USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 hydrogens (34 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 176:sc= -0.819 (180deg=-0.565) USER MOD Set 1.2: C 81 MET CE :methyl -156:sc= -2.07 (180deg=-3.57!) USER MOD Set 2.1: C 69 SER OG : rot -84:sc= 0.809 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ -131:sc= 0.203 (180deg=-0.00227) USER MOD Single : C 5 TYR OH : rot 30:sc= -2.23! USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.2!) USER MOD Single : C 13 THR OG1 : rot 175:sc= 1.18 USER MOD Single : C 16 GLN : amide:sc= -16! C(o=-16!,f=-19!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -2.86! C(o=-2.9!,f=-5.3!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.451 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc=-0.00438 USER MOD Single : C 39 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.141) USER MOD Single : C 43 LYS NZ :NH3+ 149:sc= -0.0943 (180deg=-0.951) USER MOD Single : C 45 MET CE :methyl 163:sc= -2.95 (180deg=-4.5!) USER MOD Single : C 47 MET CE :methyl 165:sc= -2.04 (180deg=-3.86) USER MOD Single : C 50 GLN : amide:sc= -0.329 K(o=-0.33,f=-3.5!) USER MOD Single : C 51 ASN : amide:sc= -0.0701 X(o=-0.07,f=-0.56) USER MOD Single : C 53 THR OG1 : rot 123:sc= 0.519 USER MOD Single : C 58 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : C 60 MET CE :methyl -115:sc= -9.06! (180deg=-13.7!) USER MOD Single : C 84 CYS SG : rot -45:sc= -3.03! USER MOD Single : C 85 MET CE :methyl 140:sc= -7.65! (180deg=-14.1!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot 180:sc= 0 USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl -160:sc= -6.23! (180deg=-7.84!) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc=-0.00877 X(o=-0.0088,f=0) USER MOD Single : I 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 85.757 -18.975 -8.076 1.00 0.00 N ATOM 2 CA MET C 1 86.749 -17.866 -8.171 1.00 0.00 C ATOM 3 C MET C 1 86.631 -16.973 -6.941 1.00 0.00 C ATOM 4 O MET C 1 87.625 -16.659 -6.286 1.00 0.00 O ATOM 5 CB MET C 1 86.472 -17.041 -9.429 1.00 0.00 C ATOM 6 CG MET C 1 87.292 -17.598 -10.593 1.00 0.00 C ATOM 7 SD MET C 1 86.219 -17.826 -12.033 1.00 0.00 S ATOM 8 CE MET C 1 86.407 -16.161 -12.717 1.00 0.00 C ATOM 0 H1 MET C 1 86.230 -19.881 -8.268 1.00 0.00 H new ATOM 0 H2 MET C 1 85.347 -18.993 -7.120 1.00 0.00 H new ATOM 0 H3 MET C 1 85.001 -18.825 -8.774 1.00 0.00 H new ATOM 0 HA MET C 1 87.755 -18.281 -8.223 1.00 0.00 H new ATOM 0 HB2 MET C 1 85.410 -17.072 -9.671 1.00 0.00 H new ATOM 0 HB3 MET C 1 86.729 -15.996 -9.256 1.00 0.00 H new ATOM 0 HG2 MET C 1 88.106 -16.916 -10.837 1.00 0.00 H new ATOM 0 HG3 MET C 1 87.746 -18.548 -10.310 1.00 0.00 H new ATOM 0 HE1 MET C 1 85.818 -16.074 -13.630 1.00 0.00 H new ATOM 0 HE2 MET C 1 86.059 -15.427 -11.990 1.00 0.00 H new ATOM 0 HE3 MET C 1 87.457 -15.977 -12.944 1.00 0.00 H new ATOM 20 N ASP C 2 85.403 -16.571 -6.633 1.00 0.00 N ATOM 21 CA ASP C 2 85.162 -15.716 -5.475 1.00 0.00 C ATOM 22 C ASP C 2 84.855 -16.561 -4.242 1.00 0.00 C ATOM 23 O ASP C 2 84.447 -16.041 -3.202 1.00 0.00 O ATOM 24 CB ASP C 2 83.989 -14.771 -5.741 1.00 0.00 C ATOM 25 CG ASP C 2 84.452 -13.327 -5.572 1.00 0.00 C ATOM 26 OD1 ASP C 2 84.516 -12.875 -4.440 1.00 0.00 O ATOM 27 OD2 ASP C 2 84.737 -12.696 -6.576 1.00 0.00 O ATOM 0 H ASP C 2 84.567 -16.820 -7.162 1.00 0.00 H new ATOM 0 HA ASP C 2 86.064 -15.130 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP C 2 83.605 -14.926 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP C 2 83.172 -14.985 -5.052 1.00 0.00 H new ATOM 32 N ASP C 3 85.062 -17.870 -4.367 1.00 0.00 N ATOM 33 CA ASP C 3 84.811 -18.782 -3.254 1.00 0.00 C ATOM 34 C ASP C 3 85.819 -18.536 -2.139 1.00 0.00 C ATOM 35 O ASP C 3 85.455 -18.200 -1.012 1.00 0.00 O ATOM 36 CB ASP C 3 84.933 -20.234 -3.717 1.00 0.00 C ATOM 37 CG ASP C 3 83.913 -20.506 -4.817 1.00 0.00 C ATOM 38 OD1 ASP C 3 83.884 -19.746 -5.771 1.00 0.00 O ATOM 39 OD2 ASP C 3 83.176 -21.469 -4.689 1.00 0.00 O ATOM 0 H ASP C 3 85.399 -18.319 -5.218 1.00 0.00 H new ATOM 0 HA ASP C 3 83.801 -18.601 -2.886 1.00 0.00 H new ATOM 0 HB2 ASP C 3 85.941 -20.426 -4.086 1.00 0.00 H new ATOM 0 HB3 ASP C 3 84.767 -20.909 -2.878 1.00 0.00 H new ATOM 44 N ILE C 4 87.095 -18.703 -2.474 1.00 0.00 N ATOM 45 CA ILE C 4 88.163 -18.494 -1.504 1.00 0.00 C ATOM 46 C ILE C 4 87.886 -17.243 -0.679 1.00 0.00 C ATOM 47 O ILE C 4 88.302 -17.135 0.475 1.00 0.00 O ATOM 48 CB ILE C 4 89.503 -18.336 -2.222 1.00 0.00 C ATOM 49 CG1 ILE C 4 89.412 -17.155 -3.199 1.00 0.00 C ATOM 50 CG2 ILE C 4 89.818 -19.623 -2.988 1.00 0.00 C ATOM 51 CD1 ILE C 4 90.494 -17.279 -4.277 1.00 0.00 C ATOM 0 H ILE C 4 87.412 -18.980 -3.403 1.00 0.00 H new ATOM 0 HA ILE C 4 88.205 -19.361 -0.845 1.00 0.00 H new ATOM 0 HB ILE C 4 90.295 -18.146 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE C 4 88.426 -17.132 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE C 4 89.532 -16.216 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE C 4 90.773 -19.516 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE C 4 89.874 -20.458 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE C 4 89.032 -19.813 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE C 4 90.421 -16.437 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE C 4 91.477 -17.279 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE C 4 90.355 -18.210 -4.827 1.00 0.00 H new ATOM 63 N TYR C 5 87.171 -16.301 -1.286 1.00 0.00 N ATOM 64 CA TYR C 5 86.830 -15.057 -0.604 1.00 0.00 C ATOM 65 C TYR C 5 85.759 -15.316 0.448 1.00 0.00 C ATOM 66 O TYR C 5 85.823 -14.797 1.563 1.00 0.00 O ATOM 67 CB TYR C 5 86.311 -14.022 -1.604 1.00 0.00 C ATOM 68 CG TYR C 5 87.426 -13.627 -2.543 1.00 0.00 C ATOM 69 CD1 TYR C 5 87.816 -14.494 -3.571 1.00 0.00 C ATOM 70 CD2 TYR C 5 88.072 -12.395 -2.384 1.00 0.00 C ATOM 71 CE1 TYR C 5 88.850 -14.129 -4.440 1.00 0.00 C ATOM 72 CE2 TYR C 5 89.107 -12.030 -3.253 1.00 0.00 C ATOM 73 CZ TYR C 5 89.497 -12.897 -4.281 1.00 0.00 C ATOM 74 OH TYR C 5 90.517 -12.537 -5.138 1.00 0.00 O ATOM 0 H TYR C 5 86.819 -16.374 -2.241 1.00 0.00 H new ATOM 0 HA TYR C 5 87.730 -14.672 -0.125 1.00 0.00 H new ATOM 0 HB2 TYR C 5 85.474 -14.434 -2.168 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.938 -13.145 -1.075 1.00 0.00 H new ATOM 0 HD1 TYR C 5 87.319 -15.445 -3.693 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.772 -11.726 -1.591 1.00 0.00 H new ATOM 0 HE1 TYR C 5 89.149 -14.797 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR C 5 89.605 -11.079 -3.130 1.00 0.00 H new ATOM 0 HH TYR C 5 90.367 -12.947 -6.015 1.00 0.00 H new ATOM 84 N LYS C 6 84.775 -16.132 0.078 1.00 0.00 N ATOM 85 CA LYS C 6 83.684 -16.470 0.991 1.00 0.00 C ATOM 86 C LYS C 6 84.225 -16.767 2.389 1.00 0.00 C ATOM 87 O LYS C 6 83.522 -16.614 3.387 1.00 0.00 O ATOM 88 CB LYS C 6 82.923 -17.697 0.484 1.00 0.00 C ATOM 89 CG LYS C 6 81.978 -17.282 -0.645 1.00 0.00 C ATOM 90 CD LYS C 6 81.050 -16.169 -0.151 1.00 0.00 C ATOM 91 CE LYS C 6 79.705 -16.266 -0.875 1.00 0.00 C ATOM 92 NZ LYS C 6 79.083 -14.914 -0.952 1.00 0.00 N ATOM 0 H LYS C 6 84.710 -16.569 -0.841 1.00 0.00 H new ATOM 0 HA LYS C 6 83.010 -15.615 1.037 1.00 0.00 H new ATOM 0 HB2 LYS C 6 83.624 -18.451 0.127 1.00 0.00 H new ATOM 0 HB3 LYS C 6 82.357 -18.149 1.298 1.00 0.00 H new ATOM 0 HG2 LYS C 6 82.552 -16.937 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS C 6 81.391 -18.139 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS C 6 80.902 -16.255 0.926 1.00 0.00 H new ATOM 0 HD3 LYS C 6 81.504 -15.195 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS C 6 79.848 -16.670 -1.877 1.00 0.00 H new ATOM 0 HE3 LYS C 6 79.044 -16.952 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.169 -14.980 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 78.933 -14.546 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 79.712 -14.272 -1.475 1.00 0.00 H new ATOM 106 N ALA C 7 85.482 -17.198 2.448 1.00 0.00 N ATOM 107 CA ALA C 7 86.108 -17.518 3.729 1.00 0.00 C ATOM 108 C ALA C 7 86.535 -16.244 4.451 1.00 0.00 C ATOM 109 O ALA C 7 86.308 -16.087 5.651 1.00 0.00 O ATOM 110 CB ALA C 7 87.338 -18.403 3.517 1.00 0.00 C ATOM 0 H ALA C 7 86.082 -17.333 1.634 1.00 0.00 H new ATOM 0 HA ALA C 7 85.375 -18.050 4.335 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.792 -18.632 4.481 1.00 0.00 H new ATOM 0 HB2 ALA C 7 87.039 -19.330 3.027 1.00 0.00 H new ATOM 0 HB3 ALA C 7 88.060 -17.879 2.891 1.00 0.00 H new ATOM 116 N ALA C 8 87.160 -15.335 3.707 1.00 0.00 N ATOM 117 CA ALA C 8 87.621 -14.076 4.287 1.00 0.00 C ATOM 118 C ALA C 8 86.434 -13.211 4.700 1.00 0.00 C ATOM 119 O ALA C 8 86.521 -12.418 5.637 1.00 0.00 O ATOM 120 CB ALA C 8 88.474 -13.302 3.279 1.00 0.00 C ATOM 0 H ALA C 8 87.357 -15.444 2.712 1.00 0.00 H new ATOM 0 HA ALA C 8 88.221 -14.312 5.166 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.809 -12.367 3.728 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.341 -13.901 3.000 1.00 0.00 H new ATOM 0 HB3 ALA C 8 87.881 -13.086 2.390 1.00 0.00 H new ATOM 126 N VAL C 9 85.323 -13.373 3.987 1.00 0.00 N ATOM 127 CA VAL C 9 84.117 -12.602 4.283 1.00 0.00 C ATOM 128 C VAL C 9 83.311 -13.278 5.385 1.00 0.00 C ATOM 129 O VAL C 9 82.575 -12.628 6.128 1.00 0.00 O ATOM 130 CB VAL C 9 83.241 -12.486 3.038 1.00 0.00 C ATOM 131 CG1 VAL C 9 83.911 -11.568 2.016 1.00 0.00 C ATOM 132 CG2 VAL C 9 83.050 -13.868 2.432 1.00 0.00 C ATOM 0 H VAL C 9 85.231 -14.024 3.207 1.00 0.00 H new ATOM 0 HA VAL C 9 84.425 -11.609 4.610 1.00 0.00 H new ATOM 0 HB VAL C 9 82.273 -12.067 3.313 1.00 0.00 H new ATOM 0 HG11 VAL C 9 83.281 -11.489 1.130 1.00 0.00 H new ATOM 0 HG12 VAL C 9 84.050 -10.579 2.452 1.00 0.00 H new ATOM 0 HG13 VAL C 9 84.880 -11.981 1.737 1.00 0.00 H new ATOM 0 HG21 VAL C 9 82.425 -13.792 1.542 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.020 -14.283 2.159 1.00 0.00 H new ATOM 0 HG23 VAL C 9 82.568 -14.521 3.159 1.00 0.00 H new ATOM 142 N GLU C 10 83.463 -14.594 5.483 1.00 0.00 N ATOM 143 CA GLU C 10 82.748 -15.360 6.498 1.00 0.00 C ATOM 144 C GLU C 10 83.257 -14.978 7.880 1.00 0.00 C ATOM 145 O GLU C 10 82.488 -14.584 8.756 1.00 0.00 O ATOM 146 CB GLU C 10 82.948 -16.861 6.286 1.00 0.00 C ATOM 147 CG GLU C 10 81.849 -17.397 5.367 1.00 0.00 C ATOM 148 CD GLU C 10 80.810 -18.145 6.197 1.00 0.00 C ATOM 149 OE1 GLU C 10 81.169 -19.143 6.798 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.672 -17.707 6.220 1.00 0.00 O ATOM 0 H GLU C 10 84.069 -15.149 4.878 1.00 0.00 H new ATOM 0 HA GLU C 10 81.685 -15.131 6.416 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.928 -17.050 5.847 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.922 -17.381 7.244 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.377 -16.575 4.829 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.279 -18.062 4.618 1.00 0.00 H new ATOM 157 N GLN C 11 84.569 -15.081 8.053 1.00 0.00 N ATOM 158 CA GLN C 11 85.191 -14.725 9.322 1.00 0.00 C ATOM 159 C GLN C 11 84.532 -13.475 9.879 1.00 0.00 C ATOM 160 O GLN C 11 84.173 -13.402 11.053 1.00 0.00 O ATOM 161 CB GLN C 11 86.671 -14.424 9.110 1.00 0.00 C ATOM 162 CG GLN C 11 87.454 -15.733 8.986 1.00 0.00 C ATOM 163 CD GLN C 11 88.848 -15.550 9.579 1.00 0.00 C ATOM 164 OE1 GLN C 11 89.262 -14.430 9.876 1.00 0.00 O ATOM 165 NE2 GLN C 11 89.606 -16.596 9.769 1.00 0.00 N ATOM 0 H GLN C 11 85.219 -15.406 7.337 1.00 0.00 H new ATOM 0 HA GLN C 11 85.073 -15.559 10.013 1.00 0.00 H new ATOM 0 HB2 GLN C 11 86.804 -13.823 8.210 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.055 -13.837 9.944 1.00 0.00 H new ATOM 0 HG2 GLN C 11 86.928 -16.534 9.506 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.528 -16.027 7.939 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.264 -17.525 9.523 1.00 0.00 H new ATOM 0 HE22 GLN C 11 90.540 -16.484 10.163 1.00 0.00 H new ATOM 174 N LEU C 12 84.394 -12.490 9.004 1.00 0.00 N ATOM 175 CA LEU C 12 83.795 -11.220 9.377 1.00 0.00 C ATOM 176 C LEU C 12 82.543 -11.428 10.222 1.00 0.00 C ATOM 177 O LEU C 12 81.594 -12.089 9.802 1.00 0.00 O ATOM 178 CB LEU C 12 83.420 -10.430 8.124 1.00 0.00 C ATOM 179 CG LEU C 12 84.660 -10.255 7.246 1.00 0.00 C ATOM 180 CD1 LEU C 12 84.374 -9.221 6.156 1.00 0.00 C ATOM 181 CD2 LEU C 12 85.832 -9.778 8.109 1.00 0.00 C ATOM 0 H LEU C 12 84.690 -12.547 8.029 1.00 0.00 H new ATOM 0 HA LEU C 12 84.529 -10.667 9.963 1.00 0.00 H new ATOM 0 HB2 LEU C 12 82.640 -10.953 7.571 1.00 0.00 H new ATOM 0 HB3 LEU C 12 83.016 -9.456 8.401 1.00 0.00 H new ATOM 0 HG LEU C 12 84.914 -11.208 6.782 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.258 -9.097 5.531 1.00 0.00 H new ATOM 0 HD12 LEU C 12 83.540 -9.561 5.542 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.119 -8.267 6.617 1.00 0.00 H new ATOM 0 HD21 LEU C 12 86.716 -9.653 7.484 1.00 0.00 H new ATOM 0 HD22 LEU C 12 85.578 -8.825 8.573 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.037 -10.516 8.884 1.00 0.00 H new ATOM 193 N THR C 13 82.550 -10.843 11.416 1.00 0.00 N ATOM 194 CA THR C 13 81.405 -10.956 12.312 1.00 0.00 C ATOM 195 C THR C 13 80.409 -9.840 12.020 1.00 0.00 C ATOM 196 O THR C 13 80.780 -8.773 11.531 1.00 0.00 O ATOM 197 CB THR C 13 81.853 -10.864 13.772 1.00 0.00 C ATOM 198 OG1 THR C 13 82.748 -9.771 13.922 1.00 0.00 O ATOM 199 CG2 THR C 13 82.557 -12.162 14.173 1.00 0.00 C ATOM 0 H THR C 13 83.326 -10.292 11.782 1.00 0.00 H new ATOM 0 HA THR C 13 80.933 -11.924 12.147 1.00 0.00 H new ATOM 0 HB THR C 13 80.984 -10.712 14.412 1.00 0.00 H new ATOM 0 HG1 THR C 13 82.973 -9.660 14.869 1.00 0.00 H new ATOM 0 HG21 THR C 13 82.876 -12.096 15.213 1.00 0.00 H new ATOM 0 HG22 THR C 13 81.869 -13.000 14.057 1.00 0.00 H new ATOM 0 HG23 THR C 13 83.428 -12.316 13.535 1.00 0.00 H new ATOM 207 N GLU C 14 79.139 -10.097 12.317 1.00 0.00 N ATOM 208 CA GLU C 14 78.097 -9.104 12.072 1.00 0.00 C ATOM 209 C GLU C 14 78.608 -7.698 12.376 1.00 0.00 C ATOM 210 O GLU C 14 78.176 -6.720 11.765 1.00 0.00 O ATOM 211 CB GLU C 14 76.868 -9.388 12.938 1.00 0.00 C ATOM 212 CG GLU C 14 77.276 -9.423 14.411 1.00 0.00 C ATOM 213 CD GLU C 14 76.154 -10.047 15.234 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.003 -9.803 14.910 1.00 0.00 O ATOM 215 OE2 GLU C 14 76.462 -10.760 16.175 1.00 0.00 O ATOM 0 H GLU C 14 78.808 -10.973 12.723 1.00 0.00 H new ATOM 0 HA GLU C 14 77.820 -9.166 11.020 1.00 0.00 H new ATOM 0 HB2 GLU C 14 76.112 -8.619 12.778 1.00 0.00 H new ATOM 0 HB3 GLU C 14 76.421 -10.340 12.651 1.00 0.00 H new ATOM 0 HG2 GLU C 14 78.194 -9.999 14.532 1.00 0.00 H new ATOM 0 HG3 GLU C 14 77.484 -8.414 14.766 1.00 0.00 H new ATOM 222 N GLU C 15 79.534 -7.605 13.328 1.00 0.00 N ATOM 223 CA GLU C 15 80.096 -6.310 13.706 1.00 0.00 C ATOM 224 C GLU C 15 80.772 -5.646 12.511 1.00 0.00 C ATOM 225 O GLU C 15 80.245 -4.696 11.931 1.00 0.00 O ATOM 226 CB GLU C 15 81.124 -6.472 14.826 1.00 0.00 C ATOM 227 CG GLU C 15 80.481 -7.198 16.009 1.00 0.00 C ATOM 228 CD GLU C 15 81.549 -7.974 16.772 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.222 -8.782 16.153 1.00 0.00 O ATOM 230 OE2 GLU C 15 81.680 -7.749 17.964 1.00 0.00 O ATOM 0 H GLU C 15 79.908 -8.400 13.846 1.00 0.00 H new ATOM 0 HA GLU C 15 79.274 -5.684 14.054 1.00 0.00 H new ATOM 0 HB2 GLU C 15 81.985 -7.035 14.465 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.491 -5.495 15.141 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.996 -6.480 16.670 1.00 0.00 H new ATOM 0 HG3 GLU C 15 79.706 -7.878 15.654 1.00 0.00 H new ATOM 237 N GLN C 16 81.951 -6.149 12.152 1.00 0.00 N ATOM 238 CA GLN C 16 82.690 -5.585 11.028 1.00 0.00 C ATOM 239 C GLN C 16 81.781 -5.466 9.807 1.00 0.00 C ATOM 240 O GLN C 16 81.934 -4.565 8.983 1.00 0.00 O ATOM 241 CB GLN C 16 83.910 -6.456 10.685 1.00 0.00 C ATOM 242 CG GLN C 16 83.493 -7.624 9.786 1.00 0.00 C ATOM 243 CD GLN C 16 83.697 -7.235 8.325 1.00 0.00 C ATOM 244 OE1 GLN C 16 82.731 -7.052 7.584 1.00 0.00 O ATOM 245 NE2 GLN C 16 84.910 -7.095 7.863 1.00 0.00 N ATOM 0 H GLN C 16 82.409 -6.934 12.616 1.00 0.00 H new ATOM 0 HA GLN C 16 83.040 -4.593 11.314 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.666 -5.853 10.182 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.363 -6.836 11.601 1.00 0.00 H new ATOM 0 HG2 GLN C 16 84.083 -8.509 10.024 1.00 0.00 H new ATOM 0 HG3 GLN C 16 82.448 -7.879 9.964 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.710 -7.247 8.477 1.00 0.00 H new ATOM 0 HE22 GLN C 16 85.057 -6.834 6.888 1.00 0.00 H new ATOM 254 N LYS C 17 80.831 -6.391 9.705 1.00 0.00 N ATOM 255 CA LYS C 17 79.897 -6.387 8.584 1.00 0.00 C ATOM 256 C LYS C 17 78.981 -5.170 8.661 1.00 0.00 C ATOM 257 O LYS C 17 78.469 -4.695 7.647 1.00 0.00 O ATOM 258 CB LYS C 17 79.044 -7.657 8.593 1.00 0.00 C ATOM 259 CG LYS C 17 78.851 -8.149 7.157 1.00 0.00 C ATOM 260 CD LYS C 17 80.089 -8.933 6.718 1.00 0.00 C ATOM 261 CE LYS C 17 79.661 -10.281 6.136 1.00 0.00 C ATOM 262 NZ LYS C 17 80.202 -10.420 4.755 1.00 0.00 N ATOM 0 H LYS C 17 80.688 -7.145 10.377 1.00 0.00 H new ATOM 0 HA LYS C 17 80.476 -6.348 7.662 1.00 0.00 H new ATOM 0 HB2 LYS C 17 79.527 -8.429 9.192 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.077 -7.456 9.053 1.00 0.00 H new ATOM 0 HG2 LYS C 17 77.965 -8.781 7.093 1.00 0.00 H new ATOM 0 HG3 LYS C 17 78.687 -7.303 6.490 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.647 -8.365 5.974 1.00 0.00 H new ATOM 0 HD3 LYS C 17 80.755 -9.087 7.567 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.026 -11.093 6.765 1.00 0.00 H new ATOM 0 HE3 LYS C 17 78.574 -10.354 6.121 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 79.911 -11.337 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 79.833 -9.652 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 81.240 -10.368 4.782 1.00 0.00 H new ATOM 276 N ASN C 18 78.785 -4.668 9.877 1.00 0.00 N ATOM 277 CA ASN C 18 77.933 -3.500 10.079 1.00 0.00 C ATOM 278 C ASN C 18 78.667 -2.236 9.649 1.00 0.00 C ATOM 279 O ASN C 18 78.169 -1.458 8.834 1.00 0.00 O ATOM 280 CB ASN C 18 77.538 -3.372 11.552 1.00 0.00 C ATOM 281 CG ASN C 18 76.698 -4.578 11.959 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.230 -5.333 11.107 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.476 -4.805 13.224 1.00 0.00 N ATOM 0 H ASN C 18 79.199 -5.046 10.729 1.00 0.00 H new ATOM 0 HA ASN C 18 77.034 -3.626 9.476 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.430 -3.310 12.175 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.974 -2.453 11.710 1.00 0.00 H new ATOM 0 HD21 ASN C 18 75.915 -5.608 13.507 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.864 -4.179 13.930 1.00 0.00 H new ATOM 290 N GLU C 19 79.861 -2.041 10.200 1.00 0.00 N ATOM 291 CA GLU C 19 80.660 -0.869 9.859 1.00 0.00 C ATOM 292 C GLU C 19 80.752 -0.724 8.345 1.00 0.00 C ATOM 293 O GLU C 19 80.872 0.381 7.816 1.00 0.00 O ATOM 294 CB GLU C 19 82.071 -0.990 10.437 1.00 0.00 C ATOM 295 CG GLU C 19 82.632 -2.380 10.136 1.00 0.00 C ATOM 296 CD GLU C 19 84.086 -2.450 10.589 1.00 0.00 C ATOM 297 OE1 GLU C 19 84.369 -1.987 11.682 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.896 -2.965 9.836 1.00 0.00 O ATOM 0 H GLU C 19 80.293 -2.671 10.876 1.00 0.00 H new ATOM 0 HA GLU C 19 80.175 0.009 10.285 1.00 0.00 H new ATOM 0 HB2 GLU C 19 82.718 -0.225 10.007 1.00 0.00 H new ATOM 0 HB3 GLU C 19 82.049 -0.821 11.514 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.043 -3.140 10.649 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.562 -2.589 9.068 1.00 0.00 H new ATOM 305 N PHE C 20 80.687 -1.858 7.654 1.00 0.00 N ATOM 306 CA PHE C 20 80.756 -1.857 6.196 1.00 0.00 C ATOM 307 C PHE C 20 79.410 -1.450 5.609 1.00 0.00 C ATOM 308 O PHE C 20 79.282 -0.399 4.981 1.00 0.00 O ATOM 309 CB PHE C 20 81.127 -3.246 5.674 1.00 0.00 C ATOM 310 CG PHE C 20 82.610 -3.299 5.396 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.194 -2.360 4.538 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.401 -4.286 5.997 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.569 -2.408 4.280 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.776 -4.334 5.739 1.00 0.00 C ATOM 315 CZ PHE C 20 85.360 -3.394 4.881 1.00 0.00 C ATOM 0 H PHE C 20 80.588 -2.782 8.075 1.00 0.00 H new ATOM 0 HA PHE C 20 81.522 -1.143 5.893 1.00 0.00 H new ATOM 0 HB2 PHE C 20 80.856 -4.006 6.407 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.568 -3.466 4.765 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.584 -1.599 4.075 1.00 0.00 H new ATOM 0 HD2 PHE C 20 82.950 -5.010 6.659 1.00 0.00 H new ATOM 0 HE1 PHE C 20 85.020 -1.684 3.617 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.386 -5.096 6.201 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.421 -3.430 4.683 1.00 0.00 H new ATOM 325 N LYS C 21 78.404 -2.293 5.828 1.00 0.00 N ATOM 326 CA LYS C 21 77.065 -2.009 5.322 1.00 0.00 C ATOM 327 C LYS C 21 76.709 -0.551 5.587 1.00 0.00 C ATOM 328 O LYS C 21 76.264 0.167 4.692 1.00 0.00 O ATOM 329 CB LYS C 21 76.032 -2.913 5.997 1.00 0.00 C ATOM 330 CG LYS C 21 76.373 -4.377 5.708 1.00 0.00 C ATOM 331 CD LYS C 21 75.225 -5.027 4.933 1.00 0.00 C ATOM 332 CE LYS C 21 75.088 -6.491 5.353 1.00 0.00 C ATOM 333 NZ LYS C 21 73.846 -6.663 6.158 1.00 0.00 N ATOM 0 H LYS C 21 78.489 -3.168 6.346 1.00 0.00 H new ATOM 0 HA LYS C 21 77.055 -2.200 4.249 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.024 -2.735 7.072 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.033 -2.681 5.628 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.296 -4.439 5.131 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.544 -4.912 6.642 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.294 -4.494 5.127 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.413 -4.961 3.861 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.054 -7.132 4.472 1.00 0.00 H new ATOM 0 HE3 LYS C 21 75.957 -6.796 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 73.753 -7.659 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 73.896 -6.063 7.006 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 73.021 -6.388 5.587 1.00 0.00 H new ATOM 347 N ALA C 22 76.924 -0.118 6.828 1.00 0.00 N ATOM 348 CA ALA C 22 76.639 1.265 7.200 1.00 0.00 C ATOM 349 C ALA C 22 77.416 2.209 6.292 1.00 0.00 C ATOM 350 O ALA C 22 76.870 3.177 5.765 1.00 0.00 O ATOM 351 CB ALA C 22 77.031 1.522 8.658 1.00 0.00 C ATOM 0 H ALA C 22 77.290 -0.697 7.584 1.00 0.00 H new ATOM 0 HA ALA C 22 75.569 1.442 7.088 1.00 0.00 H new ATOM 0 HB1 ALA C 22 76.811 2.558 8.917 1.00 0.00 H new ATOM 0 HB2 ALA C 22 76.464 0.857 9.310 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.097 1.334 8.787 1.00 0.00 H new ATOM 357 N ALA C 23 78.696 1.904 6.101 1.00 0.00 N ATOM 358 CA ALA C 23 79.536 2.724 5.237 1.00 0.00 C ATOM 359 C ALA C 23 79.024 2.654 3.802 1.00 0.00 C ATOM 360 O ALA C 23 79.219 3.576 3.010 1.00 0.00 O ATOM 361 CB ALA C 23 80.986 2.243 5.281 1.00 0.00 C ATOM 0 H ALA C 23 79.168 1.106 6.526 1.00 0.00 H new ATOM 0 HA ALA C 23 79.495 3.753 5.593 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.597 2.868 4.629 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.360 2.309 6.303 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.036 1.208 4.942 1.00 0.00 H new ATOM 367 N PHE C 24 78.351 1.550 3.482 1.00 0.00 N ATOM 368 CA PHE C 24 77.796 1.368 2.143 1.00 0.00 C ATOM 369 C PHE C 24 76.732 2.428 1.881 1.00 0.00 C ATOM 370 O PHE C 24 76.499 2.830 0.742 1.00 0.00 O ATOM 371 CB PHE C 24 77.159 -0.017 2.006 1.00 0.00 C ATOM 372 CG PHE C 24 77.883 -0.808 0.942 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.030 -0.279 -0.346 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.404 -2.072 1.243 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.699 -1.013 -1.332 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.073 -2.807 0.257 1.00 0.00 C ATOM 377 CZ PHE C 24 79.221 -2.277 -1.031 1.00 0.00 C ATOM 0 H PHE C 24 78.178 0.776 4.124 1.00 0.00 H new ATOM 0 HA PHE C 24 78.606 1.462 1.420 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.204 -0.544 2.959 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.105 0.081 1.746 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.627 0.696 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.290 -2.480 2.236 1.00 0.00 H new ATOM 0 HE1 PHE C 24 78.813 -0.604 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE C 24 79.475 -3.782 0.489 1.00 0.00 H new ATOM 0 HZ PHE C 24 79.738 -2.843 -1.792 1.00 0.00 H new ATOM 387 N ASP C 25 76.095 2.876 2.959 1.00 0.00 N ATOM 388 CA ASP C 25 75.056 3.896 2.854 1.00 0.00 C ATOM 389 C ASP C 25 75.682 5.285 2.748 1.00 0.00 C ATOM 390 O ASP C 25 74.979 6.291 2.652 1.00 0.00 O ATOM 391 CB ASP C 25 74.143 3.857 4.081 1.00 0.00 C ATOM 392 CG ASP C 25 72.799 3.251 3.694 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.751 2.049 3.485 1.00 0.00 O ATOM 394 OD2 ASP C 25 71.837 3.997 3.611 1.00 0.00 O ATOM 0 H ASP C 25 76.278 2.552 3.909 1.00 0.00 H new ATOM 0 HA ASP C 25 74.471 3.690 1.958 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.605 3.268 4.873 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.001 4.864 4.474 1.00 0.00 H new ATOM 399 N ILE C 26 77.012 5.327 2.759 1.00 0.00 N ATOM 400 CA ILE C 26 77.725 6.598 2.656 1.00 0.00 C ATOM 401 C ILE C 26 78.525 6.633 1.360 1.00 0.00 C ATOM 402 O ILE C 26 78.450 7.591 0.590 1.00 0.00 O ATOM 403 CB ILE C 26 78.683 6.807 3.835 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.436 5.749 4.920 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.462 8.204 4.419 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.184 6.099 5.727 1.00 0.00 C ATOM 0 H ILE C 26 77.612 4.506 2.837 1.00 0.00 H new ATOM 0 HA ILE C 26 76.982 7.396 2.669 1.00 0.00 H new ATOM 0 HB ILE C 26 79.710 6.710 3.482 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.318 4.768 4.461 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.299 5.689 5.583 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.140 8.359 5.258 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.656 8.954 3.652 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.432 8.296 4.763 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.021 5.341 6.493 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.317 7.071 6.202 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.321 6.135 5.062 1.00 0.00 H new ATOM 418 N PHE C 27 79.287 5.566 1.126 1.00 0.00 N ATOM 419 CA PHE C 27 80.096 5.468 -0.086 1.00 0.00 C ATOM 420 C PHE C 27 79.214 5.661 -1.312 1.00 0.00 C ATOM 421 O PHE C 27 79.576 6.362 -2.257 1.00 0.00 O ATOM 422 CB PHE C 27 80.769 4.096 -0.172 1.00 0.00 C ATOM 423 CG PHE C 27 82.034 4.094 0.652 1.00 0.00 C ATOM 424 CD1 PHE C 27 81.974 4.326 2.032 1.00 0.00 C ATOM 425 CD2 PHE C 27 83.268 3.853 0.037 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.148 4.316 2.795 1.00 0.00 C ATOM 427 CE2 PHE C 27 84.442 3.845 0.800 1.00 0.00 C ATOM 428 CZ PHE C 27 84.382 4.076 2.179 1.00 0.00 C ATOM 0 H PHE C 27 79.361 4.765 1.753 1.00 0.00 H new ATOM 0 HA PHE C 27 80.861 6.243 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE C 27 80.089 3.324 0.188 1.00 0.00 H new ATOM 0 HB3 PHE C 27 81.000 3.859 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE C 27 81.022 4.513 2.507 1.00 0.00 H new ATOM 0 HD2 PHE C 27 83.315 3.673 -1.027 1.00 0.00 H new ATOM 0 HE1 PHE C 27 83.102 4.494 3.859 1.00 0.00 H new ATOM 0 HE2 PHE C 27 85.394 3.661 0.324 1.00 0.00 H new ATOM 0 HZ PHE C 27 85.287 4.069 2.768 1.00 0.00 H new ATOM 438 N VAL C 28 78.044 5.032 -1.277 1.00 0.00 N ATOM 439 CA VAL C 28 77.092 5.134 -2.377 1.00 0.00 C ATOM 440 C VAL C 28 75.790 5.739 -1.871 1.00 0.00 C ATOM 441 O VAL C 28 74.698 5.305 -2.238 1.00 0.00 O ATOM 442 CB VAL C 28 76.806 3.754 -2.968 1.00 0.00 C ATOM 443 CG1 VAL C 28 78.104 3.151 -3.508 1.00 0.00 C ATOM 444 CG2 VAL C 28 76.239 2.845 -1.875 1.00 0.00 C ATOM 0 H VAL C 28 77.733 4.448 -0.501 1.00 0.00 H new ATOM 0 HA VAL C 28 77.523 5.770 -3.150 1.00 0.00 H new ATOM 0 HB VAL C 28 76.084 3.846 -3.780 1.00 0.00 H new ATOM 0 HG11 VAL C 28 77.900 2.167 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL C 28 78.512 3.800 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.826 3.056 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL C 28 76.033 1.859 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.964 2.753 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL C 28 75.315 3.275 -1.487 1.00 0.00 H new ATOM 454 N LEU C 29 75.925 6.745 -1.013 1.00 0.00 N ATOM 455 CA LEU C 29 74.763 7.415 -0.440 1.00 0.00 C ATOM 456 C LEU C 29 74.045 8.257 -1.498 1.00 0.00 C ATOM 457 O LEU C 29 72.991 8.837 -1.240 1.00 0.00 O ATOM 458 CB LEU C 29 75.198 8.292 0.747 1.00 0.00 C ATOM 459 CG LEU C 29 75.511 9.718 0.286 1.00 0.00 C ATOM 460 CD1 LEU C 29 75.920 10.568 1.490 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.655 9.691 -0.730 1.00 0.00 C ATOM 0 H LEU C 29 76.823 7.113 -0.700 1.00 0.00 H new ATOM 0 HA LEU C 29 74.064 6.659 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU C 29 74.408 8.313 1.498 1.00 0.00 H new ATOM 0 HB3 LEU C 29 76.078 7.858 1.222 1.00 0.00 H new ATOM 0 HG LEU C 29 74.624 10.149 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU C 29 76.143 11.583 1.160 1.00 0.00 H new ATOM 0 HD12 LEU C 29 75.104 10.592 2.212 1.00 0.00 H new ATOM 0 HD13 LEU C 29 76.805 10.136 1.957 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.876 10.707 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU C 29 77.542 9.258 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.363 9.089 -1.590 1.00 0.00 H new ATOM 473 N GLY C 30 74.627 8.308 -2.694 1.00 0.00 N ATOM 474 CA GLY C 30 74.037 9.071 -3.790 1.00 0.00 C ATOM 475 C GLY C 30 74.049 8.254 -5.078 1.00 0.00 C ATOM 476 O GLY C 30 73.849 8.784 -6.170 1.00 0.00 O ATOM 0 H GLY C 30 75.500 7.834 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY C 30 73.013 9.348 -3.538 1.00 0.00 H new ATOM 0 HA3 GLY C 30 74.592 9.998 -3.935 1.00 0.00 H new ATOM 480 N ALA C 31 74.289 6.952 -4.933 1.00 0.00 N ATOM 481 CA ALA C 31 74.331 6.058 -6.087 1.00 0.00 C ATOM 482 C ALA C 31 72.962 5.436 -6.333 1.00 0.00 C ATOM 483 O ALA C 31 71.942 5.929 -5.853 1.00 0.00 O ATOM 484 CB ALA C 31 75.352 4.943 -5.860 1.00 0.00 C ATOM 0 H ALA C 31 74.456 6.496 -4.036 1.00 0.00 H new ATOM 0 HA ALA C 31 74.621 6.646 -6.957 1.00 0.00 H new ATOM 0 HB1 ALA C 31 75.371 4.285 -6.729 1.00 0.00 H new ATOM 0 HB2 ALA C 31 76.340 5.379 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA C 31 75.073 4.369 -4.976 1.00 0.00 H new ATOM 490 N GLU C 32 72.955 4.349 -7.096 1.00 0.00 N ATOM 491 CA GLU C 32 71.709 3.662 -7.415 1.00 0.00 C ATOM 492 C GLU C 32 71.528 2.432 -6.529 1.00 0.00 C ATOM 493 O GLU C 32 70.652 2.398 -5.665 1.00 0.00 O ATOM 494 CB GLU C 32 71.706 3.236 -8.881 1.00 0.00 C ATOM 495 CG GLU C 32 70.271 3.243 -9.413 1.00 0.00 C ATOM 496 CD GLU C 32 70.186 4.147 -10.637 1.00 0.00 C ATOM 497 OE1 GLU C 32 70.069 5.348 -10.456 1.00 0.00 O ATOM 498 OE2 GLU C 32 70.239 3.626 -11.739 1.00 0.00 O ATOM 0 H GLU C 32 73.790 3.927 -7.502 1.00 0.00 H new ATOM 0 HA GLU C 32 70.884 4.351 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU C 32 72.326 3.913 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU C 32 72.138 2.240 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.964 2.230 -9.674 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.587 3.594 -8.640 1.00 0.00 H new ATOM 505 N ASP C 33 72.364 1.421 -6.752 1.00 0.00 N ATOM 506 CA ASP C 33 72.279 0.194 -5.962 1.00 0.00 C ATOM 507 C ASP C 33 73.356 0.176 -4.881 1.00 0.00 C ATOM 508 O ASP C 33 73.056 0.218 -3.688 1.00 0.00 O ATOM 509 CB ASP C 33 72.443 -1.042 -6.852 1.00 0.00 C ATOM 510 CG ASP C 33 73.426 -0.742 -7.979 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.190 0.208 -8.706 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.399 -1.468 -8.098 1.00 0.00 O ATOM 0 H ASP C 33 73.097 1.424 -7.461 1.00 0.00 H new ATOM 0 HA ASP C 33 71.294 0.171 -5.495 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.802 -1.883 -6.259 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.478 -1.333 -7.267 1.00 0.00 H new ATOM 517 N GLY C 34 74.614 0.113 -5.309 1.00 0.00 N ATOM 518 CA GLY C 34 75.725 0.090 -4.362 1.00 0.00 C ATOM 519 C GLY C 34 77.052 0.336 -5.069 1.00 0.00 C ATOM 520 O GLY C 34 78.097 -0.162 -4.649 1.00 0.00 O ATOM 0 H GLY C 34 74.887 0.077 -6.291 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.571 0.850 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.753 -0.873 -3.853 1.00 0.00 H new ATOM 524 N CYS C 35 77.002 1.113 -6.146 1.00 0.00 N ATOM 525 CA CYS C 35 78.210 1.422 -6.904 1.00 0.00 C ATOM 526 C CYS C 35 78.842 2.711 -6.386 1.00 0.00 C ATOM 527 O CYS C 35 78.150 3.693 -6.118 1.00 0.00 O ATOM 528 CB CYS C 35 77.885 1.585 -8.389 1.00 0.00 C ATOM 529 SG CYS C 35 76.654 0.351 -8.877 1.00 0.00 S ATOM 0 H CYS C 35 76.149 1.536 -6.511 1.00 0.00 H new ATOM 0 HA CYS C 35 78.910 0.596 -6.778 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.505 2.589 -8.581 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.790 1.467 -8.985 1.00 0.00 H new ATOM 0 HG CYS C 35 76.376 0.491 -10.139 1.00 0.00 H new ATOM 535 N ILE C 36 80.164 2.695 -6.246 1.00 0.00 N ATOM 536 CA ILE C 36 80.880 3.869 -5.756 1.00 0.00 C ATOM 537 C ILE C 36 81.522 4.625 -6.913 1.00 0.00 C ATOM 538 O ILE C 36 81.877 4.041 -7.936 1.00 0.00 O ATOM 539 CB ILE C 36 81.972 3.460 -4.768 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.470 2.299 -3.907 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.320 4.647 -3.868 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.534 1.940 -2.868 1.00 0.00 C ATOM 0 H ILE C 36 80.756 1.893 -6.462 1.00 0.00 H new ATOM 0 HA ILE C 36 80.158 4.513 -5.254 1.00 0.00 H new ATOM 0 HB ILE C 36 82.860 3.150 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.540 2.576 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE C 36 81.252 1.435 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.099 4.354 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.677 5.475 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.432 4.959 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE C 36 82.178 1.113 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE C 36 83.453 1.646 -3.375 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.730 2.805 -2.234 1.00 0.00 H new ATOM 554 N SER C 37 81.669 5.934 -6.735 1.00 0.00 N ATOM 555 CA SER C 37 82.275 6.769 -7.767 1.00 0.00 C ATOM 556 C SER C 37 83.313 7.700 -7.150 1.00 0.00 C ATOM 557 O SER C 37 83.228 8.057 -5.975 1.00 0.00 O ATOM 558 CB SER C 37 81.211 7.606 -8.476 1.00 0.00 C ATOM 559 OG SER C 37 80.033 6.827 -8.638 1.00 0.00 O ATOM 0 H SER C 37 81.380 6.436 -5.895 1.00 0.00 H new ATOM 0 HA SER C 37 82.757 6.113 -8.492 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.991 8.503 -7.897 1.00 0.00 H new ATOM 0 HB3 SER C 37 81.579 7.936 -9.447 1.00 0.00 H new ATOM 0 HG SER C 37 79.347 7.361 -9.091 1.00 0.00 H new ATOM 565 N THR C 38 84.295 8.088 -7.957 1.00 0.00 N ATOM 566 CA THR C 38 85.351 8.979 -7.480 1.00 0.00 C ATOM 567 C THR C 38 84.743 10.172 -6.755 1.00 0.00 C ATOM 568 O THR C 38 85.347 10.742 -5.847 1.00 0.00 O ATOM 569 CB THR C 38 86.204 9.491 -8.644 1.00 0.00 C ATOM 570 OG1 THR C 38 85.562 10.609 -9.242 1.00 0.00 O ATOM 571 CG2 THR C 38 86.377 8.386 -9.685 1.00 0.00 C ATOM 0 H THR C 38 84.383 7.805 -8.933 1.00 0.00 H new ATOM 0 HA THR C 38 85.983 8.410 -6.797 1.00 0.00 H new ATOM 0 HB THR C 38 87.184 9.787 -8.270 1.00 0.00 H new ATOM 0 HG1 THR C 38 86.107 10.940 -9.986 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.985 8.756 -10.511 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.870 7.529 -9.227 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.399 8.084 -10.061 1.00 0.00 H new ATOM 579 N LYS C 39 83.536 10.543 -7.171 1.00 0.00 N ATOM 580 CA LYS C 39 82.844 11.673 -6.557 1.00 0.00 C ATOM 581 C LYS C 39 82.223 11.257 -5.228 1.00 0.00 C ATOM 582 O LYS C 39 82.475 11.867 -4.189 1.00 0.00 O ATOM 583 CB LYS C 39 81.742 12.193 -7.481 1.00 0.00 C ATOM 584 CG LYS C 39 82.232 13.446 -8.208 1.00 0.00 C ATOM 585 CD LYS C 39 81.658 14.691 -7.527 1.00 0.00 C ATOM 586 CE LYS C 39 82.615 15.869 -7.719 1.00 0.00 C ATOM 587 NZ LYS C 39 82.761 16.161 -9.173 1.00 0.00 N ATOM 0 H LYS C 39 83.021 10.084 -7.922 1.00 0.00 H new ATOM 0 HA LYS C 39 83.575 12.463 -6.386 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.467 11.425 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS C 39 80.847 12.422 -6.903 1.00 0.00 H new ATOM 0 HG2 LYS C 39 83.321 13.483 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS C 39 81.924 13.416 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS C 39 80.682 14.930 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS C 39 81.509 14.500 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS C 39 82.236 16.748 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS C 39 83.587 15.636 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 83.256 17.067 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 83.309 15.402 -9.626 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 81.820 16.218 -9.612 1.00 0.00 H new ATOM 601 N GLU C 40 81.405 10.209 -5.274 1.00 0.00 N ATOM 602 CA GLU C 40 80.747 9.714 -4.068 1.00 0.00 C ATOM 603 C GLU C 40 81.768 9.499 -2.956 1.00 0.00 C ATOM 604 O GLU C 40 81.683 10.104 -1.887 1.00 0.00 O ATOM 605 CB GLU C 40 80.034 8.389 -4.350 1.00 0.00 C ATOM 606 CG GLU C 40 79.034 8.576 -5.493 1.00 0.00 C ATOM 607 CD GLU C 40 77.861 9.419 -5.008 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.844 9.756 -3.835 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.996 9.716 -5.816 1.00 0.00 O ATOM 0 H GLU C 40 81.183 9.690 -6.124 1.00 0.00 H new ATOM 0 HA GLU C 40 80.016 10.459 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.762 7.622 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.517 8.045 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU C 40 79.519 9.062 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.679 7.606 -5.842 1.00 0.00 H new ATOM 616 N LEU C 41 82.736 8.627 -3.221 1.00 0.00 N ATOM 617 CA LEU C 41 83.775 8.329 -2.239 1.00 0.00 C ATOM 618 C LEU C 41 84.348 9.618 -1.656 1.00 0.00 C ATOM 619 O LEU C 41 84.576 9.721 -0.451 1.00 0.00 O ATOM 620 CB LEU C 41 84.905 7.527 -2.886 1.00 0.00 C ATOM 621 CG LEU C 41 86.014 7.288 -1.862 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.415 6.661 -0.600 1.00 0.00 C ATOM 623 CD2 LEU C 41 87.056 6.339 -2.456 1.00 0.00 C ATOM 0 H LEU C 41 82.823 8.117 -4.100 1.00 0.00 H new ATOM 0 HA LEU C 41 83.324 7.742 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.524 6.574 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.301 8.066 -3.747 1.00 0.00 H new ATOM 0 HG LEU C 41 86.487 8.237 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.205 6.490 0.131 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.669 7.335 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.944 5.711 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.848 6.167 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.582 5.390 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.481 6.783 -3.356 1.00 0.00 H new ATOM 635 N GLY C 42 84.580 10.598 -2.524 1.00 0.00 N ATOM 636 CA GLY C 42 85.129 11.878 -2.084 1.00 0.00 C ATOM 637 C GLY C 42 84.345 12.426 -0.896 1.00 0.00 C ATOM 638 O GLY C 42 84.921 12.946 0.060 1.00 0.00 O ATOM 0 H GLY C 42 84.399 10.533 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.176 11.754 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.099 12.593 -2.906 1.00 0.00 H new ATOM 642 N LYS C 43 83.022 12.305 -0.968 1.00 0.00 N ATOM 643 CA LYS C 43 82.162 12.793 0.107 1.00 0.00 C ATOM 644 C LYS C 43 82.461 12.055 1.408 1.00 0.00 C ATOM 645 O LYS C 43 82.815 12.665 2.417 1.00 0.00 O ATOM 646 CB LYS C 43 80.688 12.593 -0.252 1.00 0.00 C ATOM 647 CG LYS C 43 80.181 13.814 -1.023 1.00 0.00 C ATOM 648 CD LYS C 43 79.187 13.364 -2.095 1.00 0.00 C ATOM 649 CE LYS C 43 78.021 14.353 -2.163 1.00 0.00 C ATOM 650 NZ LYS C 43 78.548 15.746 -2.190 1.00 0.00 N ATOM 0 H LYS C 43 82.526 11.878 -1.750 1.00 0.00 H new ATOM 0 HA LYS C 43 82.362 13.856 0.239 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.568 11.693 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.098 12.450 0.653 1.00 0.00 H new ATOM 0 HG2 LYS C 43 79.702 14.516 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS C 43 81.017 14.339 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS C 43 79.684 13.305 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.817 12.365 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS C 43 77.421 14.163 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS C 43 77.366 14.218 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 77.901 16.351 -2.735 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 78.624 16.107 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 79.487 15.753 -2.636 1.00 0.00 H new ATOM 664 N VAL C 44 82.316 10.733 1.374 1.00 0.00 N ATOM 665 CA VAL C 44 82.575 9.919 2.558 1.00 0.00 C ATOM 666 C VAL C 44 83.946 10.245 3.139 1.00 0.00 C ATOM 667 O VAL C 44 84.074 10.578 4.317 1.00 0.00 O ATOM 668 CB VAL C 44 82.525 8.431 2.208 1.00 0.00 C ATOM 669 CG1 VAL C 44 82.769 7.601 3.470 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.150 8.090 1.632 1.00 0.00 C ATOM 0 H VAL C 44 82.024 10.208 0.550 1.00 0.00 H new ATOM 0 HA VAL C 44 81.804 10.144 3.295 1.00 0.00 H new ATOM 0 HB VAL C 44 83.295 8.205 1.470 1.00 0.00 H new ATOM 0 HG11 VAL C 44 82.733 6.541 3.221 1.00 0.00 H new ATOM 0 HG12 VAL C 44 83.749 7.844 3.882 1.00 0.00 H new ATOM 0 HG13 VAL C 44 81.999 7.826 4.208 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.113 7.030 1.382 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.380 8.316 2.370 1.00 0.00 H new ATOM 0 HG23 VAL C 44 80.975 8.681 0.733 1.00 0.00 H new ATOM 680 N MET C 45 84.971 10.144 2.297 1.00 0.00 N ATOM 681 CA MET C 45 86.332 10.431 2.737 1.00 0.00 C ATOM 682 C MET C 45 86.350 11.670 3.624 1.00 0.00 C ATOM 683 O MET C 45 86.812 11.630 4.764 1.00 0.00 O ATOM 684 CB MET C 45 87.249 10.665 1.535 1.00 0.00 C ATOM 685 CG MET C 45 87.507 9.336 0.825 1.00 0.00 C ATOM 686 SD MET C 45 89.127 8.694 1.315 1.00 0.00 S ATOM 687 CE MET C 45 88.610 7.938 2.876 1.00 0.00 C ATOM 0 H MET C 45 84.887 9.869 1.318 1.00 0.00 H new ATOM 0 HA MET C 45 86.692 9.571 3.302 1.00 0.00 H new ATOM 0 HB2 MET C 45 86.790 11.374 0.846 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.192 11.103 1.863 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.727 8.618 1.080 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.471 9.476 -0.255 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.370 7.230 3.206 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.484 8.713 3.632 1.00 0.00 H new ATOM 0 HE3 MET C 45 87.665 7.415 2.731 1.00 0.00 H new ATOM 697 N ARG C 46 85.836 12.772 3.088 1.00 0.00 N ATOM 698 CA ARG C 46 85.793 14.021 3.841 1.00 0.00 C ATOM 699 C ARG C 46 85.091 13.805 5.176 1.00 0.00 C ATOM 700 O ARG C 46 85.373 14.484 6.162 1.00 0.00 O ATOM 701 CB ARG C 46 85.046 15.097 3.053 1.00 0.00 C ATOM 702 CG ARG C 46 85.619 16.469 3.403 1.00 0.00 C ATOM 703 CD ARG C 46 85.120 17.504 2.393 1.00 0.00 C ATOM 704 NE ARG C 46 86.056 18.620 2.297 1.00 0.00 N ATOM 705 CZ ARG C 46 85.831 19.633 1.466 1.00 0.00 C ATOM 706 NH1 ARG C 46 84.765 19.635 0.714 1.00 0.00 N ATOM 707 NH2 ARG C 46 86.679 20.622 1.400 1.00 0.00 N ATOM 0 H ARG C 46 85.448 12.827 2.146 1.00 0.00 H new ATOM 0 HA ARG C 46 86.818 14.349 4.014 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.142 14.913 1.983 1.00 0.00 H new ATOM 0 HB3 ARG C 46 83.982 15.064 3.288 1.00 0.00 H new ATOM 0 HG2 ARG C 46 85.318 16.754 4.411 1.00 0.00 H new ATOM 0 HG3 ARG C 46 86.708 16.433 3.394 1.00 0.00 H new ATOM 0 HD2 ARG C 46 85.000 17.038 1.415 1.00 0.00 H new ATOM 0 HD3 ARG C 46 84.138 17.870 2.694 1.00 0.00 H new ATOM 0 HE ARG C 46 86.895 18.623 2.876 1.00 0.00 H new ATOM 0 HH11 ARG C 46 84.104 18.859 0.764 1.00 0.00 H new ATOM 0 HH12 ARG C 46 84.592 20.412 0.076 1.00 0.00 H new ATOM 0 HH21 ARG C 46 87.514 20.618 1.986 1.00 0.00 H new ATOM 0 HH22 ARG C 46 86.507 21.400 0.763 1.00 0.00 H new ATOM 721 N MET C 47 84.172 12.844 5.193 1.00 0.00 N ATOM 722 CA MET C 47 83.428 12.534 6.409 1.00 0.00 C ATOM 723 C MET C 47 84.207 11.543 7.271 1.00 0.00 C ATOM 724 O MET C 47 83.679 10.987 8.234 1.00 0.00 O ATOM 725 CB MET C 47 82.066 11.932 6.060 1.00 0.00 C ATOM 726 CG MET C 47 80.954 12.851 6.568 1.00 0.00 C ATOM 727 SD MET C 47 79.438 12.535 5.631 1.00 0.00 S ATOM 728 CE MET C 47 79.238 10.799 6.103 1.00 0.00 C ATOM 0 H MET C 47 83.926 12.271 4.386 1.00 0.00 H new ATOM 0 HA MET C 47 83.283 13.461 6.964 1.00 0.00 H new ATOM 0 HB2 MET C 47 81.980 11.802 4.981 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.968 10.943 6.509 1.00 0.00 H new ATOM 0 HG2 MET C 47 80.781 12.678 7.630 1.00 0.00 H new ATOM 0 HG3 MET C 47 81.251 13.894 6.459 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.229 10.469 5.858 1.00 0.00 H new ATOM 0 HE2 MET C 47 79.961 10.189 5.561 1.00 0.00 H new ATOM 0 HE3 MET C 47 79.404 10.692 7.175 1.00 0.00 H new ATOM 738 N LEU C 48 85.471 11.327 6.912 1.00 0.00 N ATOM 739 CA LEU C 48 86.317 10.398 7.656 1.00 0.00 C ATOM 740 C LEU C 48 87.536 11.119 8.227 1.00 0.00 C ATOM 741 O LEU C 48 88.219 10.604 9.112 1.00 0.00 O ATOM 742 CB LEU C 48 86.790 9.264 6.743 1.00 0.00 C ATOM 743 CG LEU C 48 85.805 8.093 6.816 1.00 0.00 C ATOM 744 CD1 LEU C 48 84.369 8.619 6.750 1.00 0.00 C ATOM 745 CD2 LEU C 48 86.055 7.149 5.637 1.00 0.00 C ATOM 0 H LEU C 48 85.928 11.778 6.119 1.00 0.00 H new ATOM 0 HA LEU C 48 85.727 9.987 8.475 1.00 0.00 H new ATOM 0 HB2 LEU C 48 86.869 9.621 5.716 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.784 8.934 7.043 1.00 0.00 H new ATOM 0 HG LEU C 48 85.949 7.557 7.754 1.00 0.00 H new ATOM 0 HD11 LEU C 48 83.672 7.782 6.802 1.00 0.00 H new ATOM 0 HD12 LEU C 48 84.190 9.293 7.587 1.00 0.00 H new ATOM 0 HD13 LEU C 48 84.221 9.156 5.813 1.00 0.00 H new ATOM 0 HD21 LEU C 48 85.356 6.314 5.685 1.00 0.00 H new ATOM 0 HD22 LEU C 48 85.911 7.689 4.701 1.00 0.00 H new ATOM 0 HD23 LEU C 48 87.076 6.771 5.684 1.00 0.00 H new ATOM 757 N GLY C 49 87.800 12.318 7.713 1.00 0.00 N ATOM 758 CA GLY C 49 88.940 13.102 8.183 1.00 0.00 C ATOM 759 C GLY C 49 90.030 13.168 7.116 1.00 0.00 C ATOM 760 O GLY C 49 91.192 13.448 7.413 1.00 0.00 O ATOM 0 H GLY C 49 87.248 12.764 6.980 1.00 0.00 H new ATOM 0 HA2 GLY C 49 88.613 14.110 8.438 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.342 12.657 9.093 1.00 0.00 H new ATOM 764 N GLN C 50 89.641 12.907 5.871 1.00 0.00 N ATOM 765 CA GLN C 50 90.593 12.940 4.763 1.00 0.00 C ATOM 766 C GLN C 50 89.993 13.671 3.566 1.00 0.00 C ATOM 767 O GLN C 50 88.802 13.547 3.276 1.00 0.00 O ATOM 768 CB GLN C 50 90.974 11.519 4.343 1.00 0.00 C ATOM 769 CG GLN C 50 91.582 10.779 5.536 1.00 0.00 C ATOM 770 CD GLN C 50 92.699 9.862 5.051 1.00 0.00 C ATOM 771 OE1 GLN C 50 93.041 9.861 3.868 1.00 0.00 O ATOM 772 NE2 GLN C 50 93.293 9.072 5.902 1.00 0.00 N ATOM 0 H GLN C 50 88.685 12.673 5.605 1.00 0.00 H new ATOM 0 HA GLN C 50 91.484 13.469 5.100 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.094 10.987 3.982 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.687 11.551 3.519 1.00 0.00 H new ATOM 0 HG2 GLN C 50 91.973 11.494 6.260 1.00 0.00 H new ATOM 0 HG3 GLN C 50 90.814 10.196 6.046 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.010 9.073 6.882 1.00 0.00 H new ATOM 0 HE22 GLN C 50 94.041 8.454 5.588 1.00 0.00 H new ATOM 781 N ASN C 51 90.830 14.442 2.876 1.00 0.00 N ATOM 782 CA ASN C 51 90.371 15.199 1.713 1.00 0.00 C ATOM 783 C ASN C 51 91.208 14.864 0.481 1.00 0.00 C ATOM 784 O ASN C 51 92.212 15.519 0.199 1.00 0.00 O ATOM 785 CB ASN C 51 90.468 16.702 1.983 1.00 0.00 C ATOM 786 CG ASN C 51 89.891 17.469 0.798 1.00 0.00 C ATOM 787 OD1 ASN C 51 88.744 17.914 0.837 1.00 0.00 O ATOM 788 ND2 ASN C 51 90.626 17.654 -0.265 1.00 0.00 N ATOM 0 H ASN C 51 91.819 14.559 3.098 1.00 0.00 H new ATOM 0 HA ASN C 51 89.333 14.924 1.528 1.00 0.00 H new ATOM 0 HB2 ASN C 51 89.924 16.955 2.893 1.00 0.00 H new ATOM 0 HB3 ASN C 51 91.508 16.987 2.143 1.00 0.00 H new ATOM 0 HD21 ASN C 51 90.250 18.167 -1.062 1.00 0.00 H new ATOM 0 HD22 ASN C 51 91.577 17.286 -0.298 1.00 0.00 H new ATOM 795 N PRO C 52 90.792 13.844 -0.265 1.00 0.00 N ATOM 796 CA PRO C 52 91.494 13.414 -1.487 1.00 0.00 C ATOM 797 C PRO C 52 91.109 14.254 -2.705 1.00 0.00 C ATOM 798 O PRO C 52 90.487 15.308 -2.575 1.00 0.00 O ATOM 799 CB PRO C 52 91.009 11.978 -1.645 1.00 0.00 C ATOM 800 CG PRO C 52 89.673 11.875 -0.913 1.00 0.00 C ATOM 801 CD PRO C 52 89.594 13.051 0.067 1.00 0.00 C ATOM 0 HA PRO C 52 92.576 13.519 -1.414 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.892 11.724 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.733 11.278 -1.227 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.844 11.909 -1.620 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.599 10.927 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.679 13.627 -0.068 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.608 12.714 1.103 1.00 0.00 H new ATOM 809 N THR C 53 91.482 13.776 -3.890 1.00 0.00 N ATOM 810 CA THR C 53 91.164 14.495 -5.121 1.00 0.00 C ATOM 811 C THR C 53 90.429 13.581 -6.095 1.00 0.00 C ATOM 812 O THR C 53 90.265 12.387 -5.846 1.00 0.00 O ATOM 813 CB THR C 53 92.441 15.012 -5.786 1.00 0.00 C ATOM 814 OG1 THR C 53 93.571 14.562 -5.052 1.00 0.00 O ATOM 815 CG2 THR C 53 92.422 16.541 -5.812 1.00 0.00 C ATOM 0 H THR C 53 91.998 12.906 -4.024 1.00 0.00 H new ATOM 0 HA THR C 53 90.525 15.339 -4.862 1.00 0.00 H new ATOM 0 HB THR C 53 92.498 14.635 -6.807 1.00 0.00 H new ATOM 0 HG1 THR C 53 94.161 14.049 -5.642 1.00 0.00 H new ATOM 0 HG21 THR C 53 93.332 16.908 -6.286 1.00 0.00 H new ATOM 0 HG22 THR C 53 91.555 16.885 -6.376 1.00 0.00 H new ATOM 0 HG23 THR C 53 92.365 16.922 -4.792 1.00 0.00 H new ATOM 823 N PRO C 54 89.984 14.141 -7.216 1.00 0.00 N ATOM 824 CA PRO C 54 89.258 13.380 -8.247 1.00 0.00 C ATOM 825 C PRO C 54 90.197 12.587 -9.153 1.00 0.00 C ATOM 826 O PRO C 54 89.796 11.611 -9.788 1.00 0.00 O ATOM 827 CB PRO C 54 88.552 14.484 -9.023 1.00 0.00 C ATOM 828 CG PRO C 54 89.345 15.767 -8.796 1.00 0.00 C ATOM 829 CD PRO C 54 90.178 15.570 -7.524 1.00 0.00 C ATOM 0 HA PRO C 54 88.588 12.629 -7.828 1.00 0.00 H new ATOM 0 HB2 PRO C 54 88.508 14.241 -10.085 1.00 0.00 H new ATOM 0 HB3 PRO C 54 87.524 14.600 -8.679 1.00 0.00 H new ATOM 0 HG2 PRO C 54 89.990 15.976 -9.649 1.00 0.00 H new ATOM 0 HG3 PRO C 54 88.674 16.619 -8.688 1.00 0.00 H new ATOM 0 HD2 PRO C 54 91.229 15.808 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO C 54 89.831 16.208 -6.712 1.00 0.00 H new ATOM 837 N GLU C 55 91.453 13.021 -9.202 1.00 0.00 N ATOM 838 CA GLU C 55 92.450 12.348 -10.027 1.00 0.00 C ATOM 839 C GLU C 55 93.100 11.204 -9.254 1.00 0.00 C ATOM 840 O GLU C 55 93.568 10.228 -9.841 1.00 0.00 O ATOM 841 CB GLU C 55 93.535 13.333 -10.469 1.00 0.00 C ATOM 842 CG GLU C 55 92.911 14.426 -11.337 1.00 0.00 C ATOM 843 CD GLU C 55 93.886 14.816 -12.443 1.00 0.00 C ATOM 844 OE1 GLU C 55 95.061 14.521 -12.300 1.00 0.00 O ATOM 845 OE2 GLU C 55 93.443 15.403 -13.417 1.00 0.00 O ATOM 0 H GLU C 55 91.802 13.828 -8.685 1.00 0.00 H new ATOM 0 HA GLU C 55 91.944 11.949 -10.906 1.00 0.00 H new ATOM 0 HB2 GLU C 55 94.015 13.777 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU C 55 94.311 12.809 -11.028 1.00 0.00 H new ATOM 0 HG2 GLU C 55 91.976 14.071 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU C 55 92.670 15.296 -10.727 1.00 0.00 H new ATOM 852 N GLU C 56 93.128 11.337 -7.929 1.00 0.00 N ATOM 853 CA GLU C 56 93.727 10.310 -7.082 1.00 0.00 C ATOM 854 C GLU C 56 92.680 9.278 -6.674 1.00 0.00 C ATOM 855 O GLU C 56 92.998 8.117 -6.418 1.00 0.00 O ATOM 856 CB GLU C 56 94.327 10.938 -5.823 1.00 0.00 C ATOM 857 CG GLU C 56 95.822 11.185 -6.036 1.00 0.00 C ATOM 858 CD GLU C 56 96.317 12.207 -5.018 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.690 13.246 -4.897 1.00 0.00 O ATOM 860 OE2 GLU C 56 97.318 11.936 -4.374 1.00 0.00 O ATOM 0 H GLU C 56 92.747 12.137 -7.424 1.00 0.00 H new ATOM 0 HA GLU C 56 94.515 9.820 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.822 11.877 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU C 56 94.175 10.279 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU C 56 96.375 10.252 -5.929 1.00 0.00 H new ATOM 0 HG3 GLU C 56 96.001 11.547 -7.048 1.00 0.00 H new ATOM 867 N LEU C 57 91.426 9.718 -6.615 1.00 0.00 N ATOM 868 CA LEU C 57 90.333 8.826 -6.235 1.00 0.00 C ATOM 869 C LEU C 57 90.080 7.796 -7.331 1.00 0.00 C ATOM 870 O LEU C 57 90.141 6.590 -7.094 1.00 0.00 O ATOM 871 CB LEU C 57 89.049 9.621 -5.994 1.00 0.00 C ATOM 872 CG LEU C 57 88.916 9.935 -4.504 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.923 11.082 -4.310 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.412 8.692 -3.765 1.00 0.00 C ATOM 0 H LEU C 57 91.143 10.676 -6.823 1.00 0.00 H new ATOM 0 HA LEU C 57 90.621 8.316 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU C 57 89.067 10.545 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU C 57 88.186 9.050 -6.335 1.00 0.00 H new ATOM 0 HG LEU C 57 89.888 10.226 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.828 11.306 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU C 57 88.281 11.967 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.950 10.792 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.317 8.914 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.440 8.401 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.120 7.875 -3.903 1.00 0.00 H new ATOM 886 N GLN C 58 89.794 8.284 -8.536 1.00 0.00 N ATOM 887 CA GLN C 58 89.531 7.393 -9.662 1.00 0.00 C ATOM 888 C GLN C 58 90.581 6.290 -9.724 1.00 0.00 C ATOM 889 O GLN C 58 90.318 5.190 -10.210 1.00 0.00 O ATOM 890 CB GLN C 58 89.545 8.168 -10.981 1.00 0.00 C ATOM 891 CG GLN C 58 88.613 7.483 -11.982 1.00 0.00 C ATOM 892 CD GLN C 58 89.434 6.900 -13.125 1.00 0.00 C ATOM 893 OE1 GLN C 58 89.976 7.637 -13.948 1.00 0.00 O ATOM 894 NE2 GLN C 58 89.560 5.605 -13.227 1.00 0.00 N ATOM 0 H GLN C 58 89.739 9.278 -8.756 1.00 0.00 H new ATOM 0 HA GLN C 58 88.545 6.952 -9.514 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.225 9.197 -10.815 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.558 8.210 -11.380 1.00 0.00 H new ATOM 0 HG2 GLN C 58 88.048 6.694 -11.487 1.00 0.00 H new ATOM 0 HG3 GLN C 58 87.888 8.199 -12.369 1.00 0.00 H new ATOM 0 HE21 GLN C 58 89.111 4.994 -12.545 1.00 0.00 H new ATOM 0 HE22 GLN C 58 90.108 5.204 -13.989 1.00 0.00 H new ATOM 903 N GLU C 59 91.775 6.594 -9.222 1.00 0.00 N ATOM 904 CA GLU C 59 92.856 5.613 -9.224 1.00 0.00 C ATOM 905 C GLU C 59 92.487 4.428 -8.339 1.00 0.00 C ATOM 906 O GLU C 59 92.966 3.312 -8.538 1.00 0.00 O ATOM 907 CB GLU C 59 94.157 6.239 -8.714 1.00 0.00 C ATOM 908 CG GLU C 59 95.129 6.417 -9.882 1.00 0.00 C ATOM 909 CD GLU C 59 95.959 7.679 -9.670 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.094 8.091 -8.529 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.446 8.215 -10.651 1.00 0.00 O ATOM 0 H GLU C 59 92.016 7.497 -8.815 1.00 0.00 H new ATOM 0 HA GLU C 59 93.005 5.273 -10.249 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.951 7.203 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.603 5.604 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU C 59 95.783 5.548 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.578 6.486 -10.820 1.00 0.00 H new ATOM 918 N MET C 60 91.622 4.685 -7.361 1.00 0.00 N ATOM 919 CA MET C 60 91.183 3.632 -6.451 1.00 0.00 C ATOM 920 C MET C 60 90.161 2.737 -7.144 1.00 0.00 C ATOM 921 O MET C 60 90.144 1.521 -6.953 1.00 0.00 O ATOM 922 CB MET C 60 90.551 4.231 -5.192 1.00 0.00 C ATOM 923 CG MET C 60 91.645 4.530 -4.165 1.00 0.00 C ATOM 924 SD MET C 60 91.553 6.269 -3.674 1.00 0.00 S ATOM 925 CE MET C 60 90.967 5.993 -1.986 1.00 0.00 C ATOM 0 H MET C 60 91.215 5.603 -7.180 1.00 0.00 H new ATOM 0 HA MET C 60 92.056 3.045 -6.166 1.00 0.00 H new ATOM 0 HB2 MET C 60 90.012 5.145 -5.442 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.823 3.537 -4.772 1.00 0.00 H new ATOM 0 HG2 MET C 60 91.525 3.888 -3.292 1.00 0.00 H new ATOM 0 HG3 MET C 60 92.625 4.312 -4.588 1.00 0.00 H new ATOM 0 HE1 MET C 60 89.963 6.404 -1.877 1.00 0.00 H new ATOM 0 HE2 MET C 60 90.945 4.923 -1.779 1.00 0.00 H new ATOM 0 HE3 MET C 60 91.639 6.485 -1.283 1.00 0.00 H new ATOM 935 N ILE C 61 89.313 3.357 -7.959 1.00 0.00 N ATOM 936 CA ILE C 61 88.292 2.615 -8.689 1.00 0.00 C ATOM 937 C ILE C 61 88.953 1.679 -9.699 1.00 0.00 C ATOM 938 O ILE C 61 88.491 0.563 -9.925 1.00 0.00 O ATOM 939 CB ILE C 61 87.352 3.592 -9.416 1.00 0.00 C ATOM 940 CG1 ILE C 61 86.285 4.109 -8.441 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.654 2.889 -10.586 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.905 4.386 -7.068 1.00 0.00 C ATOM 0 H ILE C 61 89.312 4.363 -8.129 1.00 0.00 H new ATOM 0 HA ILE C 61 87.710 2.023 -7.983 1.00 0.00 H new ATOM 0 HB ILE C 61 87.945 4.424 -9.795 1.00 0.00 H new ATOM 0 HG12 ILE C 61 85.835 5.021 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE C 61 85.485 3.375 -8.344 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.992 3.593 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE C 61 87.402 2.525 -11.290 1.00 0.00 H new ATOM 0 HG23 ILE C 61 86.071 2.048 -10.210 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.135 4.752 -6.388 1.00 0.00 H new ATOM 0 HD12 ILE C 61 87.333 3.466 -6.670 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.688 5.137 -7.167 1.00 0.00 H new ATOM 954 N ASP C 62 90.042 2.150 -10.302 1.00 0.00 N ATOM 955 CA ASP C 62 90.763 1.347 -11.287 1.00 0.00 C ATOM 956 C ASP C 62 91.185 0.013 -10.679 1.00 0.00 C ATOM 957 O ASP C 62 91.420 -0.964 -11.391 1.00 0.00 O ATOM 958 CB ASP C 62 92.009 2.090 -11.774 1.00 0.00 C ATOM 959 CG ASP C 62 91.630 3.031 -12.912 1.00 0.00 C ATOM 960 OD1 ASP C 62 90.494 2.970 -13.352 1.00 0.00 O ATOM 961 OD2 ASP C 62 92.482 3.798 -13.328 1.00 0.00 O ATOM 0 H ASP C 62 90.441 3.073 -10.129 1.00 0.00 H new ATOM 0 HA ASP C 62 90.096 1.167 -12.130 1.00 0.00 H new ATOM 0 HB2 ASP C 62 92.452 2.655 -10.954 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.761 1.377 -12.113 1.00 0.00 H new ATOM 966 N GLU C 63 91.277 -0.016 -9.353 1.00 0.00 N ATOM 967 CA GLU C 63 91.671 -1.234 -8.649 1.00 0.00 C ATOM 968 C GLU C 63 90.506 -2.213 -8.589 1.00 0.00 C ATOM 969 O GLU C 63 90.688 -3.407 -8.348 1.00 0.00 O ATOM 970 CB GLU C 63 92.105 -0.909 -7.219 1.00 0.00 C ATOM 971 CG GLU C 63 92.837 0.435 -7.198 1.00 0.00 C ATOM 972 CD GLU C 63 94.115 0.305 -6.377 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.305 -0.737 -5.772 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.886 1.251 -6.365 1.00 0.00 O ATOM 0 H GLU C 63 91.086 0.782 -8.747 1.00 0.00 H new ATOM 0 HA GLU C 63 92.502 -1.681 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU C 63 91.235 -0.871 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.757 -1.696 -6.838 1.00 0.00 H new ATOM 0 HG2 GLU C 63 93.075 0.747 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU C 63 92.194 1.205 -6.771 1.00 0.00 H new ATOM 981 N VAL C 64 89.304 -1.690 -8.796 1.00 0.00 N ATOM 982 CA VAL C 64 88.105 -2.520 -8.749 1.00 0.00 C ATOM 983 C VAL C 64 87.368 -2.485 -10.082 1.00 0.00 C ATOM 984 O VAL C 64 86.520 -3.332 -10.360 1.00 0.00 O ATOM 985 CB VAL C 64 87.171 -2.019 -7.650 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.707 -2.463 -6.289 1.00 0.00 C ATOM 987 CG2 VAL C 64 87.110 -0.491 -7.698 1.00 0.00 C ATOM 0 H VAL C 64 89.133 -0.705 -8.996 1.00 0.00 H new ATOM 0 HA VAL C 64 88.410 -3.545 -8.540 1.00 0.00 H new ATOM 0 HB VAL C 64 86.173 -2.430 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL C 64 87.042 -2.107 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.758 -3.551 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.703 -2.048 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL C 64 86.444 -0.129 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL C 64 88.108 -0.082 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.734 -0.172 -8.670 1.00 0.00 H new ATOM 997 N ASP C 65 87.695 -1.494 -10.903 1.00 0.00 N ATOM 998 CA ASP C 65 87.050 -1.355 -12.204 1.00 0.00 C ATOM 999 C ASP C 65 87.565 -2.411 -13.178 1.00 0.00 C ATOM 1000 O ASP C 65 88.062 -2.089 -14.257 1.00 0.00 O ATOM 1001 CB ASP C 65 87.315 0.035 -12.788 1.00 0.00 C ATOM 1002 CG ASP C 65 85.990 0.759 -13.001 1.00 0.00 C ATOM 1003 OD1 ASP C 65 85.082 0.534 -12.218 1.00 0.00 O ATOM 1004 OD2 ASP C 65 85.903 1.528 -13.944 1.00 0.00 O ATOM 0 H ASP C 65 88.395 -0.782 -10.695 1.00 0.00 H new ATOM 0 HA ASP C 65 85.978 -1.491 -12.060 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.951 0.609 -12.114 1.00 0.00 H new ATOM 0 HB3 ASP C 65 87.850 -0.052 -13.734 1.00 0.00 H new ATOM 1009 N GLU C 66 87.435 -3.676 -12.787 1.00 0.00 N ATOM 1010 CA GLU C 66 87.884 -4.774 -13.637 1.00 0.00 C ATOM 1011 C GLU C 66 86.827 -5.092 -14.690 1.00 0.00 C ATOM 1012 O GLU C 66 87.081 -5.828 -15.643 1.00 0.00 O ATOM 1013 CB GLU C 66 88.152 -6.028 -12.802 1.00 0.00 C ATOM 1014 CG GLU C 66 89.636 -6.392 -12.891 1.00 0.00 C ATOM 1015 CD GLU C 66 89.796 -7.906 -12.799 1.00 0.00 C ATOM 1016 OE1 GLU C 66 88.818 -8.567 -12.492 1.00 0.00 O ATOM 1017 OE2 GLU C 66 90.894 -8.381 -13.037 1.00 0.00 O ATOM 0 H GLU C 66 87.027 -3.964 -11.897 1.00 0.00 H new ATOM 0 HA GLU C 66 88.808 -4.466 -14.127 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.871 -5.853 -11.763 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.541 -6.856 -13.163 1.00 0.00 H new ATOM 0 HG2 GLU C 66 90.055 -6.028 -13.829 1.00 0.00 H new ATOM 0 HG3 GLU C 66 90.189 -5.908 -12.086 1.00 0.00 H new ATOM 1024 N ASP C 67 85.636 -4.525 -14.506 1.00 0.00 N ATOM 1025 CA ASP C 67 84.544 -4.749 -15.447 1.00 0.00 C ATOM 1026 C ASP C 67 84.449 -3.590 -16.433 1.00 0.00 C ATOM 1027 O ASP C 67 83.774 -3.682 -17.458 1.00 0.00 O ATOM 1028 CB ASP C 67 83.214 -4.881 -14.702 1.00 0.00 C ATOM 1029 CG ASP C 67 83.038 -3.696 -13.759 1.00 0.00 C ATOM 1030 OD1 ASP C 67 82.959 -2.582 -14.248 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.984 -3.921 -12.561 1.00 0.00 O ATOM 0 H ASP C 67 85.405 -3.914 -13.723 1.00 0.00 H new ATOM 0 HA ASP C 67 84.748 -5.673 -15.989 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.389 -4.919 -15.413 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.192 -5.814 -14.139 1.00 0.00 H new ATOM 1036 N GLY C 68 85.133 -2.494 -16.111 1.00 0.00 N ATOM 1037 CA GLY C 68 85.117 -1.319 -16.978 1.00 0.00 C ATOM 1038 C GLY C 68 83.791 -0.578 -16.856 1.00 0.00 C ATOM 1039 O GLY C 68 83.287 -0.011 -17.825 1.00 0.00 O ATOM 0 H GLY C 68 85.698 -2.395 -15.268 1.00 0.00 H new ATOM 0 HA2 GLY C 68 85.937 -0.653 -16.711 1.00 0.00 H new ATOM 0 HA3 GLY C 68 85.276 -1.622 -18.013 1.00 0.00 H new ATOM 1043 N SER C 69 83.231 -0.590 -15.649 1.00 0.00 N ATOM 1044 CA SER C 69 81.959 0.084 -15.405 1.00 0.00 C ATOM 1045 C SER C 69 82.195 1.546 -15.040 1.00 0.00 C ATOM 1046 O SER C 69 81.364 2.411 -15.313 1.00 0.00 O ATOM 1047 CB SER C 69 81.203 -0.595 -14.263 1.00 0.00 C ATOM 1048 OG SER C 69 81.950 -0.460 -13.061 1.00 0.00 O ATOM 0 H SER C 69 83.632 -1.053 -14.834 1.00 0.00 H new ATOM 0 HA SER C 69 81.367 0.025 -16.318 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.218 -0.144 -14.145 1.00 0.00 H new ATOM 0 HB3 SER C 69 81.046 -1.649 -14.491 1.00 0.00 H new ATOM 0 HG SER C 69 82.627 -1.167 -13.015 1.00 0.00 H new ATOM 1054 N GLY C 70 83.341 1.809 -14.417 1.00 0.00 N ATOM 1055 CA GLY C 70 83.682 3.170 -14.014 1.00 0.00 C ATOM 1056 C GLY C 70 83.226 3.438 -12.584 1.00 0.00 C ATOM 1057 O GLY C 70 83.170 4.584 -12.139 1.00 0.00 O ATOM 0 H GLY C 70 84.042 1.106 -14.182 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.759 3.319 -14.092 1.00 0.00 H new ATOM 0 HA3 GLY C 70 83.212 3.884 -14.691 1.00 0.00 H new ATOM 1061 N THR C 71 82.899 2.364 -11.868 1.00 0.00 N ATOM 1062 CA THR C 71 82.446 2.491 -10.485 1.00 0.00 C ATOM 1063 C THR C 71 82.819 1.244 -9.686 1.00 0.00 C ATOM 1064 O THR C 71 83.584 0.398 -10.149 1.00 0.00 O ATOM 1065 CB THR C 71 80.928 2.684 -10.434 1.00 0.00 C ATOM 1066 OG1 THR C 71 80.358 2.279 -11.671 1.00 0.00 O ATOM 1067 CG2 THR C 71 80.605 4.159 -10.181 1.00 0.00 C ATOM 0 H THR C 71 82.938 1.407 -12.218 1.00 0.00 H new ATOM 0 HA THR C 71 82.935 3.361 -10.048 1.00 0.00 H new ATOM 0 HB THR C 71 80.513 2.080 -9.627 1.00 0.00 H new ATOM 0 HG1 THR C 71 79.386 2.401 -11.639 1.00 0.00 H new ATOM 0 HG21 THR C 71 79.524 4.294 -10.145 1.00 0.00 H new ATOM 0 HG22 THR C 71 81.041 4.469 -9.231 1.00 0.00 H new ATOM 0 HG23 THR C 71 81.020 4.766 -10.986 1.00 0.00 H new ATOM 1075 N VAL C 72 82.267 1.142 -8.479 1.00 0.00 N ATOM 1076 CA VAL C 72 82.543 -0.005 -7.616 1.00 0.00 C ATOM 1077 C VAL C 72 81.240 -0.570 -7.058 1.00 0.00 C ATOM 1078 O VAL C 72 80.747 -0.124 -6.022 1.00 0.00 O ATOM 1079 CB VAL C 72 83.446 0.405 -6.449 1.00 0.00 C ATOM 1080 CG1 VAL C 72 84.166 -0.826 -5.898 1.00 0.00 C ATOM 1081 CG2 VAL C 72 84.483 1.421 -6.935 1.00 0.00 C ATOM 0 H VAL C 72 81.632 1.832 -8.079 1.00 0.00 H new ATOM 0 HA VAL C 72 83.047 -0.764 -8.214 1.00 0.00 H new ATOM 0 HB VAL C 72 82.836 0.852 -5.664 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.808 -0.531 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL C 72 83.431 -1.551 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL C 72 84.773 -1.275 -6.684 1.00 0.00 H new ATOM 0 HG21 VAL C 72 85.125 1.712 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL C 72 85.090 0.974 -7.722 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.974 2.302 -7.326 1.00 0.00 H new ATOM 1091 N ASP C 73 80.685 -1.556 -7.759 1.00 0.00 N ATOM 1092 CA ASP C 73 79.434 -2.174 -7.327 1.00 0.00 C ATOM 1093 C ASP C 73 79.558 -2.687 -5.895 1.00 0.00 C ATOM 1094 O ASP C 73 80.530 -2.400 -5.197 1.00 0.00 O ATOM 1095 CB ASP C 73 79.062 -3.338 -8.250 1.00 0.00 C ATOM 1096 CG ASP C 73 80.203 -4.349 -8.289 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.313 -5.126 -7.355 1.00 0.00 O ATOM 1098 OD2 ASP C 73 80.950 -4.331 -9.253 1.00 0.00 O ATOM 0 H ASP C 73 81.076 -1.941 -8.619 1.00 0.00 H new ATOM 0 HA ASP C 73 78.652 -1.416 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP C 73 78.150 -3.818 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP C 73 78.858 -2.967 -9.254 1.00 0.00 H new ATOM 1103 N PHE C 74 78.554 -3.445 -5.466 1.00 0.00 N ATOM 1104 CA PHE C 74 78.544 -3.995 -4.113 1.00 0.00 C ATOM 1105 C PHE C 74 79.481 -5.195 -4.009 1.00 0.00 C ATOM 1106 O PHE C 74 80.005 -5.501 -2.937 1.00 0.00 O ATOM 1107 CB PHE C 74 77.129 -4.437 -3.736 1.00 0.00 C ATOM 1108 CG PHE C 74 77.123 -4.967 -2.323 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.896 -4.097 -1.251 1.00 0.00 C ATOM 1110 CD2 PHE C 74 77.343 -6.329 -2.086 1.00 0.00 C ATOM 1111 CE1 PHE C 74 76.887 -4.588 0.060 1.00 0.00 C ATOM 1112 CE2 PHE C 74 77.335 -6.821 -0.775 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.107 -5.950 0.298 1.00 0.00 C ATOM 0 H PHE C 74 77.741 -3.692 -6.031 1.00 0.00 H new ATOM 0 HA PHE C 74 78.883 -3.216 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.440 -3.597 -3.823 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.782 -5.207 -4.425 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.728 -3.046 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE C 74 77.519 -7.000 -2.914 1.00 0.00 H new ATOM 0 HE1 PHE C 74 76.710 -3.917 0.887 1.00 0.00 H new ATOM 0 HE2 PHE C 74 77.505 -7.872 -0.591 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.101 -6.329 1.309 1.00 0.00 H new ATOM 1123 N ASP C 75 79.678 -5.880 -5.133 1.00 0.00 N ATOM 1124 CA ASP C 75 80.544 -7.058 -5.157 1.00 0.00 C ATOM 1125 C ASP C 75 82.016 -6.670 -5.008 1.00 0.00 C ATOM 1126 O ASP C 75 82.628 -6.901 -3.966 1.00 0.00 O ATOM 1127 CB ASP C 75 80.359 -7.829 -6.467 1.00 0.00 C ATOM 1128 CG ASP C 75 78.877 -7.882 -6.821 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.109 -8.359 -6.002 1.00 0.00 O ATOM 1130 OD2 ASP C 75 78.531 -7.444 -7.906 1.00 0.00 O ATOM 0 H ASP C 75 79.255 -5.644 -6.031 1.00 0.00 H new ATOM 0 HA ASP C 75 80.261 -7.689 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP C 75 80.918 -7.345 -7.268 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.756 -8.839 -6.366 1.00 0.00 H new ATOM 1135 N GLU C 76 82.581 -6.090 -6.064 1.00 0.00 N ATOM 1136 CA GLU C 76 83.987 -5.688 -6.040 1.00 0.00 C ATOM 1137 C GLU C 76 84.313 -4.915 -4.765 1.00 0.00 C ATOM 1138 O GLU C 76 85.398 -5.052 -4.200 1.00 0.00 O ATOM 1139 CB GLU C 76 84.313 -4.810 -7.249 1.00 0.00 C ATOM 1140 CG GLU C 76 83.272 -3.697 -7.368 1.00 0.00 C ATOM 1141 CD GLU C 76 83.384 -3.044 -8.741 1.00 0.00 C ATOM 1142 OE1 GLU C 76 84.460 -3.096 -9.313 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.394 -2.501 -9.201 1.00 0.00 O ATOM 0 H GLU C 76 82.095 -5.889 -6.938 1.00 0.00 H new ATOM 0 HA GLU C 76 84.589 -6.596 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU C 76 85.309 -4.381 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU C 76 84.322 -5.413 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU C 76 82.271 -4.104 -7.227 1.00 0.00 H new ATOM 0 HG3 GLU C 76 83.427 -2.954 -6.586 1.00 0.00 H new ATOM 1150 N PHE C 77 83.365 -4.096 -4.322 1.00 0.00 N ATOM 1151 CA PHE C 77 83.564 -3.298 -3.114 1.00 0.00 C ATOM 1152 C PHE C 77 84.220 -4.132 -2.016 1.00 0.00 C ATOM 1153 O PHE C 77 85.443 -4.147 -1.875 1.00 0.00 O ATOM 1154 CB PHE C 77 82.226 -2.760 -2.601 1.00 0.00 C ATOM 1155 CG PHE C 77 82.419 -2.143 -1.235 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.157 -0.962 -1.099 1.00 0.00 C ATOM 1157 CD2 PHE C 77 81.862 -2.755 -0.106 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.338 -0.391 0.167 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.043 -2.185 1.160 1.00 0.00 C ATOM 1160 CZ PHE C 77 82.781 -1.003 1.296 1.00 0.00 C ATOM 0 H PHE C 77 82.460 -3.967 -4.774 1.00 0.00 H new ATOM 0 HA PHE C 77 84.218 -2.464 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.831 -2.017 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.495 -3.566 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE C 77 83.587 -0.491 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.293 -3.667 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE C 77 83.907 0.521 0.272 1.00 0.00 H new ATOM 0 HE2 PHE C 77 81.613 -2.657 2.031 1.00 0.00 H new ATOM 0 HZ PHE C 77 82.921 -0.563 2.272 1.00 0.00 H new ATOM 1170 N LEU C 78 83.386 -4.817 -1.235 1.00 0.00 N ATOM 1171 CA LEU C 78 83.880 -5.650 -0.138 1.00 0.00 C ATOM 1172 C LEU C 78 85.220 -6.288 -0.496 1.00 0.00 C ATOM 1173 O LEU C 78 86.184 -6.206 0.266 1.00 0.00 O ATOM 1174 CB LEU C 78 82.873 -6.755 0.187 1.00 0.00 C ATOM 1175 CG LEU C 78 81.738 -6.181 1.038 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.393 -6.524 0.395 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.799 -6.785 2.442 1.00 0.00 C ATOM 0 H LEU C 78 82.371 -4.813 -1.340 1.00 0.00 H new ATOM 0 HA LEU C 78 84.013 -5.007 0.732 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.472 -7.178 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.368 -7.566 0.722 1.00 0.00 H new ATOM 0 HG LEU C 78 81.844 -5.098 1.102 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.585 -6.115 1.001 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.348 -6.095 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.286 -7.607 0.331 1.00 0.00 H new ATOM 0 HD21 LEU C 78 80.991 -6.377 3.049 1.00 0.00 H new ATOM 0 HD22 LEU C 78 81.693 -7.868 2.377 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.757 -6.541 2.902 1.00 0.00 H new ATOM 1189 N VAL C 79 85.272 -6.926 -1.661 1.00 0.00 N ATOM 1190 CA VAL C 79 86.502 -7.578 -2.106 1.00 0.00 C ATOM 1191 C VAL C 79 87.697 -6.643 -1.931 1.00 0.00 C ATOM 1192 O VAL C 79 88.598 -6.912 -1.139 1.00 0.00 O ATOM 1193 CB VAL C 79 86.392 -7.985 -3.578 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.767 -8.404 -4.104 1.00 0.00 C ATOM 1195 CG2 VAL C 79 85.421 -9.160 -3.709 1.00 0.00 C ATOM 0 H VAL C 79 84.488 -7.006 -2.308 1.00 0.00 H new ATOM 0 HA VAL C 79 86.649 -8.469 -1.496 1.00 0.00 H new ATOM 0 HB VAL C 79 86.026 -7.138 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.683 -8.693 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.462 -7.569 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL C 79 88.137 -9.249 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL C 79 85.341 -9.451 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL C 79 85.789 -10.003 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL C 79 84.439 -8.864 -3.339 1.00 0.00 H new ATOM 1205 N MET C 80 87.697 -5.544 -2.679 1.00 0.00 N ATOM 1206 CA MET C 80 88.793 -4.579 -2.596 1.00 0.00 C ATOM 1207 C MET C 80 89.048 -4.180 -1.147 1.00 0.00 C ATOM 1208 O MET C 80 90.168 -3.830 -0.771 1.00 0.00 O ATOM 1209 CB MET C 80 88.463 -3.322 -3.401 1.00 0.00 C ATOM 1210 CG MET C 80 89.757 -2.699 -3.929 1.00 0.00 C ATOM 1211 SD MET C 80 90.331 -1.426 -2.777 1.00 0.00 S ATOM 1212 CE MET C 80 89.164 -0.133 -3.268 1.00 0.00 C ATOM 0 H MET C 80 86.961 -5.299 -3.342 1.00 0.00 H new ATOM 0 HA MET C 80 89.685 -5.053 -3.006 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.802 -3.572 -4.231 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.931 -2.606 -2.775 1.00 0.00 H new ATOM 0 HG2 MET C 80 90.521 -3.468 -4.048 1.00 0.00 H new ATOM 0 HG3 MET C 80 89.588 -2.263 -4.914 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.294 0.738 -2.625 1.00 0.00 H new ATOM 0 HE2 MET C 80 89.350 0.150 -4.304 1.00 0.00 H new ATOM 0 HE3 MET C 80 88.145 -0.507 -3.171 1.00 0.00 H new ATOM 1222 N MET C 81 87.995 -4.231 -0.338 1.00 0.00 N ATOM 1223 CA MET C 81 88.111 -3.867 1.071 1.00 0.00 C ATOM 1224 C MET C 81 88.782 -4.986 1.862 1.00 0.00 C ATOM 1225 O MET C 81 89.551 -4.734 2.788 1.00 0.00 O ATOM 1226 CB MET C 81 86.729 -3.595 1.667 1.00 0.00 C ATOM 1227 CG MET C 81 85.943 -2.674 0.732 1.00 0.00 C ATOM 1228 SD MET C 81 86.378 -0.951 1.074 1.00 0.00 S ATOM 1229 CE MET C 81 87.625 -0.769 -0.225 1.00 0.00 C ATOM 0 H MET C 81 87.060 -4.518 -0.629 1.00 0.00 H new ATOM 0 HA MET C 81 88.720 -2.965 1.135 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.191 -4.532 1.808 1.00 0.00 H new ATOM 0 HB3 MET C 81 86.829 -3.134 2.650 1.00 0.00 H new ATOM 0 HG2 MET C 81 86.166 -2.917 -0.307 1.00 0.00 H new ATOM 0 HG3 MET C 81 84.873 -2.824 0.872 1.00 0.00 H new ATOM 0 HE1 MET C 81 88.317 0.029 0.044 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.174 -1.704 -0.336 1.00 0.00 H new ATOM 0 HE3 MET C 81 87.136 -0.522 -1.167 1.00 0.00 H new ATOM 1239 N VAL C 82 88.478 -6.226 1.488 1.00 0.00 N ATOM 1240 CA VAL C 82 89.054 -7.380 2.174 1.00 0.00 C ATOM 1241 C VAL C 82 90.381 -7.783 1.530 1.00 0.00 C ATOM 1242 O VAL C 82 91.304 -8.239 2.205 1.00 0.00 O ATOM 1243 CB VAL C 82 88.075 -8.563 2.138 1.00 0.00 C ATOM 1244 CG1 VAL C 82 88.206 -9.328 0.817 1.00 0.00 C ATOM 1245 CG2 VAL C 82 88.377 -9.504 3.306 1.00 0.00 C ATOM 0 H VAL C 82 87.844 -6.457 0.723 1.00 0.00 H new ATOM 0 HA VAL C 82 89.240 -7.103 3.212 1.00 0.00 H new ATOM 0 HB VAL C 82 87.057 -8.182 2.221 1.00 0.00 H new ATOM 0 HG11 VAL C 82 87.505 -10.163 0.809 1.00 0.00 H new ATOM 0 HG12 VAL C 82 87.983 -8.659 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.223 -9.707 0.715 1.00 0.00 H new ATOM 0 HG21 VAL C 82 87.684 -10.345 3.284 1.00 0.00 H new ATOM 0 HG22 VAL C 82 89.399 -9.873 3.221 1.00 0.00 H new ATOM 0 HG23 VAL C 82 88.263 -8.965 4.246 1.00 0.00 H new ATOM 1255 N ARG C 83 90.459 -7.607 0.215 1.00 0.00 N ATOM 1256 CA ARG C 83 91.668 -7.951 -0.527 1.00 0.00 C ATOM 1257 C ARG C 83 92.844 -7.092 -0.070 1.00 0.00 C ATOM 1258 O ARG C 83 94.003 -7.488 -0.188 1.00 0.00 O ATOM 1259 CB ARG C 83 91.449 -7.735 -2.025 1.00 0.00 C ATOM 1260 CG ARG C 83 92.340 -8.692 -2.817 1.00 0.00 C ATOM 1261 CD ARG C 83 91.573 -9.212 -4.033 1.00 0.00 C ATOM 1262 NE ARG C 83 92.435 -9.241 -5.212 1.00 0.00 N ATOM 1263 CZ ARG C 83 92.048 -9.849 -6.330 1.00 0.00 C ATOM 1264 NH1 ARG C 83 90.881 -10.431 -6.386 1.00 0.00 N ATOM 1265 NH2 ARG C 83 92.834 -9.864 -7.371 1.00 0.00 N ATOM 0 H ARG C 83 89.703 -7.230 -0.357 1.00 0.00 H new ATOM 0 HA ARG C 83 91.892 -9.000 -0.335 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.402 -7.904 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG C 83 91.679 -6.703 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG C 83 93.247 -8.180 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG C 83 92.650 -9.525 -2.185 1.00 0.00 H new ATOM 0 HD2 ARG C 83 91.193 -10.213 -3.829 1.00 0.00 H new ATOM 0 HD3 ARG C 83 90.709 -8.576 -4.224 1.00 0.00 H new ATOM 0 HE ARG C 83 93.348 -8.788 -5.177 1.00 0.00 H new ATOM 0 HH11 ARG C 83 90.266 -10.420 -5.572 1.00 0.00 H new ATOM 0 HH12 ARG C 83 90.584 -10.897 -7.243 1.00 0.00 H new ATOM 0 HH21 ARG C 83 93.746 -9.409 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG C 83 92.537 -10.330 -8.228 1.00 0.00 H new ATOM 1279 N CYS C 84 92.532 -5.908 0.450 1.00 0.00 N ATOM 1280 CA CYS C 84 93.571 -4.994 0.920 1.00 0.00 C ATOM 1281 C CYS C 84 93.992 -5.343 2.344 1.00 0.00 C ATOM 1282 O CYS C 84 94.941 -4.773 2.883 1.00 0.00 O ATOM 1283 CB CYS C 84 93.067 -3.549 0.888 1.00 0.00 C ATOM 1284 SG CYS C 84 91.828 -3.308 2.187 1.00 0.00 S ATOM 0 H CYS C 84 91.579 -5.561 0.556 1.00 0.00 H new ATOM 0 HA CYS C 84 94.430 -5.095 0.256 1.00 0.00 H new ATOM 0 HB2 CYS C 84 93.899 -2.860 1.033 1.00 0.00 H new ATOM 0 HB3 CYS C 84 92.634 -3.326 -0.087 1.00 0.00 H new ATOM 0 HG CYS C 84 90.999 -4.309 2.187 1.00 0.00 H new ATOM 1290 N MET C 85 93.275 -6.284 2.950 1.00 0.00 N ATOM 1291 CA MET C 85 93.581 -6.700 4.314 1.00 0.00 C ATOM 1292 C MET C 85 94.746 -7.685 4.321 1.00 0.00 C ATOM 1293 O MET C 85 95.595 -7.659 5.212 1.00 0.00 O ATOM 1294 CB MET C 85 92.361 -7.363 4.954 1.00 0.00 C ATOM 1295 CG MET C 85 91.146 -6.443 4.812 1.00 0.00 C ATOM 1296 SD MET C 85 91.543 -4.809 5.481 1.00 0.00 S ATOM 1297 CE MET C 85 89.910 -4.065 5.241 1.00 0.00 C ATOM 0 H MET C 85 92.486 -6.769 2.523 1.00 0.00 H new ATOM 0 HA MET C 85 93.854 -5.813 4.886 1.00 0.00 H new ATOM 0 HB2 MET C 85 92.162 -8.322 4.475 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.555 -7.567 6.007 1.00 0.00 H new ATOM 0 HG2 MET C 85 90.861 -6.359 3.763 1.00 0.00 H new ATOM 0 HG3 MET C 85 90.292 -6.866 5.341 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.664 -3.442 6.101 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.918 -3.452 4.340 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.163 -4.852 5.137 1.00 0.00 H new ATOM 1307 N LYS C 86 94.775 -8.554 3.315 1.00 0.00 N ATOM 1308 CA LYS C 86 95.841 -9.548 3.208 1.00 0.00 C ATOM 1309 C LYS C 86 97.161 -8.876 2.845 1.00 0.00 C ATOM 1310 O LYS C 86 98.127 -8.917 3.606 1.00 0.00 O ATOM 1311 CB LYS C 86 95.500 -10.583 2.134 1.00 0.00 C ATOM 1312 CG LYS C 86 95.099 -11.900 2.800 1.00 0.00 C ATOM 1313 CD LYS C 86 93.591 -11.903 3.057 1.00 0.00 C ATOM 1314 CE LYS C 86 93.330 -11.908 4.563 1.00 0.00 C ATOM 1315 NZ LYS C 86 92.260 -12.895 4.879 1.00 0.00 N ATOM 0 H LYS C 86 94.081 -8.592 2.569 1.00 0.00 H new ATOM 0 HA LYS C 86 95.938 -10.043 4.174 1.00 0.00 H new ATOM 0 HB2 LYS C 86 94.686 -10.218 1.508 1.00 0.00 H new ATOM 0 HB3 LYS C 86 96.358 -10.741 1.481 1.00 0.00 H new ATOM 0 HG2 LYS C 86 95.372 -12.740 2.162 1.00 0.00 H new ATOM 0 HG3 LYS C 86 95.639 -12.024 3.739 1.00 0.00 H new ATOM 0 HD2 LYS C 86 93.132 -11.026 2.601 1.00 0.00 H new ATOM 0 HD3 LYS C 86 93.134 -12.778 2.595 1.00 0.00 H new ATOM 0 HE2 LYS C 86 94.244 -12.162 5.100 1.00 0.00 H new ATOM 0 HE3 LYS C 86 93.031 -10.913 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 92.082 -12.898 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 91.387 -12.634 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 92.562 -13.843 4.577 1.00 0.00 H new ATOM 1329 N ASP C 87 97.189 -8.258 1.667 1.00 0.00 N ATOM 1330 CA ASP C 87 98.394 -7.578 1.201 1.00 0.00 C ATOM 1331 C ASP C 87 98.029 -6.470 0.218 1.00 0.00 C ATOM 1332 O ASP C 87 97.884 -6.708 -0.981 1.00 0.00 O ATOM 1333 CB ASP C 87 99.332 -8.568 0.506 1.00 0.00 C ATOM 1334 CG ASP C 87 100.424 -9.004 1.476 1.00 0.00 C ATOM 1335 OD1 ASP C 87 100.540 -8.390 2.523 1.00 0.00 O ATOM 1336 OD2 ASP C 87 101.129 -9.948 1.157 1.00 0.00 O ATOM 0 H ASP C 87 96.399 -8.214 1.023 1.00 0.00 H new ATOM 0 HA ASP C 87 98.896 -7.148 2.068 1.00 0.00 H new ATOM 0 HB2 ASP C 87 98.770 -9.436 0.161 1.00 0.00 H new ATOM 0 HB3 ASP C 87 99.777 -8.106 -0.375 1.00 0.00 H new ATOM 1341 N ASP C 88 97.882 -5.256 0.739 1.00 0.00 N ATOM 1342 CA ASP C 88 97.532 -4.116 -0.104 1.00 0.00 C ATOM 1343 C ASP C 88 98.402 -4.094 -1.357 1.00 0.00 C ATOM 1344 O ASP C 88 99.556 -3.668 -1.322 1.00 0.00 O ATOM 1345 CB ASP C 88 97.725 -2.804 0.658 1.00 0.00 C ATOM 1346 CG ASP C 88 99.110 -2.784 1.296 1.00 0.00 C ATOM 1347 OD1 ASP C 88 99.783 -3.800 1.234 1.00 0.00 O ATOM 1348 OD2 ASP C 88 99.477 -1.754 1.836 1.00 0.00 O ATOM 0 H ASP C 88 97.998 -5.036 1.728 1.00 0.00 H new ATOM 0 HA ASP C 88 96.485 -4.219 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP C 88 97.613 -1.958 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP C 88 96.958 -2.701 1.426 1.00 0.00 H new ATOM 1353 N SER C 89 97.832 -4.560 -2.465 1.00 0.00 N ATOM 1354 CA SER C 89 98.561 -4.591 -3.730 1.00 0.00 C ATOM 1355 C SER C 89 99.802 -5.470 -3.610 1.00 0.00 C ATOM 1356 O SER C 89 100.609 -5.204 -2.735 1.00 0.00 O ATOM 1357 CB SER C 89 98.988 -3.181 -4.135 1.00 0.00 C ATOM 1358 OG SER C 89 99.079 -3.106 -5.551 1.00 0.00 O ATOM 1359 OXT SER C 89 99.927 -6.394 -4.397 1.00 0.00 O ATOM 0 H SER C 89 96.878 -4.918 -2.514 1.00 0.00 H new ATOM 0 HA SER C 89 97.897 -5.002 -4.490 1.00 0.00 H new ATOM 0 HB2 SER C 89 98.268 -2.451 -3.766 1.00 0.00 H new ATOM 0 HB3 SER C 89 99.950 -2.936 -3.684 1.00 0.00 H new ATOM 0 HG SER C 89 99.351 -2.202 -5.814 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 147 95.244 -2.335 3.808 1.00 0.00 N ATOM 1367 CA ARG I 147 94.268 -2.151 4.919 1.00 0.00 C ATOM 1368 C ARG I 147 93.547 -0.819 4.747 1.00 0.00 C ATOM 1369 O ARG I 147 94.160 0.197 4.419 1.00 0.00 O ATOM 1370 CB ARG I 147 95.012 -2.159 6.256 1.00 0.00 C ATOM 1371 CG ARG I 147 95.187 -3.601 6.736 1.00 0.00 C ATOM 1372 CD ARG I 147 96.259 -3.649 7.826 1.00 0.00 C ATOM 1373 NE ARG I 147 95.666 -3.987 9.117 1.00 0.00 N ATOM 1374 CZ ARG I 147 96.314 -3.742 10.252 1.00 0.00 C ATOM 1375 NH1 ARG I 147 97.499 -3.195 10.222 1.00 0.00 N ATOM 1376 NH2 ARG I 147 95.767 -4.050 11.396 1.00 0.00 N ATOM 0 HA ARG I 147 93.540 -2.962 4.902 1.00 0.00 H new ATOM 0 HB2 ARG I 147 95.985 -1.681 6.145 1.00 0.00 H new ATOM 0 HB3 ARG I 147 94.457 -1.583 6.996 1.00 0.00 H new ATOM 0 HG2 ARG I 147 94.243 -3.984 7.123 1.00 0.00 H new ATOM 0 HG3 ARG I 147 95.473 -4.241 5.901 1.00 0.00 H new ATOM 0 HD2 ARG I 147 97.018 -4.386 7.564 1.00 0.00 H new ATOM 0 HD3 ARG I 147 96.761 -2.684 7.892 1.00 0.00 H new ATOM 0 HE ARG I 147 94.742 -4.417 9.149 1.00 0.00 H new ATOM 0 HH11 ARG I 147 97.928 -2.956 9.328 1.00 0.00 H new ATOM 0 HH12 ARG I 147 97.996 -3.007 11.093 1.00 0.00 H new ATOM 0 HH21 ARG I 147 94.842 -4.479 11.420 1.00 0.00 H new ATOM 0 HH22 ARG I 147 96.265 -3.862 12.266 1.00 0.00 H new ATOM 1392 N ILE I 148 92.237 -0.835 4.973 1.00 0.00 N ATOM 1393 CA ILE I 148 91.437 0.379 4.840 1.00 0.00 C ATOM 1394 C ILE I 148 90.982 0.870 6.211 1.00 0.00 C ATOM 1395 O ILE I 148 90.523 0.090 7.045 1.00 0.00 O ATOM 1396 CB ILE I 148 90.204 0.118 3.975 1.00 0.00 C ATOM 1397 CG1 ILE I 148 89.437 1.428 3.777 1.00 0.00 C ATOM 1398 CG2 ILE I 148 89.300 -0.903 4.667 1.00 0.00 C ATOM 1399 CD1 ILE I 148 88.830 1.456 2.374 1.00 0.00 C ATOM 0 H ILE I 148 91.711 -1.665 5.246 1.00 0.00 H new ATOM 0 HA ILE I 148 92.059 1.139 4.367 1.00 0.00 H new ATOM 0 HB ILE I 148 90.515 -0.273 3.006 1.00 0.00 H new ATOM 0 HG12 ILE I 148 88.651 1.519 4.527 1.00 0.00 H new ATOM 0 HG13 ILE I 148 90.106 2.278 3.912 1.00 0.00 H new ATOM 0 HG21 ILE I 148 88.421 -1.088 4.049 1.00 0.00 H new ATOM 0 HG22 ILE I 148 89.847 -1.835 4.810 1.00 0.00 H new ATOM 0 HG23 ILE I 148 88.987 -0.514 5.636 1.00 0.00 H new ATOM 0 HD11 ILE I 148 88.284 2.389 2.232 1.00 0.00 H new ATOM 0 HD12 ILE I 148 89.625 1.385 1.632 1.00 0.00 H new ATOM 0 HD13 ILE I 148 88.148 0.614 2.256 1.00 0.00 H new ATOM 1411 N SER I 149 91.114 2.175 6.432 1.00 0.00 N ATOM 1412 CA SER I 149 90.711 2.765 7.704 1.00 0.00 C ATOM 1413 C SER I 149 89.403 2.145 8.183 1.00 0.00 C ATOM 1414 O SER I 149 88.366 2.266 7.531 1.00 0.00 O ATOM 1415 CB SER I 149 90.524 4.276 7.558 1.00 0.00 C ATOM 1416 OG SER I 149 91.776 4.922 7.742 1.00 0.00 O ATOM 0 H SER I 149 91.493 2.837 5.755 1.00 0.00 H new ATOM 0 HA SER I 149 91.497 2.568 8.433 1.00 0.00 H new ATOM 0 HB2 SER I 149 90.121 4.511 6.573 1.00 0.00 H new ATOM 0 HB3 SER I 149 89.803 4.638 8.291 1.00 0.00 H new ATOM 0 HG SER I 149 91.661 5.891 7.648 1.00 0.00 H new ATOM 1422 N ALA I 150 89.463 1.474 9.330 1.00 0.00 N ATOM 1423 CA ALA I 150 88.275 0.832 9.886 1.00 0.00 C ATOM 1424 C ALA I 150 87.685 1.675 11.012 1.00 0.00 C ATOM 1425 O ALA I 150 86.513 1.538 11.361 1.00 0.00 O ATOM 1426 CB ALA I 150 88.623 -0.555 10.430 1.00 0.00 C ATOM 0 H ALA I 150 90.310 1.361 9.887 1.00 0.00 H new ATOM 0 HA ALA I 150 87.541 0.736 9.086 1.00 0.00 H new ATOM 0 HB1 ALA I 150 87.727 -1.020 10.841 1.00 0.00 H new ATOM 0 HB2 ALA I 150 89.016 -1.174 9.624 1.00 0.00 H new ATOM 0 HB3 ALA I 150 89.374 -0.460 11.214 1.00 0.00 H new ATOM 1432 N ASP I 151 88.512 2.550 11.579 1.00 0.00 N ATOM 1433 CA ASP I 151 88.062 3.411 12.669 1.00 0.00 C ATOM 1434 C ASP I 151 87.305 4.618 12.122 1.00 0.00 C ATOM 1435 O ASP I 151 86.247 4.988 12.632 1.00 0.00 O ATOM 1436 CB ASP I 151 89.254 3.902 13.493 1.00 0.00 C ATOM 1437 CG ASP I 151 89.243 3.226 14.860 1.00 0.00 C ATOM 1438 OD1 ASP I 151 88.566 2.220 14.996 1.00 0.00 O ATOM 1439 OD2 ASP I 151 89.910 3.724 15.751 1.00 0.00 O ATOM 0 H ASP I 151 89.486 2.681 11.306 1.00 0.00 H new ATOM 0 HA ASP I 151 87.398 2.825 13.305 1.00 0.00 H new ATOM 0 HB2 ASP I 151 90.185 3.679 12.973 1.00 0.00 H new ATOM 0 HB3 ASP I 151 89.207 4.985 13.611 1.00 0.00 H new ATOM 1444 N ALA I 152 87.859 5.229 11.078 1.00 0.00 N ATOM 1445 CA ALA I 152 87.227 6.397 10.468 1.00 0.00 C ATOM 1446 C ALA I 152 85.923 6.000 9.785 1.00 0.00 C ATOM 1447 O ALA I 152 85.047 6.834 9.554 1.00 0.00 O ATOM 1448 CB ALA I 152 88.157 7.033 9.433 1.00 0.00 C ATOM 0 H ALA I 152 88.734 4.940 10.640 1.00 0.00 H new ATOM 0 HA ALA I 152 87.020 7.118 11.259 1.00 0.00 H new ATOM 0 HB1 ALA I 152 87.669 7.901 8.990 1.00 0.00 H new ATOM 0 HB2 ALA I 152 89.082 7.345 9.918 1.00 0.00 H new ATOM 0 HB3 ALA I 152 88.384 6.307 8.653 1.00 0.00 H new ATOM 1454 N MET I 153 85.806 4.716 9.462 1.00 0.00 N ATOM 1455 CA MET I 153 84.605 4.211 8.802 1.00 0.00 C ATOM 1456 C MET I 153 83.411 4.266 9.751 1.00 0.00 C ATOM 1457 O MET I 153 82.291 4.564 9.343 1.00 0.00 O ATOM 1458 CB MET I 153 84.817 2.765 8.339 1.00 0.00 C ATOM 1459 CG MET I 153 83.470 2.134 7.968 1.00 0.00 C ATOM 1460 SD MET I 153 83.619 1.276 6.382 1.00 0.00 S ATOM 1461 CE MET I 153 83.934 2.739 5.364 1.00 0.00 C ATOM 0 H MET I 153 86.520 4.011 9.644 1.00 0.00 H new ATOM 0 HA MET I 153 84.405 4.841 7.936 1.00 0.00 H new ATOM 0 HB2 MET I 153 85.488 2.743 7.480 1.00 0.00 H new ATOM 0 HB3 MET I 153 85.294 2.187 9.130 1.00 0.00 H new ATOM 0 HG2 MET I 153 83.159 1.434 8.744 1.00 0.00 H new ATOM 0 HG3 MET I 153 82.701 2.904 7.906 1.00 0.00 H new ATOM 0 HE1 MET I 153 83.711 2.512 4.322 1.00 0.00 H new ATOM 0 HE2 MET I 153 83.300 3.560 5.700 1.00 0.00 H new ATOM 0 HE3 MET I 153 84.981 3.028 5.456 1.00 0.00 H new ATOM 1471 N MET I 154 83.661 3.967 11.021 1.00 0.00 N ATOM 1472 CA MET I 154 82.594 3.978 12.018 1.00 0.00 C ATOM 1473 C MET I 154 82.284 5.404 12.467 1.00 0.00 C ATOM 1474 O MET I 154 81.328 5.641 13.206 1.00 0.00 O ATOM 1475 CB MET I 154 82.997 3.148 13.237 1.00 0.00 C ATOM 1476 CG MET I 154 82.229 1.826 13.229 1.00 0.00 C ATOM 1477 SD MET I 154 81.340 1.638 14.794 1.00 0.00 S ATOM 1478 CE MET I 154 79.769 2.348 14.244 1.00 0.00 C ATOM 0 H MET I 154 84.581 3.717 11.383 1.00 0.00 H new ATOM 0 HA MET I 154 81.705 3.547 11.559 1.00 0.00 H new ATOM 0 HB2 MET I 154 84.070 2.958 13.222 1.00 0.00 H new ATOM 0 HB3 MET I 154 82.784 3.699 14.153 1.00 0.00 H new ATOM 0 HG2 MET I 154 81.528 1.805 12.395 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.918 0.993 13.087 1.00 0.00 H new ATOM 0 HE1 MET I 154 79.055 2.333 15.067 1.00 0.00 H new ATOM 0 HE2 MET I 154 79.928 3.377 13.920 1.00 0.00 H new ATOM 0 HE3 MET I 154 79.376 1.762 13.413 1.00 0.00 H new ATOM 1488 N GLN I 155 83.100 6.353 12.015 1.00 0.00 N ATOM 1489 CA GLN I 155 82.898 7.753 12.382 1.00 0.00 C ATOM 1490 C GLN I 155 81.899 8.418 11.437 1.00 0.00 C ATOM 1491 O GLN I 155 81.081 9.238 11.854 1.00 0.00 O ATOM 1492 CB GLN I 155 84.222 8.517 12.327 1.00 0.00 C ATOM 1493 CG GLN I 155 83.975 9.989 12.661 1.00 0.00 C ATOM 1494 CD GLN I 155 84.782 10.867 11.712 1.00 0.00 C ATOM 1495 OE1 GLN I 155 84.244 11.792 11.104 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.054 10.631 11.547 1.00 0.00 N ATOM 0 H GLN I 155 83.897 6.182 11.402 1.00 0.00 H new ATOM 0 HA GLN I 155 82.505 7.779 13.399 1.00 0.00 H new ATOM 0 HB2 GLN I 155 84.932 8.087 13.033 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.665 8.427 11.335 1.00 0.00 H new ATOM 0 HG2 GLN I 155 82.913 10.220 12.573 1.00 0.00 H new ATOM 0 HG3 GLN I 155 84.261 10.192 13.693 1.00 0.00 H new ATOM 0 HE21 GLN I 155 86.500 9.864 12.051 1.00 0.00 H new ATOM 0 HE22 GLN I 155 86.603 11.213 10.914 1.00 0.00 H new ATOM 1505 N ALA I 156 81.978 8.056 10.160 1.00 0.00 N ATOM 1506 CA ALA I 156 81.077 8.622 9.157 1.00 0.00 C ATOM 1507 C ALA I 156 79.751 7.866 9.132 1.00 0.00 C ATOM 1508 O ALA I 156 78.826 8.233 8.407 1.00 0.00 O ATOM 1509 CB ALA I 156 81.714 8.551 7.767 1.00 0.00 C ATOM 0 H ALA I 156 82.649 7.380 9.796 1.00 0.00 H new ATOM 0 HA ALA I 156 80.894 9.663 9.424 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.031 8.976 7.032 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.647 9.115 7.765 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.919 7.511 7.513 1.00 0.00 H new ATOM 1515 N LEU I 157 79.671 6.801 9.926 1.00 0.00 N ATOM 1516 CA LEU I 157 78.456 5.994 9.981 1.00 0.00 C ATOM 1517 C LEU I 157 77.693 6.255 11.276 1.00 0.00 C ATOM 1518 O LEU I 157 77.168 5.334 11.902 1.00 0.00 O ATOM 1519 CB LEU I 157 78.809 4.507 9.893 1.00 0.00 C ATOM 1520 CG LEU I 157 79.127 4.129 8.440 1.00 0.00 C ATOM 1521 CD1 LEU I 157 79.938 5.243 7.771 1.00 0.00 C ATOM 1522 CD2 LEU I 157 79.942 2.834 8.423 1.00 0.00 C ATOM 0 H LEU I 157 80.424 6.480 10.534 1.00 0.00 H new ATOM 0 HA LEU I 157 77.825 6.271 9.136 1.00 0.00 H new ATOM 0 HB2 LEU I 157 79.666 4.290 10.530 1.00 0.00 H new ATOM 0 HB3 LEU I 157 77.978 3.905 10.261 1.00 0.00 H new ATOM 0 HG LEU I 157 78.193 3.990 7.895 1.00 0.00 H new ATOM 0 HD11 LEU I 157 80.158 4.964 6.740 1.00 0.00 H new ATOM 0 HD12 LEU I 157 79.362 6.169 7.782 1.00 0.00 H new ATOM 0 HD13 LEU I 157 80.871 5.390 8.314 1.00 0.00 H new ATOM 0 HD21 LEU I 157 80.170 2.561 7.393 1.00 0.00 H new ATOM 0 HD22 LEU I 157 80.871 2.981 8.974 1.00 0.00 H new ATOM 0 HD23 LEU I 157 79.366 2.035 8.890 1.00 0.00 H new ATOM 1534 N LEU I 158 77.636 7.525 11.666 1.00 0.00 N ATOM 1535 CA LEU I 158 76.933 7.909 12.887 1.00 0.00 C ATOM 1536 C LEU I 158 75.475 8.235 12.578 1.00 0.00 C ATOM 1537 O LEU I 158 75.160 8.802 11.531 1.00 0.00 O ATOM 1538 CB LEU I 158 77.593 9.135 13.521 1.00 0.00 C ATOM 1539 CG LEU I 158 77.522 10.313 12.547 1.00 0.00 C ATOM 1540 CD1 LEU I 158 76.269 11.142 12.836 1.00 0.00 C ATOM 1541 CD2 LEU I 158 78.764 11.189 12.717 1.00 0.00 C ATOM 0 H LEU I 158 78.064 8.300 11.160 1.00 0.00 H new ATOM 0 HA LEU I 158 76.981 7.071 13.583 1.00 0.00 H new ATOM 0 HB2 LEU I 158 77.091 9.390 14.454 1.00 0.00 H new ATOM 0 HB3 LEU I 158 78.632 8.915 13.768 1.00 0.00 H new ATOM 0 HG LEU I 158 77.479 9.937 11.525 1.00 0.00 H new ATOM 0 HD11 LEU I 158 76.220 11.981 12.142 1.00 0.00 H new ATOM 0 HD12 LEU I 158 75.384 10.518 12.715 1.00 0.00 H new ATOM 0 HD13 LEU I 158 76.310 11.519 13.858 1.00 0.00 H new ATOM 0 HD21 LEU I 158 78.715 12.029 12.024 1.00 0.00 H new ATOM 0 HD22 LEU I 158 78.807 11.565 13.739 1.00 0.00 H new ATOM 0 HD23 LEU I 158 79.657 10.599 12.509 1.00 0.00 H new ATOM 1553 N GLY I 159 74.590 7.869 13.500 1.00 0.00 N ATOM 1554 CA GLY I 159 73.165 8.128 13.317 1.00 0.00 C ATOM 1555 C GLY I 159 72.667 7.507 12.017 1.00 0.00 C ATOM 1556 O GLY I 159 71.792 8.053 11.346 1.00 0.00 O ATOM 0 H GLY I 159 74.830 7.397 14.372 1.00 0.00 H new ATOM 0 HA2 GLY I 159 72.605 7.720 14.159 1.00 0.00 H new ATOM 0 HA3 GLY I 159 72.984 9.203 13.305 1.00 0.00 H new ATOM 1560 N ALA I 160 73.237 6.358 11.669 1.00 0.00 N ATOM 1561 CA ALA I 160 72.847 5.666 10.445 1.00 0.00 C ATOM 1562 C ALA I 160 71.349 5.374 10.450 1.00 0.00 C ATOM 1563 O ALA I 160 70.879 4.477 11.150 1.00 0.00 O ATOM 1564 CB ALA I 160 73.610 4.347 10.310 1.00 0.00 C ATOM 0 H ALA I 160 73.963 5.890 12.211 1.00 0.00 H new ATOM 0 HA ALA I 160 73.088 6.314 9.602 1.00 0.00 H new ATOM 0 HB1 ALA I 160 73.307 3.844 9.392 1.00 0.00 H new ATOM 0 HB2 ALA I 160 74.681 4.548 10.277 1.00 0.00 H new ATOM 0 HB3 ALA I 160 73.386 3.708 11.164 1.00 0.00 H new ATOM 1570 N ARG I 161 70.605 6.143 9.659 1.00 0.00 N ATOM 1571 CA ARG I 161 69.158 5.959 9.579 1.00 0.00 C ATOM 1572 C ARG I 161 68.505 6.291 10.916 1.00 0.00 C ATOM 1573 O ARG I 161 67.512 5.678 11.307 1.00 0.00 O ATOM 1574 CB ARG I 161 68.822 4.515 9.206 1.00 0.00 C ATOM 1575 CG ARG I 161 67.796 4.505 8.071 1.00 0.00 C ATOM 1576 CD ARG I 161 68.439 3.940 6.805 1.00 0.00 C ATOM 1577 NE ARG I 161 68.600 4.987 5.799 1.00 0.00 N ATOM 1578 CZ ARG I 161 67.565 5.407 5.076 1.00 0.00 C ATOM 1579 NH1 ARG I 161 66.383 4.885 5.261 1.00 0.00 N ATOM 1580 NH2 ARG I 161 67.732 6.343 4.181 1.00 0.00 N ATOM 0 H ARG I 161 70.974 6.890 9.071 1.00 0.00 H new ATOM 0 HA ARG I 161 68.775 6.630 8.810 1.00 0.00 H new ATOM 0 HB2 ARG I 161 69.725 3.988 8.898 1.00 0.00 H new ATOM 0 HB3 ARG I 161 68.425 3.987 10.073 1.00 0.00 H new ATOM 0 HG2 ARG I 161 66.933 3.902 8.353 1.00 0.00 H new ATOM 0 HG3 ARG I 161 67.433 5.516 7.887 1.00 0.00 H new ATOM 0 HD2 ARG I 161 69.410 3.507 7.046 1.00 0.00 H new ATOM 0 HD3 ARG I 161 67.822 3.136 6.405 1.00 0.00 H new ATOM 0 HE ARG I 161 69.519 5.402 5.649 1.00 0.00 H new ATOM 0 HH11 ARG I 161 66.252 4.154 5.960 1.00 0.00 H new ATOM 0 HH12 ARG I 161 65.590 5.208 4.706 1.00 0.00 H new ATOM 0 HH21 ARG I 161 68.655 6.752 4.037 1.00 0.00 H new ATOM 0 HH22 ARG I 161 66.939 6.666 3.626 1.00 0.00 H new ATOM 1594 N ALA I 162 69.077 7.268 11.613 1.00 0.00 N ATOM 1595 CA ALA I 162 68.544 7.677 12.910 1.00 0.00 C ATOM 1596 C ALA I 162 68.043 9.117 12.849 1.00 0.00 C ATOM 1597 O ALA I 162 68.145 9.866 13.820 1.00 0.00 O ATOM 1598 CB ALA I 162 69.622 7.569 13.990 1.00 0.00 C ATOM 0 H ALA I 162 69.900 7.787 11.307 1.00 0.00 H new ATOM 0 HA ALA I 162 67.715 7.014 13.158 1.00 0.00 H new ATOM 0 HB1 ALA I 162 69.208 7.878 14.950 1.00 0.00 H new ATOM 0 HB2 ALA I 162 69.966 6.537 14.058 1.00 0.00 H new ATOM 0 HB3 ALA I 162 70.461 8.215 13.732 1.00 0.00 H new ATOM 1604 N LYS I 163 67.501 9.493 11.694 1.00 0.00 N ATOM 1605 CA LYS I 163 66.984 10.847 11.510 1.00 0.00 C ATOM 1606 C LYS I 163 65.517 10.803 11.093 1.00 0.00 C ATOM 1607 O LYS I 163 64.820 11.771 11.347 1.00 0.00 O ATOM 1608 CB LYS I 163 67.784 11.587 10.437 1.00 0.00 C ATOM 1609 CG LYS I 163 67.690 10.828 9.112 1.00 0.00 C ATOM 1610 CD LYS I 163 68.801 11.301 8.171 1.00 0.00 C ATOM 1611 CE LYS I 163 69.063 10.229 7.112 1.00 0.00 C ATOM 1612 NZ LYS I 163 69.334 10.882 5.800 1.00 0.00 N ATOM 1613 OXT LYS I 163 65.112 9.801 10.527 1.00 0.00 O ATOM 0 H LYS I 163 67.408 8.887 10.879 1.00 0.00 H new ATOM 0 HA LYS I 163 67.079 11.374 12.459 1.00 0.00 H new ATOM 0 HB2 LYS I 163 67.399 12.600 10.316 1.00 0.00 H new ATOM 0 HB3 LYS I 163 68.826 11.677 10.743 1.00 0.00 H new ATOM 0 HG2 LYS I 163 67.780 9.756 9.288 1.00 0.00 H new ATOM 0 HG3 LYS I 163 66.715 10.995 8.654 1.00 0.00 H new ATOM 0 HD2 LYS I 163 68.513 12.237 7.693 1.00 0.00 H new ATOM 0 HD3 LYS I 163 69.712 11.499 8.737 1.00 0.00 H new ATOM 0 HE2 LYS I 163 69.913 9.613 7.406 1.00 0.00 H new ATOM 0 HE3 LYS I 163 68.202 9.566 7.029 1.00 0.00 H new ATOM 0 HZ1 LYS I 163 69.512 10.153 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS I 163 68.511 11.452 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS I 163 70.169 11.497 5.884 1.00 0.00 H new TER 1627 LYS I 163 HETATM 1628 CA CA C 93 83.724 -1.753 -11.399 1.00 0.00 CA HETATM 1629 C1 BEP C 92 92.499 4.042 0.484 1.00 0.00 C HETATM 1630 C2 BEP C 92 91.803 2.918 -0.284 1.00 0.00 C HETATM 1631 C3 BEP C 92 90.287 2.837 0.112 1.00 0.00 C HETATM 1632 O1 BEP C 92 93.857 4.191 0.003 1.00 0.00 O HETATM 1633 N2 BEP C 92 92.481 1.616 -0.023 1.00 0.00 N HETATM 1634 N3 BEP C 92 89.486 3.889 -0.575 1.00 0.00 N HETATM 1635 C4 BEP C 92 94.877 3.610 0.853 1.00 0.00 C HETATM 1636 C5 BEP C 92 96.057 3.165 -0.012 1.00 0.00 C HETATM 1637 C6 BEP C 92 96.340 1.682 0.234 1.00 0.00 C HETATM 1638 C7 BEP C 92 97.293 3.988 0.352 1.00 0.00 C HETATM 1639 C8 BEP C 92 92.433 1.061 1.357 1.00 0.00 C HETATM 1640 C9 BEP C 92 92.291 -0.461 1.181 1.00 0.00 C HETATM 1641 C10 BEP C 92 92.750 -0.713 -0.263 1.00 0.00 C HETATM 1642 C11 BEP C 92 92.297 0.526 -1.010 1.00 0.00 C HETATM 1643 C12 BEP C 92 89.061 5.077 0.218 1.00 0.00 C HETATM 1644 C13 BEP C 92 88.912 4.882 1.749 1.00 0.00 C HETATM 1645 C14 BEP C 92 90.051 4.856 2.566 1.00 0.00 C HETATM 1646 C15 BEP C 92 89.916 4.681 3.949 1.00 0.00 C HETATM 1647 C16 BEP C 92 88.643 4.531 4.515 1.00 0.00 C HETATM 1648 C17 BEP C 92 87.505 4.557 3.698 1.00 0.00 C HETATM 1649 C18 BEP C 92 87.640 4.732 2.315 1.00 0.00 C HETATM 1650 C19 BEP C 92 88.547 3.425 -1.620 1.00 0.00 C HETATM 1651 C20 BEP C 92 88.570 4.013 -2.891 1.00 0.00 C HETATM 1652 C21 BEP C 92 87.681 3.576 -3.882 1.00 0.00 C HETATM 1653 C22 BEP C 92 86.769 2.552 -3.601 1.00 0.00 C HETATM 1654 C23 BEP C 92 86.744 1.963 -2.331 1.00 0.00 C HETATM 1655 C24 BEP C 92 87.633 2.400 -1.339 1.00 0.00 C HETATM 0 H241 BEP C 92 87.614 1.943 -0.350 1.00 0.00 H new HETATM 0 H231 BEP C 92 86.034 1.165 -2.114 1.00 0.00 H new HETATM 0 H221 BEP C 92 86.077 2.213 -4.372 1.00 0.00 H new HETATM 0 H211 BEP C 92 87.700 4.033 -4.871 1.00 0.00 H new HETATM 0 H201 BEP C 92 89.280 4.811 -3.109 1.00 0.00 H new HETATM 0 H181 BEP C 92 86.755 4.751 1.679 1.00 0.00 H new HETATM 0 H171 BEP C 92 86.515 4.441 4.139 1.00 0.00 H new HETATM 0 H161 BEP C 92 88.538 4.394 5.591 1.00 0.00 H new HETATM 0 H151 BEP C 92 90.801 4.661 4.585 1.00 0.00 H new HETATM 0 H141 BEP C 92 91.041 4.972 2.125 1.00 0.00 H new HETATM 0 H122 BEP C 92 89.783 5.875 0.046 1.00 0.00 H new HETATM 0 H121 BEP C 92 88.105 5.422 -0.175 1.00 0.00 H new HETATM 0 H112 BEP C 92 91.258 0.445 -1.328 1.00 0.00 H new HETATM 0 H111 BEP C 92 92.893 0.693 -1.907 1.00 0.00 H new HETATM 0 H102 BEP C 92 93.831 -0.843 -0.322 1.00 0.00 H new HETATM 0 H101 BEP C 92 92.298 -1.615 -0.674 1.00 0.00 H new HETATM 0 H92 BEP C 92 92.908 -1.005 1.896 1.00 0.00 H new HETATM 0 H91 BEP C 92 91.262 -0.786 1.335 1.00 0.00 H new HETATM 0 H82 BEP C 92 93.338 1.310 1.912 1.00 0.00 H new HETATM 0 H81 BEP C 92 91.593 1.472 1.917 1.00 0.00 H new HETATM 0 H73 BEP C 92 97.091 5.045 0.176 1.00 0.00 H new HETATM 0 H72 BEP C 92 97.535 3.835 1.404 1.00 0.00 H new HETATM 0 H71 BEP C 92 98.135 3.672 -0.264 1.00 0.00 H new HETATM 0 H63 BEP C 92 96.582 1.527 1.285 1.00 0.00 H new HETATM 0 H62 BEP C 92 95.459 1.095 -0.025 1.00 0.00 H new HETATM 0 H61 BEP C 92 97.181 1.365 -0.383 1.00 0.00 H new HETATM 0 H51 BEP C 92 95.815 3.318 -1.064 1.00 0.00 H new HETATM 0 H42 BEP C 92 95.208 4.338 1.594 1.00 0.00 H new HETATM 0 H41 BEP C 92 94.470 2.760 1.400 1.00 0.00 H new HETATM 0 H32 BEP C 92 89.895 1.853 -0.146 1.00 0.00 H new HETATM 0 H31 BEP C 92 90.185 2.948 1.192 1.00 0.00 H new HETATM 0 H21 BEP C 92 91.868 3.136 -1.350 1.00 0.00 H new HETATM 0 H12 BEP C 92 91.953 4.976 0.356 1.00 0.00 H new HETATM 0 H11 BEP C 92 92.503 3.819 1.551 1.00 0.00 H new