USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= -2.98 K(o=-8.1,f=-9.8!) USER MOD Set 1.2: A 39 GLN : amide:sc= -5.16! C(o=-8.1!,f=-17!) USER MOD Set 2.1: A 12 CYS SG : rot -56:sc= -4.1! USER MOD Set 2.2: A 16 GLN : amide:sc= -10.3! C(o=-14!,f=-15!) USER MOD Single : A 1 MET CE :methyl -177:sc= -10.9! (180deg=-11.2!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.748 K(o=-0.75,f=-3!) USER MOD Single : A 6 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.023) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 10 MET CE :methyl 148:sc= -8.51! (180deg=-10.9!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 124:sc= 1.15 USER MOD Single : A 19 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.46) USER MOD Single : A 24 GLN : amide:sc= -3.55! C(o=-3.6!,f=-5.8!) USER MOD Single : A 27 GLN : amide:sc= -3.22 K(o=-3.2,f=-5.3!) USER MOD Single : A 29 GLN : amide:sc= 0.127 K(o=0.13,f=-7.3!) USER MOD Single : A 38 GLN : amide:sc= -1.72! C(o=-1.7!,f=-1.9!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 48 GLN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -1.97 K(o=-2,f=-1.5) USER MOD Single : A 52 GLN : amide:sc= -2.81! C(o=-2.8!,f=-1.5!) USER MOD Single : A 56 GLN : amide:sc= -0.669 K(o=-0.67,f=-3.5!) USER MOD Single : A 61 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.605 1.501 1.734 1.00 0.00 N ATOM 2 CA MET A 1 13.549 2.068 0.848 1.00 0.00 C ATOM 3 C MET A 1 12.671 3.052 1.616 1.00 0.00 C ATOM 4 O MET A 1 12.713 3.133 2.828 1.00 0.00 O ATOM 5 CB MET A 1 12.762 0.864 0.339 1.00 0.00 C ATOM 6 CG MET A 1 11.469 0.688 1.103 1.00 0.00 C ATOM 7 SD MET A 1 10.180 1.668 0.316 1.00 0.00 S ATOM 8 CE MET A 1 9.613 0.459 -0.900 1.00 0.00 C ATOM 0 H1 MET A 1 15.191 0.834 1.193 1.00 0.00 H new ATOM 0 H2 MET A 1 15.202 2.270 2.098 1.00 0.00 H new ATOM 0 H3 MET A 1 14.159 1.002 2.530 1.00 0.00 H new ATOM 0 HA MET A 1 13.965 2.638 0.017 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.545 0.991 -0.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.369 -0.036 0.435 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.183 -0.364 1.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.599 1.001 2.139 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.842 0.907 -1.526 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.452 0.149 -1.523 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.203 -0.410 -0.385 1.00 0.00 H new ATOM 20 N GLN A 2 11.877 3.797 0.910 1.00 0.00 N ATOM 21 CA GLN A 2 10.991 4.778 1.577 1.00 0.00 C ATOM 22 C GLN A 2 9.711 4.932 0.804 1.00 0.00 C ATOM 23 O GLN A 2 9.597 4.548 -0.347 1.00 0.00 O ATOM 24 CB GLN A 2 11.785 6.066 1.570 1.00 0.00 C ATOM 25 CG GLN A 2 11.027 7.188 2.280 1.00 0.00 C ATOM 26 CD GLN A 2 11.515 8.536 1.746 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.237 8.591 0.770 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.152 9.633 2.350 1.00 0.00 N ATOM 0 H GLN A 2 11.804 3.768 -0.107 1.00 0.00 H new ATOM 0 HA GLN A 2 10.708 4.475 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.746 5.906 2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.996 6.360 0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.955 7.083 2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.189 7.129 3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.546 9.588 3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.474 10.537 2.003 1.00 0.00 H new ATOM 37 N ILE A 3 8.719 5.419 1.466 1.00 0.00 N ATOM 38 CA ILE A 3 7.412 5.523 0.829 1.00 0.00 C ATOM 39 C ILE A 3 6.644 6.718 1.330 1.00 0.00 C ATOM 40 O ILE A 3 7.020 7.385 2.271 1.00 0.00 O ATOM 41 CB ILE A 3 6.705 4.234 1.269 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.871 4.474 2.543 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.752 3.153 1.543 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.853 3.212 3.419 1.00 0.00 C ATOM 0 H ILE A 3 8.764 5.751 2.429 1.00 0.00 H new ATOM 0 HA ILE A 3 7.488 5.644 -0.252 1.00 0.00 H new ATOM 0 HB ILE A 3 6.035 3.913 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.288 5.309 3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.852 4.750 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.254 2.235 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.325 2.963 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.424 3.489 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.260 3.399 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.414 2.386 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.872 2.954 3.706 1.00 0.00 H new ATOM 56 N LEU A 4 5.522 6.923 0.748 1.00 0.00 N ATOM 57 CA LEU A 4 4.644 7.991 1.212 1.00 0.00 C ATOM 58 C LEU A 4 3.297 7.356 1.509 1.00 0.00 C ATOM 59 O LEU A 4 2.584 6.948 0.614 1.00 0.00 O ATOM 60 CB LEU A 4 4.530 8.977 0.059 1.00 0.00 C ATOM 61 CG LEU A 4 3.634 10.134 0.505 1.00 0.00 C ATOM 62 CD1 LEU A 4 2.192 9.656 0.491 1.00 0.00 C ATOM 63 CD2 LEU A 4 4.022 10.547 1.922 1.00 0.00 C ATOM 0 H LEU A 4 5.170 6.385 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 4 5.009 8.500 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.516 9.347 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.109 8.487 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 4 3.750 10.987 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.537 10.468 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.922 9.343 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.081 8.814 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.388 11.372 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.891 9.701 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.065 10.864 1.936 1.00 0.00 H new ATOM 75 N PHE A 5 2.935 7.256 2.744 1.00 0.00 N ATOM 76 CA PHE A 5 1.627 6.638 3.058 1.00 0.00 C ATOM 77 C PHE A 5 0.655 7.736 3.497 1.00 0.00 C ATOM 78 O PHE A 5 0.736 8.254 4.590 1.00 0.00 O ATOM 79 CB PHE A 5 1.929 5.646 4.178 1.00 0.00 C ATOM 80 CG PHE A 5 0.669 4.930 4.575 1.00 0.00 C ATOM 81 CD1 PHE A 5 0.075 4.014 3.699 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.095 5.181 5.822 1.00 0.00 C ATOM 83 CE1 PHE A 5 -1.095 3.346 4.076 1.00 0.00 C ATOM 84 CE2 PHE A 5 -1.073 4.513 6.200 1.00 0.00 C ATOM 85 CZ PHE A 5 -1.670 3.597 5.327 1.00 0.00 C ATOM 0 H PHE A 5 3.480 7.571 3.547 1.00 0.00 H new ATOM 0 HA PHE A 5 1.160 6.131 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.678 4.927 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.347 6.170 5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.519 3.823 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.553 5.891 6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.554 2.637 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.515 4.704 7.167 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.574 3.084 5.618 1.00 0.00 H new ATOM 95 N ASN A 6 -0.241 8.120 2.630 1.00 0.00 N ATOM 96 CA ASN A 6 -1.187 9.215 2.971 1.00 0.00 C ATOM 97 C ASN A 6 -0.396 10.481 3.246 1.00 0.00 C ATOM 98 O ASN A 6 -0.476 11.091 4.293 1.00 0.00 O ATOM 99 CB ASN A 6 -1.977 8.755 4.194 1.00 0.00 C ATOM 100 CG ASN A 6 -3.283 9.553 4.286 1.00 0.00 C ATOM 101 OD1 ASN A 6 -3.560 10.176 5.292 1.00 0.00 O ATOM 102 ND2 ASN A 6 -4.105 9.559 3.271 1.00 0.00 N ATOM 0 H ASN A 6 -0.358 7.721 1.699 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.879 9.435 2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.193 7.689 4.121 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.385 8.899 5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.977 10.086 3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.875 9.037 2.425 1.00 0.00 H new ATOM 109 N ASP A 7 0.371 10.852 2.280 1.00 0.00 N ATOM 110 CA ASP A 7 1.221 12.064 2.377 1.00 0.00 C ATOM 111 C ASP A 7 2.161 11.956 3.581 1.00 0.00 C ATOM 112 O ASP A 7 2.730 12.933 4.030 1.00 0.00 O ATOM 113 CB ASP A 7 0.259 13.230 2.526 1.00 0.00 C ATOM 114 CG ASP A 7 -0.953 13.027 1.608 1.00 0.00 C ATOM 115 OD1 ASP A 7 -1.823 12.250 1.969 1.00 0.00 O ATOM 116 OD2 ASP A 7 -0.986 13.646 0.557 1.00 0.00 O ATOM 0 H ASP A 7 0.451 10.353 1.394 1.00 0.00 H new ATOM 0 HA ASP A 7 1.855 12.192 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.068 13.312 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.763 14.163 2.276 1.00 0.00 H new ATOM 121 N GLN A 8 2.364 10.766 4.075 1.00 0.00 N ATOM 122 CA GLN A 8 3.309 10.583 5.219 1.00 0.00 C ATOM 123 C GLN A 8 4.512 9.763 4.758 1.00 0.00 C ATOM 124 O GLN A 8 4.381 8.641 4.328 1.00 0.00 O ATOM 125 CB GLN A 8 2.530 9.827 6.281 1.00 0.00 C ATOM 126 CG GLN A 8 1.313 10.650 6.675 1.00 0.00 C ATOM 127 CD GLN A 8 1.580 11.360 8.002 1.00 0.00 C ATOM 128 OE1 GLN A 8 2.672 11.833 8.241 1.00 0.00 O ATOM 129 NE2 GLN A 8 0.620 11.454 8.882 1.00 0.00 N ATOM 0 H GLN A 8 1.919 9.912 3.739 1.00 0.00 H new ATOM 0 HA GLN A 8 3.681 11.533 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.220 8.854 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.159 9.643 7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.090 11.382 5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.439 10.005 6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.297 11.056 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.787 11.925 9.771 1.00 0.00 H new ATOM 138 N ALA A 9 5.679 10.316 4.830 1.00 0.00 N ATOM 139 CA ALA A 9 6.884 9.564 4.369 1.00 0.00 C ATOM 140 C ALA A 9 7.193 8.373 5.286 1.00 0.00 C ATOM 141 O ALA A 9 6.900 8.382 6.464 1.00 0.00 O ATOM 142 CB ALA A 9 8.017 10.582 4.398 1.00 0.00 C ATOM 0 H ALA A 9 5.860 11.254 5.186 1.00 0.00 H new ATOM 0 HA ALA A 9 6.736 9.139 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.942 10.106 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.779 11.410 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.142 10.959 5.413 1.00 0.00 H new ATOM 148 N MET A 10 7.773 7.338 4.732 1.00 0.00 N ATOM 149 CA MET A 10 8.095 6.114 5.548 1.00 0.00 C ATOM 150 C MET A 10 9.330 5.378 5.044 1.00 0.00 C ATOM 151 O MET A 10 9.925 5.724 4.050 1.00 0.00 O ATOM 152 CB MET A 10 6.951 5.162 5.291 1.00 0.00 C ATOM 153 CG MET A 10 6.664 4.320 6.530 1.00 0.00 C ATOM 154 SD MET A 10 5.367 5.100 7.517 1.00 0.00 S ATOM 155 CE MET A 10 4.049 4.935 6.295 1.00 0.00 C ATOM 0 H MET A 10 8.040 7.282 3.749 1.00 0.00 H new ATOM 0 HA MET A 10 8.255 6.413 6.584 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.059 5.723 5.012 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.194 4.511 4.451 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.355 3.317 6.235 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.571 4.212 7.125 1.00 0.00 H new ATOM 0 HE1 MET A 10 3.094 4.805 6.805 1.00 0.00 H new ATOM 0 HE2 MET A 10 4.011 5.832 5.677 1.00 0.00 H new ATOM 0 HE3 MET A 10 4.245 4.068 5.664 1.00 0.00 H new ATOM 165 N GLN A 11 9.644 4.291 5.696 1.00 0.00 N ATOM 166 CA GLN A 11 10.759 3.432 5.241 1.00 0.00 C ATOM 167 C GLN A 11 10.400 1.979 5.513 1.00 0.00 C ATOM 168 O GLN A 11 10.128 1.575 6.626 1.00 0.00 O ATOM 169 CB GLN A 11 12.011 3.796 6.020 1.00 0.00 C ATOM 170 CG GLN A 11 11.834 5.125 6.763 1.00 0.00 C ATOM 171 CD GLN A 11 13.140 5.493 7.466 1.00 0.00 C ATOM 172 OE1 GLN A 11 13.443 4.973 8.521 1.00 0.00 O ATOM 173 NE2 GLN A 11 13.931 6.377 6.924 1.00 0.00 N ATOM 0 H GLN A 11 9.165 3.963 6.535 1.00 0.00 H new ATOM 0 HA GLN A 11 10.935 3.576 4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.241 3.005 6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.859 3.867 5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.552 5.911 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.027 5.042 7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.677 6.814 6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.804 6.632 7.386 1.00 0.00 H new ATOM 182 N CYS A 12 10.391 1.208 4.485 1.00 0.00 N ATOM 183 CA CYS A 12 10.044 -0.242 4.608 1.00 0.00 C ATOM 184 C CYS A 12 10.982 -1.105 3.770 1.00 0.00 C ATOM 185 O CYS A 12 12.097 -0.731 3.467 1.00 0.00 O ATOM 186 CB CYS A 12 8.612 -0.359 4.087 1.00 0.00 C ATOM 187 SG CYS A 12 8.596 -0.165 2.288 1.00 0.00 S ATOM 0 H CYS A 12 10.612 1.513 3.537 1.00 0.00 H new ATOM 0 HA CYS A 12 10.139 -0.588 5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.194 -1.327 4.361 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.984 0.402 4.550 1.00 0.00 H new ATOM 0 HG CYS A 12 9.145 0.970 1.969 1.00 0.00 H new ATOM 193 N ALA A 13 10.531 -2.272 3.420 1.00 0.00 N ATOM 194 CA ALA A 13 11.368 -3.203 2.626 1.00 0.00 C ATOM 195 C ALA A 13 11.239 -2.937 1.125 1.00 0.00 C ATOM 196 O ALA A 13 10.253 -3.289 0.511 1.00 0.00 O ATOM 197 CB ALA A 13 10.817 -4.589 2.953 1.00 0.00 C ATOM 0 H ALA A 13 9.603 -2.625 3.655 1.00 0.00 H new ATOM 0 HA ALA A 13 12.425 -3.092 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.381 -5.344 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.908 -4.774 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.767 -4.641 2.664 1.00 0.00 H new ATOM 203 N ALA A 14 12.226 -2.340 0.517 1.00 0.00 N ATOM 204 CA ALA A 14 12.127 -2.100 -0.950 1.00 0.00 C ATOM 205 C ALA A 14 12.020 -3.431 -1.681 1.00 0.00 C ATOM 206 O ALA A 14 12.722 -4.378 -1.387 1.00 0.00 O ATOM 207 CB ALA A 14 13.413 -1.404 -1.365 1.00 0.00 C ATOM 0 H ALA A 14 13.083 -2.013 0.963 1.00 0.00 H new ATOM 0 HA ALA A 14 11.250 -1.499 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.390 -1.205 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.509 -0.463 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.264 -2.044 -1.133 1.00 0.00 H new ATOM 213 N GLY A 15 11.146 -3.505 -2.630 1.00 0.00 N ATOM 214 CA GLY A 15 10.977 -4.764 -3.391 1.00 0.00 C ATOM 215 C GLY A 15 9.891 -5.611 -2.731 1.00 0.00 C ATOM 216 O GLY A 15 9.534 -6.667 -3.215 1.00 0.00 O ATOM 0 H GLY A 15 10.534 -2.741 -2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.706 -4.545 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.917 -5.315 -3.419 1.00 0.00 H new ATOM 220 N GLN A 16 9.363 -5.153 -1.629 1.00 0.00 N ATOM 221 CA GLN A 16 8.296 -5.923 -0.931 1.00 0.00 C ATOM 222 C GLN A 16 6.914 -5.465 -1.427 1.00 0.00 C ATOM 223 O GLN A 16 6.670 -4.285 -1.561 1.00 0.00 O ATOM 224 CB GLN A 16 8.508 -5.590 0.555 1.00 0.00 C ATOM 225 CG GLN A 16 7.517 -4.516 1.037 1.00 0.00 C ATOM 226 CD GLN A 16 7.491 -4.493 2.564 1.00 0.00 C ATOM 227 OE1 GLN A 16 7.437 -5.528 3.196 1.00 0.00 O ATOM 228 NE2 GLN A 16 7.530 -3.351 3.186 1.00 0.00 N ATOM 0 H GLN A 16 9.626 -4.275 -1.181 1.00 0.00 H new ATOM 0 HA GLN A 16 8.342 -6.997 -1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.387 -6.493 1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.529 -5.240 0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.809 -3.539 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.520 -4.726 0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.575 -2.482 2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.515 -3.325 4.206 1.00 0.00 H new ATOM 237 N THR A 17 6.009 -6.364 -1.705 1.00 0.00 N ATOM 238 CA THR A 17 4.668 -5.918 -2.190 1.00 0.00 C ATOM 239 C THR A 17 3.973 -5.015 -1.188 1.00 0.00 C ATOM 240 O THR A 17 4.521 -4.594 -0.191 1.00 0.00 O ATOM 241 CB THR A 17 3.782 -7.152 -2.322 1.00 0.00 C ATOM 242 OG1 THR A 17 3.281 -7.499 -1.040 1.00 0.00 O ATOM 243 CG2 THR A 17 4.538 -8.337 -2.890 1.00 0.00 C ATOM 0 H THR A 17 6.135 -7.373 -1.620 1.00 0.00 H new ATOM 0 HA THR A 17 4.816 -5.383 -3.128 1.00 0.00 H new ATOM 0 HB THR A 17 2.971 -6.910 -3.009 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.302 -7.523 -1.067 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.868 -9.193 -2.966 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.919 -8.085 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.371 -8.586 -2.233 1.00 0.00 H new ATOM 251 N VAL A 18 2.725 -4.778 -1.462 1.00 0.00 N ATOM 252 CA VAL A 18 1.862 -3.967 -0.570 1.00 0.00 C ATOM 253 C VAL A 18 1.484 -4.817 0.598 1.00 0.00 C ATOM 254 O VAL A 18 1.728 -4.490 1.736 1.00 0.00 O ATOM 255 CB VAL A 18 0.633 -3.769 -1.379 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.380 -2.967 -0.592 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.004 -3.101 -2.682 1.00 0.00 C ATOM 0 H VAL A 18 2.253 -5.126 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 18 2.330 -3.044 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 18 0.171 -4.729 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.279 -2.826 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.635 -3.501 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.043 -1.995 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.107 -2.952 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.468 -2.136 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.705 -3.732 -3.228 1.00 0.00 H new ATOM 267 N HIS A 19 0.948 -5.973 0.308 1.00 0.00 N ATOM 268 CA HIS A 19 0.623 -6.906 1.392 1.00 0.00 C ATOM 269 C HIS A 19 1.884 -6.979 2.225 1.00 0.00 C ATOM 270 O HIS A 19 1.867 -7.153 3.430 1.00 0.00 O ATOM 271 CB HIS A 19 0.367 -8.226 0.672 1.00 0.00 C ATOM 272 CG HIS A 19 -0.127 -9.254 1.651 1.00 0.00 C ATOM 273 ND1 HIS A 19 -1.456 -9.645 1.704 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.517 -9.978 2.623 1.00 0.00 C ATOM 275 CE1 HIS A 19 -1.569 -10.565 2.679 1.00 0.00 C ATOM 276 NE2 HIS A 19 -0.396 -10.806 3.272 1.00 0.00 N ATOM 0 H HIS A 19 0.727 -6.298 -0.633 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.225 -6.641 2.023 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.368 -8.082 -0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.284 -8.575 0.196 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.571 -9.915 2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.495 -11.050 2.950 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.209 -11.456 4.035 1.00 0.00 H new ATOM 284 N GLU A 20 2.985 -6.762 1.551 1.00 0.00 N ATOM 285 CA GLU A 20 4.294 -6.741 2.251 1.00 0.00 C ATOM 286 C GLU A 20 4.519 -5.357 2.858 1.00 0.00 C ATOM 287 O GLU A 20 5.031 -5.226 3.950 1.00 0.00 O ATOM 288 CB GLU A 20 5.337 -7.060 1.180 1.00 0.00 C ATOM 289 CG GLU A 20 5.410 -8.576 0.978 1.00 0.00 C ATOM 290 CD GLU A 20 5.817 -9.245 2.293 1.00 0.00 C ATOM 291 OE1 GLU A 20 6.904 -8.961 2.770 1.00 0.00 O ATOM 292 OE2 GLU A 20 5.037 -10.034 2.800 1.00 0.00 O ATOM 0 H GLU A 20 3.028 -6.599 0.545 1.00 0.00 H new ATOM 0 HA GLU A 20 4.349 -7.461 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.074 -6.569 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.312 -6.674 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.444 -8.957 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.131 -8.816 0.197 1.00 0.00 H new ATOM 299 N LEU A 21 4.133 -4.318 2.162 1.00 0.00 N ATOM 300 CA LEU A 21 4.325 -2.950 2.720 1.00 0.00 C ATOM 301 C LEU A 21 3.325 -2.717 3.860 1.00 0.00 C ATOM 302 O LEU A 21 3.700 -2.403 4.972 1.00 0.00 O ATOM 303 CB LEU A 21 4.069 -2.003 1.533 1.00 0.00 C ATOM 304 CG LEU A 21 4.709 -0.610 1.743 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.608 0.442 1.822 1.00 0.00 C ATOM 306 CD2 LEU A 21 5.542 -0.556 3.030 1.00 0.00 C ATOM 0 H LEU A 21 3.698 -4.359 1.241 1.00 0.00 H new ATOM 0 HA LEU A 21 5.318 -2.791 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.468 -2.450 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.995 -1.888 1.388 1.00 0.00 H new ATOM 0 HG LEU A 21 5.371 -0.414 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.054 1.425 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.035 0.439 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.946 0.214 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.975 0.438 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.903 -0.772 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.341 -1.296 2.978 1.00 0.00 H new ATOM 318 N LEU A 22 2.057 -2.893 3.601 1.00 0.00 N ATOM 319 CA LEU A 22 1.039 -2.707 4.674 1.00 0.00 C ATOM 320 C LEU A 22 1.419 -3.511 5.906 1.00 0.00 C ATOM 321 O LEU A 22 1.534 -2.991 6.997 1.00 0.00 O ATOM 322 CB LEU A 22 -0.246 -3.281 4.089 1.00 0.00 C ATOM 323 CG LEU A 22 -0.907 -2.244 3.205 1.00 0.00 C ATOM 324 CD1 LEU A 22 -2.110 -2.870 2.508 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.370 -1.096 4.089 1.00 0.00 C ATOM 0 H LEU A 22 1.682 -3.158 2.690 1.00 0.00 H new ATOM 0 HA LEU A 22 0.948 -1.662 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.026 -4.179 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.923 -3.576 4.891 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.208 -1.881 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.589 -2.127 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.780 -3.712 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.822 -3.220 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.850 -0.335 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.081 -1.469 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.511 -0.661 4.600 1.00 0.00 H new ATOM 337 N GLU A 23 1.605 -4.781 5.733 1.00 0.00 N ATOM 338 CA GLU A 23 1.971 -5.636 6.898 1.00 0.00 C ATOM 339 C GLU A 23 3.191 -5.056 7.612 1.00 0.00 C ATOM 340 O GLU A 23 3.227 -4.975 8.824 1.00 0.00 O ATOM 341 CB GLU A 23 2.304 -6.999 6.309 1.00 0.00 C ATOM 342 CG GLU A 23 2.453 -8.022 7.439 1.00 0.00 C ATOM 343 CD GLU A 23 1.132 -8.141 8.200 1.00 0.00 C ATOM 344 OE1 GLU A 23 0.839 -7.252 8.982 1.00 0.00 O ATOM 345 OE2 GLU A 23 0.436 -9.120 7.990 1.00 0.00 O ATOM 0 H GLU A 23 1.521 -5.269 4.841 1.00 0.00 H new ATOM 0 HA GLU A 23 1.166 -5.696 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.518 -7.312 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.227 -6.942 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.738 -8.992 7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.249 -7.716 8.118 1.00 0.00 H new ATOM 352 N GLN A 24 4.186 -4.634 6.879 1.00 0.00 N ATOM 353 CA GLN A 24 5.378 -4.047 7.545 1.00 0.00 C ATOM 354 C GLN A 24 4.933 -2.818 8.332 1.00 0.00 C ATOM 355 O GLN A 24 5.254 -2.646 9.491 1.00 0.00 O ATOM 356 CB GLN A 24 6.314 -3.644 6.409 1.00 0.00 C ATOM 357 CG GLN A 24 7.611 -3.077 6.992 1.00 0.00 C ATOM 358 CD GLN A 24 7.362 -1.659 7.509 1.00 0.00 C ATOM 359 OE1 GLN A 24 6.696 -0.872 6.863 1.00 0.00 O ATOM 360 NE2 GLN A 24 7.875 -1.295 8.654 1.00 0.00 N ATOM 0 H GLN A 24 4.223 -4.670 5.860 1.00 0.00 H new ATOM 0 HA GLN A 24 5.868 -4.735 8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.532 -4.507 5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.833 -2.900 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.967 -3.714 7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.390 -3.066 6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.433 -1.955 9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.717 -0.351 9.006 1.00 0.00 H new ATOM 369 N LEU A 25 4.167 -1.977 7.697 1.00 0.00 N ATOM 370 CA LEU A 25 3.652 -0.763 8.370 1.00 0.00 C ATOM 371 C LEU A 25 2.739 -1.177 9.525 1.00 0.00 C ATOM 372 O LEU A 25 2.465 -0.403 10.420 1.00 0.00 O ATOM 373 CB LEU A 25 2.854 -0.053 7.279 1.00 0.00 C ATOM 374 CG LEU A 25 3.788 0.367 6.140 1.00 0.00 C ATOM 375 CD1 LEU A 25 2.984 0.503 4.846 1.00 0.00 C ATOM 376 CD2 LEU A 25 4.437 1.713 6.468 1.00 0.00 C ATOM 0 H LEU A 25 3.874 -2.085 6.726 1.00 0.00 H new ATOM 0 HA LEU A 25 4.434 -0.129 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.075 -0.713 6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.355 0.823 7.693 1.00 0.00 H new ATOM 0 HG LEU A 25 4.563 -0.390 6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.648 0.802 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.522 -0.454 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.209 1.258 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.100 2.005 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.662 2.469 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.012 1.625 7.390 1.00 0.00 H new ATOM 388 N ASP A 26 2.260 -2.399 9.487 1.00 0.00 N ATOM 389 CA ASP A 26 1.345 -2.920 10.546 1.00 0.00 C ATOM 390 C ASP A 26 -0.074 -2.397 10.315 1.00 0.00 C ATOM 391 O ASP A 26 -0.820 -2.149 11.240 1.00 0.00 O ATOM 392 CB ASP A 26 1.903 -2.412 11.870 1.00 0.00 C ATOM 393 CG ASP A 26 1.350 -3.261 13.015 1.00 0.00 C ATOM 394 OD1 ASP A 26 0.141 -3.278 13.183 1.00 0.00 O ATOM 395 OD2 ASP A 26 2.143 -3.880 13.705 1.00 0.00 O ATOM 0 H ASP A 26 2.472 -3.069 8.748 1.00 0.00 H new ATOM 0 HA ASP A 26 1.290 -4.009 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.992 -2.460 11.860 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.631 -1.366 12.014 1.00 0.00 H new ATOM 400 N GLN A 27 -0.448 -2.246 9.077 1.00 0.00 N ATOM 401 CA GLN A 27 -1.820 -1.756 8.745 1.00 0.00 C ATOM 402 C GLN A 27 -2.418 -2.663 7.665 1.00 0.00 C ATOM 403 O GLN A 27 -1.924 -2.726 6.557 1.00 0.00 O ATOM 404 CB GLN A 27 -1.635 -0.316 8.232 1.00 0.00 C ATOM 405 CG GLN A 27 -0.260 -0.146 7.570 1.00 0.00 C ATOM 406 CD GLN A 27 -0.055 1.326 7.198 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.300 1.640 6.079 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.269 2.250 8.099 1.00 0.00 N ATOM 0 H GLN A 27 0.143 -2.443 8.269 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.498 -1.772 9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.421 -0.077 7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.734 0.386 9.060 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.527 -0.474 8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.193 -0.771 6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.567 1.987 9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.138 3.233 7.862 1.00 0.00 H new ATOM 417 N ARG A 28 -3.462 -3.389 7.985 1.00 0.00 N ATOM 418 CA ARG A 28 -4.057 -4.313 6.984 1.00 0.00 C ATOM 419 C ARG A 28 -5.028 -3.575 6.060 1.00 0.00 C ATOM 420 O ARG A 28 -4.622 -2.778 5.240 1.00 0.00 O ATOM 421 CB ARG A 28 -4.784 -5.374 7.812 1.00 0.00 C ATOM 422 CG ARG A 28 -3.774 -6.385 8.349 1.00 0.00 C ATOM 423 CD ARG A 28 -3.239 -7.217 7.185 1.00 0.00 C ATOM 424 NE ARG A 28 -2.883 -8.534 7.782 1.00 0.00 N ATOM 425 CZ ARG A 28 -2.288 -9.441 7.054 1.00 0.00 C ATOM 426 NH1 ARG A 28 -2.174 -9.272 5.766 1.00 0.00 N ATOM 427 NH2 ARG A 28 -1.807 -10.517 7.613 1.00 0.00 N ATOM 0 H ARG A 28 -3.923 -3.378 8.895 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.300 -4.750 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.317 -4.903 8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.530 -5.880 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.955 -5.869 8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.245 -7.032 9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.989 -7.329 6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.370 -6.743 6.728 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.104 -8.728 8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.549 -8.431 5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.709 -9.980 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.895 -10.651 8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.343 -11.224 7.043 1.00 0.00 H new ATOM 441 N GLN A 29 -6.305 -3.849 6.167 1.00 0.00 N ATOM 442 CA GLN A 29 -7.283 -3.179 5.273 1.00 0.00 C ATOM 443 C GLN A 29 -8.700 -3.745 5.466 1.00 0.00 C ATOM 444 O GLN A 29 -9.664 -3.006 5.505 1.00 0.00 O ATOM 445 CB GLN A 29 -6.766 -3.472 3.865 1.00 0.00 C ATOM 446 CG GLN A 29 -6.290 -4.927 3.757 1.00 0.00 C ATOM 447 CD GLN A 29 -7.005 -5.616 2.590 1.00 0.00 C ATOM 448 OE1 GLN A 29 -8.060 -5.185 2.168 1.00 0.00 O ATOM 449 NE2 GLN A 29 -6.470 -6.677 2.049 1.00 0.00 N ATOM 0 H GLN A 29 -6.706 -4.507 6.835 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.363 -2.111 5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.555 -3.287 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.945 -2.796 3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.211 -4.957 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.495 -5.457 4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.585 -7.039 2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.938 -7.144 1.272 1.00 0.00 H new ATOM 458 N ALA A 30 -8.847 -5.041 5.584 1.00 0.00 N ATOM 459 CA ALA A 30 -10.214 -5.614 5.770 1.00 0.00 C ATOM 460 C ALA A 30 -11.116 -5.180 4.627 1.00 0.00 C ATOM 461 O ALA A 30 -12.325 -5.198 4.734 1.00 0.00 O ATOM 462 CB ALA A 30 -10.724 -4.993 7.055 1.00 0.00 C ATOM 0 H ALA A 30 -8.087 -5.721 5.560 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.199 -6.704 5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.727 -5.363 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.060 -5.260 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.752 -3.909 6.949 1.00 0.00 H new ATOM 468 N GLY A 31 -10.542 -4.768 3.546 1.00 0.00 N ATOM 469 CA GLY A 31 -11.372 -4.303 2.412 1.00 0.00 C ATOM 470 C GLY A 31 -10.917 -2.900 2.003 1.00 0.00 C ATOM 471 O GLY A 31 -11.609 -2.186 1.303 1.00 0.00 O ATOM 0 H GLY A 31 -9.534 -4.732 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.278 -4.989 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.424 -4.289 2.696 1.00 0.00 H new ATOM 475 N ALA A 32 -9.758 -2.501 2.447 1.00 0.00 N ATOM 476 CA ALA A 32 -9.238 -1.146 2.108 1.00 0.00 C ATOM 477 C ALA A 32 -8.617 -1.140 0.718 1.00 0.00 C ATOM 478 O ALA A 32 -8.365 -2.172 0.127 1.00 0.00 O ATOM 479 CB ALA A 32 -8.136 -0.877 3.132 1.00 0.00 C ATOM 0 H ALA A 32 -9.142 -3.061 3.036 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.034 -0.402 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.701 0.106 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.558 -0.906 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.362 -1.639 3.042 1.00 0.00 H new ATOM 485 N ALA A 33 -8.336 0.024 0.205 1.00 0.00 N ATOM 486 CA ALA A 33 -7.690 0.110 -1.136 1.00 0.00 C ATOM 487 C ALA A 33 -6.597 1.176 -1.085 1.00 0.00 C ATOM 488 O ALA A 33 -6.580 2.007 -0.200 1.00 0.00 O ATOM 489 CB ALA A 33 -8.802 0.492 -2.107 1.00 0.00 C ATOM 0 H ALA A 33 -8.525 0.920 0.655 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.221 -0.824 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.394 0.572 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.579 -0.273 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.230 1.450 -1.812 1.00 0.00 H new ATOM 495 N LEU A 34 -5.657 1.149 -1.987 1.00 0.00 N ATOM 496 CA LEU A 34 -4.568 2.159 -1.910 1.00 0.00 C ATOM 497 C LEU A 34 -4.047 2.527 -3.303 1.00 0.00 C ATOM 498 O LEU A 34 -4.047 1.717 -4.208 1.00 0.00 O ATOM 499 CB LEU A 34 -3.500 1.456 -1.054 1.00 0.00 C ATOM 500 CG LEU A 34 -2.086 1.661 -1.616 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.058 1.266 -0.551 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.885 0.779 -2.852 1.00 0.00 C ATOM 0 H LEU A 34 -5.595 0.486 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.888 3.109 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.544 1.838 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.719 0.389 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.958 2.708 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.052 1.410 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.193 1.888 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.196 0.219 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.880 0.929 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.015 -0.268 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.617 1.047 -3.614 1.00 0.00 H new ATOM 514 N ALA A 35 -3.579 3.738 -3.481 1.00 0.00 N ATOM 515 CA ALA A 35 -3.042 4.112 -4.819 1.00 0.00 C ATOM 516 C ALA A 35 -1.574 4.481 -4.690 1.00 0.00 C ATOM 517 O ALA A 35 -1.217 5.459 -4.063 1.00 0.00 O ATOM 518 CB ALA A 35 -3.866 5.310 -5.291 1.00 0.00 C ATOM 0 H ALA A 35 -3.547 4.469 -2.771 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.113 3.291 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.515 5.629 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.916 5.026 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.755 6.130 -4.582 1.00 0.00 H new ATOM 524 N ILE A 36 -0.717 3.704 -5.280 1.00 0.00 N ATOM 525 CA ILE A 36 0.734 4.017 -5.190 1.00 0.00 C ATOM 526 C ILE A 36 1.164 4.772 -6.443 1.00 0.00 C ATOM 527 O ILE A 36 0.825 4.400 -7.542 1.00 0.00 O ATOM 528 CB ILE A 36 1.440 2.666 -5.100 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.961 1.931 -3.849 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.953 2.886 -5.021 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.671 0.582 -3.742 1.00 0.00 C ATOM 0 H ILE A 36 -0.954 2.870 -5.818 1.00 0.00 H new ATOM 0 HA ILE A 36 0.975 4.643 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 36 1.209 2.070 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.164 2.531 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.118 1.783 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.458 1.922 -4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.291 3.414 -5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.189 3.479 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.328 0.060 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.445 -0.019 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.747 0.741 -3.678 1.00 0.00 H new ATOM 543 N ASN A 37 1.880 5.844 -6.301 1.00 0.00 N ATOM 544 CA ASN A 37 2.275 6.606 -7.514 1.00 0.00 C ATOM 545 C ASN A 37 1.006 7.004 -8.275 1.00 0.00 C ATOM 546 O ASN A 37 1.052 7.309 -9.446 1.00 0.00 O ATOM 547 CB ASN A 37 3.117 5.641 -8.350 1.00 0.00 C ATOM 548 CG ASN A 37 4.268 5.101 -7.502 1.00 0.00 C ATOM 549 OD1 ASN A 37 4.780 5.793 -6.645 1.00 0.00 O ATOM 550 ND2 ASN A 37 4.703 3.889 -7.712 1.00 0.00 N ATOM 0 H ASN A 37 2.206 6.224 -5.412 1.00 0.00 H new ATOM 0 HA ASN A 37 2.833 7.513 -7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.498 4.818 -8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.508 6.152 -9.230 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.475 3.521 -7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.271 3.310 -8.432 1.00 0.00 H new ATOM 557 N GLN A 38 -0.119 6.986 -7.589 1.00 0.00 N ATOM 558 CA GLN A 38 -1.450 7.343 -8.195 1.00 0.00 C ATOM 559 C GLN A 38 -2.123 6.109 -8.816 1.00 0.00 C ATOM 560 O GLN A 38 -3.241 6.180 -9.286 1.00 0.00 O ATOM 561 CB GLN A 38 -1.193 8.445 -9.242 1.00 0.00 C ATOM 562 CG GLN A 38 -1.072 7.852 -10.651 1.00 0.00 C ATOM 563 CD GLN A 38 -0.002 8.618 -11.427 1.00 0.00 C ATOM 564 OE1 GLN A 38 0.095 9.824 -11.320 1.00 0.00 O ATOM 565 NE2 GLN A 38 0.814 7.964 -12.204 1.00 0.00 N ATOM 0 H GLN A 38 -0.170 6.730 -6.603 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.137 7.708 -7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.006 9.170 -9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.279 8.983 -8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.810 6.796 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.029 7.915 -11.169 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.732 6.951 -12.293 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.535 8.465 -12.723 1.00 0.00 H new ATOM 574 N GLN A 39 -1.472 4.975 -8.805 1.00 0.00 N ATOM 575 CA GLN A 39 -2.117 3.757 -9.377 1.00 0.00 C ATOM 576 C GLN A 39 -2.941 3.063 -8.295 1.00 0.00 C ATOM 577 O GLN A 39 -2.411 2.446 -7.394 1.00 0.00 O ATOM 578 CB GLN A 39 -0.976 2.841 -9.856 1.00 0.00 C ATOM 579 CG GLN A 39 -0.212 2.262 -8.662 1.00 0.00 C ATOM 580 CD GLN A 39 1.292 2.322 -8.935 1.00 0.00 C ATOM 581 OE1 GLN A 39 2.082 2.444 -8.019 1.00 0.00 O ATOM 582 NE2 GLN A 39 1.723 2.241 -10.162 1.00 0.00 N ATOM 0 H GLN A 39 -0.533 4.840 -8.430 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.786 4.003 -10.201 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.383 2.031 -10.462 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.294 3.404 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.450 2.823 -7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.519 1.231 -8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.059 2.139 -10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.724 2.280 -10.355 1.00 0.00 H new ATOM 591 N ILE A 40 -4.237 3.147 -8.366 1.00 0.00 N ATOM 592 CA ILE A 40 -5.049 2.469 -7.320 1.00 0.00 C ATOM 593 C ILE A 40 -5.009 0.971 -7.567 1.00 0.00 C ATOM 594 O ILE A 40 -5.437 0.496 -8.601 1.00 0.00 O ATOM 595 CB ILE A 40 -6.492 2.957 -7.489 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.632 4.401 -6.999 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.421 2.048 -6.672 1.00 0.00 C ATOM 598 CD1 ILE A 40 -6.151 5.358 -8.090 1.00 0.00 C ATOM 0 H ILE A 40 -4.762 3.644 -9.086 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.671 2.686 -6.321 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.761 2.921 -8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.671 4.612 -6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.048 4.546 -6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.451 2.386 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.334 1.022 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.138 2.090 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.250 6.386 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.106 5.152 -8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.754 5.219 -8.988 1.00 0.00 H new ATOM 610 N VAL A 41 -4.512 0.217 -6.636 1.00 0.00 N ATOM 611 CA VAL A 41 -4.472 -1.247 -6.854 1.00 0.00 C ATOM 612 C VAL A 41 -5.483 -1.946 -5.994 1.00 0.00 C ATOM 613 O VAL A 41 -5.670 -1.604 -4.843 1.00 0.00 O ATOM 614 CB VAL A 41 -3.117 -1.736 -6.400 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.002 -3.214 -6.772 1.00 0.00 C ATOM 616 CG2 VAL A 41 -2.020 -0.933 -7.084 1.00 0.00 C ATOM 0 H VAL A 41 -4.137 0.544 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.674 -1.452 -7.905 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.007 -1.611 -5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.031 -3.594 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.792 -3.777 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.101 -3.326 -7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.046 -1.291 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.101 -1.053 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.126 0.121 -6.827 1.00 0.00 H new ATOM 626 N PRO A 42 -6.053 -2.949 -6.553 1.00 0.00 N ATOM 627 CA PRO A 42 -6.989 -3.758 -5.792 1.00 0.00 C ATOM 628 C PRO A 42 -6.260 -4.557 -4.729 1.00 0.00 C ATOM 629 O PRO A 42 -5.324 -5.288 -4.989 1.00 0.00 O ATOM 630 CB PRO A 42 -7.595 -4.676 -6.813 1.00 0.00 C ATOM 631 CG PRO A 42 -6.596 -4.747 -7.915 1.00 0.00 C ATOM 632 CD PRO A 42 -5.903 -3.417 -7.935 1.00 0.00 C ATOM 0 HA PRO A 42 -7.735 -3.157 -5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.787 -5.663 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.550 -4.291 -7.171 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.884 -5.555 -7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.082 -4.947 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.855 -3.512 -8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.364 -2.732 -8.646 1.00 0.00 H new ATOM 640 N ARG A 43 -6.721 -4.403 -3.547 1.00 0.00 N ATOM 641 CA ARG A 43 -6.157 -5.119 -2.364 1.00 0.00 C ATOM 642 C ARG A 43 -5.487 -6.443 -2.747 1.00 0.00 C ATOM 643 O ARG A 43 -4.306 -6.644 -2.541 1.00 0.00 O ATOM 644 CB ARG A 43 -7.372 -5.401 -1.461 1.00 0.00 C ATOM 645 CG ARG A 43 -8.620 -5.772 -2.288 1.00 0.00 C ATOM 646 CD ARG A 43 -9.879 -5.287 -1.561 1.00 0.00 C ATOM 647 NE ARG A 43 -10.978 -6.146 -2.085 1.00 0.00 N ATOM 648 CZ ARG A 43 -11.243 -6.162 -3.364 1.00 0.00 C ATOM 649 NH1 ARG A 43 -11.833 -5.140 -3.921 1.00 0.00 N ATOM 650 NH2 ARG A 43 -10.924 -7.204 -4.082 1.00 0.00 N ATOM 0 H ARG A 43 -7.502 -3.785 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.385 -4.519 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.135 -6.214 -0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.586 -4.522 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.561 -5.319 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.665 -6.851 -2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.777 -5.391 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.071 -4.233 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.524 -6.722 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.087 -4.329 -3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.040 -5.153 -4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.468 -8.005 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.130 -7.218 -5.081 1.00 0.00 H new ATOM 664 N GLU A 44 -6.248 -7.345 -3.278 1.00 0.00 N ATOM 665 CA GLU A 44 -5.717 -8.677 -3.662 1.00 0.00 C ATOM 666 C GLU A 44 -4.341 -8.583 -4.340 1.00 0.00 C ATOM 667 O GLU A 44 -3.475 -9.402 -4.102 1.00 0.00 O ATOM 668 CB GLU A 44 -6.781 -9.196 -4.618 1.00 0.00 C ATOM 669 CG GLU A 44 -6.411 -10.593 -5.120 1.00 0.00 C ATOM 670 CD GLU A 44 -5.825 -10.489 -6.529 1.00 0.00 C ATOM 671 OE1 GLU A 44 -4.677 -10.088 -6.645 1.00 0.00 O ATOM 672 OE2 GLU A 44 -6.533 -10.813 -7.467 1.00 0.00 O ATOM 0 H GLU A 44 -7.242 -7.215 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.546 -9.329 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.747 -9.228 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.884 -8.515 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.688 -11.053 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.293 -11.234 -5.127 1.00 0.00 H new ATOM 679 N GLN A 45 -4.123 -7.608 -5.177 1.00 0.00 N ATOM 680 CA GLN A 45 -2.789 -7.506 -5.846 1.00 0.00 C ATOM 681 C GLN A 45 -1.713 -7.111 -4.832 1.00 0.00 C ATOM 682 O GLN A 45 -0.567 -7.477 -4.974 1.00 0.00 O ATOM 683 CB GLN A 45 -2.930 -6.434 -6.932 1.00 0.00 C ATOM 684 CG GLN A 45 -3.823 -6.950 -8.065 1.00 0.00 C ATOM 685 CD GLN A 45 -2.959 -7.561 -9.171 1.00 0.00 C ATOM 686 OE1 GLN A 45 -2.544 -8.697 -9.076 1.00 0.00 O ATOM 687 NE2 GLN A 45 -2.677 -6.849 -10.229 1.00 0.00 N ATOM 0 H GLN A 45 -4.798 -6.885 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.488 -8.461 -6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.358 -5.527 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.948 -6.170 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.519 -7.696 -7.681 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.422 -6.134 -8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.026 -5.894 -10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.108 -7.248 -10.975 1.00 0.00 H new ATOM 696 N TRP A 46 -2.063 -6.372 -3.813 1.00 0.00 N ATOM 697 CA TRP A 46 -1.061 -5.977 -2.801 1.00 0.00 C ATOM 698 C TRP A 46 -0.125 -7.145 -2.492 1.00 0.00 C ATOM 699 O TRP A 46 1.029 -6.963 -2.163 1.00 0.00 O ATOM 700 CB TRP A 46 -1.892 -5.650 -1.557 1.00 0.00 C ATOM 701 CG TRP A 46 -2.709 -4.408 -1.768 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.828 -3.725 -2.931 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.536 -3.702 -0.798 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.662 -2.636 -2.730 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.129 -2.583 -1.430 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.822 -3.923 0.557 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.978 -1.716 -0.731 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.674 -3.056 1.255 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.252 -1.955 0.611 1.00 0.00 C ATOM 0 H TRP A 46 -3.008 -6.027 -3.644 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.442 -5.145 -3.137 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.550 -6.487 -1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.233 -5.515 -0.700 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.351 -3.986 -3.864 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.902 -1.957 -3.453 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.382 -4.768 1.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.418 -0.866 -1.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.886 -3.239 2.298 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.909 -1.293 1.155 1.00 0.00 H new ATOM 720 N ALA A 47 -0.624 -8.339 -2.576 1.00 0.00 N ATOM 721 CA ALA A 47 0.212 -9.529 -2.270 1.00 0.00 C ATOM 722 C ALA A 47 1.167 -9.840 -3.420 1.00 0.00 C ATOM 723 O ALA A 47 2.129 -10.567 -3.265 1.00 0.00 O ATOM 724 CB ALA A 47 -0.805 -10.641 -2.104 1.00 0.00 C ATOM 0 H ALA A 47 -1.585 -8.546 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 47 0.841 -9.388 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.290 -11.574 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.487 -10.392 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.371 -10.758 -3.028 1.00 0.00 H new ATOM 730 N GLN A 48 0.922 -9.280 -4.567 1.00 0.00 N ATOM 731 CA GLN A 48 1.822 -9.518 -5.723 1.00 0.00 C ATOM 732 C GLN A 48 2.311 -8.175 -6.240 1.00 0.00 C ATOM 733 O GLN A 48 3.024 -8.090 -7.219 1.00 0.00 O ATOM 734 CB GLN A 48 0.964 -10.205 -6.780 1.00 0.00 C ATOM 735 CG GLN A 48 0.491 -11.560 -6.260 1.00 0.00 C ATOM 736 CD GLN A 48 -0.402 -12.218 -7.313 1.00 0.00 C ATOM 737 OE1 GLN A 48 -1.513 -12.612 -7.023 1.00 0.00 O ATOM 738 NE2 GLN A 48 0.038 -12.351 -8.534 1.00 0.00 N ATOM 0 H GLN A 48 0.131 -8.663 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 48 2.689 -10.125 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.106 -9.580 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.537 -10.337 -7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.347 -12.198 -6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.059 -11.433 -5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.971 -12.020 -8.779 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.551 -12.786 -9.244 1.00 0.00 H new ATOM 747 N HIS A 49 1.907 -7.119 -5.592 1.00 0.00 N ATOM 748 CA HIS A 49 2.315 -5.773 -6.038 1.00 0.00 C ATOM 749 C HIS A 49 3.611 -5.348 -5.355 1.00 0.00 C ATOM 750 O HIS A 49 3.603 -4.539 -4.450 1.00 0.00 O ATOM 751 CB HIS A 49 1.165 -4.876 -5.613 1.00 0.00 C ATOM 752 CG HIS A 49 1.400 -3.506 -6.181 1.00 0.00 C ATOM 753 ND1 HIS A 49 0.922 -3.130 -7.426 1.00 0.00 N ATOM 754 CD2 HIS A 49 2.097 -2.424 -5.703 1.00 0.00 C ATOM 755 CE1 HIS A 49 1.338 -1.871 -7.654 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.058 -1.393 -6.635 1.00 0.00 N ATOM 0 H HIS A 49 1.307 -7.138 -4.767 1.00 0.00 H new ATOM 0 HA HIS A 49 2.506 -5.728 -7.110 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.217 -5.278 -5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.101 -4.830 -4.526 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.599 -2.380 -4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.117 -1.314 -8.552 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.487 -0.471 -6.558 1.00 0.00 H new ATOM 764 N ILE A 50 4.721 -5.880 -5.793 1.00 0.00 N ATOM 765 CA ILE A 50 6.023 -5.516 -5.179 1.00 0.00 C ATOM 766 C ILE A 50 6.192 -3.996 -5.146 1.00 0.00 C ATOM 767 O ILE A 50 6.038 -3.304 -6.133 1.00 0.00 O ATOM 768 CB ILE A 50 7.077 -6.156 -6.079 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.112 -7.667 -5.829 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.447 -5.555 -5.765 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.600 -7.946 -4.405 1.00 0.00 C ATOM 0 H ILE A 50 4.778 -6.555 -6.555 1.00 0.00 H new ATOM 0 HA ILE A 50 6.103 -5.862 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 50 6.828 -5.966 -7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.118 -8.092 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.772 -8.149 -6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.200 -6.011 -6.407 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.422 -4.480 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.697 -5.745 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.623 -9.022 -4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.602 -7.537 -4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.923 -7.478 -3.690 1.00 0.00 H new ATOM 783 N VAL A 51 6.496 -3.492 -3.989 1.00 0.00 N ATOM 784 CA VAL A 51 6.679 -2.027 -3.789 1.00 0.00 C ATOM 785 C VAL A 51 8.170 -1.673 -3.853 1.00 0.00 C ATOM 786 O VAL A 51 9.014 -2.459 -3.473 1.00 0.00 O ATOM 787 CB VAL A 51 6.133 -1.781 -2.389 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.056 -0.287 -2.150 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.732 -2.389 -2.258 1.00 0.00 C ATOM 0 H VAL A 51 6.630 -4.050 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 51 6.179 -1.424 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 51 6.791 -2.246 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.666 -0.098 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.052 0.148 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.395 0.166 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.349 -2.208 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.066 -1.929 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.783 -3.463 -2.439 1.00 0.00 H new ATOM 799 N GLN A 52 8.503 -0.507 -4.344 1.00 0.00 N ATOM 800 CA GLN A 52 9.947 -0.130 -4.441 1.00 0.00 C ATOM 801 C GLN A 52 10.289 1.101 -3.605 1.00 0.00 C ATOM 802 O GLN A 52 9.448 1.919 -3.291 1.00 0.00 O ATOM 803 CB GLN A 52 10.165 0.246 -5.895 1.00 0.00 C ATOM 804 CG GLN A 52 9.870 -0.948 -6.808 1.00 0.00 C ATOM 805 CD GLN A 52 10.995 -1.978 -6.699 1.00 0.00 C ATOM 806 OE1 GLN A 52 12.040 -1.822 -7.297 1.00 0.00 O ATOM 807 NE2 GLN A 52 10.820 -3.035 -5.959 1.00 0.00 N ATOM 0 H GLN A 52 7.844 0.196 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 52 10.563 -0.956 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.519 1.083 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.193 0.578 -6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.920 -1.404 -6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.772 -0.612 -7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.942 -3.166 -5.457 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.561 -3.732 -5.882 1.00 0.00 H new ATOM 816 N ASP A 53 11.546 1.254 -3.293 1.00 0.00 N ATOM 817 CA ASP A 53 12.003 2.443 -2.530 1.00 0.00 C ATOM 818 C ASP A 53 11.529 3.709 -3.228 1.00 0.00 C ATOM 819 O ASP A 53 11.934 4.043 -4.325 1.00 0.00 O ATOM 820 CB ASP A 53 13.513 2.346 -2.541 1.00 0.00 C ATOM 821 CG ASP A 53 14.127 3.656 -2.043 1.00 0.00 C ATOM 822 OD1 ASP A 53 13.431 4.395 -1.367 1.00 0.00 O ATOM 823 OD2 ASP A 53 15.283 3.898 -2.348 1.00 0.00 O ATOM 0 H ASP A 53 12.284 0.595 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 53 11.610 2.477 -1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.837 1.520 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.864 2.131 -3.550 1.00 0.00 H new ATOM 828 N GLY A 54 10.630 4.367 -2.593 1.00 0.00 N ATOM 829 CA GLY A 54 10.005 5.597 -3.144 1.00 0.00 C ATOM 830 C GLY A 54 8.506 5.314 -3.221 1.00 0.00 C ATOM 831 O GLY A 54 7.725 6.095 -3.727 1.00 0.00 O ATOM 0 H GLY A 54 10.280 4.099 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.207 6.456 -2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.408 5.831 -4.129 1.00 0.00 H new ATOM 835 N ASP A 55 8.122 4.166 -2.718 1.00 0.00 N ATOM 836 CA ASP A 55 6.702 3.736 -2.735 1.00 0.00 C ATOM 837 C ASP A 55 5.751 4.835 -2.270 1.00 0.00 C ATOM 838 O ASP A 55 5.662 5.134 -1.104 1.00 0.00 O ATOM 839 CB ASP A 55 6.666 2.586 -1.737 1.00 0.00 C ATOM 840 CG ASP A 55 5.212 2.237 -1.402 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.331 2.701 -2.106 1.00 0.00 O ATOM 842 OD2 ASP A 55 5.005 1.504 -0.451 1.00 0.00 O ATOM 0 H ASP A 55 8.758 3.495 -2.286 1.00 0.00 H new ATOM 0 HA ASP A 55 6.380 3.472 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.172 1.715 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.202 2.863 -0.829 1.00 0.00 H new ATOM 847 N GLN A 56 4.989 5.389 -3.159 1.00 0.00 N ATOM 848 CA GLN A 56 3.994 6.408 -2.738 1.00 0.00 C ATOM 849 C GLN A 56 2.680 5.674 -2.489 1.00 0.00 C ATOM 850 O GLN A 56 2.452 4.624 -3.048 1.00 0.00 O ATOM 851 CB GLN A 56 3.892 7.367 -3.924 1.00 0.00 C ATOM 852 CG GLN A 56 2.584 8.153 -3.854 1.00 0.00 C ATOM 853 CD GLN A 56 2.845 9.539 -3.257 1.00 0.00 C ATOM 854 OE1 GLN A 56 3.980 9.960 -3.139 1.00 0.00 O ATOM 855 NE2 GLN A 56 1.834 10.272 -2.875 1.00 0.00 N ATOM 0 H GLN A 56 5.009 5.183 -4.158 1.00 0.00 H new ATOM 0 HA GLN A 56 4.255 6.954 -1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.738 8.054 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.940 6.808 -4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.154 8.251 -4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.858 7.615 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.882 9.919 -2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.996 11.197 -2.478 1.00 0.00 H new ATOM 864 N ILE A 57 1.828 6.172 -1.637 1.00 0.00 N ATOM 865 CA ILE A 57 0.562 5.431 -1.383 1.00 0.00 C ATOM 866 C ILE A 57 -0.645 6.349 -1.168 1.00 0.00 C ATOM 867 O ILE A 57 -0.550 7.411 -0.585 1.00 0.00 O ATOM 868 CB ILE A 57 0.816 4.648 -0.110 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.826 3.535 -0.361 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.499 4.040 0.374 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.198 2.911 0.980 1.00 0.00 C ATOM 0 H ILE A 57 1.949 7.041 -1.116 1.00 0.00 H new ATOM 0 HA ILE A 57 0.317 4.812 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 57 1.218 5.321 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.403 2.782 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.713 3.932 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.324 3.475 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.217 4.836 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.896 3.374 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.921 2.111 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.635 3.672 1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.304 2.503 1.452 1.00 0.00 H new ATOM 883 N LEU A 58 -1.794 5.879 -1.561 1.00 0.00 N ATOM 884 CA LEU A 58 -3.056 6.624 -1.313 1.00 0.00 C ATOM 885 C LEU A 58 -3.952 5.694 -0.492 1.00 0.00 C ATOM 886 O LEU A 58 -3.846 4.495 -0.610 1.00 0.00 O ATOM 887 CB LEU A 58 -3.655 6.934 -2.680 1.00 0.00 C ATOM 888 CG LEU A 58 -3.433 8.411 -3.022 1.00 0.00 C ATOM 889 CD1 LEU A 58 -2.197 8.558 -3.910 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.658 8.950 -3.766 1.00 0.00 C ATOM 0 H LEU A 58 -1.913 4.993 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.922 7.559 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.195 6.302 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.721 6.708 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.284 8.974 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.044 9.610 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.323 8.175 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.341 7.993 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.502 10.001 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.805 8.382 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.540 8.852 -3.134 1.00 0.00 H new ATOM 902 N LEU A 59 -4.785 6.195 0.374 1.00 0.00 N ATOM 903 CA LEU A 59 -5.606 5.251 1.195 1.00 0.00 C ATOM 904 C LEU A 59 -7.088 5.302 0.822 1.00 0.00 C ATOM 905 O LEU A 59 -7.668 6.354 0.628 1.00 0.00 O ATOM 906 CB LEU A 59 -5.384 5.689 2.645 1.00 0.00 C ATOM 907 CG LEU A 59 -6.120 4.750 3.616 1.00 0.00 C ATOM 908 CD1 LEU A 59 -7.609 5.093 3.637 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.947 3.288 3.189 1.00 0.00 C ATOM 0 H LEU A 59 -4.935 7.188 0.550 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.306 4.217 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.318 5.690 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.739 6.711 2.780 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.695 4.882 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.126 4.425 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.740 6.125 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.024 4.974 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.475 2.640 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.356 3.151 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.887 3.033 3.187 1.00 0.00 H new ATOM 921 N PHE A 60 -7.698 4.152 0.737 1.00 0.00 N ATOM 922 CA PHE A 60 -9.144 4.077 0.394 1.00 0.00 C ATOM 923 C PHE A 60 -9.900 3.409 1.540 1.00 0.00 C ATOM 924 O PHE A 60 -9.382 2.525 2.201 1.00 0.00 O ATOM 925 CB PHE A 60 -9.195 3.221 -0.863 1.00 0.00 C ATOM 926 CG PHE A 60 -8.567 3.986 -1.999 1.00 0.00 C ATOM 927 CD1 PHE A 60 -7.197 4.269 -1.977 1.00 0.00 C ATOM 928 CD2 PHE A 60 -9.357 4.428 -3.065 1.00 0.00 C ATOM 929 CE1 PHE A 60 -6.618 4.988 -3.026 1.00 0.00 C ATOM 930 CE2 PHE A 60 -8.778 5.152 -4.114 1.00 0.00 C ATOM 931 CZ PHE A 60 -7.407 5.432 -4.093 1.00 0.00 C ATOM 0 H PHE A 60 -7.249 3.250 0.893 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.600 5.054 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.665 2.282 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.227 2.967 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.588 3.932 -1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.415 4.211 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.559 5.201 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.388 5.494 -4.937 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.958 5.991 -4.901 1.00 0.00 H new ATOM 941 N GLN A 61 -11.110 3.831 1.786 1.00 0.00 N ATOM 942 CA GLN A 61 -11.888 3.242 2.912 1.00 0.00 C ATOM 943 C GLN A 61 -12.710 2.037 2.458 1.00 0.00 C ATOM 944 O GLN A 61 -13.330 2.036 1.411 1.00 0.00 O ATOM 945 CB GLN A 61 -12.815 4.367 3.372 1.00 0.00 C ATOM 946 CG GLN A 61 -13.532 3.947 4.658 1.00 0.00 C ATOM 947 CD GLN A 61 -13.037 4.808 5.818 1.00 0.00 C ATOM 948 OE1 GLN A 61 -13.822 5.303 6.601 1.00 0.00 O ATOM 949 NE2 GLN A 61 -11.757 5.009 5.963 1.00 0.00 N ATOM 0 H GLN A 61 -11.593 4.557 1.257 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.232 2.881 3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -12.241 5.277 3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -13.544 4.592 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.610 4.060 4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -13.343 2.894 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.098 4.593 5.305 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.415 5.582 6.734 1.00 0.00 H new ATOM 958 N VAL A 62 -12.719 1.016 3.265 1.00 0.00 N ATOM 959 CA VAL A 62 -13.493 -0.211 2.941 1.00 0.00 C ATOM 960 C VAL A 62 -14.870 0.154 2.385 1.00 0.00 C ATOM 961 O VAL A 62 -15.429 1.182 2.710 1.00 0.00 O ATOM 962 CB VAL A 62 -13.634 -0.926 4.281 1.00 0.00 C ATOM 963 CG1 VAL A 62 -14.417 -0.031 5.241 1.00 0.00 C ATOM 964 CG2 VAL A 62 -14.382 -2.243 4.083 1.00 0.00 C ATOM 0 H VAL A 62 -12.214 0.980 4.150 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.005 -0.826 2.184 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.647 -1.135 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -14.523 -0.534 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.883 0.909 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -15.405 0.171 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -14.482 -2.752 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -15.372 -2.041 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -13.827 -2.877 3.391 1.00 0.00 H new ATOM 974 N ILE A 63 -15.428 -0.688 1.562 1.00 0.00 N ATOM 975 CA ILE A 63 -16.774 -0.398 1.002 1.00 0.00 C ATOM 976 C ILE A 63 -17.735 -1.478 1.480 1.00 0.00 C ATOM 977 O ILE A 63 -17.840 -2.537 0.893 1.00 0.00 O ATOM 978 CB ILE A 63 -16.605 -0.471 -0.518 1.00 0.00 C ATOM 979 CG1 ILE A 63 -15.283 0.186 -0.928 1.00 0.00 C ATOM 980 CG2 ILE A 63 -17.768 0.251 -1.200 1.00 0.00 C ATOM 981 CD1 ILE A 63 -14.148 -0.831 -0.796 1.00 0.00 C ATOM 0 H ILE A 63 -15.009 -1.565 1.253 1.00 0.00 H new ATOM 0 HA ILE A 63 -17.166 0.572 1.310 1.00 0.00 H new ATOM 0 HB ILE A 63 -16.596 -1.517 -0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.346 0.546 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -15.084 1.053 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.645 0.198 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.707 -0.224 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.781 1.295 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -13.207 -0.365 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.081 -1.169 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.347 -1.684 -1.445 1.00 0.00 H new ATOM 993 N ALA A 64 -18.426 -1.230 2.548 1.00 0.00 N ATOM 994 CA ALA A 64 -19.366 -2.250 3.068 1.00 0.00 C ATOM 995 C ALA A 64 -20.771 -1.657 3.205 1.00 0.00 C ATOM 996 O ALA A 64 -20.969 -0.465 3.062 1.00 0.00 O ATOM 997 CB ALA A 64 -18.780 -2.641 4.422 1.00 0.00 C ATOM 0 H ALA A 64 -18.381 -0.364 3.085 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.472 -3.112 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.412 -3.397 4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.776 -3.043 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.732 -1.762 5.065 1.00 0.00 H new ATOM 1003 N GLY A 65 -21.747 -2.475 3.482 1.00 0.00 N ATOM 1004 CA GLY A 65 -23.135 -1.952 3.626 1.00 0.00 C ATOM 1005 C GLY A 65 -24.133 -3.049 3.251 1.00 0.00 C ATOM 1006 O GLY A 65 -24.337 -3.995 3.985 1.00 0.00 O ATOM 0 H GLY A 65 -21.645 -3.481 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -23.307 -1.623 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -23.276 -1.082 2.985 1.00 0.00 H new ATOM 1010 N GLY A 66 -24.758 -2.932 2.112 1.00 0.00 N ATOM 1011 CA GLY A 66 -25.742 -3.970 1.691 1.00 0.00 C ATOM 1012 C GLY A 66 -27.115 -3.647 2.284 1.00 0.00 C ATOM 1013 O GLY A 66 -28.003 -4.473 2.154 1.00 0.00 O ATOM 1014 OXT GLY A 66 -27.253 -2.579 2.858 1.00 0.00 O ATOM 0 H GLY A 66 -24.630 -2.163 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -25.804 -4.007 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -25.413 -4.954 2.025 1.00 0.00 H new TER 1018 GLY A 66