USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 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 63 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 THR OG1 : rot -71:sc= 0.745 USER MOD Single : A 1 MET CE :methyl -111:sc= -0.337 (180deg=-3.31!) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.792 (180deg=0.129!) USER MOD Single : A 2 GLN : amide:sc= -1.88! K(o=-1.9!,f=0.018) USER MOD Single : A 3 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.2) USER MOD Single : A 9 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.043 X(o=-0.043,f=-0.27) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -0.788 (180deg=-2.21) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 150:sc=-0.00496 USER MOD Single : A 33 ASN : amide:sc= 1.39 K(o=1.4,f=-4.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -167:sc= -0.0649 (180deg=-0.363) USER MOD Single : A 44 ASN : amide:sc= 0.793 K(o=0.79,f=0) USER MOD Single : A 47 THR OG1 : rot 75:sc= 0.938 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.012) USER MOD Single : A 69 THR OG1 : rot 40:sc= 1.16 USER MOD Single : A 72 SER OG : rot -130:sc= -0.0481 USER MOD Single : A 79 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.0073) USER MOD Single : A 80 LYS NZ :NH3+ 152:sc= 0.626 (180deg=0.369) USER MOD Single : A 82 SER OG : rot 65:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.683 -9.207 -4.559 1.00 0.00 N ATOM 2 CA MET A 1 -7.255 -8.845 -4.703 1.00 0.00 C ATOM 3 C MET A 1 -6.371 -9.960 -4.136 1.00 0.00 C ATOM 4 O MET A 1 -6.788 -10.707 -3.250 1.00 0.00 O ATOM 5 CB MET A 1 -6.949 -7.488 -3.999 1.00 0.00 C ATOM 6 CG MET A 1 -7.646 -6.287 -4.641 1.00 0.00 C ATOM 7 SD MET A 1 -9.450 -6.470 -4.618 1.00 0.00 S ATOM 8 CE MET A 1 -10.009 -5.206 -5.752 1.00 0.00 C ATOM 0 H1 MET A 1 -9.261 -8.343 -4.552 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.971 -9.809 -5.357 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.822 -9.724 -3.667 1.00 0.00 H new ATOM 0 HA MET A 1 -7.034 -8.727 -5.764 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.251 -7.556 -2.954 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.872 -7.319 -4.009 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.365 -5.377 -4.111 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.304 -6.175 -5.670 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.526 -4.423 -5.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.151 -4.778 -6.271 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.691 -5.646 -6.480 1.00 0.00 H new ATOM 18 N GLN A 2 -5.174 -10.090 -4.705 1.00 0.00 N ATOM 19 CA GLN A 2 -4.142 -11.038 -4.259 1.00 0.00 C ATOM 20 C GLN A 2 -3.063 -10.321 -3.423 1.00 0.00 C ATOM 21 O GLN A 2 -2.581 -10.860 -2.427 1.00 0.00 O ATOM 22 CB GLN A 2 -3.516 -11.809 -5.469 1.00 0.00 C ATOM 23 CG GLN A 2 -3.388 -11.025 -6.802 1.00 0.00 C ATOM 24 CD GLN A 2 -4.648 -11.081 -7.681 1.00 0.00 C ATOM 25 OE1 GLN A 2 -4.827 -12.013 -8.463 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.493 -10.068 -7.613 1.00 0.00 N ATOM 0 H GLN A 2 -4.884 -9.530 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.620 -11.779 -3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.523 -12.150 -5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.118 -12.699 -5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.159 -9.983 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.545 -11.423 -7.367 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.324 -9.306 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.315 -10.048 -8.217 1.00 0.00 H new ATOM 35 N HIS A 3 -2.713 -9.082 -3.821 1.00 0.00 N ATOM 36 CA HIS A 3 -1.555 -8.353 -3.268 1.00 0.00 C ATOM 37 C HIS A 3 -1.837 -7.696 -1.908 1.00 0.00 C ATOM 38 O HIS A 3 -0.879 -7.341 -1.220 1.00 0.00 O ATOM 39 CB HIS A 3 -1.024 -7.305 -4.268 1.00 0.00 C ATOM 40 CG HIS A 3 -0.258 -7.863 -5.436 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.938 -8.527 -5.298 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.507 -7.830 -6.758 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.390 -8.864 -6.488 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.532 -8.453 -7.392 1.00 0.00 N ATOM 0 H HIS A 3 -3.224 -8.560 -4.533 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.787 -9.108 -3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.868 -6.730 -4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.380 -6.608 -3.731 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.372 -7.391 -7.233 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.312 -9.390 -6.687 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.625 -8.578 -8.400 1.00 0.00 H new ATOM 53 N LEU A 4 -3.132 -7.540 -1.518 1.00 0.00 N ATOM 54 CA LEU A 4 -3.507 -6.990 -0.175 1.00 0.00 C ATOM 55 C LEU A 4 -2.816 -7.769 0.975 1.00 0.00 C ATOM 56 O LEU A 4 -2.552 -7.208 2.038 1.00 0.00 O ATOM 57 CB LEU A 4 -5.052 -6.994 0.066 1.00 0.00 C ATOM 58 CG LEU A 4 -5.711 -8.357 0.482 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.172 -8.173 0.936 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.612 -9.409 -0.639 1.00 0.00 C ATOM 0 H LEU A 4 -3.930 -7.783 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.160 -5.957 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.275 -6.261 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.537 -6.649 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.144 -8.729 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.591 -9.140 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.205 -7.502 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.756 -7.747 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.080 -10.337 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.122 -9.041 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.564 -9.594 -0.872 1.00 0.00 H new ATOM 72 N GLU A 5 -2.537 -9.065 0.706 1.00 0.00 N ATOM 73 CA GLU A 5 -1.840 -9.993 1.608 1.00 0.00 C ATOM 74 C GLU A 5 -0.452 -9.443 1.975 1.00 0.00 C ATOM 75 O GLU A 5 -0.145 -9.226 3.157 1.00 0.00 O ATOM 76 CB GLU A 5 -1.728 -11.381 0.898 1.00 0.00 C ATOM 77 CG GLU A 5 -0.849 -12.451 1.597 1.00 0.00 C ATOM 78 CD GLU A 5 -1.410 -12.932 2.939 1.00 0.00 C ATOM 79 OE1 GLU A 5 -2.508 -13.531 2.950 1.00 0.00 O ATOM 80 OE2 GLU A 5 -0.761 -12.738 3.989 1.00 0.00 O ATOM 0 H GLU A 5 -2.802 -9.502 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.400 -10.106 2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.733 -11.787 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.334 -11.219 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.738 -13.308 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.148 -12.041 1.757 1.00 0.00 H new ATOM 87 N ALA A 6 0.355 -9.173 0.933 1.00 0.00 N ATOM 88 CA ALA A 6 1.723 -8.666 1.088 1.00 0.00 C ATOM 89 C ALA A 6 1.740 -7.213 1.592 1.00 0.00 C ATOM 90 O ALA A 6 2.682 -6.820 2.267 1.00 0.00 O ATOM 91 CB ALA A 6 2.498 -8.801 -0.229 1.00 0.00 C ATOM 0 H ALA A 6 0.073 -9.302 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 6 2.218 -9.274 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.511 -8.420 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.540 -9.850 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.994 -8.228 -1.008 1.00 0.00 H new ATOM 97 N VAL A 7 0.686 -6.432 1.279 1.00 0.00 N ATOM 98 CA VAL A 7 0.579 -5.030 1.725 1.00 0.00 C ATOM 99 C VAL A 7 0.379 -4.951 3.263 1.00 0.00 C ATOM 100 O VAL A 7 1.115 -4.239 3.962 1.00 0.00 O ATOM 101 CB VAL A 7 -0.587 -4.259 0.995 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.698 -2.811 1.518 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.407 -4.267 -0.544 1.00 0.00 C ATOM 0 H VAL A 7 -0.104 -6.750 0.718 1.00 0.00 H new ATOM 0 HA VAL A 7 1.518 -4.545 1.459 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.515 -4.785 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.509 -2.298 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.903 -2.825 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.239 -2.285 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.231 -3.726 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.536 -3.785 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.399 -5.296 -0.904 1.00 0.00 H new ATOM 113 N ARG A 8 -0.602 -5.718 3.786 1.00 0.00 N ATOM 114 CA ARG A 8 -0.895 -5.753 5.243 1.00 0.00 C ATOM 115 C ARG A 8 0.218 -6.463 5.994 1.00 0.00 C ATOM 116 O ARG A 8 0.398 -6.255 7.203 1.00 0.00 O ATOM 117 CB ARG A 8 -2.266 -6.388 5.568 1.00 0.00 C ATOM 118 CG ARG A 8 -2.476 -7.850 5.140 1.00 0.00 C ATOM 119 CD ARG A 8 -3.871 -8.380 5.570 1.00 0.00 C ATOM 120 NE ARG A 8 -4.385 -9.465 4.707 1.00 0.00 N ATOM 121 CZ ARG A 8 -3.893 -10.709 4.603 1.00 0.00 C ATOM 122 NH1 ARG A 8 -2.842 -11.099 5.288 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.479 -11.565 3.796 1.00 0.00 N ATOM 0 H ARG A 8 -1.205 -6.321 3.226 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.947 -4.717 5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.422 -6.324 6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.040 -5.782 5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.374 -7.931 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.698 -8.473 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.812 -8.741 6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.582 -7.554 5.563 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.198 -9.245 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.376 -10.449 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.492 -12.052 5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.298 -11.281 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.115 -12.514 3.708 1.00 0.00 H new ATOM 137 N ASN A 9 0.950 -7.334 5.273 1.00 0.00 N ATOM 138 CA ASN A 9 2.180 -7.939 5.779 1.00 0.00 C ATOM 139 C ASN A 9 3.219 -6.838 6.079 1.00 0.00 C ATOM 140 O ASN A 9 3.789 -6.814 7.160 1.00 0.00 O ATOM 141 CB ASN A 9 2.728 -8.963 4.754 1.00 0.00 C ATOM 142 CG ASN A 9 4.116 -9.518 5.086 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.253 -10.496 5.823 1.00 0.00 O ATOM 144 ND2 ASN A 9 5.149 -8.917 4.521 1.00 0.00 N ATOM 0 H ASN A 9 0.701 -7.631 4.330 1.00 0.00 H new ATOM 0 HA ASN A 9 1.969 -8.471 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.027 -9.794 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.766 -8.490 3.773 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.094 -9.261 4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.001 -8.109 3.916 1.00 0.00 H new ATOM 151 N ILE A 10 3.410 -5.920 5.104 1.00 0.00 N ATOM 152 CA ILE A 10 4.365 -4.800 5.203 1.00 0.00 C ATOM 153 C ILE A 10 4.033 -3.872 6.380 1.00 0.00 C ATOM 154 O ILE A 10 4.870 -3.678 7.256 1.00 0.00 O ATOM 155 CB ILE A 10 4.417 -3.976 3.861 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.051 -4.833 2.728 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.162 -2.625 4.024 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.042 -4.187 1.365 1.00 0.00 C ATOM 0 H ILE A 10 2.900 -5.939 4.221 1.00 0.00 H new ATOM 0 HA ILE A 10 5.348 -5.236 5.383 1.00 0.00 H new ATOM 0 HB ILE A 10 3.391 -3.732 3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.082 -5.063 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.518 -5.782 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.170 -2.096 3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.653 -2.017 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.187 -2.811 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.504 -4.858 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.014 -3.983 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.602 -3.252 1.402 1.00 0.00 H new ATOM 170 N LEU A 11 2.808 -3.311 6.396 1.00 0.00 N ATOM 171 CA LEU A 11 2.409 -2.341 7.437 1.00 0.00 C ATOM 172 C LEU A 11 2.387 -3.002 8.828 1.00 0.00 C ATOM 173 O LEU A 11 2.759 -2.371 9.829 1.00 0.00 O ATOM 174 CB LEU A 11 1.048 -1.655 7.096 1.00 0.00 C ATOM 175 CG LEU A 11 1.108 -0.515 6.013 1.00 0.00 C ATOM 176 CD1 LEU A 11 1.390 -1.048 4.589 1.00 0.00 C ATOM 177 CD2 LEU A 11 -0.165 0.355 6.053 1.00 0.00 C ATOM 0 H LEU A 11 2.083 -3.510 5.707 1.00 0.00 H new ATOM 0 HA LEU A 11 3.161 -1.552 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.353 -2.421 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.633 -1.237 8.013 1.00 0.00 H new ATOM 0 HG LEU A 11 1.959 0.116 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.419 -0.214 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.349 -1.566 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.601 -1.740 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.097 1.135 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.038 -0.268 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.261 0.814 7.037 1.00 0.00 H new ATOM 189 N GLY A 12 1.996 -4.292 8.869 1.00 0.00 N ATOM 190 CA GLY A 12 2.050 -5.076 10.093 1.00 0.00 C ATOM 191 C GLY A 12 3.466 -5.331 10.584 1.00 0.00 C ATOM 192 O GLY A 12 3.712 -5.350 11.790 1.00 0.00 O ATOM 0 H GLY A 12 1.641 -4.802 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.491 -4.558 10.872 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.554 -6.032 9.926 1.00 0.00 H new ATOM 196 N ASP A 13 4.398 -5.490 9.632 1.00 0.00 N ATOM 197 CA ASP A 13 5.813 -5.781 9.918 1.00 0.00 C ATOM 198 C ASP A 13 6.498 -4.531 10.495 1.00 0.00 C ATOM 199 O ASP A 13 7.094 -4.578 11.575 1.00 0.00 O ATOM 200 CB ASP A 13 6.527 -6.229 8.608 1.00 0.00 C ATOM 201 CG ASP A 13 7.969 -6.723 8.823 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.162 -7.931 9.084 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.915 -5.917 8.721 1.00 0.00 O ATOM 0 H ASP A 13 4.191 -5.420 8.636 1.00 0.00 H new ATOM 0 HA ASP A 13 5.876 -6.585 10.652 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.946 -7.025 8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.540 -5.393 7.908 1.00 0.00 H new ATOM 208 N VAL A 14 6.346 -3.408 9.770 1.00 0.00 N ATOM 209 CA VAL A 14 7.023 -2.135 10.071 1.00 0.00 C ATOM 210 C VAL A 14 6.513 -1.550 11.399 1.00 0.00 C ATOM 211 O VAL A 14 7.306 -1.266 12.299 1.00 0.00 O ATOM 212 CB VAL A 14 6.816 -1.087 8.897 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.471 0.282 9.213 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.335 -1.651 7.551 1.00 0.00 C ATOM 0 H VAL A 14 5.742 -3.359 8.949 1.00 0.00 H new ATOM 0 HA VAL A 14 8.090 -2.339 10.164 1.00 0.00 H new ATOM 0 HB VAL A 14 5.743 -0.916 8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.303 0.966 8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.029 0.697 10.119 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.542 0.147 9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.181 -0.913 6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.398 -1.874 7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.791 -2.563 7.305 1.00 0.00 H new ATOM 224 N LEU A 15 5.180 -1.406 11.520 1.00 0.00 N ATOM 225 CA LEU A 15 4.558 -0.750 12.688 1.00 0.00 C ATOM 226 C LEU A 15 4.279 -1.734 13.845 1.00 0.00 C ATOM 227 O LEU A 15 3.853 -1.292 14.920 1.00 0.00 O ATOM 228 CB LEU A 15 3.267 0.019 12.289 1.00 0.00 C ATOM 229 CG LEU A 15 3.440 1.244 11.324 1.00 0.00 C ATOM 230 CD1 LEU A 15 4.636 2.140 11.733 1.00 0.00 C ATOM 231 CD2 LEU A 15 3.538 0.796 9.859 1.00 0.00 C ATOM 0 H LEU A 15 4.512 -1.735 10.823 1.00 0.00 H new ATOM 0 HA LEU A 15 5.285 -0.026 13.056 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.582 -0.688 11.820 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.786 0.371 13.202 1.00 0.00 H new ATOM 0 HG LEU A 15 2.542 1.855 11.417 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.719 2.976 11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.477 2.521 12.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.555 1.554 11.707 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.657 1.670 9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.397 0.137 9.737 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.629 0.263 9.580 1.00 0.00 H new ATOM 243 N ASN A 16 4.523 -3.050 13.620 1.00 0.00 N ATOM 244 CA ASN A 16 4.423 -4.103 14.664 1.00 0.00 C ATOM 245 C ASN A 16 2.959 -4.256 15.159 1.00 0.00 C ATOM 246 O ASN A 16 2.652 -4.119 16.349 1.00 0.00 O ATOM 247 CB ASN A 16 5.447 -3.831 15.828 1.00 0.00 C ATOM 248 CG ASN A 16 5.484 -4.923 16.914 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.811 -4.835 17.946 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.265 -5.960 16.684 1.00 0.00 N ATOM 0 H ASN A 16 4.796 -3.412 12.706 1.00 0.00 H new ATOM 0 HA ASN A 16 4.699 -5.063 14.228 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.444 -3.727 15.401 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.200 -2.878 16.297 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.324 -6.715 17.367 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.810 -6.007 15.823 1.00 0.00 H new ATOM 257 N LEU A 17 2.047 -4.515 14.201 1.00 0.00 N ATOM 258 CA LEU A 17 0.607 -4.731 14.483 1.00 0.00 C ATOM 259 C LEU A 17 0.394 -6.079 15.200 1.00 0.00 C ATOM 260 O LEU A 17 -0.539 -6.230 16.002 1.00 0.00 O ATOM 261 CB LEU A 17 -0.227 -4.685 13.159 1.00 0.00 C ATOM 262 CG LEU A 17 -0.609 -3.275 12.587 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.576 -2.542 13.525 1.00 0.00 C ATOM 264 CD2 LEU A 17 0.627 -2.408 12.296 1.00 0.00 C ATOM 0 H LEU A 17 2.283 -4.581 13.211 1.00 0.00 H new ATOM 0 HA LEU A 17 0.263 -3.930 15.137 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.333 -5.218 12.391 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.150 -5.241 13.324 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.113 -3.448 11.636 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.824 -1.568 13.103 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.487 -3.130 13.640 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.106 -2.407 14.499 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.310 -1.443 11.902 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.190 -2.257 13.217 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.259 -2.909 11.563 1.00 0.00 H new ATOM 276 N GLY A 18 1.263 -7.048 14.874 1.00 0.00 N ATOM 277 CA GLY A 18 1.196 -8.390 15.434 1.00 0.00 C ATOM 278 C GLY A 18 0.041 -9.183 14.836 1.00 0.00 C ATOM 279 O GLY A 18 0.149 -9.699 13.723 1.00 0.00 O ATOM 0 H GLY A 18 2.029 -6.915 14.214 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.134 -8.912 15.246 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.077 -8.329 16.516 1.00 0.00 H new ATOM 283 N GLU A 19 -1.078 -9.235 15.568 1.00 0.00 N ATOM 284 CA GLU A 19 -2.309 -9.937 15.146 1.00 0.00 C ATOM 285 C GLU A 19 -3.355 -8.944 14.592 1.00 0.00 C ATOM 286 O GLU A 19 -4.354 -9.360 13.989 1.00 0.00 O ATOM 287 CB GLU A 19 -2.887 -10.741 16.342 1.00 0.00 C ATOM 288 CG GLU A 19 -3.299 -9.882 17.556 1.00 0.00 C ATOM 289 CD GLU A 19 -3.866 -10.714 18.718 1.00 0.00 C ATOM 290 OE1 GLU A 19 -5.080 -10.995 18.715 1.00 0.00 O ATOM 291 OE2 GLU A 19 -3.100 -11.106 19.626 1.00 0.00 O ATOM 0 H GLU A 19 -1.161 -8.788 16.481 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.059 -10.629 14.342 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.756 -11.302 15.999 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.144 -11.470 16.665 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.433 -9.321 17.907 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.045 -9.153 17.241 1.00 0.00 H new ATOM 298 N ARG A 20 -3.120 -7.630 14.794 1.00 0.00 N ATOM 299 CA ARG A 20 -4.059 -6.577 14.332 1.00 0.00 C ATOM 300 C ARG A 20 -3.991 -6.448 12.791 1.00 0.00 C ATOM 301 O ARG A 20 -4.991 -6.127 12.140 1.00 0.00 O ATOM 302 CB ARG A 20 -3.783 -5.221 15.065 1.00 0.00 C ATOM 303 CG ARG A 20 -5.001 -4.244 15.158 1.00 0.00 C ATOM 304 CD ARG A 20 -5.300 -3.449 13.865 1.00 0.00 C ATOM 305 NE ARG A 20 -6.647 -2.837 13.897 1.00 0.00 N ATOM 306 CZ ARG A 20 -6.939 -1.536 13.700 1.00 0.00 C ATOM 307 NH1 ARG A 20 -5.989 -0.626 13.596 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.200 -1.153 13.654 1.00 0.00 N ATOM 0 H ARG A 20 -2.293 -7.271 15.271 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.078 -6.864 14.591 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.436 -5.438 16.075 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.968 -4.710 14.552 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.888 -4.817 15.428 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.820 -3.537 15.968 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.549 -2.669 13.735 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.222 -4.113 13.004 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.431 -3.461 14.087 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.009 -0.901 13.665 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.234 0.353 13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.946 -1.839 13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.429 -0.170 13.505 1.00 0.00 H new ATOM 322 N LYS A 21 -2.820 -6.753 12.206 1.00 0.00 N ATOM 323 CA LYS A 21 -2.650 -6.800 10.733 1.00 0.00 C ATOM 324 C LYS A 21 -3.409 -7.986 10.100 1.00 0.00 C ATOM 325 O LYS A 21 -3.507 -8.065 8.874 1.00 0.00 O ATOM 326 CB LYS A 21 -1.158 -6.866 10.337 1.00 0.00 C ATOM 327 CG LYS A 21 -0.349 -8.024 10.991 1.00 0.00 C ATOM 328 CD LYS A 21 0.788 -8.570 10.089 1.00 0.00 C ATOM 329 CE LYS A 21 0.300 -9.569 9.032 1.00 0.00 C ATOM 330 NZ LYS A 21 -0.647 -8.959 8.062 1.00 0.00 N ATOM 0 H LYS A 21 -1.971 -6.972 12.728 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.077 -5.875 10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.090 -6.964 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.686 -5.920 10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.080 -7.672 11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.030 -8.839 11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.279 -7.735 9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.539 -9.052 10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.158 -9.970 8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.185 -10.409 9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.646 -9.512 7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.605 -8.956 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.354 -7.982 7.858 1.00 0.00 H new ATOM 344 N HIS A 22 -3.908 -8.910 10.942 1.00 0.00 N ATOM 345 CA HIS A 22 -4.703 -10.062 10.491 1.00 0.00 C ATOM 346 C HIS A 22 -6.204 -9.706 10.447 1.00 0.00 C ATOM 347 O HIS A 22 -6.924 -10.144 9.543 1.00 0.00 O ATOM 348 CB HIS A 22 -4.448 -11.280 11.418 1.00 0.00 C ATOM 349 CG HIS A 22 -5.231 -12.523 11.071 1.00 0.00 C ATOM 350 ND1 HIS A 22 -4.883 -13.367 10.038 1.00 0.00 N ATOM 351 CD2 HIS A 22 -6.347 -13.058 11.623 1.00 0.00 C ATOM 352 CE1 HIS A 22 -5.752 -14.353 9.965 1.00 0.00 C ATOM 353 NE2 HIS A 22 -6.645 -14.192 10.918 1.00 0.00 N ATOM 0 H HIS A 22 -3.770 -8.877 11.952 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.394 -10.327 9.480 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.385 -11.520 11.393 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.686 -10.994 12.442 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.899 -12.663 12.463 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.735 -15.158 9.245 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.433 -14.813 11.102 1.00 0.00 H new ATOM 362 N THR A 23 -6.662 -8.893 11.424 1.00 0.00 N ATOM 363 CA THR A 23 -8.103 -8.578 11.594 1.00 0.00 C ATOM 364 C THR A 23 -8.577 -7.543 10.547 1.00 0.00 C ATOM 365 O THR A 23 -9.777 -7.440 10.257 1.00 0.00 O ATOM 366 CB THR A 23 -8.436 -8.079 13.049 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.858 -8.084 13.262 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.899 -6.663 13.333 1.00 0.00 C ATOM 0 H THR A 23 -6.056 -8.441 12.109 1.00 0.00 H new ATOM 0 HA THR A 23 -8.647 -9.509 11.434 1.00 0.00 H new ATOM 0 HB THR A 23 -7.941 -8.769 13.732 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.054 -7.773 14.171 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.159 -6.373 14.351 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.815 -6.655 13.219 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.343 -5.958 12.630 1.00 0.00 H new ATOM 376 N LEU A 24 -7.616 -6.778 9.990 1.00 0.00 N ATOM 377 CA LEU A 24 -7.891 -5.782 8.947 1.00 0.00 C ATOM 378 C LEU A 24 -7.849 -6.461 7.562 1.00 0.00 C ATOM 379 O LEU A 24 -7.098 -7.423 7.348 1.00 0.00 O ATOM 380 CB LEU A 24 -6.912 -4.563 9.078 1.00 0.00 C ATOM 381 CG LEU A 24 -5.365 -4.818 8.947 1.00 0.00 C ATOM 382 CD1 LEU A 24 -4.896 -4.930 7.481 1.00 0.00 C ATOM 383 CD2 LEU A 24 -4.549 -3.733 9.690 1.00 0.00 C ATOM 0 H LEU A 24 -6.632 -6.837 10.253 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.894 -5.374 9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.192 -3.832 8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.089 -4.100 10.048 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.179 -5.783 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.821 -5.106 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.411 -5.760 6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.125 -4.004 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.484 -3.939 9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.775 -2.754 9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.812 -3.740 10.748 1.00 0.00 H new ATOM 395 N THR A 25 -8.689 -5.963 6.646 1.00 0.00 N ATOM 396 CA THR A 25 -8.839 -6.491 5.275 1.00 0.00 C ATOM 397 C THR A 25 -8.583 -5.357 4.264 1.00 0.00 C ATOM 398 O THR A 25 -8.128 -4.275 4.657 1.00 0.00 O ATOM 399 CB THR A 25 -10.284 -7.056 5.074 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.243 -5.991 5.239 1.00 0.00 O ATOM 401 CG2 THR A 25 -10.612 -8.205 6.048 1.00 0.00 C ATOM 0 H THR A 25 -9.297 -5.166 6.836 1.00 0.00 H new ATOM 0 HA THR A 25 -8.120 -7.294 5.117 1.00 0.00 H new ATOM 0 HB THR A 25 -10.337 -7.464 4.065 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.148 -6.344 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.626 -8.559 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.909 -9.024 5.895 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.533 -7.846 7.074 1.00 0.00 H new ATOM 409 N ALA A 26 -8.889 -5.598 2.965 1.00 0.00 N ATOM 410 CA ALA A 26 -8.813 -4.554 1.922 1.00 0.00 C ATOM 411 C ALA A 26 -9.783 -3.401 2.232 1.00 0.00 C ATOM 412 O ALA A 26 -9.479 -2.246 1.961 1.00 0.00 O ATOM 413 CB ALA A 26 -9.102 -5.127 0.525 1.00 0.00 C ATOM 0 H ALA A 26 -9.191 -6.509 2.618 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.794 -4.168 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.037 -4.330 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.371 -5.901 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.103 -5.557 0.508 1.00 0.00 H new ATOM 419 N SER A 27 -10.927 -3.733 2.857 1.00 0.00 N ATOM 420 CA SER A 27 -11.989 -2.761 3.191 1.00 0.00 C ATOM 421 C SER A 27 -11.675 -1.961 4.485 1.00 0.00 C ATOM 422 O SER A 27 -12.485 -1.132 4.915 1.00 0.00 O ATOM 423 CB SER A 27 -13.334 -3.513 3.326 1.00 0.00 C ATOM 424 OG SER A 27 -13.624 -4.256 2.154 1.00 0.00 O ATOM 0 H SER A 27 -11.144 -4.687 3.147 1.00 0.00 H new ATOM 0 HA SER A 27 -12.049 -2.030 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.295 -4.183 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.136 -2.799 3.515 1.00 0.00 H new ATOM 0 HG SER A 27 -14.478 -4.723 2.266 1.00 0.00 H new ATOM 430 N SER A 28 -10.497 -2.201 5.090 1.00 0.00 N ATOM 431 CA SER A 28 -10.084 -1.551 6.351 1.00 0.00 C ATOM 432 C SER A 28 -9.218 -0.314 6.070 1.00 0.00 C ATOM 433 O SER A 28 -8.408 -0.314 5.137 1.00 0.00 O ATOM 434 CB SER A 28 -9.314 -2.559 7.228 1.00 0.00 C ATOM 435 OG SER A 28 -8.972 -2.022 8.496 1.00 0.00 O ATOM 0 H SER A 28 -9.804 -2.851 4.720 1.00 0.00 H new ATOM 0 HA SER A 28 -10.977 -1.223 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.921 -3.453 7.367 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.406 -2.868 6.710 1.00 0.00 H new ATOM 0 HG SER A 28 -8.941 -2.743 9.159 1.00 0.00 H new ATOM 441 N VAL A 29 -9.367 0.710 6.928 1.00 0.00 N ATOM 442 CA VAL A 29 -8.652 1.996 6.820 1.00 0.00 C ATOM 443 C VAL A 29 -7.205 1.817 7.338 1.00 0.00 C ATOM 444 O VAL A 29 -6.928 0.879 8.093 1.00 0.00 O ATOM 445 CB VAL A 29 -9.418 3.115 7.645 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.749 4.505 7.518 1.00 0.00 C ATOM 447 CG2 VAL A 29 -10.911 3.182 7.230 1.00 0.00 C ATOM 0 H VAL A 29 -9.997 0.668 7.729 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.616 2.313 5.778 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.360 2.830 8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.312 5.234 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.727 4.452 7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.737 4.809 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.415 3.956 7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.983 3.418 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.385 2.219 7.421 1.00 0.00 H new ATOM 457 N LEU A 30 -6.266 2.686 6.905 1.00 0.00 N ATOM 458 CA LEU A 30 -4.860 2.646 7.378 1.00 0.00 C ATOM 459 C LEU A 30 -4.491 3.972 8.060 1.00 0.00 C ATOM 460 O LEU A 30 -4.169 3.985 9.260 1.00 0.00 O ATOM 461 CB LEU A 30 -3.909 2.319 6.204 1.00 0.00 C ATOM 462 CG LEU A 30 -4.201 0.971 5.473 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.273 0.790 4.267 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.112 -0.241 6.440 1.00 0.00 C ATOM 0 H LEU A 30 -6.454 3.425 6.228 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.753 1.854 8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.963 3.129 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.886 2.297 6.580 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.227 1.013 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.496 -0.157 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.426 1.609 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.236 0.788 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.322 -1.160 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.110 -0.293 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.841 -0.122 7.241 1.00 0.00 H new ATOM 476 N LEU A 31 -4.523 5.078 7.283 1.00 0.00 N ATOM 477 CA LEU A 31 -4.354 6.445 7.812 1.00 0.00 C ATOM 478 C LEU A 31 -5.380 6.736 8.934 1.00 0.00 C ATOM 479 O LEU A 31 -6.586 6.803 8.677 1.00 0.00 O ATOM 480 CB LEU A 31 -4.502 7.492 6.670 1.00 0.00 C ATOM 481 CG LEU A 31 -3.385 7.520 5.585 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.732 8.497 4.447 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.012 7.864 6.184 1.00 0.00 C ATOM 0 H LEU A 31 -4.667 5.045 6.274 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.352 6.521 8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.455 7.316 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.558 8.482 7.123 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.326 6.514 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.932 8.492 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.665 8.189 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.845 9.502 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.262 7.873 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.056 8.847 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.743 7.117 6.931 1.00 0.00 H new ATOM 495 N GLY A 32 -4.874 6.885 10.173 1.00 0.00 N ATOM 496 CA GLY A 32 -5.701 7.197 11.346 1.00 0.00 C ATOM 497 C GLY A 32 -6.171 5.956 12.102 1.00 0.00 C ATOM 498 O GLY A 32 -6.320 6.001 13.333 1.00 0.00 O ATOM 0 H GLY A 32 -3.881 6.792 10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.132 7.833 12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.571 7.770 11.026 1.00 0.00 H new ATOM 502 N ASN A 33 -6.421 4.853 11.363 1.00 0.00 N ATOM 503 CA ASN A 33 -6.914 3.581 11.945 1.00 0.00 C ATOM 504 C ASN A 33 -5.803 2.904 12.752 1.00 0.00 C ATOM 505 O ASN A 33 -6.047 2.336 13.824 1.00 0.00 O ATOM 506 CB ASN A 33 -7.407 2.620 10.839 1.00 0.00 C ATOM 507 CG ASN A 33 -8.042 1.328 11.385 1.00 0.00 C ATOM 508 OD1 ASN A 33 -8.734 1.344 12.402 1.00 0.00 O ATOM 509 ND2 ASN A 33 -7.783 0.194 10.745 1.00 0.00 N ATOM 0 H ASN A 33 -6.288 4.817 10.352 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.751 3.815 12.603 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.136 3.139 10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.567 2.359 10.195 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.160 -0.687 11.095 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.207 0.204 9.903 1.00 0.00 H new ATOM 516 N ILE A 34 -4.586 2.941 12.197 1.00 0.00 N ATOM 517 CA ILE A 34 -3.391 2.443 12.876 1.00 0.00 C ATOM 518 C ILE A 34 -2.771 3.617 13.673 1.00 0.00 C ATOM 519 O ILE A 34 -2.386 4.625 13.059 1.00 0.00 O ATOM 520 CB ILE A 34 -2.323 1.876 11.870 1.00 0.00 C ATOM 521 CG1 ILE A 34 -2.966 0.943 10.784 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.184 1.157 12.635 1.00 0.00 C ATOM 523 CD1 ILE A 34 -3.681 -0.293 11.312 1.00 0.00 C ATOM 0 H ILE A 34 -4.405 3.317 11.266 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.682 1.622 13.531 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.894 2.723 11.334 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.677 1.530 10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.182 0.621 10.098 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.454 0.771 11.923 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.696 1.862 13.308 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.599 0.331 13.213 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.086 -0.864 10.476 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.976 -0.912 11.866 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.494 0.011 11.972 1.00 0.00 H new ATOM 535 N PRO A 35 -2.656 3.514 15.035 1.00 0.00 N ATOM 536 CA PRO A 35 -2.090 4.597 15.875 1.00 0.00 C ATOM 537 C PRO A 35 -0.575 4.780 15.671 1.00 0.00 C ATOM 538 O PRO A 35 -0.007 5.776 16.116 1.00 0.00 O ATOM 539 CB PRO A 35 -2.421 4.145 17.323 1.00 0.00 C ATOM 540 CG PRO A 35 -2.514 2.655 17.242 1.00 0.00 C ATOM 541 CD PRO A 35 -3.057 2.346 15.859 1.00 0.00 C ATOM 0 HA PRO A 35 -2.510 5.571 15.623 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.645 4.456 18.022 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.357 4.582 17.670 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.537 2.194 17.390 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.172 2.262 18.017 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.638 1.420 15.466 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.140 2.224 15.875 1.00 0.00 H new ATOM 549 N GLU A 36 0.068 3.815 14.992 1.00 0.00 N ATOM 550 CA GLU A 36 1.508 3.867 14.687 1.00 0.00 C ATOM 551 C GLU A 36 1.766 4.491 13.308 1.00 0.00 C ATOM 552 O GLU A 36 2.850 5.025 13.064 1.00 0.00 O ATOM 553 CB GLU A 36 2.107 2.442 14.761 1.00 0.00 C ATOM 554 CG GLU A 36 2.109 1.818 16.166 1.00 0.00 C ATOM 555 CD GLU A 36 2.927 2.634 17.181 1.00 0.00 C ATOM 556 OE1 GLU A 36 4.172 2.557 17.156 1.00 0.00 O ATOM 557 OE2 GLU A 36 2.335 3.361 18.004 1.00 0.00 O ATOM 0 H GLU A 36 -0.395 2.978 14.639 1.00 0.00 H new ATOM 0 HA GLU A 36 1.995 4.501 15.428 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.546 1.791 14.090 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.132 2.474 14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.082 1.730 16.521 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.514 0.808 16.109 1.00 0.00 H new ATOM 564 N LEU A 37 0.754 4.426 12.423 1.00 0.00 N ATOM 565 CA LEU A 37 0.860 4.918 11.034 1.00 0.00 C ATOM 566 C LEU A 37 0.693 6.459 11.043 1.00 0.00 C ATOM 567 O LEU A 37 -0.408 6.987 10.872 1.00 0.00 O ATOM 568 CB LEU A 37 -0.184 4.171 10.123 1.00 0.00 C ATOM 569 CG LEU A 37 0.085 4.082 8.574 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.065 5.442 7.887 1.00 0.00 C ATOM 571 CD2 LEU A 37 1.465 3.455 8.273 1.00 0.00 C ATOM 0 H LEU A 37 -0.159 4.032 12.649 1.00 0.00 H new ATOM 0 HA LEU A 37 1.839 4.701 10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.281 3.153 10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.150 4.656 10.263 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.678 3.423 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.129 5.334 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.078 5.815 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.647 6.147 8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.617 3.409 7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.248 4.065 8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.505 2.448 8.688 1.00 0.00 H new ATOM 583 N ASP A 38 1.804 7.151 11.344 1.00 0.00 N ATOM 584 CA ASP A 38 1.895 8.627 11.411 1.00 0.00 C ATOM 585 C ASP A 38 2.873 9.121 10.296 1.00 0.00 C ATOM 586 O ASP A 38 3.052 8.414 9.307 1.00 0.00 O ATOM 587 CB ASP A 38 2.344 9.011 12.864 1.00 0.00 C ATOM 588 CG ASP A 38 2.113 10.491 13.228 1.00 0.00 C ATOM 589 OD1 ASP A 38 0.944 10.913 13.331 1.00 0.00 O ATOM 590 OD2 ASP A 38 3.101 11.246 13.390 1.00 0.00 O ATOM 0 H ASP A 38 2.690 6.691 11.554 1.00 0.00 H new ATOM 0 HA ASP A 38 0.940 9.117 11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.805 8.385 13.576 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.404 8.782 12.977 1.00 0.00 H new ATOM 595 N SER A 39 3.499 10.312 10.466 1.00 0.00 N ATOM 596 CA SER A 39 4.276 11.024 9.421 1.00 0.00 C ATOM 597 C SER A 39 5.404 10.163 8.772 1.00 0.00 C ATOM 598 O SER A 39 5.285 9.690 7.617 1.00 0.00 O ATOM 599 CB SER A 39 4.853 12.319 10.066 1.00 0.00 C ATOM 600 OG SER A 39 5.568 13.095 9.115 1.00 0.00 O ATOM 0 H SER A 39 3.477 10.815 11.353 1.00 0.00 H new ATOM 0 HA SER A 39 3.605 11.259 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.040 12.912 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.513 12.054 10.892 1.00 0.00 H new ATOM 0 HG SER A 39 5.917 13.902 9.547 1.00 0.00 H new ATOM 605 N MET A 40 6.475 9.903 9.530 1.00 0.00 N ATOM 606 CA MET A 40 7.597 9.077 9.046 1.00 0.00 C ATOM 607 C MET A 40 7.165 7.631 8.757 1.00 0.00 C ATOM 608 O MET A 40 7.776 6.968 7.929 1.00 0.00 O ATOM 609 CB MET A 40 8.788 9.115 10.036 1.00 0.00 C ATOM 610 CG MET A 40 9.525 10.465 10.060 1.00 0.00 C ATOM 611 SD MET A 40 10.116 10.954 8.414 1.00 0.00 S ATOM 612 CE MET A 40 11.140 9.555 7.941 1.00 0.00 C ATOM 0 H MET A 40 6.592 10.251 10.482 1.00 0.00 H new ATOM 0 HA MET A 40 7.928 9.509 8.102 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.424 8.891 11.039 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.495 8.329 9.771 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.857 11.234 10.448 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.371 10.403 10.744 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.740 9.821 7.070 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.799 9.290 8.768 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.504 8.704 7.697 1.00 0.00 H new ATOM 622 N ALA A 41 6.087 7.190 9.406 1.00 0.00 N ATOM 623 CA ALA A 41 5.541 5.841 9.241 1.00 0.00 C ATOM 624 C ALA A 41 4.948 5.636 7.837 1.00 0.00 C ATOM 625 O ALA A 41 5.104 4.550 7.276 1.00 0.00 O ATOM 626 CB ALA A 41 4.499 5.555 10.310 1.00 0.00 C ATOM 0 H ALA A 41 5.563 7.764 10.067 1.00 0.00 H new ATOM 0 HA ALA A 41 6.363 5.135 9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.104 4.549 10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.958 5.633 11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.687 6.278 10.229 1.00 0.00 H new ATOM 632 N VAL A 42 4.278 6.691 7.277 1.00 0.00 N ATOM 633 CA VAL A 42 3.761 6.641 5.885 1.00 0.00 C ATOM 634 C VAL A 42 4.944 6.485 4.922 1.00 0.00 C ATOM 635 O VAL A 42 4.890 5.693 3.981 1.00 0.00 O ATOM 636 CB VAL A 42 2.867 7.890 5.429 1.00 0.00 C ATOM 637 CG1 VAL A 42 1.746 8.208 6.432 1.00 0.00 C ATOM 638 CG2 VAL A 42 3.684 9.172 5.095 1.00 0.00 C ATOM 0 H VAL A 42 4.090 7.567 7.764 1.00 0.00 H new ATOM 0 HA VAL A 42 3.086 5.786 5.856 1.00 0.00 H new ATOM 0 HB VAL A 42 2.409 7.565 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.170 9.062 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.090 7.343 6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.182 8.444 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.004 9.969 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.245 9.485 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.376 8.960 4.280 1.00 0.00 H new ATOM 648 N VAL A 43 6.038 7.213 5.221 1.00 0.00 N ATOM 649 CA VAL A 43 7.234 7.219 4.346 1.00 0.00 C ATOM 650 C VAL A 43 7.966 5.864 4.409 1.00 0.00 C ATOM 651 O VAL A 43 8.418 5.343 3.386 1.00 0.00 O ATOM 652 CB VAL A 43 8.215 8.377 4.732 1.00 0.00 C ATOM 653 CG1 VAL A 43 9.308 8.599 3.659 1.00 0.00 C ATOM 654 CG2 VAL A 43 7.422 9.660 5.005 1.00 0.00 C ATOM 0 H VAL A 43 6.121 7.799 6.051 1.00 0.00 H new ATOM 0 HA VAL A 43 6.892 7.386 3.325 1.00 0.00 H new ATOM 0 HB VAL A 43 8.739 8.089 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.964 9.412 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.892 7.686 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.839 8.856 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.109 10.462 5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.867 9.942 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.725 9.489 5.826 1.00 0.00 H new ATOM 664 N ASN A 44 8.043 5.315 5.633 1.00 0.00 N ATOM 665 CA ASN A 44 8.711 4.033 5.927 1.00 0.00 C ATOM 666 C ASN A 44 8.026 2.852 5.227 1.00 0.00 C ATOM 667 O ASN A 44 8.709 1.957 4.714 1.00 0.00 O ATOM 668 CB ASN A 44 8.783 3.791 7.474 1.00 0.00 C ATOM 669 CG ASN A 44 10.102 4.261 8.103 1.00 0.00 C ATOM 670 OD1 ASN A 44 11.092 3.526 8.107 1.00 0.00 O ATOM 671 ND2 ASN A 44 10.123 5.455 8.659 1.00 0.00 N ATOM 0 H ASN A 44 7.637 5.755 6.459 1.00 0.00 H new ATOM 0 HA ASN A 44 9.725 4.098 5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.954 4.311 7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.652 2.728 7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.974 5.793 9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.288 6.041 8.640 1.00 0.00 H new ATOM 678 N VAL A 45 6.684 2.845 5.215 1.00 0.00 N ATOM 679 CA VAL A 45 5.923 1.769 4.563 1.00 0.00 C ATOM 680 C VAL A 45 5.970 1.898 3.037 1.00 0.00 C ATOM 681 O VAL A 45 5.991 0.877 2.363 1.00 0.00 O ATOM 682 CB VAL A 45 4.447 1.658 5.076 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.428 1.201 6.544 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.672 2.974 4.898 1.00 0.00 C ATOM 0 H VAL A 45 6.107 3.567 5.646 1.00 0.00 H new ATOM 0 HA VAL A 45 6.415 0.838 4.844 1.00 0.00 H new ATOM 0 HB VAL A 45 3.940 0.909 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.397 1.128 6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.909 0.226 6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.965 1.925 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.654 2.850 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.167 3.767 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.645 3.240 3.841 1.00 0.00 H new ATOM 694 N ILE A 46 6.022 3.146 2.499 1.00 0.00 N ATOM 695 CA ILE A 46 6.224 3.372 1.038 1.00 0.00 C ATOM 696 C ILE A 46 7.562 2.743 0.601 1.00 0.00 C ATOM 697 O ILE A 46 7.619 1.996 -0.381 1.00 0.00 O ATOM 698 CB ILE A 46 6.216 4.905 0.654 1.00 0.00 C ATOM 699 CG1 ILE A 46 4.819 5.540 0.937 1.00 0.00 C ATOM 700 CG2 ILE A 46 6.629 5.124 -0.830 1.00 0.00 C ATOM 701 CD1 ILE A 46 4.778 7.061 0.877 1.00 0.00 C ATOM 0 H ILE A 46 5.928 4.002 3.045 1.00 0.00 H new ATOM 0 HA ILE A 46 5.389 2.901 0.519 1.00 0.00 H new ATOM 0 HB ILE A 46 6.955 5.405 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.104 5.144 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.485 5.221 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.612 6.190 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.634 4.734 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.930 4.602 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.766 7.406 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.463 7.473 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.076 7.394 -0.117 1.00 0.00 H new ATOM 713 N THR A 47 8.612 3.032 1.397 1.00 0.00 N ATOM 714 CA THR A 47 9.974 2.511 1.183 1.00 0.00 C ATOM 715 C THR A 47 9.963 0.969 1.215 1.00 0.00 C ATOM 716 O THR A 47 10.566 0.315 0.366 1.00 0.00 O ATOM 717 CB THR A 47 10.957 3.061 2.272 1.00 0.00 C ATOM 718 OG1 THR A 47 10.901 4.492 2.297 1.00 0.00 O ATOM 719 CG2 THR A 47 12.413 2.623 2.033 1.00 0.00 C ATOM 0 H THR A 47 8.535 3.639 2.213 1.00 0.00 H new ATOM 0 HA THR A 47 10.319 2.846 0.205 1.00 0.00 H new ATOM 0 HB THR A 47 10.637 2.644 3.227 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.070 4.779 2.730 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.050 3.033 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.473 1.535 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.749 2.991 1.064 1.00 0.00 H new ATOM 727 N ALA A 48 9.227 0.415 2.192 1.00 0.00 N ATOM 728 CA ALA A 48 9.060 -1.034 2.359 1.00 0.00 C ATOM 729 C ALA A 48 8.268 -1.659 1.181 1.00 0.00 C ATOM 730 O ALA A 48 8.536 -2.787 0.805 1.00 0.00 O ATOM 731 CB ALA A 48 8.405 -1.329 3.715 1.00 0.00 C ATOM 0 H ALA A 48 8.729 0.965 2.892 1.00 0.00 H new ATOM 0 HA ALA A 48 10.044 -1.502 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.283 -2.406 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.037 -0.945 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.429 -0.846 3.760 1.00 0.00 H new ATOM 737 N LEU A 49 7.315 -0.908 0.581 1.00 0.00 N ATOM 738 CA LEU A 49 6.603 -1.352 -0.652 1.00 0.00 C ATOM 739 C LEU A 49 7.630 -1.574 -1.790 1.00 0.00 C ATOM 740 O LEU A 49 7.607 -2.618 -2.475 1.00 0.00 O ATOM 741 CB LEU A 49 5.481 -0.326 -1.083 1.00 0.00 C ATOM 742 CG LEU A 49 4.003 -0.645 -0.652 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.554 -2.013 -1.187 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.794 -0.549 0.872 1.00 0.00 C ATOM 0 H LEU A 49 7.019 0.005 0.925 1.00 0.00 H new ATOM 0 HA LEU A 49 6.098 -2.294 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.746 0.651 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.504 -0.239 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 49 3.374 0.123 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.528 -2.207 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.607 -2.013 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.208 -2.791 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.756 -0.779 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.449 -1.261 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.029 0.461 1.209 1.00 0.00 H new ATOM 756 N GLU A 50 8.556 -0.589 -1.928 1.00 0.00 N ATOM 757 CA GLU A 50 9.653 -0.624 -2.925 1.00 0.00 C ATOM 758 C GLU A 50 10.517 -1.886 -2.737 1.00 0.00 C ATOM 759 O GLU A 50 10.780 -2.608 -3.693 1.00 0.00 O ATOM 760 CB GLU A 50 10.571 0.641 -2.821 1.00 0.00 C ATOM 761 CG GLU A 50 9.860 1.983 -2.573 1.00 0.00 C ATOM 762 CD GLU A 50 8.886 2.422 -3.674 1.00 0.00 C ATOM 763 OE1 GLU A 50 7.783 1.853 -3.773 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.212 3.368 -4.430 1.00 0.00 O ATOM 0 H GLU A 50 8.561 0.251 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 50 9.187 -0.638 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.286 0.479 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.145 0.724 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.313 1.917 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.616 2.758 -2.449 1.00 0.00 H new ATOM 771 N GLU A 51 10.933 -2.132 -1.479 1.00 0.00 N ATOM 772 CA GLU A 51 11.869 -3.222 -1.128 1.00 0.00 C ATOM 773 C GLU A 51 11.242 -4.619 -1.352 1.00 0.00 C ATOM 774 O GLU A 51 11.832 -5.463 -2.037 1.00 0.00 O ATOM 775 CB GLU A 51 12.344 -3.076 0.349 1.00 0.00 C ATOM 776 CG GLU A 51 12.976 -1.709 0.713 1.00 0.00 C ATOM 777 CD GLU A 51 14.171 -1.312 -0.175 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.294 -1.803 0.071 1.00 0.00 O ATOM 779 OE2 GLU A 51 13.999 -0.510 -1.124 1.00 0.00 O ATOM 0 H GLU A 51 10.630 -1.581 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 51 12.729 -3.137 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.491 -3.249 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.071 -3.860 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.211 -0.936 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.303 -1.737 1.752 1.00 0.00 H new ATOM 786 N TYR A 52 10.044 -4.838 -0.771 1.00 0.00 N ATOM 787 CA TYR A 52 9.325 -6.135 -0.830 1.00 0.00 C ATOM 788 C TYR A 52 8.975 -6.527 -2.277 1.00 0.00 C ATOM 789 O TYR A 52 9.440 -7.564 -2.774 1.00 0.00 O ATOM 790 CB TYR A 52 8.032 -6.103 0.040 1.00 0.00 C ATOM 791 CG TYR A 52 8.245 -6.227 1.567 1.00 0.00 C ATOM 792 CD1 TYR A 52 8.923 -5.250 2.295 1.00 0.00 C ATOM 793 CD2 TYR A 52 7.738 -7.315 2.280 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.090 -5.351 3.659 1.00 0.00 C ATOM 795 CE2 TYR A 52 7.897 -7.417 3.646 1.00 0.00 C ATOM 796 CZ TYR A 52 8.571 -6.434 4.330 1.00 0.00 C ATOM 797 OH TYR A 52 8.722 -6.529 5.694 1.00 0.00 O ATOM 0 H TYR A 52 9.544 -4.121 -0.246 1.00 0.00 H new ATOM 0 HA TYR A 52 10.000 -6.890 -0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.505 -5.170 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.379 -6.913 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.327 -4.393 1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.210 -8.094 1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.626 -4.584 4.199 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.493 -8.267 4.177 1.00 0.00 H new ATOM 0 HH TYR A 52 8.297 -7.352 6.014 1.00 0.00 H new ATOM 807 N PHE A 53 8.174 -5.678 -2.953 1.00 0.00 N ATOM 808 CA PHE A 53 7.654 -5.986 -4.300 1.00 0.00 C ATOM 809 C PHE A 53 8.726 -5.758 -5.383 1.00 0.00 C ATOM 810 O PHE A 53 8.576 -6.245 -6.513 1.00 0.00 O ATOM 811 CB PHE A 53 6.411 -5.123 -4.596 1.00 0.00 C ATOM 812 CG PHE A 53 5.144 -5.472 -3.810 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.048 -5.232 -2.440 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.037 -6.024 -4.452 1.00 0.00 C ATOM 815 CE1 PHE A 53 3.887 -5.537 -1.749 1.00 0.00 C ATOM 816 CE2 PHE A 53 2.882 -6.320 -3.762 1.00 0.00 C ATOM 817 CZ PHE A 53 2.806 -6.078 -2.412 1.00 0.00 C ATOM 0 H PHE A 53 7.874 -4.774 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 53 7.376 -7.040 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.662 -4.081 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.186 -5.199 -5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.887 -4.804 -1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.086 -6.224 -5.512 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.828 -5.350 -0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.036 -6.743 -4.283 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.901 -6.311 -1.871 1.00 0.00 H new ATOM 827 N ASP A 54 9.780 -4.993 -5.024 1.00 0.00 N ATOM 828 CA ASP A 54 10.938 -4.702 -5.885 1.00 0.00 C ATOM 829 C ASP A 54 10.490 -3.859 -7.097 1.00 0.00 C ATOM 830 O ASP A 54 10.533 -4.298 -8.257 1.00 0.00 O ATOM 831 CB ASP A 54 11.714 -6.002 -6.280 1.00 0.00 C ATOM 832 CG ASP A 54 13.088 -5.737 -6.927 1.00 0.00 C ATOM 833 OD1 ASP A 54 14.030 -5.365 -6.201 1.00 0.00 O ATOM 834 OD2 ASP A 54 13.241 -5.901 -8.156 1.00 0.00 O ATOM 0 H ASP A 54 9.847 -4.553 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 54 11.657 -4.105 -5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.855 -6.614 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.103 -6.582 -6.972 1.00 0.00 H new ATOM 839 N PHE A 55 9.983 -2.650 -6.784 1.00 0.00 N ATOM 840 CA PHE A 55 9.567 -1.649 -7.787 1.00 0.00 C ATOM 841 C PHE A 55 9.833 -0.222 -7.273 1.00 0.00 C ATOM 842 O PHE A 55 10.559 -0.022 -6.290 1.00 0.00 O ATOM 843 CB PHE A 55 8.060 -1.846 -8.183 1.00 0.00 C ATOM 844 CG PHE A 55 6.981 -1.807 -7.067 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.071 -0.981 -5.939 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.849 -2.612 -7.169 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.089 -0.969 -4.976 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.859 -2.591 -6.204 1.00 0.00 C ATOM 849 CZ PHE A 55 4.983 -1.771 -5.104 1.00 0.00 C ATOM 0 H PHE A 55 9.850 -2.338 -5.822 1.00 0.00 H new ATOM 0 HA PHE A 55 10.164 -1.795 -8.687 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.808 -1.077 -8.913 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.975 -2.807 -8.690 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.931 -0.339 -5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.742 -3.267 -8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.189 -0.325 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.987 -3.219 -6.313 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.214 -1.759 -4.346 1.00 0.00 H new ATOM 859 N SER A 56 9.250 0.766 -7.963 1.00 0.00 N ATOM 860 CA SER A 56 9.171 2.146 -7.477 1.00 0.00 C ATOM 861 C SER A 56 7.737 2.687 -7.657 1.00 0.00 C ATOM 862 O SER A 56 7.248 2.820 -8.795 1.00 0.00 O ATOM 863 CB SER A 56 10.200 3.025 -8.224 1.00 0.00 C ATOM 864 OG SER A 56 11.515 2.498 -8.085 1.00 0.00 O ATOM 0 H SER A 56 8.819 0.629 -8.877 1.00 0.00 H new ATOM 0 HA SER A 56 9.410 2.172 -6.414 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.937 3.082 -9.280 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.168 4.042 -7.832 1.00 0.00 H new ATOM 0 HG SER A 56 12.149 3.069 -8.567 1.00 0.00 H new ATOM 870 N VAL A 57 7.042 2.941 -6.525 1.00 0.00 N ATOM 871 CA VAL A 57 5.785 3.703 -6.512 1.00 0.00 C ATOM 872 C VAL A 57 6.151 5.177 -6.753 1.00 0.00 C ATOM 873 O VAL A 57 6.769 5.829 -5.898 1.00 0.00 O ATOM 874 CB VAL A 57 4.962 3.540 -5.164 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.659 4.366 -5.186 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.634 2.060 -4.882 1.00 0.00 C ATOM 0 H VAL A 57 7.340 2.623 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 57 5.129 3.318 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 57 5.597 3.919 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.125 4.228 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.899 5.421 -5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.031 4.033 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.070 1.983 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.039 1.657 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.560 1.493 -4.793 1.00 0.00 H new ATOM 886 N ASP A 58 5.798 5.653 -7.950 1.00 0.00 N ATOM 887 CA ASP A 58 6.196 6.983 -8.470 1.00 0.00 C ATOM 888 C ASP A 58 5.609 8.110 -7.584 1.00 0.00 C ATOM 889 O ASP A 58 4.538 7.945 -7.007 1.00 0.00 O ATOM 890 CB ASP A 58 5.726 7.116 -9.946 1.00 0.00 C ATOM 891 CG ASP A 58 6.189 8.414 -10.626 1.00 0.00 C ATOM 892 OD1 ASP A 58 7.325 8.456 -11.137 1.00 0.00 O ATOM 893 OD2 ASP A 58 5.430 9.395 -10.647 1.00 0.00 O ATOM 0 H ASP A 58 5.219 5.124 -8.602 1.00 0.00 H new ATOM 0 HA ASP A 58 7.281 7.079 -8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.099 6.265 -10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.638 7.068 -9.977 1.00 0.00 H new ATOM 898 N ASP A 59 6.317 9.249 -7.478 1.00 0.00 N ATOM 899 CA ASP A 59 5.918 10.366 -6.586 1.00 0.00 C ATOM 900 C ASP A 59 4.527 10.953 -6.972 1.00 0.00 C ATOM 901 O ASP A 59 3.759 11.372 -6.097 1.00 0.00 O ATOM 902 CB ASP A 59 7.015 11.461 -6.604 1.00 0.00 C ATOM 903 CG ASP A 59 6.737 12.622 -5.634 1.00 0.00 C ATOM 904 OD1 ASP A 59 7.040 12.497 -4.432 1.00 0.00 O ATOM 905 OD2 ASP A 59 6.204 13.666 -6.062 1.00 0.00 O ATOM 0 H ASP A 59 7.175 9.426 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 59 5.819 9.977 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.974 11.008 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.106 11.857 -7.616 1.00 0.00 H new ATOM 910 N ASP A 60 4.201 10.923 -8.282 1.00 0.00 N ATOM 911 CA ASP A 60 2.930 11.468 -8.824 1.00 0.00 C ATOM 912 C ASP A 60 1.718 10.603 -8.407 1.00 0.00 C ATOM 913 O ASP A 60 0.601 11.116 -8.283 1.00 0.00 O ATOM 914 CB ASP A 60 3.007 11.585 -10.374 1.00 0.00 C ATOM 915 CG ASP A 60 1.731 12.168 -11.021 1.00 0.00 C ATOM 916 OD1 ASP A 60 1.556 13.398 -11.004 1.00 0.00 O ATOM 917 OD2 ASP A 60 0.893 11.397 -11.536 1.00 0.00 O ATOM 0 H ASP A 60 4.809 10.521 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 60 2.788 12.463 -8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.857 12.214 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.197 10.597 -10.794 1.00 0.00 H new ATOM 922 N GLU A 61 1.948 9.297 -8.176 1.00 0.00 N ATOM 923 CA GLU A 61 0.863 8.358 -7.803 1.00 0.00 C ATOM 924 C GLU A 61 0.733 8.244 -6.262 1.00 0.00 C ATOM 925 O GLU A 61 -0.268 7.714 -5.768 1.00 0.00 O ATOM 926 CB GLU A 61 1.052 6.967 -8.479 1.00 0.00 C ATOM 927 CG GLU A 61 2.261 6.160 -7.990 1.00 0.00 C ATOM 928 CD GLU A 61 2.492 4.836 -8.740 1.00 0.00 C ATOM 929 OE1 GLU A 61 3.200 4.844 -9.770 1.00 0.00 O ATOM 930 OE2 GLU A 61 1.992 3.783 -8.297 1.00 0.00 O ATOM 0 H GLU A 61 2.870 8.865 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.076 8.764 -8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.151 6.376 -8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.145 7.114 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.155 6.776 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.133 5.944 -6.929 1.00 0.00 H new ATOM 937 N ILE A 62 1.737 8.767 -5.515 1.00 0.00 N ATOM 938 CA ILE A 62 1.694 8.824 -4.037 1.00 0.00 C ATOM 939 C ILE A 62 0.938 10.086 -3.576 1.00 0.00 C ATOM 940 O ILE A 62 1.456 11.204 -3.688 1.00 0.00 O ATOM 941 CB ILE A 62 3.126 8.836 -3.380 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.968 7.622 -3.848 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.029 8.861 -1.828 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.351 7.532 -3.234 1.00 0.00 C ATOM 0 H ILE A 62 2.590 9.157 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 62 1.180 7.919 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 62 3.629 9.746 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.422 6.708 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.069 7.665 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.032 8.869 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.493 9.756 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.494 7.976 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.864 6.652 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.921 8.426 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.264 7.454 -2.150 1.00 0.00 H new ATOM 956 N SER A 63 -0.277 9.883 -3.076 1.00 0.00 N ATOM 957 CA SER A 63 -1.089 10.920 -2.420 1.00 0.00 C ATOM 958 C SER A 63 -1.595 10.372 -1.072 1.00 0.00 C ATOM 959 O SER A 63 -1.299 9.223 -0.725 1.00 0.00 O ATOM 960 CB SER A 63 -2.259 11.312 -3.354 1.00 0.00 C ATOM 961 OG SER A 63 -3.058 10.183 -3.691 1.00 0.00 O ATOM 0 H SER A 63 -0.741 8.975 -3.113 1.00 0.00 H new ATOM 0 HA SER A 63 -0.498 11.815 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.878 12.065 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.864 11.764 -4.264 1.00 0.00 H new ATOM 0 HG SER A 63 -3.789 10.464 -4.280 1.00 0.00 H new ATOM 967 N ALA A 64 -2.357 11.189 -0.319 1.00 0.00 N ATOM 968 CA ALA A 64 -3.003 10.746 0.941 1.00 0.00 C ATOM 969 C ALA A 64 -4.047 9.647 0.642 1.00 0.00 C ATOM 970 O ALA A 64 -4.198 8.682 1.396 1.00 0.00 O ATOM 971 CB ALA A 64 -3.651 11.938 1.666 1.00 0.00 C ATOM 0 H ALA A 64 -2.543 12.163 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.241 10.329 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.119 11.592 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.887 12.679 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.406 12.389 1.022 1.00 0.00 H new ATOM 977 N GLN A 65 -4.700 9.785 -0.527 1.00 0.00 N ATOM 978 CA GLN A 65 -5.735 8.848 -1.008 1.00 0.00 C ATOM 979 C GLN A 65 -5.150 7.455 -1.362 1.00 0.00 C ATOM 980 O GLN A 65 -5.906 6.495 -1.558 1.00 0.00 O ATOM 981 CB GLN A 65 -6.465 9.458 -2.235 1.00 0.00 C ATOM 982 CG GLN A 65 -7.091 10.853 -2.001 1.00 0.00 C ATOM 983 CD GLN A 65 -8.070 10.897 -0.821 1.00 0.00 C ATOM 984 OE1 GLN A 65 -9.265 10.660 -0.985 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.568 11.214 0.367 1.00 0.00 N ATOM 0 H GLN A 65 -4.523 10.556 -1.170 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.447 8.696 -0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.757 9.529 -3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.252 8.772 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.293 11.575 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.612 11.165 -2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.571 11.404 0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.180 11.267 1.181 1.00 0.00 H new ATOM 994 N THR A 66 -3.808 7.353 -1.448 1.00 0.00 N ATOM 995 CA THR A 66 -3.119 6.076 -1.695 1.00 0.00 C ATOM 996 C THR A 66 -3.218 5.157 -0.458 1.00 0.00 C ATOM 997 O THR A 66 -3.442 3.960 -0.608 1.00 0.00 O ATOM 998 CB THR A 66 -1.617 6.306 -2.091 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.559 7.181 -3.228 1.00 0.00 O ATOM 1000 CG2 THR A 66 -0.866 4.992 -2.419 1.00 0.00 C ATOM 0 H THR A 66 -3.178 8.149 -1.349 1.00 0.00 H new ATOM 0 HA THR A 66 -3.615 5.586 -2.533 1.00 0.00 H new ATOM 0 HB THR A 66 -1.121 6.749 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.873 6.704 -4.024 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.166 5.220 -2.685 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.880 4.337 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.355 4.493 -3.256 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.083 5.731 0.765 1.00 0.00 N ATOM 1009 CA PHE A 67 -3.110 4.945 2.037 1.00 0.00 C ATOM 1010 C PHE A 67 -4.404 5.153 2.843 1.00 0.00 C ATOM 1011 O PHE A 67 -4.439 4.821 4.043 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.863 5.266 2.919 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.554 4.622 2.449 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.190 5.172 1.406 1.00 0.00 C ATOM 1015 CD2 PHE A 67 -0.072 3.459 3.057 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.367 4.585 0.983 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.106 2.872 2.631 1.00 0.00 C ATOM 1018 CZ PHE A 67 1.828 3.437 1.598 1.00 0.00 C ATOM 0 H PHE A 67 -2.954 6.733 0.902 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.081 3.894 1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.728 6.347 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.065 4.940 3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.159 6.071 0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.626 3.013 3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.927 5.024 0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.462 1.970 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.752 2.982 1.272 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.472 5.663 2.196 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.782 5.843 2.870 1.00 0.00 C ATOM 1030 C GLU A 68 -7.336 4.477 3.337 1.00 0.00 C ATOM 1031 O GLU A 68 -7.906 4.368 4.425 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.805 6.586 1.961 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.227 5.831 0.685 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.339 6.548 -0.102 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.031 7.458 -0.890 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.531 6.216 0.083 1.00 0.00 O ATOM 0 H GLU A 68 -5.458 5.956 1.219 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.624 6.471 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.698 6.800 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.377 7.545 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.357 5.705 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.569 4.833 0.957 1.00 0.00 H new ATOM 1043 N THR A 69 -7.134 3.434 2.507 1.00 0.00 N ATOM 1044 CA THR A 69 -7.509 2.051 2.841 1.00 0.00 C ATOM 1045 C THR A 69 -6.509 1.051 2.227 1.00 0.00 C ATOM 1046 O THR A 69 -5.768 1.381 1.276 1.00 0.00 O ATOM 1047 CB THR A 69 -8.971 1.750 2.361 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.358 0.404 2.666 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.158 1.997 0.859 1.00 0.00 C ATOM 0 H THR A 69 -6.706 3.530 1.586 1.00 0.00 H new ATOM 0 HA THR A 69 -7.475 1.935 3.924 1.00 0.00 H new ATOM 0 HB THR A 69 -9.611 2.444 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.027 0.162 3.556 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.187 1.774 0.579 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.938 3.040 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.481 1.353 0.297 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.503 -0.180 2.785 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.611 -1.271 2.342 1.00 0.00 C ATOM 1059 C LEU A 70 -5.928 -1.669 0.892 1.00 0.00 C ATOM 1060 O LEU A 70 -5.048 -2.121 0.151 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.756 -2.512 3.267 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.630 -3.592 3.121 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.353 -3.153 3.862 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.095 -4.997 3.568 1.00 0.00 C ATOM 0 H LEU A 70 -7.117 -0.444 3.555 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.584 -0.909 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.778 -2.172 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.718 -2.984 3.066 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.396 -3.672 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.585 -3.918 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.994 -2.213 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.575 -3.018 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.277 -5.707 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.395 -4.965 4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.942 -5.311 2.958 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.212 -1.488 0.522 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.698 -1.754 -0.822 1.00 0.00 C ATOM 1078 C GLY A 71 -7.071 -0.830 -1.845 1.00 0.00 C ATOM 1079 O GLY A 71 -6.730 -1.272 -2.936 1.00 0.00 O ATOM 0 H GLY A 71 -7.934 -1.151 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.482 -2.789 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.782 -1.639 -0.845 1.00 0.00 H new ATOM 1083 N SER A 72 -6.873 0.454 -1.463 1.00 0.00 N ATOM 1084 CA SER A 72 -6.222 1.449 -2.325 1.00 0.00 C ATOM 1085 C SER A 72 -4.812 0.967 -2.691 1.00 0.00 C ATOM 1086 O SER A 72 -4.487 0.882 -3.879 1.00 0.00 O ATOM 1087 CB SER A 72 -6.176 2.836 -1.642 1.00 0.00 C ATOM 1088 OG SER A 72 -7.475 3.323 -1.376 1.00 0.00 O ATOM 0 H SER A 72 -7.160 0.820 -0.555 1.00 0.00 H new ATOM 0 HA SER A 72 -6.806 1.559 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.614 2.766 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.645 3.541 -2.282 1.00 0.00 H new ATOM 0 HG SER A 72 -7.555 4.241 -1.710 1.00 0.00 H new ATOM 1094 N LEU A 73 -4.012 0.586 -1.663 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.649 0.035 -1.884 1.00 0.00 C ATOM 1096 C LEU A 73 -2.694 -1.208 -2.754 1.00 0.00 C ATOM 1097 O LEU A 73 -1.884 -1.333 -3.665 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.913 -0.339 -0.573 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.360 0.823 0.276 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.487 1.768 -0.579 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.493 1.553 0.991 1.00 0.00 C ATOM 0 H LEU A 73 -4.283 0.649 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.100 0.838 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.599 -0.915 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.083 -0.998 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.709 0.414 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.110 2.579 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.352 1.211 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.086 2.183 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.082 2.369 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.189 1.954 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.018 0.857 1.645 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.642 -2.115 -2.439 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.784 -3.389 -3.141 1.00 0.00 C ATOM 1115 C ALA A 74 -3.946 -3.148 -4.641 1.00 0.00 C ATOM 1116 O ALA A 74 -3.228 -3.749 -5.415 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.937 -4.228 -2.574 1.00 0.00 C ATOM 0 H ALA A 74 -4.324 -1.977 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.874 -3.967 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.008 -5.167 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.751 -4.437 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.872 -3.677 -2.675 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.811 -2.174 -5.018 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.066 -1.815 -6.438 1.00 0.00 C ATOM 1125 C LEU A 75 -3.819 -1.197 -7.098 1.00 0.00 C ATOM 1126 O LEU A 75 -3.500 -1.548 -8.243 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.291 -0.852 -6.591 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.693 -1.517 -6.748 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.723 -2.486 -7.952 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.140 -2.204 -5.453 1.00 0.00 C ATOM 0 H LEU A 75 -5.349 -1.618 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.305 -2.745 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.321 -0.199 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.117 -0.217 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.412 -0.724 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.714 -2.933 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.495 -1.938 -8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.981 -3.271 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.121 -2.656 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.421 -2.978 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.197 -1.468 -4.651 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.123 -0.277 -6.378 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.870 0.337 -6.874 1.00 0.00 C ATOM 1144 C PHE A 76 -0.868 -0.769 -7.255 1.00 0.00 C ATOM 1145 O PHE A 76 -0.463 -0.868 -8.411 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.243 1.320 -5.823 1.00 0.00 C ATOM 1147 CG PHE A 76 -1.788 2.756 -5.869 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.220 3.706 -6.720 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -2.857 3.158 -5.073 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -1.697 5.002 -6.758 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.334 4.455 -5.116 1.00 0.00 C ATOM 1152 CZ PHE A 76 -2.758 5.375 -5.962 1.00 0.00 C ATOM 0 H PHE A 76 -3.410 0.052 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.108 0.928 -7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.411 0.916 -4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.164 1.352 -5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.396 3.424 -7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.322 2.444 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.236 5.726 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.160 4.747 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.136 6.386 -6.002 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.577 -1.653 -6.286 1.00 0.00 N ATOM 1163 CA VAL A 77 0.440 -2.713 -6.411 1.00 0.00 C ATOM 1164 C VAL A 77 -0.022 -3.863 -7.334 1.00 0.00 C ATOM 1165 O VAL A 77 0.818 -4.571 -7.889 1.00 0.00 O ATOM 1166 CB VAL A 77 0.911 -3.241 -5.011 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.459 -2.086 -4.144 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.205 -3.987 -4.279 1.00 0.00 C ATOM 0 H VAL A 77 -1.048 -1.652 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 77 1.307 -2.257 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 77 1.717 -3.953 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.779 -2.476 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.308 -1.624 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.677 -1.342 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.163 -4.336 -3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.050 -3.316 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.524 -4.841 -4.876 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.364 -4.059 -7.484 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.913 -4.958 -8.529 1.00 0.00 C ATOM 1180 C GLU A 78 -1.370 -4.487 -9.884 1.00 0.00 C ATOM 1181 O GLU A 78 -0.686 -5.231 -10.594 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.487 -4.954 -8.609 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.277 -5.645 -7.472 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.960 -7.130 -7.251 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.639 -7.842 -8.222 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -4.054 -7.604 -6.097 1.00 0.00 O ATOM 0 H GLU A 78 -2.072 -3.612 -6.901 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.608 -5.973 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.815 -3.916 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.774 -5.426 -9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.085 -5.109 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.342 -5.547 -7.682 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.617 -3.191 -10.150 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.357 -2.564 -11.451 1.00 0.00 C ATOM 1195 C HIS A 79 0.153 -2.448 -11.738 1.00 0.00 C ATOM 1196 O HIS A 79 0.555 -2.570 -12.892 1.00 0.00 O ATOM 1197 CB HIS A 79 -2.071 -1.186 -11.523 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.577 -1.265 -11.347 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -4.387 -0.160 -11.258 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.412 -2.334 -11.214 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.637 -0.539 -11.078 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.676 -1.851 -11.046 1.00 0.00 N ATOM 0 H HIS A 79 -2.006 -2.548 -9.460 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.767 -3.203 -12.233 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.659 -0.533 -10.754 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.851 -0.723 -12.485 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.125 -3.375 -11.237 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.487 0.120 -10.974 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.515 -2.417 -10.917 1.00 0.00 H new ATOM 1211 N LYS A 80 0.971 -2.265 -10.676 1.00 0.00 N ATOM 1212 CA LYS A 80 2.449 -2.158 -10.795 1.00 0.00 C ATOM 1213 C LYS A 80 3.034 -3.414 -11.469 1.00 0.00 C ATOM 1214 O LYS A 80 3.709 -3.326 -12.498 1.00 0.00 O ATOM 1215 CB LYS A 80 3.128 -1.960 -9.402 1.00 0.00 C ATOM 1216 CG LYS A 80 2.650 -0.740 -8.587 1.00 0.00 C ATOM 1217 CD LYS A 80 2.851 0.601 -9.303 1.00 0.00 C ATOM 1218 CE LYS A 80 4.324 1.014 -9.407 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.466 2.313 -10.105 1.00 0.00 N ATOM 0 H LYS A 80 0.631 -2.187 -9.717 1.00 0.00 H new ATOM 0 HA LYS A 80 2.656 -1.282 -11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.961 -2.858 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.204 -1.873 -9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.592 -0.862 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.184 -0.718 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.426 0.538 -10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.299 1.376 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.756 1.085 -8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.883 0.247 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.325 2.794 -9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.536 2.151 -11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.636 2.907 -9.905 1.00 0.00 H new ATOM 1233 N LEU A 81 2.716 -4.584 -10.888 1.00 0.00 N ATOM 1234 CA LEU A 81 3.231 -5.889 -11.364 1.00 0.00 C ATOM 1235 C LEU A 81 2.432 -6.412 -12.579 1.00 0.00 C ATOM 1236 O LEU A 81 2.871 -7.355 -13.243 1.00 0.00 O ATOM 1237 CB LEU A 81 3.275 -6.951 -10.216 1.00 0.00 C ATOM 1238 CG LEU A 81 4.258 -6.669 -9.015 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.672 -6.267 -9.500 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.689 -5.627 -8.033 1.00 0.00 C ATOM 0 H LEU A 81 2.099 -4.657 -10.079 1.00 0.00 H new ATOM 0 HA LEU A 81 4.256 -5.722 -11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.268 -7.055 -9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.543 -7.912 -10.654 1.00 0.00 H new ATOM 0 HG LEU A 81 4.356 -7.609 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.314 -6.083 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.094 -7.073 -10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.606 -5.362 -10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.400 -5.465 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.517 -4.688 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.747 -5.990 -7.622 1.00 0.00 H new ATOM 1252 N SER A 82 1.257 -5.807 -12.857 1.00 0.00 N ATOM 1253 CA SER A 82 0.500 -6.081 -14.096 1.00 0.00 C ATOM 1254 C SER A 82 1.213 -5.454 -15.312 1.00 0.00 C ATOM 1255 O SER A 82 1.125 -5.980 -16.432 1.00 0.00 O ATOM 1256 CB SER A 82 -0.936 -5.532 -13.988 1.00 0.00 C ATOM 1257 OG SER A 82 -1.664 -6.165 -12.951 1.00 0.00 O ATOM 0 H SER A 82 0.813 -5.126 -12.240 1.00 0.00 H new ATOM 0 HA SER A 82 0.451 -7.161 -14.233 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.902 -4.458 -13.805 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.453 -5.677 -14.936 1.00 0.00 H new ATOM 0 HG SER A 82 -1.254 -5.952 -12.087 1.00 0.00 H new