -3.244 -4.152 1.00 0.00 C ATOM 307 C PHE C 20 56.065 -3.301 -5.056 1.00 0.00 C ATOM 308 O PHE C 20 56.874 -2.394 -5.076 1.00 0.00 O ATOM 309 CB PHE C 20 55.020 -4.145 -2.930 1.00 0.00 C ATOM 310 CG PHE C 20 53.986 -3.797 -1.884 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.746 -2.457 -1.559 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.268 -4.814 -1.242 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.788 -2.132 -0.592 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.310 -4.489 -0.273 1.00 0.00 C ATOM 315 CZ PHE C 20 52.070 -3.148 0.051 1.00 0.00 C ATOM 0 H PHE C 20 53.233 -4.630 -4.436 1.00 0.00 H new ATOM 0 HA PHE C 20 54.692 -2.200 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE C 20 54.923 -5.192 -3.218 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.023 -4.018 -2.522 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.300 -1.674 -2.055 1.00 0.00 H new ATOM 0 HD2 PHE C 20 53.453 -5.848 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE C 20 52.602 -1.098 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE C 20 51.757 -5.272 0.224 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.331 -2.897 0.797 1.00 0.00 H new ATOM 325 N LYS C 21 56.216 -4.358 -5.806 1.00 0.00 N ATOM 326 CA LYS C 21 57.397 -4.470 -6.710 1.00 0.00 C ATOM 327 C LYS C 21 57.649 -3.137 -7.418 1.00 0.00 C ATOM 328 O LYS C 21 58.769 -2.676 -7.513 1.00 0.00 O ATOM 329 CB LYS C 21 57.020 -5.554 -7.719 1.00 0.00 C ATOM 330 CG LYS C 21 57.885 -6.793 -7.483 1.00 0.00 C ATOM 331 CD LYS C 21 58.886 -6.944 -8.629 1.00 0.00 C ATOM 332 CE LYS C 21 59.968 -7.951 -8.234 1.00 0.00 C ATOM 333 NZ LYS C 21 59.681 -9.161 -9.055 1.00 0.00 N ATOM 0 H LYS C 21 55.573 -5.149 -5.832 1.00 0.00 H new ATOM 0 HA LYS C 21 58.311 -4.718 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS C 21 55.965 -5.809 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.163 -5.186 -8.735 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.414 -6.705 -6.534 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.256 -7.681 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS C 21 58.374 -7.280 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.339 -5.980 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.965 -7.561 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.928 -8.177 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 60.381 -9.900 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.728 -9.513 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 59.733 -8.916 -10.064 1.00 0.00 H new ATOM 347 N ALA C 22 56.616 -2.509 -7.911 1.00 0.00 N ATOM 348 CA ALA C 22 56.804 -1.204 -8.606 1.00 0.00 C ATOM 349 C ALA C 22 57.586 -0.244 -7.707 1.00 0.00 C ATOM 350 O ALA C 22 58.684 0.166 -8.025 1.00 0.00 O ATOM 351 CB ALA C 22 55.391 -0.676 -8.856 1.00 0.00 C ATOM 0 H ALA C 22 55.653 -2.842 -7.863 1.00 0.00 H new ATOM 0 HA ALA C 22 57.366 -1.305 -9.534 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.447 0.286 -9.366 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.842 -1.385 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.875 -0.552 -7.904 1.00 0.00 H new ATOM 357 N ALA C 23 57.029 0.115 -6.581 1.00 0.00 N ATOM 358 CA ALA C 23 57.745 1.045 -5.662 1.00 0.00 C ATOM 359 C ALA C 23 59.153 0.518 -5.376 1.00 0.00 C ATOM 360 O ALA C 23 60.129 1.234 -5.480 1.00 0.00 O ATOM 361 CB ALA C 23 56.908 1.063 -4.381 1.00 0.00 C ATOM 0 H ALA C 23 56.112 -0.195 -6.259 1.00 0.00 H new ATOM 0 HA ALA C 23 57.857 2.043 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.372 1.728 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA C 23 55.903 1.418 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA C 23 56.852 0.056 -3.969 1.00 0.00 H new ATOM 367 N PHE C 24 59.267 -0.733 -5.020 1.00 0.00 N ATOM 368 CA PHE C 24 60.612 -1.306 -4.734 1.00 0.00 C ATOM 369 C PHE C 24 61.536 -1.098 -5.937 1.00 0.00 C ATOM 370 O PHE C 24 62.725 -0.893 -5.793 1.00 0.00 O ATOM 371 CB PHE C 24 60.367 -2.796 -4.494 1.00 0.00 C ATOM 372 CG PHE C 24 61.678 -3.542 -4.562 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.578 -3.472 -3.493 1.00 0.00 C ATOM 374 CD2 PHE C 24 61.993 -4.302 -5.694 1.00 0.00 C ATOM 375 CE1 PHE C 24 63.795 -4.162 -3.556 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.209 -4.992 -5.757 1.00 0.00 C ATOM 377 CZ PHE C 24 64.110 -4.923 -4.688 1.00 0.00 C ATOM 0 H PHE C 24 58.487 -1.382 -4.915 1.00 0.00 H new ATOM 0 HA PHE C 24 61.092 -0.832 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE C 24 59.902 -2.946 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE C 24 59.676 -3.186 -5.241 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.334 -2.886 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.298 -4.356 -6.519 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.490 -4.107 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.452 -5.578 -6.631 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.048 -5.457 -4.736 1.00 0.00 H new ATOM 387 N ASP C 25 60.997 -1.148 -7.125 1.00 0.00 N ATOM 388 CA ASP C 25 61.841 -0.953 -8.338 1.00 0.00 C ATOM 389 C ASP C 25 62.338 0.494 -8.407 1.00 0.00 C ATOM 390 O ASP C 25 63.518 0.750 -8.536 1.00 0.00 O ATOM 391 CB ASP C 25 60.919 -1.261 -9.518 1.00 0.00 C ATOM 392 CG ASP C 25 61.606 -0.854 -10.822 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.322 -1.676 -11.373 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.406 0.271 -11.250 1.00 0.00 O ATOM 0 H ASP C 25 60.008 -1.316 -7.308 1.00 0.00 H new ATOM 0 HA ASP C 25 62.723 -1.593 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.679 -2.324 -9.538 1.00 0.00 H new ATOM 0 HB3 ASP C 25 59.977 -0.723 -9.407 1.00 0.00 H new ATOM 399 N ILE C 26 61.445 1.443 -8.318 1.00 0.00 N ATOM 400 CA ILE C 26 61.869 2.871 -8.374 1.00 0.00 C ATOM 401 C ILE C 26 62.786 3.190 -7.191 1.00 0.00 C ATOM 402 O ILE C 26 63.611 4.080 -7.253 1.00 0.00 O ATOM 403 CB ILE C 26 60.569 3.674 -8.286 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.777 3.499 -9.584 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.888 5.159 -8.087 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.837 2.300 -9.452 1.00 0.00 C ATOM 0 H ILE C 26 60.442 1.291 -8.209 1.00 0.00 H new ATOM 0 HA ILE C 26 62.427 3.106 -9.280 1.00 0.00 H new ATOM 0 HB ILE C 26 59.981 3.314 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.204 4.402 -9.797 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.459 3.349 -10.421 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.959 5.726 -8.025 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.454 5.289 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.478 5.520 -8.929 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.273 2.176 -10.377 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.420 1.400 -9.259 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.146 2.468 -8.626 1.00 0.00 H new ATOM 418 N PHE C 27 62.646 2.469 -6.112 1.00 0.00 N ATOM 419 CA PHE C 27 63.508 2.727 -4.924 1.00 0.00 C ATOM 420 C PHE C 27 64.963 2.370 -5.239 1.00 0.00 C ATOM 421 O PHE C 27 65.885 2.931 -4.681 1.00 0.00 O ATOM 422 CB PHE C 27 62.956 1.814 -3.829 1.00 0.00 C ATOM 423 CG PHE C 27 62.164 2.634 -2.840 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.482 3.780 -3.266 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.114 2.251 -1.494 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.749 4.542 -2.349 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.381 3.011 -0.576 1.00 0.00 C ATOM 428 CZ PHE C 27 60.698 4.157 -1.003 1.00 0.00 C ATOM 0 H PHE C 27 61.971 1.712 -6.002 1.00 0.00 H new ATOM 0 HA PHE C 27 63.497 3.775 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.322 1.044 -4.269 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.774 1.303 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.522 4.076 -4.304 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.642 1.368 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE C 27 60.223 5.426 -2.679 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.342 2.714 0.462 1.00 0.00 H new ATOM 0 HZ PHE C 27 60.132 4.744 -0.295 1.00 0.00 H new ATOM 438 N VAL C 28 65.177 1.440 -6.130 1.00 0.00 N ATOM 439 CA VAL C 28 66.572 1.048 -6.481 1.00 0.00 C ATOM 440 C VAL C 28 66.941 1.592 -7.863 1.00 0.00 C ATOM 441 O VAL C 28 67.784 1.049 -8.550 1.00 0.00 O ATOM 442 CB VAL C 28 66.563 -0.480 -6.491 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.930 -0.997 -5.198 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.751 -0.978 -7.688 1.00 0.00 C ATOM 0 H VAL C 28 64.446 0.935 -6.630 1.00 0.00 H new ATOM 0 HA VAL C 28 67.303 1.446 -5.777 1.00 0.00 H new ATOM 0 HB VAL C 28 67.587 -0.847 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.924 -2.087 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.507 -0.644 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.907 -0.629 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.745 -2.068 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.728 -0.610 -7.612 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.201 -0.612 -8.611 1.00 0.00 H new ATOM 454 N LEU C 29 66.315 2.660 -8.276 1.00 0.00 N ATOM 455 CA LEU C 29 66.628 3.238 -9.616 1.00 0.00 C ATOM 456 C LEU C 29 68.123 3.548 -9.728 1.00 0.00 C ATOM 457 O LEU C 29 68.686 3.552 -10.804 1.00 0.00 O ATOM 458 CB LEU C 29 65.807 4.526 -9.690 1.00 0.00 C ATOM 459 CG LEU C 29 64.484 4.251 -10.407 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.499 5.381 -10.110 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.730 4.172 -11.915 1.00 0.00 C ATOM 0 H LEU C 29 65.601 3.158 -7.745 1.00 0.00 H new ATOM 0 HA LEU C 29 66.388 2.551 -10.427 1.00 0.00 H new ATOM 0 HB2 LEU C 29 65.616 4.906 -8.686 1.00 0.00 H new ATOM 0 HB3 LEU C 29 66.367 5.296 -10.221 1.00 0.00 H new ATOM 0 HG LEU C 29 64.069 3.306 -10.056 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.556 5.185 -10.621 1.00 0.00 H new ATOM 0 HD12 LEU C 29 63.325 5.439 -9.036 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.913 6.326 -10.462 1.00 0.00 H new ATOM 0 HD21 LEU C 29 63.788 3.976 -12.428 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.144 5.117 -12.266 1.00 0.00 H new ATOM 0 HD23 LEU C 29 65.433 3.366 -12.127 1.00 0.00 H new ATOM 473 N GLY C 30 68.771 3.810 -8.625 1.00 0.00 N ATOM 474 CA GLY C 30 70.228 4.121 -8.675 1.00 0.00 C ATOM 475 C GLY C 30 71.004 3.079 -7.869 1.00 0.00 C ATOM 476 O GLY C 30 72.025 3.372 -7.279 1.00 0.00 O ATOM 0 H GLY C 30 68.355 3.822 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.573 4.127 -9.709 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.411 5.117 -8.272 1.00 0.00 H new ATOM 480 N ALA C 31 70.530 1.864 -7.840 1.00 0.00 N ATOM 481 CA ALA C 31 71.246 0.804 -7.072 1.00 0.00 C ATOM 482 C ALA C 31 72.159 0.005 -8.007 1.00 0.00 C ATOM 483 O ALA C 31 72.443 0.417 -9.113 1.00 0.00 O ATOM 484 CB ALA C 31 70.143 -0.088 -6.505 1.00 0.00 C ATOM 0 H ALA C 31 69.680 1.559 -8.313 1.00 0.00 H new ATOM 0 HA ALA C 31 71.878 1.216 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.590 -0.895 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.491 0.503 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.559 -0.510 -7.323 1.00 0.00 H new ATOM 490 N GLU C 32 72.619 -1.135 -7.572 1.00 0.00 N ATOM 491 CA GLU C 32 73.510 -1.956 -8.439 1.00 0.00 C ATOM 492 C GLU C 32 73.063 -3.420 -8.421 1.00 0.00 C ATOM 493 O GLU C 32 73.015 -4.077 -9.442 1.00 0.00 O ATOM 494 CB GLU C 32 74.903 -1.813 -7.827 1.00 0.00 C ATOM 495 CG GLU C 32 75.696 -0.763 -8.608 1.00 0.00 C ATOM 496 CD GLU C 32 76.839 -1.443 -9.365 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.674 -2.049 -8.715 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.859 -1.346 -10.580 1.00 0.00 O ATOM 0 H GLU C 32 72.417 -1.533 -6.655 1.00 0.00 H new ATOM 0 HA GLU C 32 73.488 -1.630 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU C 32 74.824 -1.520 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.423 -2.770 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.041 -0.244 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.094 -0.011 -7.926 1.00 0.00 H new ATOM 505 N ASP C 33 72.735 -3.936 -7.268 1.00 0.00 N ATOM 506 CA ASP C 33 72.291 -5.356 -7.187 1.00 0.00 C ATOM 507 C ASP C 33 70.801 -5.425 -6.842 1.00 0.00 C ATOM 508 O ASP C 33 70.278 -6.470 -6.511 1.00 0.00 O ATOM 509 CB ASP C 33 73.128 -5.971 -6.065 1.00 0.00 C ATOM 510 CG ASP C 33 73.670 -7.329 -6.517 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.898 -8.101 -7.063 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.846 -7.573 -6.310 1.00 0.00 O ATOM 0 H ASP C 33 72.755 -3.436 -6.379 1.00 0.00 H new ATOM 0 HA ASP C 33 72.424 -5.884 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.952 -5.307 -5.806 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.521 -6.090 -5.168 1.00 0.00 H new ATOM 517 N GLY C 34 70.113 -4.318 -6.915 1.00 0.00 N ATOM 518 CA GLY C 34 68.659 -4.322 -6.589 1.00 0.00 C ATOM 519 C GLY C 34 68.470 -4.013 -5.104 1.00 0.00 C ATOM 520 O GLY C 34 67.536 -4.473 -4.478 1.00 0.00 O ATOM 0 H GLY C 34 70.495 -3.412 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.137 -3.581 -7.195 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.224 -5.293 -6.828 1.00 0.00 H new ATOM 524 N CYS C 35 69.352 -3.237 -4.534 1.00 0.00 N ATOM 525 CA CYS C 35 69.225 -2.899 -3.087 1.00 0.00 C ATOM 526 C CYS C 35 69.011 -1.392 -2.915 1.00 0.00 C ATOM 527 O CYS C 35 69.210 -0.619 -3.831 1.00 0.00 O ATOM 528 CB CYS C 35 70.553 -3.327 -2.465 1.00 0.00 C ATOM 529 SG CYS C 35 71.915 -2.482 -3.307 1.00 0.00 S ATOM 0 H CYS C 35 70.155 -2.823 -5.008 1.00 0.00 H new ATOM 0 HA CYS C 35 68.376 -3.396 -2.617 1.00 0.00 H new ATOM 0 HB2 CYS C 35 70.563 -3.086 -1.402 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.674 -4.407 -2.548 1.00 0.00 H new ATOM 0 HG CYS C 35 73.045 -2.845 -2.776 1.00 0.00 H new ATOM 535 N ILE C 36 68.607 -0.969 -1.748 1.00 0.00 N ATOM 536 CA ILE C 36 68.382 0.487 -1.521 1.00 0.00 C ATOM 537 C ILE C 36 69.264 0.989 -0.374 1.00 0.00 C ATOM 538 O ILE C 36 69.593 0.258 0.539 1.00 0.00 O ATOM 539 CB ILE C 36 66.904 0.610 -1.153 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.047 0.067 -2.299 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.558 2.081 -0.912 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.921 -0.798 -1.730 1.00 0.00 C ATOM 0 H ILE C 36 68.423 -1.568 -0.943 1.00 0.00 H new ATOM 0 HA ILE C 36 68.634 1.083 -2.398 1.00 0.00 H new ATOM 0 HB ILE C 36 66.707 0.037 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.630 0.891 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.662 -0.521 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.504 2.169 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.168 2.469 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.755 2.654 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.311 -1.184 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.349 -1.630 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.300 -0.196 -1.066 1.00 0.00 H new ATOM 554 N SER C 37 69.646 2.234 -0.419 1.00 0.00 N ATOM 555 CA SER C 37 70.507 2.800 0.660 1.00 0.00 C ATOM 556 C SER C 37 70.360 4.318 0.680 1.00 0.00 C ATOM 557 O SER C 37 71.314 5.044 0.861 1.00 0.00 O ATOM 558 CB SER C 37 71.923 2.419 0.269 1.00 0.00 C ATOM 559 OG SER C 37 72.481 1.576 1.268 1.00 0.00 O ATOM 0 H SER C 37 69.398 2.889 -1.161 1.00 0.00 H new ATOM 0 HA SER C 37 70.242 2.427 1.649 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.920 1.907 -0.693 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.533 3.315 0.152 1.00 0.00 H new ATOM 0 HG SER C 37 73.459 1.598 1.206 1.00 0.00 H new ATOM 565 N THR C 38 69.165 4.781 0.471 1.00 0.00 N ATOM 566 CA THR C 38 68.885 6.253 0.441 1.00 0.00 C ATOM 567 C THR C 38 69.423 6.854 -0.857 1.00 0.00 C ATOM 568 O THR C 38 68.707 7.516 -1.581 1.00 0.00 O ATOM 569 CB THR C 38 69.583 6.879 1.657 1.00 0.00 C ATOM 570 OG1 THR C 38 70.916 7.231 1.315 1.00 0.00 O ATOM 571 CG2 THR C 38 69.588 5.900 2.832 1.00 0.00 C ATOM 0 H THR C 38 68.346 4.193 0.315 1.00 0.00 H new ATOM 0 HA THR C 38 67.813 6.448 0.481 1.00 0.00 H new ATOM 0 HB THR C 38 69.037 7.775 1.953 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.465 6.421 1.264 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.086 6.359 3.686 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.562 5.650 3.102 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.119 4.992 2.547 1.00 0.00 H new ATOM 579 N LYS C 39 70.664 6.617 -1.176 1.00 0.00 N ATOM 580 CA LYS C 39 71.206 7.169 -2.447 1.00 0.00 C ATOM 581 C LYS C 39 70.213 6.872 -3.573 1.00 0.00 C ATOM 582 O LYS C 39 70.041 7.648 -4.490 1.00 0.00 O ATOM 583 CB LYS C 39 72.527 6.437 -2.679 1.00 0.00 C ATOM 584 CG LYS C 39 73.573 7.429 -3.192 1.00 0.00 C ATOM 585 CD LYS C 39 74.861 7.282 -2.379 1.00 0.00 C ATOM 586 CE LYS C 39 75.932 8.217 -2.946 1.00 0.00 C ATOM 587 NZ LYS C 39 77.227 7.542 -2.648 1.00 0.00 N ATOM 0 H LYS C 39 71.320 6.071 -0.618 1.00 0.00 H new ATOM 0 HA LYS C 39 71.359 8.248 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.869 5.978 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS C 39 72.388 5.632 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS C 39 73.774 7.247 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS C 39 73.194 8.448 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.672 7.520 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS C 39 75.209 6.250 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS C 39 75.801 8.364 -4.018 1.00 0.00 H new ATOM 0 HE3 LYS C 39 75.883 9.202 -2.481 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 78.012 8.123 -3.007 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 77.327 7.421 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 77.247 6.610 -3.109 1.00 0.00 H new ATOM 601 N GLU C 40 69.544 5.753 -3.488 1.00 0.00 N ATOM 602 CA GLU C 40 68.539 5.396 -4.530 1.00 0.00 C ATOM 603 C GLU C 40 67.175 5.961 -4.125 1.00 0.00 C ATOM 604 O GLU C 40 66.290 6.131 -4.940 1.00 0.00 O ATOM 605 CB GLU C 40 68.502 3.866 -4.543 1.00 0.00 C ATOM 606 CG GLU C 40 69.906 3.316 -4.801 1.00 0.00 C ATOM 607 CD GLU C 40 70.613 3.069 -3.467 1.00 0.00 C ATOM 608 OE1 GLU C 40 70.155 3.599 -2.469 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.601 2.353 -3.467 1.00 0.00 O ATOM 0 H GLU C 40 69.651 5.069 -2.739 1.00 0.00 H new ATOM 0 HA GLU C 40 68.787 5.798 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU C 40 68.125 3.494 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.817 3.516 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.845 2.388 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU C 40 70.479 4.021 -5.403 1.00 0.00 H new ATOM 616 N LEU C 41 67.010 6.255 -2.864 1.00 0.00 N ATOM 617 CA LEU C 41 65.724 6.813 -2.375 1.00 0.00 C ATOM 618 C LEU C 41 65.678 8.319 -2.635 1.00 0.00 C ATOM 619 O LEU C 41 66.164 8.802 -3.637 1.00 0.00 O ATOM 620 CB LEU C 41 65.735 6.535 -0.870 1.00 0.00 C ATOM 621 CG LEU C 41 64.307 6.305 -0.378 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.726 5.086 -1.082 1.00 0.00 C ATOM 623 CD2 LEU C 41 64.322 6.063 1.133 1.00 0.00 C ATOM 0 H LEU C 41 67.723 6.129 -2.145 1.00 0.00 H new ATOM 0 HA LEU C 41 64.859 6.374 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU C 41 66.349 5.660 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.182 7.375 -0.339 1.00 0.00 H new ATOM 0 HG LEU C 41 63.697 7.181 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.707 4.917 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.719 5.256 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU C 41 64.336 4.211 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU C 41 63.304 5.899 1.485 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.929 5.185 1.355 1.00 0.00 H new ATOM 0 HD23 LEU C 41 64.744 6.933 1.637 1.00 0.00 H new ATOM 635 N GLY C 42 65.110 9.056 -1.723 1.00 0.00 N ATOM 636 CA GLY C 42 65.025 10.535 -1.878 1.00 0.00 C ATOM 637 C GLY C 42 64.187 10.894 -3.110 1.00 0.00 C ATOM 638 O GLY C 42 63.153 11.523 -3.004 1.00 0.00 O ATOM 0 H GLY C 42 64.695 8.692 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.580 10.976 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.026 10.955 -1.976 1.00 0.00 H new ATOM 642 N LYS C 43 64.623 10.504 -4.276 1.00 0.00 N ATOM 643 CA LYS C 43 63.851 10.830 -5.509 1.00 0.00 C ATOM 644 C LYS C 43 62.360 10.583 -5.276 1.00 0.00 C ATOM 645 O LYS C 43 61.521 11.358 -5.690 1.00 0.00 O ATOM 646 CB LYS C 43 64.392 9.880 -6.578 1.00 0.00 C ATOM 647 CG LYS C 43 65.426 10.610 -7.439 1.00 0.00 C ATOM 648 CD LYS C 43 66.809 10.010 -7.197 1.00 0.00 C ATOM 649 CE LYS C 43 67.222 9.168 -8.407 1.00 0.00 C ATOM 650 NZ LYS C 43 68.609 9.609 -8.726 1.00 0.00 N ATOM 0 H LYS C 43 65.481 9.973 -4.429 1.00 0.00 H new ATOM 0 HA LYS C 43 63.959 11.875 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS C 43 64.846 9.008 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS C 43 63.576 9.516 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS C 43 65.161 10.526 -8.493 1.00 0.00 H new ATOM 0 HG3 LYS C 43 65.432 11.673 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS C 43 67.537 10.804 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.797 9.393 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS C 43 67.189 8.103 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.551 9.333 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 68.963 9.076 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 68.608 10.625 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 69.226 9.434 -7.907 1.00 0.00 H new ATOM 664 N VAL C 44 62.022 9.513 -4.611 1.00 0.00 N ATOM 665 CA VAL C 44 60.586 9.228 -4.348 1.00 0.00 C ATOM 666 C VAL C 44 60.082 10.111 -3.206 1.00 0.00 C ATOM 667 O VAL C 44 58.912 10.422 -3.120 1.00 0.00 O ATOM 668 CB VAL C 44 60.538 7.757 -3.945 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.146 7.424 -3.408 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.836 6.884 -5.166 1.00 0.00 C ATOM 0 H VAL C 44 62.678 8.826 -4.239 1.00 0.00 H new ATOM 0 HA VAL C 44 59.958 9.431 -5.215 1.00 0.00 H new ATOM 0 HB VAL C 44 61.282 7.566 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL C 44 59.109 6.374 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.933 8.047 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.402 7.614 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.802 5.833 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.091 7.073 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.827 7.123 -5.551 1.00 0.00 H new ATOM 680 N MET C 45 60.958 10.517 -2.327 1.00 0.00 N ATOM 681 CA MET C 45 60.524 11.379 -1.193 1.00 0.00 C ATOM 682 C MET C 45 59.898 12.674 -1.721 1.00 0.00 C ATOM 683 O MET C 45 58.716 12.910 -1.569 1.00 0.00 O ATOM 684 CB MET C 45 61.802 11.681 -0.413 1.00 0.00 C ATOM 685 CG MET C 45 62.445 10.371 0.055 1.00 0.00 C ATOM 686 SD MET C 45 61.272 9.461 1.088 1.00 0.00 S ATOM 687 CE MET C 45 60.439 8.579 -0.252 1.00 0.00 C ATOM 0 H MET C 45 61.952 10.289 -2.346 1.00 0.00 H new ATOM 0 HA MET C 45 59.772 10.894 -0.571 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.500 12.236 -1.040 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.574 12.312 0.446 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.733 9.767 -0.805 1.00 0.00 H new ATOM 0 HG3 MET C 45 63.355 10.580 0.617 1.00 0.00 H new ATOM 0 HE1 MET C 45 60.093 7.611 0.110 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.586 9.163 -0.597 1.00 0.00 H new ATOM 0 HE3 MET C 45 61.135 8.430 -1.078 1.00 0.00 H new ATOM 697 N ARG C 46 60.684 13.515 -2.336 1.00 0.00 N ATOM 698 CA ARG C 46 60.134 14.794 -2.870 1.00 0.00 C ATOM 699 C ARG C 46 58.835 14.536 -3.639 1.00 0.00 C ATOM 700 O ARG C 46 57.996 15.406 -3.767 1.00 0.00 O ATOM 701 CB ARG C 46 61.214 15.332 -3.809 1.00 0.00 C ATOM 702 CG ARG C 46 61.680 14.217 -4.747 1.00 0.00 C ATOM 703 CD ARG C 46 62.266 14.832 -6.021 1.00 0.00 C ATOM 704 NE ARG C 46 61.222 14.626 -7.063 1.00 0.00 N ATOM 705 CZ ARG C 46 60.775 15.643 -7.748 1.00 0.00 C ATOM 706 NH1 ARG C 46 61.600 16.561 -8.166 1.00 0.00 N ATOM 707 NH2 ARG C 46 59.500 15.741 -8.013 1.00 0.00 N ATOM 0 H ARG C 46 61.682 13.372 -2.492 1.00 0.00 H new ATOM 0 HA ARG C 46 59.896 15.501 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG C 46 60.823 16.169 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.057 15.711 -3.231 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.429 13.599 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG C 46 60.843 13.564 -4.997 1.00 0.00 H new ATOM 0 HD2 ARG C 46 62.484 15.891 -5.884 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.202 14.348 -6.299 1.00 0.00 H new ATOM 0 HE ARG C 46 60.857 13.691 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG C 46 62.596 16.485 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG C 46 61.250 17.356 -8.701 1.00 0.00 H new ATOM 0 HH21 ARG C 46 58.854 15.023 -7.685 1.00 0.00 H new ATOM 0 HH22 ARG C 46 59.150 16.536 -8.548 1.00 0.00 H new ATOM 721 N MET C 47 58.659 13.348 -4.148 1.00 0.00 N ATOM 722 CA MET C 47 57.413 13.040 -4.904 1.00 0.00 C ATOM 723 C MET C 47 56.250 12.815 -3.933 1.00 0.00 C ATOM 724 O MET C 47 55.127 13.194 -4.197 1.00 0.00 O ATOM 725 CB MET C 47 57.723 11.761 -5.681 1.00 0.00 C ATOM 726 CG MET C 47 58.289 12.127 -7.055 1.00 0.00 C ATOM 727 SD MET C 47 57.973 10.778 -8.218 1.00 0.00 S ATOM 728 CE MET C 47 58.768 9.465 -7.260 1.00 0.00 C ATOM 0 H MET C 47 59.324 12.578 -4.073 1.00 0.00 H new ATOM 0 HA MET C 47 57.120 13.854 -5.567 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.440 11.152 -5.130 1.00 0.00 H new ATOM 0 HB3 MET C 47 56.819 11.163 -5.795 1.00 0.00 H new ATOM 0 HG2 MET C 47 57.830 13.047 -7.416 1.00 0.00 H new ATOM 0 HG3 MET C 47 59.360 12.314 -6.981 1.00 0.00 H new ATOM 0 HE1 MET C 47 58.738 8.533 -7.825 1.00 0.00 H new ATOM 0 HE2 MET C 47 59.805 9.736 -7.062 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.241 9.334 -6.315 1.00 0.00 H new ATOM 738 N LEU C 48 56.512 12.209 -2.806 1.00 0.00 N ATOM 739 CA LEU C 48 55.419 11.973 -1.820 1.00 0.00 C ATOM 740 C LEU C 48 55.003 13.299 -1.180 1.00 0.00 C ATOM 741 O LEU C 48 53.973 13.399 -0.544 1.00 0.00 O ATOM 742 CB LEU C 48 56.020 11.041 -0.765 1.00 0.00 C ATOM 743 CG LEU C 48 56.367 9.691 -1.397 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.621 8.664 -0.292 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.204 9.217 -2.271 1.00 0.00 C ATOM 0 H LEU C 48 57.432 11.869 -2.527 1.00 0.00 H new ATOM 0 HA LEU C 48 54.532 11.541 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.915 11.492 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.313 10.898 0.052 1.00 0.00 H new ATOM 0 HG LEU C 48 57.261 9.799 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU C 48 56.868 7.701 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.450 8.998 0.332 1.00 0.00 H new ATOM 0 HD13 LEU C 48 55.726 8.560 0.321 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.454 8.256 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.309 9.110 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.019 9.948 -3.058 1.00 0.00 H new ATOM 757 N GLY C 49 55.804 14.315 -1.341 1.00 0.00 N ATOM 758 CA GLY C 49 55.469 15.636 -0.740 1.00 0.00 C ATOM 759 C GLY C 49 56.421 15.914 0.423 1.00 0.00 C ATOM 760 O GLY C 49 56.173 16.766 1.254 1.00 0.00 O ATOM 0 H GLY C 49 56.679 14.287 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.553 16.422 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.437 15.638 -0.390 1.00 0.00 H new ATOM 764 N GLN C 50 57.512 15.199 0.488 1.00 0.00 N ATOM 765 CA GLN C 50 58.486 15.416 1.596 1.00 0.00 C ATOM 766 C GLN C 50 59.914 15.211 1.085 1.00 0.00 C ATOM 767 O GLN C 50 60.141 14.538 0.099 1.00 0.00 O ATOM 768 CB GLN C 50 58.130 14.360 2.645 1.00 0.00 C ATOM 769 CG GLN C 50 59.244 14.274 3.692 1.00 0.00 C ATOM 770 CD GLN C 50 59.090 12.983 4.499 1.00 0.00 C ATOM 771 OE1 GLN C 50 60.028 12.223 4.635 1.00 0.00 O ATOM 772 NE2 GLN C 50 57.938 12.702 5.044 1.00 0.00 N ATOM 0 H GLN C 50 57.771 14.473 -0.180 1.00 0.00 H new ATOM 0 HA GLN C 50 58.437 16.426 2.004 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.186 14.615 3.126 1.00 0.00 H new ATOM 0 HB3 GLN C 50 57.992 13.390 2.166 1.00 0.00 H new ATOM 0 HG2 GLN C 50 60.218 14.296 3.204 1.00 0.00 H new ATOM 0 HG3 GLN C 50 59.201 15.137 4.356 1.00 0.00 H new ATOM 0 HE21 GLN C 50 57.151 13.340 4.930 1.00 0.00 H new ATOM 0 HE22 GLN C 50 57.825 11.844 5.584 1.00 0.00 H new ATOM 781 N ASN C 51 60.879 15.780 1.754 1.00 0.00 N ATOM 782 CA ASN C 51 62.293 15.616 1.311 1.00 0.00 C ATOM 783 C ASN C 51 63.203 15.424 2.529 1.00 0.00 C ATOM 784 O ASN C 51 63.732 16.377 3.064 1.00 0.00 O ATOM 785 CB ASN C 51 62.633 16.918 0.585 1.00 0.00 C ATOM 786 CG ASN C 51 63.707 16.650 -0.470 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.151 15.531 -0.633 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.147 17.639 -1.201 1.00 0.00 N ATOM 0 H ASN C 51 60.750 16.352 2.589 1.00 0.00 H new ATOM 0 HA ASN C 51 62.431 14.746 0.669 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.740 17.328 0.114 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.987 17.662 1.298 1.00 0.00 H new ATOM 0 HD21 ASN C 51 64.863 17.471 -1.908 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.775 18.579 -1.065 1.00 0.00 H new ATOM 795 N PRO C 52 63.345 14.189 2.930 1.00 0.00 N ATOM 796 CA PRO C 52 64.192 13.863 4.100 1.00 0.00 C ATOM 797 C PRO C 52 65.674 13.885 3.716 1.00 0.00 C ATOM 798 O PRO C 52 66.093 13.232 2.779 1.00 0.00 O ATOM 799 CB PRO C 52 63.752 12.452 4.477 1.00 0.00 C ATOM 800 CG PRO C 52 63.199 11.858 3.218 1.00 0.00 C ATOM 801 CD PRO C 52 62.737 12.994 2.337 1.00 0.00 C ATOM 0 HA PRO C 52 64.081 14.575 4.918 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.591 11.866 4.852 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.999 12.473 5.265 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.959 11.265 2.709 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.370 11.188 3.444 1.00 0.00 H new ATOM 0 HD2 PRO C 52 63.061 12.854 1.306 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.650 13.068 2.322 1.00 0.00 H new ATOM 809 N THR C 53 66.472 14.627 4.432 1.00 0.00 N ATOM 810 CA THR C 53 67.925 14.685 4.106 1.00 0.00 C ATOM 811 C THR C 53 68.506 13.270 4.041 1.00 0.00 C ATOM 812 O THR C 53 67.825 12.306 4.330 1.00 0.00 O ATOM 813 CB THR C 53 68.558 15.472 5.254 1.00 0.00 C ATOM 814 OG1 THR C 53 67.668 15.490 6.363 1.00 0.00 O ATOM 815 CG2 THR C 53 68.839 16.904 4.799 1.00 0.00 C ATOM 0 H THR C 53 66.182 15.195 5.228 1.00 0.00 H new ATOM 0 HA THR C 53 68.114 15.152 3.140 1.00 0.00 H new ATOM 0 HB THR C 53 69.494 14.997 5.548 1.00 0.00 H new ATOM 0 HG1 THR C 53 68.074 15.993 7.100 1.00 0.00 H new ATOM 0 HG21 THR C 53 69.290 17.464 5.618 1.00 0.00 H new ATOM 0 HG22 THR C 53 69.523 16.889 3.950 1.00 0.00 H new ATOM 0 HG23 THR C 53 67.905 17.382 4.504 1.00 0.00 H new ATOM 823 N PRO C 54 69.753 13.195 3.664 1.00 0.00 N ATOM 824 CA PRO C 54 70.441 11.885 3.562 1.00 0.00 C ATOM 825 C PRO C 54 70.712 11.323 4.959 1.00 0.00 C ATOM 826 O PRO C 54 70.972 10.148 5.128 1.00 0.00 O ATOM 827 CB PRO C 54 71.746 12.222 2.847 1.00 0.00 C ATOM 828 CG PRO C 54 71.985 13.668 3.142 1.00 0.00 C ATOM 829 CD PRO C 54 70.633 14.312 3.302 1.00 0.00 C ATOM 0 HA PRO C 54 69.858 11.129 3.036 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.567 11.604 3.211 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.666 12.046 1.774 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.578 13.784 4.049 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.544 14.140 2.334 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.645 15.079 4.076 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.308 14.794 2.380 1.00 0.00 H new ATOM 837 N GLU C 55 70.649 12.155 5.962 1.00 0.00 N ATOM 838 CA GLU C 55 70.900 11.673 7.349 1.00 0.00 C ATOM 839 C GLU C 55 69.631 11.037 7.921 1.00 0.00 C ATOM 840 O GLU C 55 69.686 10.109 8.702 1.00 0.00 O ATOM 841 CB GLU C 55 71.276 12.926 8.141 1.00 0.00 C ATOM 842 CG GLU C 55 72.377 13.691 7.403 1.00 0.00 C ATOM 843 CD GLU C 55 72.425 15.133 7.912 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.500 15.314 9.116 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.384 16.032 7.088 1.00 0.00 O ATOM 0 H GLU C 55 70.434 13.149 5.881 1.00 0.00 H new ATOM 0 HA GLU C 55 71.683 10.916 7.390 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.401 13.563 8.270 1.00 0.00 H new ATOM 0 HB3 GLU C 55 71.618 12.649 9.138 1.00 0.00 H new ATOM 0 HG2 GLU C 55 73.340 13.206 7.561 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.186 13.679 6.330 1.00 0.00 H new ATOM 852 N GLU C 56 68.485 11.532 7.536 1.00 0.00 N ATOM 853 CA GLU C 56 67.211 10.957 8.057 1.00 0.00 C ATOM 854 C GLU C 56 66.778 9.765 7.201 1.00 0.00 C ATOM 855 O GLU C 56 65.934 8.984 7.593 1.00 0.00 O ATOM 856 CB GLU C 56 66.191 12.091 7.957 1.00 0.00 C ATOM 857 CG GLU C 56 65.996 12.726 9.335 1.00 0.00 C ATOM 858 CD GLU C 56 65.439 14.141 9.173 1.00 0.00 C ATOM 859 OE1 GLU C 56 65.908 14.844 8.293 1.00 0.00 O ATOM 860 OE2 GLU C 56 64.551 14.497 9.930 1.00 0.00 O ATOM 0 H GLU C 56 68.376 12.309 6.884 1.00 0.00 H new ATOM 0 HA GLU C 56 67.312 10.592 9.079 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.534 12.841 7.245 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.241 11.708 7.584 1.00 0.00 H new ATOM 0 HG2 GLU C 56 65.313 12.122 9.932 1.00 0.00 H new ATOM 0 HG3 GLU C 56 66.945 12.757 9.870 1.00 0.00 H new ATOM 867 N LEU C 57 67.351 9.614 6.038 1.00 0.00 N ATOM 868 CA LEU C 57 66.970 8.466 5.167 1.00 0.00 C ATOM 869 C LEU C 57 67.373 7.151 5.839 1.00 0.00 C ATOM 870 O LEU C 57 66.594 6.224 5.927 1.00 0.00 O ATOM 871 CB LEU C 57 67.751 8.663 3.868 1.00 0.00 C ATOM 872 CG LEU C 57 67.000 9.631 2.949 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.969 10.191 1.907 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.862 8.890 2.238 1.00 0.00 C ATOM 0 H LEU C 57 68.064 10.234 5.654 1.00 0.00 H new ATOM 0 HA LEU C 57 65.896 8.424 4.986 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.745 9.053 4.087 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.888 7.705 3.367 1.00 0.00 H new ATOM 0 HG LEU C 57 66.585 10.446 3.542 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.439 10.881 1.250 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.779 10.719 2.410 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.381 9.373 1.317 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.330 9.582 1.585 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.274 8.074 1.644 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.172 8.486 2.979 1.00 0.00 H new ATOM 886 N GLN C 58 68.585 7.065 6.318 1.00 0.00 N ATOM 887 CA GLN C 58 69.032 5.809 6.989 1.00 0.00 C ATOM 888 C GLN C 58 67.927 5.289 7.911 1.00 0.00 C ATOM 889 O GLN C 58 67.659 4.105 7.969 1.00 0.00 O ATOM 890 CB GLN C 58 70.266 6.208 7.801 1.00 0.00 C ATOM 891 CG GLN C 58 71.435 5.288 7.440 1.00 0.00 C ATOM 892 CD GLN C 58 71.160 3.879 7.965 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.977 3.684 9.151 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.124 2.879 7.127 1.00 0.00 N ATOM 0 H GLN C 58 69.283 7.807 6.274 1.00 0.00 H new ATOM 0 HA GLN C 58 69.256 5.015 6.277 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.529 7.246 7.596 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.051 6.139 8.867 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.571 5.264 6.359 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.360 5.673 7.870 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.277 3.042 6.132 1.00 0.00 H new ATOM 0 HE22 GLN C 58 70.942 1.935 7.467 1.00 0.00 H new ATOM 903 N GLU C 59 67.278 6.167 8.627 1.00 0.00 N ATOM 904 CA GLU C 59 66.186 5.718 9.536 1.00 0.00 C ATOM 905 C GLU C 59 65.125 4.961 8.734 1.00 0.00 C ATOM 906 O GLU C 59 64.604 3.953 9.171 1.00 0.00 O ATOM 907 CB GLU C 59 65.600 7.003 10.124 1.00 0.00 C ATOM 908 CG GLU C 59 64.341 6.666 10.925 1.00 0.00 C ATOM 909 CD GLU C 59 64.469 7.225 12.344 1.00 0.00 C ATOM 910 OE1 GLU C 59 65.587 7.489 12.756 1.00 0.00 O ATOM 911 OE2 GLU C 59 63.449 7.377 12.994 1.00 0.00 O ATOM 0 H GLU C 59 67.456 7.171 8.622 1.00 0.00 H new ATOM 0 HA GLU C 59 66.543 5.045 10.316 1.00 0.00 H new ATOM 0 HB2 GLU C 59 66.334 7.490 10.766 1.00 0.00 H new ATOM 0 HB3 GLU C 59 65.360 7.705 9.326 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.463 7.087 10.435 1.00 0.00 H new ATOM 0 HG3 GLU C 59 64.199 5.586 10.960 1.00 0.00 H new ATOM 918 N MET C 60 64.808 5.433 7.558 1.00 0.00 N ATOM 919 CA MET C 60 63.787 4.735 6.725 1.00 0.00 C ATOM 920 C MET C 60 64.254 3.309 6.416 1.00 0.00 C ATOM 921 O MET C 60 63.465 2.390 6.329 1.00 0.00 O ATOM 922 CB MET C 60 63.687 5.560 5.437 1.00 0.00 C ATOM 923 CG MET C 60 62.656 6.675 5.623 1.00 0.00 C ATOM 924 SD MET C 60 62.571 7.671 4.113 1.00 0.00 S ATOM 925 CE MET C 60 60.768 7.817 4.041 1.00 0.00 C ATOM 0 H MET C 60 65.212 6.271 7.139 1.00 0.00 H new ATOM 0 HA MET C 60 62.824 4.656 7.229 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.659 5.987 5.190 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.399 4.919 4.604 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.678 6.248 5.846 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.931 7.302 6.471 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.384 7.189 3.237 1.00 0.00 H new ATOM 0 HE2 MET C 60 60.339 7.495 4.990 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.494 8.855 3.853 1.00 0.00 H new ATOM 935 N ILE C 61 65.535 3.123 6.252 1.00 0.00 N ATOM 936 CA ILE C 61 66.063 1.762 5.950 1.00 0.00 C ATOM 937 C ILE C 61 66.334 0.995 7.247 1.00 0.00 C ATOM 938 O ILE C 61 66.365 -0.220 7.267 1.00 0.00 O ATOM 939 CB ILE C 61 67.365 2.015 5.195 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.046 2.522 3.787 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.166 0.716 5.102 1.00 0.00 C ATOM 942 CD1 ILE C 61 66.672 4.005 3.850 1.00 0.00 C ATOM 0 H ILE C 61 66.241 3.857 6.314 1.00 0.00 H new ATOM 0 HA ILE C 61 65.360 1.161 5.373 1.00 0.00 H new ATOM 0 HB ILE C 61 67.953 2.763 5.727 1.00 0.00 H new ATOM 0 HG12 ILE C 61 67.908 2.381 3.134 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.225 1.947 3.359 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.095 0.899 4.562 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.394 0.356 6.105 1.00 0.00 H new ATOM 0 HG23 ILE C 61 67.581 -0.035 4.572 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.445 4.366 2.847 1.00 0.00 H new ATOM 0 HD12 ILE C 61 65.798 4.133 4.488 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.507 4.574 4.260 1.00 0.00 H new ATOM 954 N ASP C 62 66.537 1.694 8.330 1.00 0.00 N ATOM 955 CA ASP C 62 66.813 1.003 9.623 1.00 0.00 C ATOM 956 C ASP C 62 65.529 0.385 10.182 1.00 0.00 C ATOM 957 O ASP C 62 65.566 -0.497 11.017 1.00 0.00 O ATOM 958 CB ASP C 62 67.330 2.100 10.555 1.00 0.00 C ATOM 959 CG ASP C 62 68.076 1.465 11.729 1.00 0.00 C ATOM 960 OD1 ASP C 62 68.211 0.252 11.735 1.00 0.00 O ATOM 961 OD2 ASP C 62 68.498 2.203 12.605 1.00 0.00 O ATOM 0 H ASP C 62 66.524 2.713 8.376 1.00 0.00 H new ATOM 0 HA ASP C 62 67.531 0.190 9.510 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.993 2.772 10.010 1.00 0.00 H new ATOM 0 HB3 ASP C 62 66.498 2.702 10.922 1.00 0.00 H new ATOM 966 N GLU C 63 64.394 0.841 9.733 1.00 0.00 N ATOM 967 CA GLU C 63 63.112 0.278 10.245 1.00 0.00 C ATOM 968 C GLU C 63 62.942 -1.171 9.781 1.00 0.00 C ATOM 969 O GLU C 63 62.084 -1.888 10.256 1.00 0.00 O ATOM 970 CB GLU C 63 62.020 1.165 9.644 1.00 0.00 C ATOM 971 CG GLU C 63 60.937 1.421 10.692 1.00 0.00 C ATOM 972 CD GLU C 63 61.063 2.851 11.217 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.527 3.697 10.471 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.692 3.077 12.357 1.00 0.00 O ATOM 0 H GLU C 63 64.297 1.578 9.035 1.00 0.00 H new ATOM 0 HA GLU C 63 63.075 0.267 11.334 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.448 2.110 9.309 1.00 0.00 H new ATOM 0 HB3 GLU C 63 61.586 0.683 8.768 1.00 0.00 H new ATOM 0 HG2 GLU C 63 59.950 1.268 10.255 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.035 0.711 11.513 1.00 0.00 H new ATOM 981 N VAL C 64 63.752 -1.608 8.855 1.00 0.00 N ATOM 982 CA VAL C 64 63.631 -3.012 8.364 1.00 0.00 C ATOM 983 C VAL C 64 65.011 -3.578 8.014 1.00 0.00 C ATOM 984 O VAL C 64 65.136 -4.480 7.210 1.00 0.00 O ATOM 985 CB VAL C 64 62.758 -2.916 7.113 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.314 -2.614 7.520 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.279 -1.793 6.215 1.00 0.00 C ATOM 0 H VAL C 64 64.490 -1.056 8.418 1.00 0.00 H new ATOM 0 HA VAL C 64 63.201 -3.675 9.115 1.00 0.00 H new ATOM 0 HB VAL C 64 62.793 -3.862 6.572 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.691 -2.545 6.628 1.00 0.00 H new ATOM 0 HG12 VAL C 64 60.942 -3.413 8.162 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.279 -1.668 8.061 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.658 -1.723 5.322 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.244 -0.848 6.757 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.308 -2.007 5.925 1.00 0.00 H new ATOM 997 N ASP C 65 66.048 -3.058 8.611 1.00 0.00 N ATOM 998 CA ASP C 65 67.418 -3.571 8.312 1.00 0.00 C ATOM 999 C ASP C 65 67.744 -4.765 9.212 1.00 0.00 C ATOM 1000 O ASP C 65 68.123 -4.608 10.356 1.00 0.00 O ATOM 1001 CB ASP C 65 68.355 -2.400 8.613 1.00 0.00 C ATOM 1002 CG ASP C 65 69.629 -2.537 7.777 1.00 0.00 C ATOM 1003 OD1 ASP C 65 69.571 -2.253 6.592 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.641 -2.926 8.337 1.00 0.00 O ATOM 0 H ASP C 65 66.008 -2.300 9.293 1.00 0.00 H new ATOM 0 HA ASP C 65 67.514 -3.915 7.282 1.00 0.00 H new ATOM 0 HB2 ASP C 65 67.859 -1.456 8.387 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.604 -2.383 9.674 1.00 0.00 H new ATOM 1009 N GLU C 66 67.597 -5.959 8.706 1.00 0.00 N ATOM 1010 CA GLU C 66 67.895 -7.164 9.533 1.00 0.00 C ATOM 1011 C GLU C 66 69.137 -7.882 8.997 1.00 0.00 C ATOM 1012 O GLU C 66 69.175 -9.093 8.908 1.00 0.00 O ATOM 1013 CB GLU C 66 66.660 -8.054 9.389 1.00 0.00 C ATOM 1014 CG GLU C 66 66.336 -8.239 7.906 1.00 0.00 C ATOM 1015 CD GLU C 66 65.715 -9.619 7.686 1.00 0.00 C ATOM 1016 OE1 GLU C 66 65.824 -10.445 8.578 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.143 -9.829 6.629 1.00 0.00 O ATOM 0 H GLU C 66 67.283 -6.153 7.755 1.00 0.00 H new ATOM 0 HA GLU C 66 68.100 -6.911 10.573 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.840 -9.022 9.857 1.00 0.00 H new ATOM 0 HB3 GLU C 66 65.812 -7.604 9.904 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.648 -7.462 7.574 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.243 -8.138 7.310 1.00 0.00 H new ATOM 1024 N ASP C 67 70.153 -7.146 8.641 1.00 0.00 N ATOM 1025 CA ASP C 67 71.390 -7.790 8.111 1.00 0.00 C ATOM 1026 C ASP C 67 72.620 -6.951 8.472 1.00 0.00 C ATOM 1027 O ASP C 67 73.687 -7.126 7.916 1.00 0.00 O ATOM 1028 CB ASP C 67 71.195 -7.833 6.595 1.00 0.00 C ATOM 1029 CG ASP C 67 70.957 -6.416 6.072 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.152 -5.483 6.836 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.584 -6.285 4.919 1.00 0.00 O ATOM 0 H ASP C 67 70.181 -6.128 8.694 1.00 0.00 H new ATOM 0 HA ASP C 67 71.551 -8.784 8.529 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.073 -8.266 6.117 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.348 -8.472 6.344 1.00 0.00 H new ATOM 1036 N GLY C 68 72.479 -6.043 9.398 1.00 0.00 N ATOM 1037 CA GLY C 68 73.639 -5.194 9.792 1.00 0.00 C ATOM 1038 C GLY C 68 74.359 -4.695 8.538 1.00 0.00 C ATOM 1039 O GLY C 68 75.549 -4.447 8.551 1.00 0.00 O ATOM 0 H GLY C 68 71.611 -5.852 9.899 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.297 -4.348 10.388 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.326 -5.766 10.415 1.00 0.00 H new ATOM 1043 N SER C 69 73.649 -4.546 7.453 1.00 0.00 N ATOM 1044 CA SER C 69 74.294 -4.062 6.199 1.00 0.00 C ATOM 1045 C SER C 69 74.069 -2.557 6.031 1.00 0.00 C ATOM 1046 O SER C 69 75.001 -1.795 5.864 1.00 0.00 O ATOM 1047 CB SER C 69 73.604 -4.835 5.076 1.00 0.00 C ATOM 1048 OG SER C 69 72.239 -4.443 5.004 1.00 0.00 O ATOM 0 H SER C 69 72.650 -4.739 7.381 1.00 0.00 H new ATOM 0 HA SER C 69 75.372 -4.221 6.203 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.101 -4.639 4.126 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.677 -5.907 5.259 1.00 0.00 H new ATOM 0 HG SER C 69 71.863 -4.400 5.908 1.00 0.00 H new ATOM 1054 N GLY C 70 72.839 -2.123 6.073 1.00 0.00 N ATOM 1055 CA GLY C 70 72.555 -0.668 5.915 1.00 0.00 C ATOM 1056 C GLY C 70 71.690 -0.449 4.673 1.00 0.00 C ATOM 1057 O GLY C 70 71.079 0.588 4.504 1.00 0.00 O ATOM 0 H GLY C 70 72.018 -2.713 6.210 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.043 -0.288 6.799 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.488 -0.112 5.824 1.00 0.00 H new ATOM 1061 N THR C 71 71.633 -1.419 3.801 1.00 0.00 N ATOM 1062 CA THR C 71 70.808 -1.269 2.568 1.00 0.00 C ATOM 1063 C THR C 71 69.513 -2.075 2.700 1.00 0.00 C ATOM 1064 O THR C 71 69.320 -2.806 3.650 1.00 0.00 O ATOM 1065 CB THR C 71 71.677 -1.829 1.441 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.032 -3.172 1.743 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.945 -0.982 1.304 1.00 0.00 C ATOM 0 H THR C 71 72.122 -2.310 3.889 1.00 0.00 H new ATOM 0 HA THR C 71 70.521 -0.234 2.384 1.00 0.00 H new ATOM 0 HB THR C 71 71.121 -1.801 0.504 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.588 -3.534 1.021 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.564 -1.381 0.501 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.672 0.048 1.074 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.503 -1.009 2.240 1.00 0.00 H new ATOM 1075 N VAL C 72 68.623 -1.948 1.754 1.00 0.00 N ATOM 1076 CA VAL C 72 67.344 -2.711 1.832 1.00 0.00 C ATOM 1077 C VAL C 72 67.090 -3.465 0.525 1.00 0.00 C ATOM 1078 O VAL C 72 67.401 -2.992 -0.550 1.00 0.00 O ATOM 1079 CB VAL C 72 66.266 -1.652 2.058 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.883 -2.269 1.847 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.373 -1.126 3.490 1.00 0.00 C ATOM 0 H VAL C 72 68.725 -1.351 0.933 1.00 0.00 H new ATOM 0 HA VAL C 72 67.359 -3.457 2.627 1.00 0.00 H new ATOM 0 HB VAL C 72 66.406 -0.834 1.351 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.117 -1.510 2.009 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.806 -2.650 0.829 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.738 -3.087 2.552 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.606 -0.370 3.658 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.231 -1.948 4.191 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.358 -0.685 3.643 1.00 0.00 H new ATOM 1091 N ASP C 73 66.519 -4.634 0.614 1.00 0.00 N ATOM 1092 CA ASP C 73 66.234 -5.423 -0.618 1.00 0.00 C ATOM 1093 C ASP C 73 64.745 -5.764 -0.682 1.00 0.00 C ATOM 1094 O ASP C 73 63.965 -5.324 0.138 1.00 0.00 O ATOM 1095 CB ASP C 73 67.074 -6.696 -0.479 1.00 0.00 C ATOM 1096 CG ASP C 73 67.976 -6.856 -1.706 1.00 0.00 C ATOM 1097 OD1 ASP C 73 67.919 -6.005 -2.577 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.710 -7.831 -1.753 1.00 0.00 O ATOM 0 H ASP C 73 66.237 -5.078 1.488 1.00 0.00 H new ATOM 0 HA ASP C 73 66.478 -4.877 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.680 -6.646 0.426 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.422 -7.564 -0.379 1.00 0.00 H new ATOM 1103 N PHE C 74 64.342 -6.546 -1.646 1.00 0.00 N ATOM 1104 CA PHE C 74 62.900 -6.912 -1.749 1.00 0.00 C ATOM 1105 C PHE C 74 62.472 -7.703 -0.510 1.00 0.00 C ATOM 1106 O PHE C 74 61.302 -7.931 -0.280 1.00 0.00 O ATOM 1107 CB PHE C 74 62.798 -7.779 -3.004 1.00 0.00 C ATOM 1108 CG PHE C 74 61.380 -8.278 -3.156 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.341 -7.372 -3.396 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.106 -9.646 -3.054 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.027 -7.834 -3.536 1.00 0.00 C ATOM 1112 CE2 PHE C 74 59.792 -10.110 -3.194 1.00 0.00 C ATOM 1113 CZ PHE C 74 58.753 -9.203 -3.435 1.00 0.00 C ATOM 0 H PHE C 74 64.946 -6.946 -2.364 1.00 0.00 H new ATOM 0 HA PHE C 74 62.252 -6.037 -1.809 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.088 -7.202 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.486 -8.621 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE C 74 60.553 -6.316 -3.473 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.908 -10.345 -2.867 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.225 -7.135 -3.722 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.580 -11.166 -3.116 1.00 0.00 H new ATOM 0 HZ PHE C 74 57.739 -9.560 -3.543 1.00 0.00 H new ATOM 1123 N ASP C 75 63.415 -8.120 0.293 1.00 0.00 N ATOM 1124 CA ASP C 75 63.063 -8.894 1.518 1.00 0.00 C ATOM 1125 C ASP C 75 62.764 -7.935 2.674 1.00 0.00 C ATOM 1126 O ASP C 75 61.737 -8.023 3.317 1.00 0.00 O ATOM 1127 CB ASP C 75 64.303 -9.737 1.827 1.00 0.00 C ATOM 1128 CG ASP C 75 63.918 -11.218 1.887 1.00 0.00 C ATOM 1129 OD1 ASP C 75 62.766 -11.523 1.629 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.784 -12.021 2.191 1.00 0.00 O ATOM 0 H ASP C 75 64.412 -7.958 0.153 1.00 0.00 H new ATOM 0 HA ASP C 75 62.177 -9.513 1.377 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.062 -9.579 1.061 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.739 -9.426 2.776 1.00 0.00 H new ATOM 1135 N GLU C 76 63.653 -7.017 2.939 1.00 0.00 N ATOM 1136 CA GLU C 76 63.418 -6.051 4.049 1.00 0.00 C ATOM 1137 C GLU C 76 62.448 -4.958 3.592 1.00 0.00 C ATOM 1138 O GLU C 76 61.667 -4.442 4.367 1.00 0.00 O ATOM 1139 CB GLU C 76 64.791 -5.454 4.356 1.00 0.00 C ATOM 1140 CG GLU C 76 65.756 -6.567 4.766 1.00 0.00 C ATOM 1141 CD GLU C 76 67.189 -6.030 4.751 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.480 -5.199 3.907 1.00 0.00 O ATOM 1143 OE2 GLU C 76 67.969 -6.458 5.585 1.00 0.00 O ATOM 0 H GLU C 76 64.531 -6.894 2.435 1.00 0.00 H new ATOM 0 HA GLU C 76 62.978 -6.526 4.926 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.175 -4.931 3.480 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.708 -4.718 5.156 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.504 -6.933 5.761 1.00 0.00 H new ATOM 0 HG3 GLU C 76 65.665 -7.412 4.083 1.00 0.00 H new ATOM 1150 N PHE C 77 62.494 -4.603 2.337 1.00 0.00 N ATOM 1151 CA PHE C 77 61.577 -3.544 1.827 1.00 0.00 C ATOM 1152 C PHE C 77 60.125 -3.895 2.162 1.00 0.00 C ATOM 1153 O PHE C 77 59.354 -3.055 2.582 1.00 0.00 O ATOM 1154 CB PHE C 77 61.790 -3.527 0.312 1.00 0.00 C ATOM 1155 CG PHE C 77 60.678 -2.744 -0.342 1.00 0.00 C ATOM 1156 CD1 PHE C 77 59.492 -3.387 -0.713 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.833 -1.371 -0.576 1.00 0.00 C ATOM 1158 CE1 PHE C 77 58.461 -2.660 -1.317 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.801 -0.644 -1.180 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.614 -1.288 -1.551 1.00 0.00 C ATOM 0 H PHE C 77 63.127 -5.000 1.643 1.00 0.00 H new ATOM 0 HA PHE C 77 61.780 -2.572 2.276 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.754 -3.078 0.074 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.809 -4.546 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE C 77 59.373 -4.445 -0.533 1.00 0.00 H new ATOM 0 HD2 PHE C 77 61.748 -0.874 -0.290 1.00 0.00 H new ATOM 0 HE1 PHE C 77 57.546 -3.157 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE C 77 59.920 0.414 -1.360 1.00 0.00 H new ATOM 0 HZ PHE C 77 57.817 -0.727 -2.017 1.00 0.00 H new ATOM 1170 N LEU C 78 59.745 -5.132 1.983 1.00 0.00 N ATOM 1171 CA LEU C 78 58.343 -5.530 2.296 1.00 0.00 C ATOM 1172 C LEU C 78 58.023 -5.201 3.756 1.00 0.00 C ATOM 1173 O LEU C 78 57.023 -4.579 4.058 1.00 0.00 O ATOM 1174 CB LEU C 78 58.293 -7.041 2.064 1.00 0.00 C ATOM 1175 CG LEU C 78 58.191 -7.326 0.565 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.102 -8.836 0.338 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.937 -6.653 0.001 1.00 0.00 C ATOM 0 H LEU C 78 60.343 -5.881 1.635 1.00 0.00 H new ATOM 0 HA LEU C 78 57.615 -5.003 1.679 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.186 -7.512 2.474 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.438 -7.471 2.585 1.00 0.00 H new ATOM 0 HG LEU C 78 59.074 -6.933 0.060 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.029 -9.040 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU C 78 58.994 -9.317 0.739 1.00 0.00 H new ATOM 0 HD13 LEU C 78 57.219 -9.228 0.843 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.864 -6.856 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.055 -7.046 0.506 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.998 -5.577 0.162 1.00 0.00 H new ATOM 1189 N VAL C 79 58.868 -5.608 4.663 1.00 0.00 N ATOM 1190 CA VAL C 79 58.615 -5.314 6.103 1.00 0.00 C ATOM 1191 C VAL C 79 58.359 -3.817 6.290 1.00 0.00 C ATOM 1192 O VAL C 79 57.712 -3.400 7.231 1.00 0.00 O ATOM 1193 CB VAL C 79 59.895 -5.735 6.824 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.761 -5.440 8.318 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.125 -7.235 6.620 1.00 0.00 C ATOM 0 H VAL C 79 59.722 -6.131 4.470 1.00 0.00 H new ATOM 0 HA VAL C 79 57.742 -5.840 6.489 1.00 0.00 H new ATOM 0 HB VAL C 79 60.740 -5.178 6.418 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.674 -5.741 8.832 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.597 -4.373 8.465 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.916 -5.996 8.724 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.038 -7.536 7.134 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.280 -7.791 7.026 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.221 -7.447 5.555 1.00 0.00 H new ATOM 1205 N MET C 80 58.861 -3.007 5.399 1.00 0.00 N ATOM 1206 CA MET C 80 58.647 -1.537 5.520 1.00 0.00 C ATOM 1207 C MET C 80 57.186 -1.192 5.218 1.00 0.00 C ATOM 1208 O MET C 80 56.679 -0.170 5.635 1.00 0.00 O ATOM 1209 CB MET C 80 59.573 -0.914 4.474 1.00 0.00 C ATOM 1210 CG MET C 80 60.059 0.449 4.969 1.00 0.00 C ATOM 1211 SD MET C 80 59.462 1.741 3.851 1.00 0.00 S ATOM 1212 CE MET C 80 60.182 1.078 2.329 1.00 0.00 C ATOM 0 H MET C 80 59.411 -3.300 4.591 1.00 0.00 H new ATOM 0 HA MET C 80 58.861 -1.168 6.523 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.424 -1.570 4.289 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.045 -0.802 3.527 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.696 0.632 5.981 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.148 0.465 5.013 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.299 1.881 1.602 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.157 0.642 2.548 1.00 0.00 H new ATOM 0 HE3 MET C 80 59.525 0.311 1.920 1.00 0.00 H new ATOM 1222 N MET C 81 56.506 -2.037 4.492 1.00 0.00 N ATOM 1223 CA MET C 81 55.079 -1.757 4.163 1.00 0.00 C ATOM 1224 C MET C 81 54.157 -2.601 5.047 1.00 0.00 C ATOM 1225 O MET C 81 52.952 -2.444 5.033 1.00 0.00 O ATOM 1226 CB MET C 81 54.927 -2.153 2.694 1.00 0.00 C ATOM 1227 CG MET C 81 55.991 -1.435 1.861 1.00 0.00 C ATOM 1228 SD MET C 81 55.246 -0.010 1.030 1.00 0.00 S ATOM 1229 CE MET C 81 56.725 1.032 0.996 1.00 0.00 C ATOM 0 H MET C 81 56.876 -2.908 4.113 1.00 0.00 H new ATOM 0 HA MET C 81 54.812 -0.714 4.333 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.031 -3.232 2.584 1.00 0.00 H new ATOM 0 HB3 MET C 81 53.931 -1.891 2.336 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.810 -1.109 2.501 1.00 0.00 H new ATOM 0 HG3 MET C 81 56.414 -2.118 1.125 1.00 0.00 H new ATOM 0 HE1 MET C 81 56.499 1.968 0.485 1.00 0.00 H new ATOM 0 HE2 MET C 81 57.044 1.244 2.016 1.00 0.00 H new ATOM 0 HE3 MET C 81 57.524 0.513 0.466 1.00 0.00 H new ATOM 1239 N VAL C 82 54.713 -3.495 5.818 1.00 0.00 N ATOM 1240 CA VAL C 82 53.868 -4.346 6.704 1.00 0.00 C ATOM 1241 C VAL C 82 53.670 -3.661 8.058 1.00 0.00 C ATOM 1242 O VAL C 82 52.591 -3.669 8.617 1.00 0.00 O ATOM 1243 CB VAL C 82 54.652 -5.647 6.872 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.764 -6.697 7.541 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.093 -6.157 5.498 1.00 0.00 C ATOM 0 H VAL C 82 55.716 -3.673 5.873 1.00 0.00 H new ATOM 0 HA VAL C 82 52.876 -4.520 6.286 1.00 0.00 H new ATOM 0 HB VAL C 82 55.529 -5.464 7.493 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.324 -7.624 7.660 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.447 -6.336 8.519 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.887 -6.880 6.921 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.652 -7.085 5.617 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.215 -6.339 4.879 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.726 -5.410 5.019 1.00 0.00 H new ATOM 1255 N ARG C 83 54.703 -3.065 8.586 1.00 0.00 N ATOM 1256 CA ARG C 83 54.574 -2.379 9.903 1.00 0.00 C ATOM 1257 C ARG C 83 53.312 -1.512 9.925 1.00 0.00 C ATOM 1258 O ARG C 83 52.651 -1.389 10.937 1.00 0.00 O ATOM 1259 CB ARG C 83 55.828 -1.511 10.022 1.00 0.00 C ATOM 1260 CG ARG C 83 56.929 -2.300 10.733 1.00 0.00 C ATOM 1261 CD ARG C 83 58.091 -1.365 11.075 1.00 0.00 C ATOM 1262 NE ARG C 83 58.362 -1.602 12.520 1.00 0.00 N ATOM 1263 CZ ARG C 83 57.411 -1.431 13.398 1.00 0.00 C ATOM 1264 NH1 ARG C 83 56.747 -0.308 13.432 1.00 0.00 N ATOM 1265 NH2 ARG C 83 57.124 -2.383 14.243 1.00 0.00 N ATOM 0 H ARG C 83 55.630 -3.023 8.163 1.00 0.00 H new ATOM 0 HA ARG C 83 54.488 -3.083 10.731 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.167 -1.205 9.032 1.00 0.00 H new ATOM 0 HB3 ARG C 83 55.602 -0.601 10.577 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.535 -2.755 11.642 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.278 -3.112 10.095 1.00 0.00 H new ATOM 0 HD2 ARG C 83 58.968 -1.587 10.467 1.00 0.00 H new ATOM 0 HD3 ARG C 83 57.828 -0.324 10.888 1.00 0.00 H new ATOM 0 HE ARG C 83 59.290 -1.898 12.824 1.00 0.00 H new ATOM 0 HH11 ARG C 83 56.971 0.437 12.772 1.00 0.00 H new ATOM 0 HH12 ARG C 83 56.004 -0.175 14.118 1.00 0.00 H new ATOM 0 HH21 ARG C 83 57.643 -3.261 14.218 1.00 0.00 H new ATOM 0 HH22 ARG C 83 56.381 -2.249 14.929 1.00 0.00 H new ATOM 1279 N CYS C 84 52.973 -0.911 8.817 1.00 0.00 N ATOM 1280 CA CYS C 84 51.752 -0.056 8.777 1.00 0.00 C ATOM 1281 C CYS C 84 50.540 -0.886 8.344 1.00 0.00 C ATOM 1282 O CYS C 84 49.718 -0.444 7.567 1.00 0.00 O ATOM 1283 CB CYS C 84 52.058 1.027 7.742 1.00 0.00 C ATOM 1284 SG CYS C 84 52.314 0.257 6.123 1.00 0.00 S ATOM 0 H CYS C 84 53.488 -0.975 7.939 1.00 0.00 H new ATOM 0 HA CYS C 84 51.514 0.369 9.752 1.00 0.00 H new ATOM 0 HB2 CYS C 84 51.235 1.740 7.692 1.00 0.00 H new ATOM 0 HB3 CYS C 84 52.947 1.586 8.036 1.00 0.00 H new ATOM 0 HG CYS C 84 52.513 -1.018 6.276 1.00 0.00 H new ATOM 1290 N MET C 85 50.425 -2.086 8.843 1.00 0.00 N ATOM 1291 CA MET C 85 49.267 -2.945 8.461 1.00 0.00 C ATOM 1292 C MET C 85 48.105 -2.727 9.435 1.00 0.00 C ATOM 1293 O MET C 85 47.226 -3.557 9.563 1.00 0.00 O ATOM 1294 CB MET C 85 49.789 -4.378 8.560 1.00 0.00 C ATOM 1295 CG MET C 85 50.443 -4.778 7.236 1.00 0.00 C ATOM 1296 SD MET C 85 49.162 -5.076 5.992 1.00 0.00 S ATOM 1297 CE MET C 85 50.244 -5.039 4.542 1.00 0.00 C ATOM 0 H MET C 85 51.082 -2.509 9.498 1.00 0.00 H new ATOM 0 HA MET C 85 48.892 -2.716 7.463 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.511 -4.457 9.373 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.970 -5.059 8.793 1.00 0.00 H new ATOM 0 HG2 MET C 85 51.116 -3.990 6.898 1.00 0.00 H new ATOM 0 HG3 MET C 85 51.047 -5.675 7.373 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.652 -5.205 3.642 1.00 0.00 H new ATOM 0 HE2 MET C 85 50.736 -4.068 4.479 1.00 0.00 H new ATOM 0 HE3 MET C 85 50.997 -5.822 4.630 1.00 0.00 H new ATOM 1411 N SER I 3 52.765 3.816 4.062 1.00 0.00 N ATOM 1412 CA SER I 3 51.360 3.692 3.577 1.00 0.00 C ATOM 1413 C SER I 3 51.336 3.012 2.205 1.00 0.00 C ATOM 1414 O SER I 3 52.356 2.604 1.688 1.00 0.00 O ATOM 1415 CB SER I 3 50.849 5.128 3.474 1.00 0.00 C ATOM 1416 OG SER I 3 49.717 5.164 2.614 1.00 0.00 O ATOM 0 HA SER I 3 50.743 3.088 4.242 1.00 0.00 H new ATOM 0 HB2 SER I 3 50.581 5.503 4.462 1.00 0.00 H new ATOM 0 HB3 SER I 3 51.634 5.779 3.088 1.00 0.00 H new ATOM 0 HG SER I 3 49.291 6.045 2.671 1.00 0.00 H new ATOM 1422 N ALA I 4 50.180 2.884 1.615 1.00 0.00 N ATOM 1423 CA ALA I 4 50.095 2.227 0.279 1.00 0.00 C ATOM 1424 C ALA I 4 49.565 3.213 -0.768 1.00 0.00 C ATOM 1425 O ALA I 4 50.077 3.299 -1.867 1.00 0.00 O ATOM 1426 CB ALA I 4 49.115 1.070 0.469 1.00 0.00 C ATOM 0 H ALA I 4 49.291 3.205 1.999 1.00 0.00 H new ATOM 0 HA ALA I 4 51.068 1.885 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA I 4 48.998 0.534 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA I 4 49.499 0.389 1.228 1.00 0.00 H new ATOM 0 HB3 ALA I 4 48.148 1.460 0.787 1.00 0.00 H new ATOM 1432 N ASP I 5 48.543 3.954 -0.438 1.00 0.00 N ATOM 1433 CA ASP I 5 47.982 4.929 -1.419 1.00 0.00 C ATOM 1434 C ASP I 5 48.809 6.219 -1.424 1.00 0.00 C ATOM 1435 O ASP I 5 49.185 6.723 -2.464 1.00 0.00 O ATOM 1436 CB ASP I 5 46.559 5.206 -0.929 1.00 0.00 C ATOM 1437 CG ASP I 5 45.634 4.072 -1.377 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.536 3.094 -0.655 1.00 0.00 O ATOM 1439 OD2 ASP I 5 45.037 4.202 -2.433 1.00 0.00 O ATOM 0 H ASP I 5 48.072 3.928 0.466 1.00 0.00 H new ATOM 0 HA ASP I 5 47.997 4.542 -2.438 1.00 0.00 H new ATOM 0 HB2 ASP I 5 46.547 5.291 0.158 1.00 0.00 H new ATOM 0 HB3 ASP I 5 46.205 6.157 -1.327 1.00 0.00 H new ATOM 1444 N ALA I 6 49.092 6.759 -0.270 1.00 0.00 N ATOM 1445 CA ALA I 6 49.890 8.019 -0.206 1.00 0.00 C ATOM 1446 C ALA I 6 51.096 7.943 -1.146 1.00 0.00 C ATOM 1447 O ALA I 6 51.420 8.894 -1.831 1.00 0.00 O ATOM 1448 CB ALA I 6 50.353 8.121 1.246 1.00 0.00 C ATOM 0 H ALA I 6 48.805 6.382 0.633 1.00 0.00 H new ATOM 0 HA ALA I 6 49.306 8.886 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA I 6 50.948 9.025 1.375 1.00 0.00 H new ATOM 0 HB2 ALA I 6 49.484 8.162 1.903 1.00 0.00 H new ATOM 0 HB3 ALA I 6 50.957 7.249 1.497 1.00 0.00 H new ATOM 1454 N MET I 7 51.771 6.827 -1.181 1.00 0.00 N ATOM 1455 CA MET I 7 52.958 6.706 -2.074 1.00 0.00 C ATOM 1456 C MET I 7 52.516 6.470 -3.520 1.00 0.00 C ATOM 1457 O MET I 7 53.063 7.039 -4.446 1.00 0.00 O ATOM 1458 CB MET I 7 53.737 5.503 -1.544 1.00 0.00 C ATOM 1459 CG MET I 7 55.164 5.540 -2.094 1.00 0.00 C ATOM 1460 SD MET I 7 55.819 3.855 -2.194 1.00 0.00 S ATOM 1461 CE MET I 7 57.255 4.228 -3.230 1.00 0.00 C ATOM 0 H MET I 7 51.553 5.996 -0.632 1.00 0.00 H new ATOM 0 HA MET I 7 53.564 7.612 -2.075 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.755 5.519 -0.454 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.245 4.577 -1.841 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.173 6.004 -3.080 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.797 6.150 -1.450 1.00 0.00 H new ATOM 0 HE1 MET I 7 57.209 3.634 -4.143 1.00 0.00 H new ATOM 0 HE2 MET I 7 57.254 5.288 -3.486 1.00 0.00 H new ATOM 0 HE3 MET I 7 58.168 3.987 -2.686 1.00 0.00 H new ATOM 1471 N MET I 8 51.533 5.637 -3.726 1.00 0.00 N ATOM 1472 CA MET I 8 51.065 5.369 -5.115 1.00 0.00 C ATOM 1473 C MET I 8 50.372 6.608 -5.689 1.00 0.00 C ATOM 1474 O MET I 8 50.164 6.719 -6.881 1.00 0.00 O ATOM 1475 CB MET I 8 50.076 4.210 -4.986 1.00 0.00 C ATOM 1476 CG MET I 8 50.774 2.901 -5.362 1.00 0.00 C ATOM 1477 SD MET I 8 51.552 2.186 -3.893 1.00 0.00 S ATOM 1478 CE MET I 8 53.119 3.084 -4.002 1.00 0.00 C ATOM 0 H MET I 8 51.034 5.131 -2.994 1.00 0.00 H new ATOM 0 HA MET I 8 51.888 5.127 -5.788 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.697 4.153 -3.966 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.217 4.377 -5.636 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.053 2.200 -5.782 1.00 0.00 H new ATOM 0 HG3 MET I 8 51.525 3.085 -6.131 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.946 2.375 -3.991 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.146 3.658 -4.928 1.00 0.00 H new ATOM 0 HE3 MET I 8 53.210 3.761 -3.153 1.00 0.00 H new ATOM 1488 N GLN I 9 50.014 7.543 -4.850 1.00 0.00 N ATOM 1489 CA GLN I 9 49.337 8.774 -5.352 1.00 0.00 C ATOM 1490 C GLN I 9 50.381 9.798 -5.808 1.00 0.00 C ATOM 1491 O GLN I 9 50.209 10.471 -6.805 1.00 0.00 O ATOM 1492 CB GLN I 9 48.545 9.307 -4.157 1.00 0.00 C ATOM 1493 CG GLN I 9 47.142 8.696 -4.160 1.00 0.00 C ATOM 1494 CD GLN I 9 46.166 9.660 -4.838 1.00 0.00 C ATOM 1495 OE1 GLN I 9 46.317 10.862 -4.742 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.163 9.181 -5.523 1.00 0.00 N ATOM 0 H GLN I 9 50.161 7.508 -3.841 1.00 0.00 H new ATOM 0 HA GLN I 9 48.692 8.574 -6.208 1.00 0.00 H new ATOM 0 HB2 GLN I 9 49.059 9.060 -3.228 1.00 0.00 H new ATOM 0 HB3 GLN I 9 48.480 10.394 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.151 7.741 -4.686 1.00 0.00 H new ATOM 0 HG3 GLN I 9 46.820 8.494 -3.138 1.00 0.00 H new ATOM 0 HE21 GLN I 9 45.036 8.172 -5.604 1.00 0.00 H new ATOM 0 HE22 GLN I 9 44.506 9.816 -5.977 1.00 0.00 H new ATOM 1505 N ALA I 10 51.464 9.916 -5.089 1.00 0.00 N ATOM 1506 CA ALA I 10 52.519 10.894 -5.484 1.00 0.00 C ATOM 1507 C ALA I 10 53.292 10.372 -6.696 1.00 0.00 C ATOM 1508 O ALA I 10 53.403 11.034 -7.709 1.00 0.00 O ATOM 1509 CB ALA I 10 53.443 10.992 -4.271 1.00 0.00 C ATOM 0 H ALA I 10 51.664 9.378 -4.246 1.00 0.00 H new ATOM 0 HA ALA I 10 52.101 11.862 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.248 11.695 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.875 11.340 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.865 10.011 -4.055 1.00 0.00 H new ATOM 1515 N LEU I 11 53.830 9.187 -6.599 1.00 0.00 N ATOM 1516 CA LEU I 11 54.599 8.621 -7.742 1.00 0.00 C ATOM 1517 C LEU I 11 54.040 7.247 -8.127 1.00 0.00 C ATOM 1518 O LEU I 11 53.084 6.773 -7.546 1.00 0.00 O ATOM 1519 CB LEU I 11 56.037 8.498 -7.230 1.00 0.00 C ATOM 1520 CG LEU I 11 56.110 7.436 -6.128 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.429 6.670 -6.246 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.041 8.116 -4.759 1.00 0.00 C ATOM 0 H LEU I 11 53.770 8.586 -5.777 1.00 0.00 H new ATOM 0 HA LEU I 11 54.538 9.246 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU I 11 56.702 8.229 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.378 9.459 -6.844 1.00 0.00 H new ATOM 0 HG LEU I 11 55.274 6.744 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.482 5.914 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.483 6.186 -7.221 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.263 7.363 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.093 7.361 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU I 11 56.877 8.807 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.103 8.665 -4.672 1.00 0.00 H new ATOM 1534 N LEU I 12 54.628 6.608 -9.101 1.00 0.00 N ATOM 1535 CA LEU I 12 54.131 5.265 -9.520 1.00 0.00 C ATOM 1536 C LEU I 12 52.700 5.376 -10.054 1.00 0.00 C ATOM 1537 O LEU I 12 51.742 5.225 -9.322 1.00 0.00 O ATOM 1538 CB LEU I 12 54.161 4.405 -8.251 1.00 0.00 C ATOM 1539 CG LEU I 12 55.492 4.595 -7.515 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.301 4.289 -6.029 1.00 0.00 C ATOM 1541 CD2 LEU I 12 56.538 3.640 -8.097 1.00 0.00 C ATOM 0 H LEU I 12 55.431 6.957 -9.625 1.00 0.00 H new ATOM 0 HA LEU I 12 54.740 4.834 -10.315 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.333 4.679 -7.597 1.00 0.00 H new ATOM 0 HB3 LEU I 12 54.027 3.355 -8.511 1.00 0.00 H new ATOM 0 HG LEU I 12 55.829 5.625 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.247 4.424 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU I 12 54.555 4.965 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU I 12 54.964 3.259 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU I 12 57.485 3.775 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU I 12 56.199 2.611 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU I 12 56.676 3.853 -9.157 1.00 0.00 H new