USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 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 109 LYS NZ :NH3+ -169:sc= 2.31 (180deg=0.933) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.96 K(o=5.3,f=-4.8) USER MOD Set 2.1: A 92 GLN : amide:sc= 0.882 K(o=1.9,f=-2.2) USER MOD Set 2.2: A 95 CYS SG : rot 89:sc= 1 USER MOD Set 3.1: A 77 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 115 ASN : amide:sc= 0.587 X(o=0.59,f=0.25) USER MOD Set 4.1: A 55 SER OG : rot 180:sc= 0.0027 USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.96 K(o=0.96,f=-0.16) USER MOD Single : A 64 ASN : amide:sc= 0.399 X(o=0.4,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -113:sc= 1.28 (180deg=-0.865) USER MOD Single : A 66 GLN : amide:sc= 0.567 K(o=0.57,f=-5.2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.043 USER MOD Single : A 71 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.1) USER MOD Single : A 74 ASN : amide:sc= -0.0671 X(o=-0.067,f=-0.52) USER MOD Single : A 76 MET CE :methyl 163:sc= 0 (180deg=-0.239) USER MOD Single : A 79 HIS : no HD1:sc= -6.41 K(o=-6.4,f=-5.7) USER MOD Single : A 81 CYS SG : rot 52:sc= 0.436 USER MOD Single : A 83 MET CE :methyl 154:sc= -0.251 (180deg=-1.02) USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00373) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.0115 (180deg=-0.241) USER MOD Single : A 96 CYS SG : rot 5:sc= 0.00339 USER MOD Single : A 103 HIS : no HD1:sc=-0.00247 K(o=2.1,f=-10!) USER MOD Single : A 105 HIS : no HE2:sc= -5.18! C(o=-5.2!,f=-4.6!) USER MOD Single : A 106 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00766) USER MOD Single : A 108 LYS NZ :NH3+ 161:sc= 0.621 (180deg=-0.21) USER MOD Single : A 116 THR OG1 : rot -149:sc= 0.351 USER MOD Single : A 120 SER OG : rot 83:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.771 7.889 2.932 1.00 0.00 N ATOM 2 CA SER A 55 -12.608 7.338 1.585 1.00 0.00 C ATOM 3 C SER A 55 -12.691 5.844 1.621 1.00 0.00 C ATOM 4 O SER A 55 -12.919 5.242 2.668 1.00 0.00 O ATOM 5 CB SER A 55 -11.233 7.727 1.009 1.00 0.00 C ATOM 6 OG SER A 55 -11.235 7.592 -0.409 1.00 0.00 O ATOM 0 HA SER A 55 -13.404 7.743 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.994 8.755 1.283 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.458 7.093 1.440 1.00 0.00 H new ATOM 0 HG SER A 55 -10.356 7.844 -0.763 1.00 0.00 H new ATOM 14 N ASN A 56 -12.518 5.218 0.445 1.00 0.00 N ATOM 15 CA ASN A 56 -12.418 3.792 0.372 1.00 0.00 C ATOM 16 C ASN A 56 -11.439 3.495 -0.722 1.00 0.00 C ATOM 17 O ASN A 56 -11.393 2.394 -1.269 1.00 0.00 O ATOM 18 CB ASN A 56 -13.768 3.117 0.091 1.00 0.00 C ATOM 19 CG ASN A 56 -13.677 1.655 0.514 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.640 1.342 1.703 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.638 0.736 -0.484 1.00 0.00 N ATOM 0 H ASN A 56 -12.447 5.696 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.089 3.393 1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.564 3.621 0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.014 3.190 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.576 -0.257 -0.260 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.671 1.039 -1.458 1.00 0.00 H new ATOM 28 N THR A 57 -10.582 4.488 -1.026 1.00 0.00 N ATOM 29 CA THR A 57 -9.656 4.354 -2.109 1.00 0.00 C ATOM 30 C THR A 57 -8.310 4.755 -1.592 1.00 0.00 C ATOM 31 O THR A 57 -8.205 5.551 -0.660 1.00 0.00 O ATOM 32 CB THR A 57 -10.005 5.245 -3.314 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.891 6.620 -2.968 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.447 5.078 -3.800 1.00 0.00 C ATOM 0 H THR A 57 -10.530 5.376 -0.527 1.00 0.00 H new ATOM 0 HA THR A 57 -9.684 3.322 -2.459 1.00 0.00 H new ATOM 0 HB THR A 57 -9.307 4.939 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.115 7.173 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.623 5.736 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.612 4.043 -4.101 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.135 5.335 -2.994 1.00 0.00 H new ATOM 42 N ILE A 58 -7.248 4.173 -2.177 1.00 0.00 N ATOM 43 CA ILE A 58 -5.913 4.583 -1.850 1.00 0.00 C ATOM 44 C ILE A 58 -5.081 4.296 -3.055 1.00 0.00 C ATOM 45 O ILE A 58 -5.502 3.560 -3.948 1.00 0.00 O ATOM 46 CB ILE A 58 -5.290 3.861 -0.640 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.298 3.029 0.163 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.453 4.795 0.256 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.646 2.084 1.178 1.00 0.00 C ATOM 0 H ILE A 58 -7.309 3.426 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.948 5.636 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.591 3.144 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.974 3.703 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.905 2.444 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.042 4.227 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.638 5.225 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.086 5.595 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.420 1.529 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.991 1.386 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.062 2.664 1.892 1.00 0.00 H new ATOM 61 N ARG A 59 -3.872 4.885 -3.130 1.00 0.00 N ATOM 62 CA ARG A 59 -3.059 4.675 -4.283 1.00 0.00 C ATOM 63 C ARG A 59 -1.961 3.756 -3.886 1.00 0.00 C ATOM 64 O ARG A 59 -1.648 3.633 -2.710 1.00 0.00 O ATOM 65 CB ARG A 59 -2.433 5.974 -4.770 1.00 0.00 C ATOM 66 CG ARG A 59 -3.375 6.814 -5.632 1.00 0.00 C ATOM 67 CD ARG A 59 -4.438 7.582 -4.836 1.00 0.00 C ATOM 68 NE ARG A 59 -3.860 8.908 -4.465 1.00 0.00 N ATOM 69 CZ ARG A 59 -4.546 9.757 -3.650 1.00 0.00 C ATOM 70 NH1 ARG A 59 -5.715 9.387 -3.095 1.00 0.00 N ATOM 71 NH2 ARG A 59 -4.035 10.976 -3.358 1.00 0.00 N ATOM 0 H ARG A 59 -3.469 5.489 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.675 4.269 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.118 6.563 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.535 5.744 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.784 7.526 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.874 6.161 -6.347 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.341 7.712 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.723 7.026 -3.943 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.945 9.180 -4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.098 8.460 -3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.218 10.033 -2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.136 11.259 -3.748 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.549 11.612 -2.748 1.00 0.00 H new ATOM 85 N VAL A 60 -1.335 3.113 -4.888 1.00 0.00 N ATOM 86 CA VAL A 60 -0.234 2.236 -4.617 1.00 0.00 C ATOM 87 C VAL A 60 0.828 2.550 -5.616 1.00 0.00 C ATOM 88 O VAL A 60 0.653 2.331 -6.812 1.00 0.00 O ATOM 89 CB VAL A 60 -0.568 0.743 -4.720 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.520 -0.163 -4.129 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.918 0.380 -4.091 1.00 0.00 C ATOM 0 H VAL A 60 -1.585 3.197 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 60 0.071 2.405 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.626 0.561 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.221 -1.206 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.458 0.001 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.655 0.071 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.093 -0.690 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.909 0.642 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.713 0.930 -4.594 1.00 0.00 H new ATOM 101 N PHE A 61 1.973 3.048 -5.120 1.00 0.00 N ATOM 102 CA PHE A 61 3.042 3.453 -5.984 1.00 0.00 C ATOM 103 C PHE A 61 4.053 2.350 -5.966 1.00 0.00 C ATOM 104 O PHE A 61 4.275 1.708 -4.938 1.00 0.00 O ATOM 105 CB PHE A 61 3.723 4.737 -5.492 1.00 0.00 C ATOM 106 CG PHE A 61 2.916 5.902 -5.961 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.606 6.098 -5.506 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.478 6.886 -6.760 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.916 7.256 -5.803 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.801 8.069 -7.012 1.00 0.00 C ATOM 111 CZ PHE A 61 1.528 8.261 -6.519 1.00 0.00 C ATOM 0 H PHE A 61 2.161 3.171 -4.125 1.00 0.00 H new ATOM 0 HA PHE A 61 2.644 3.648 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.794 4.737 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.741 4.799 -5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.128 5.331 -4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.456 6.729 -7.191 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.106 7.374 -5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.273 8.844 -7.597 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.013 9.194 -6.693 1.00 0.00 H new ATOM 121 N LEU A 62 4.720 2.107 -7.114 1.00 0.00 N ATOM 122 CA LEU A 62 5.578 0.960 -7.200 1.00 0.00 C ATOM 123 C LEU A 62 6.970 1.406 -6.853 1.00 0.00 C ATOM 124 O LEU A 62 7.306 2.589 -6.920 1.00 0.00 O ATOM 125 CB LEU A 62 5.593 0.316 -8.595 1.00 0.00 C ATOM 126 CG LEU A 62 4.396 -0.603 -8.861 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.592 -2.024 -8.319 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.070 -0.041 -8.339 1.00 0.00 C ATOM 0 H LEU A 62 4.670 2.682 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 62 5.200 0.204 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.610 1.103 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.513 -0.257 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 62 4.342 -0.653 -9.948 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.709 -2.623 -8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.465 -2.476 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.742 -1.984 -7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.265 -0.742 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.136 0.106 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.864 0.913 -8.823 1.00 0.00 H new ATOM 140 N PRO A 63 7.797 0.387 -6.644 1.00 0.00 N ATOM 141 CA PRO A 63 9.155 0.831 -6.417 1.00 0.00 C ATOM 142 C PRO A 63 9.750 0.985 -7.799 1.00 0.00 C ATOM 143 O PRO A 63 10.907 1.376 -7.945 1.00 0.00 O ATOM 144 CB PRO A 63 9.832 -0.314 -5.700 1.00 0.00 C ATOM 145 CG PRO A 63 8.715 -1.159 -5.092 1.00 0.00 C ATOM 146 CD PRO A 63 7.418 -0.694 -5.753 1.00 0.00 C ATOM 0 HA PRO A 63 9.248 1.754 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.434 -0.904 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.505 0.055 -4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.886 -2.220 -5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.670 -1.025 -4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.945 -1.508 -6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.699 -0.353 -5.008 1.00 0.00 H new ATOM 154 N ASN A 64 8.947 0.728 -8.855 1.00 0.00 N ATOM 155 CA ASN A 64 9.369 1.011 -10.195 1.00 0.00 C ATOM 156 C ASN A 64 8.832 2.374 -10.547 1.00 0.00 C ATOM 157 O ASN A 64 8.733 2.726 -11.722 1.00 0.00 O ATOM 158 CB ASN A 64 8.829 -0.021 -11.204 1.00 0.00 C ATOM 159 CG ASN A 64 9.870 -0.220 -12.301 1.00 0.00 C ATOM 160 OD1 ASN A 64 10.618 -1.197 -12.297 1.00 0.00 O ATOM 161 ND2 ASN A 64 9.916 0.726 -13.276 1.00 0.00 N ATOM 0 H ASN A 64 8.012 0.327 -8.780 1.00 0.00 H new ATOM 0 HA ASN A 64 10.457 0.970 -10.246 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.622 -0.967 -10.703 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.889 0.326 -11.633 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.587 0.640 -14.039 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.279 1.522 -13.245 1.00 0.00 H new ATOM 168 N LYS A 65 8.399 3.136 -9.516 1.00 0.00 N ATOM 169 CA LYS A 65 8.023 4.511 -9.693 1.00 0.00 C ATOM 170 C LYS A 65 6.623 4.553 -10.222 1.00 0.00 C ATOM 171 O LYS A 65 6.089 5.625 -10.513 1.00 0.00 O ATOM 172 CB LYS A 65 8.945 5.341 -10.595 1.00 0.00 C ATOM 173 CG LYS A 65 10.433 5.127 -10.304 1.00 0.00 C ATOM 174 CD LYS A 65 10.893 5.742 -8.976 1.00 0.00 C ATOM 175 CE LYS A 65 11.080 4.716 -7.854 1.00 0.00 C ATOM 176 NZ LYS A 65 12.153 3.787 -8.196 1.00 0.00 N ATOM 0 H LYS A 65 8.310 2.797 -8.558 1.00 0.00 H new ATOM 0 HA LYS A 65 8.110 4.977 -8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.746 5.088 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.706 6.397 -10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.642 4.057 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.019 5.557 -11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.834 6.268 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.163 6.486 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.314 5.226 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.152 4.168 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.756 2.837 -8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.623 4.105 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.845 3.756 -7.421 1.00 0.00 H new ATOM 190 N GLN A 66 5.967 3.379 -10.309 1.00 0.00 N ATOM 191 CA GLN A 66 4.661 3.323 -10.899 1.00 0.00 C ATOM 192 C GLN A 66 3.658 3.672 -9.857 1.00 0.00 C ATOM 193 O GLN A 66 4.000 4.101 -8.761 1.00 0.00 O ATOM 194 CB GLN A 66 4.275 1.988 -11.555 1.00 0.00 C ATOM 195 CG GLN A 66 4.185 2.060 -13.082 1.00 0.00 C ATOM 196 CD GLN A 66 2.728 1.874 -13.483 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.292 0.771 -13.815 1.00 0.00 O ATOM 198 NE2 GLN A 66 1.938 2.976 -13.425 1.00 0.00 N ATOM 0 H GLN A 66 6.331 2.485 -9.979 1.00 0.00 H new ATOM 0 HA GLN A 66 4.679 4.038 -11.722 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.008 1.231 -11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.314 1.662 -11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.558 3.020 -13.440 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.806 1.288 -13.536 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.334 3.873 -13.146 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.948 2.907 -13.661 1.00 0.00 H new ATOM 207 N ARG A 67 2.374 3.563 -10.238 1.00 0.00 N ATOM 208 CA ARG A 67 1.319 4.019 -9.393 1.00 0.00 C ATOM 209 C ARG A 67 0.044 3.445 -9.917 1.00 0.00 C ATOM 210 O ARG A 67 -0.028 3.001 -11.063 1.00 0.00 O ATOM 211 CB ARG A 67 1.194 5.541 -9.359 1.00 0.00 C ATOM 212 CG ARG A 67 1.319 6.202 -10.734 1.00 0.00 C ATOM 213 CD ARG A 67 2.660 6.909 -10.945 1.00 0.00 C ATOM 214 NE ARG A 67 2.747 7.286 -12.387 1.00 0.00 N ATOM 215 CZ ARG A 67 3.930 7.691 -12.928 1.00 0.00 C ATOM 216 NH1 ARG A 67 5.092 7.525 -12.263 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.973 8.120 -14.210 1.00 0.00 N ATOM 0 H ARG A 67 2.069 3.162 -11.125 1.00 0.00 H new ATOM 0 HA ARG A 67 1.536 3.696 -8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.231 5.807 -8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.963 5.945 -8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.190 5.444 -11.507 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.512 6.924 -10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.730 7.794 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.486 6.254 -10.670 1.00 0.00 H new ATOM 0 HE ARG A 67 1.913 7.240 -12.973 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.094 7.090 -11.340 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.969 7.834 -12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.121 8.140 -14.770 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.858 8.424 -14.617 1.00 0.00 H new ATOM 231 N THR A 68 -0.997 3.473 -9.068 1.00 0.00 N ATOM 232 CA THR A 68 -2.276 2.940 -9.436 1.00 0.00 C ATOM 233 C THR A 68 -3.196 3.240 -8.296 1.00 0.00 C ATOM 234 O THR A 68 -2.742 3.592 -7.209 1.00 0.00 O ATOM 235 CB THR A 68 -2.265 1.422 -9.696 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.520 0.997 -10.212 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.896 0.574 -8.471 1.00 0.00 C ATOM 0 H THR A 68 -0.956 3.864 -8.127 1.00 0.00 H new ATOM 0 HA THR A 68 -2.590 3.396 -10.375 1.00 0.00 H new ATOM 0 HB THR A 68 -1.476 1.259 -10.430 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.497 0.031 -10.374 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.912 -0.482 -8.741 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.898 0.846 -8.128 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.616 0.755 -7.673 1.00 0.00 H new ATOM 245 N VAL A 69 -4.517 3.123 -8.528 1.00 0.00 N ATOM 246 CA VAL A 69 -5.457 3.325 -7.463 1.00 0.00 C ATOM 247 C VAL A 69 -6.050 1.994 -7.143 1.00 0.00 C ATOM 248 O VAL A 69 -6.195 1.137 -8.017 1.00 0.00 O ATOM 249 CB VAL A 69 -6.574 4.327 -7.789 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.181 4.140 -9.185 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.667 4.427 -6.706 1.00 0.00 C ATOM 0 H VAL A 69 -4.930 2.894 -9.432 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.921 3.759 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.062 5.289 -7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.963 4.883 -9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.404 4.264 -9.939 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.608 3.140 -9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.418 5.155 -7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.139 3.453 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.218 4.743 -5.764 1.00 0.00 H new ATOM 261 N VAL A 70 -6.381 1.791 -5.856 1.00 0.00 N ATOM 262 CA VAL A 70 -6.921 0.538 -5.428 1.00 0.00 C ATOM 263 C VAL A 70 -8.002 0.834 -4.438 1.00 0.00 C ATOM 264 O VAL A 70 -8.127 1.958 -3.950 1.00 0.00 O ATOM 265 CB VAL A 70 -5.874 -0.378 -4.779 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.736 -0.759 -5.730 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.247 0.196 -3.495 1.00 0.00 C ATOM 0 H VAL A 70 -6.276 2.487 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.296 0.006 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.451 -1.266 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.030 -1.407 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.144 -1.285 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.223 0.143 -6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.518 -0.511 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.751 1.139 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.028 0.366 -2.754 1.00 0.00 H new ATOM 277 N ASN A 71 -8.813 -0.194 -4.123 1.00 0.00 N ATOM 278 CA ASN A 71 -9.876 -0.028 -3.175 1.00 0.00 C ATOM 279 C ASN A 71 -9.694 -1.091 -2.140 1.00 0.00 C ATOM 280 O ASN A 71 -9.186 -2.173 -2.434 1.00 0.00 O ATOM 281 CB ASN A 71 -11.266 -0.251 -3.796 1.00 0.00 C ATOM 282 CG ASN A 71 -11.620 0.964 -4.644 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.424 1.804 -4.241 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.076 1.022 -5.889 1.00 0.00 N ATOM 0 H ASN A 71 -8.735 -1.131 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.834 0.989 -2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.267 -1.153 -4.408 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.011 -0.396 -3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.332 1.780 -6.522 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.412 0.308 -6.189 1.00 0.00 H new ATOM 291 N VAL A 72 -10.135 -0.810 -0.898 1.00 0.00 N ATOM 292 CA VAL A 72 -10.109 -1.815 0.124 1.00 0.00 C ATOM 293 C VAL A 72 -11.492 -2.394 0.197 1.00 0.00 C ATOM 294 O VAL A 72 -12.489 -1.678 0.121 1.00 0.00 O ATOM 295 CB VAL A 72 -9.658 -1.286 1.499 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.714 -0.449 2.226 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.170 -2.379 2.460 1.00 0.00 C ATOM 0 H VAL A 72 -10.503 0.095 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.368 -2.570 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.818 -0.643 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.317 -0.116 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.972 0.419 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.606 -1.053 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.871 -1.926 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.975 -3.092 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.318 -2.896 2.020 1.00 0.00 H new ATOM 307 N ARG A 73 -11.588 -3.737 0.270 1.00 0.00 N ATOM 308 CA ARG A 73 -12.871 -4.375 0.217 1.00 0.00 C ATOM 309 C ARG A 73 -13.353 -4.539 1.632 1.00 0.00 C ATOM 310 O ARG A 73 -13.122 -3.688 2.491 1.00 0.00 O ATOM 311 CB ARG A 73 -12.833 -5.733 -0.505 1.00 0.00 C ATOM 312 CG ARG A 73 -14.169 -6.129 -1.149 1.00 0.00 C ATOM 313 CD ARG A 73 -14.527 -5.301 -2.388 1.00 0.00 C ATOM 314 NE ARG A 73 -13.543 -5.642 -3.459 1.00 0.00 N ATOM 315 CZ ARG A 73 -13.495 -4.917 -4.610 1.00 0.00 C ATOM 316 NH1 ARG A 73 -14.257 -3.817 -4.765 1.00 0.00 N ATOM 317 NH2 ARG A 73 -12.636 -5.269 -5.592 1.00 0.00 N ATOM 0 H ARG A 73 -10.794 -4.371 0.364 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.553 -3.752 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.063 -5.703 -1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.541 -6.505 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.130 -7.182 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.964 -6.023 -0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.542 -5.523 -2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.491 -4.236 -2.160 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.902 -6.424 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.880 -3.518 -4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.211 -3.283 -5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.025 -6.077 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.599 -4.727 -6.455 1.00 0.00 H new ATOM 331 N ASN A 74 -14.025 -5.671 1.925 1.00 0.00 N ATOM 332 CA ASN A 74 -14.619 -5.854 3.218 1.00 0.00 C ATOM 333 C ASN A 74 -13.578 -6.441 4.118 1.00 0.00 C ATOM 334 O ASN A 74 -13.716 -7.550 4.630 1.00 0.00 O ATOM 335 CB ASN A 74 -15.783 -6.832 3.208 1.00 0.00 C ATOM 336 CG ASN A 74 -16.802 -6.358 2.182 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.814 -6.819 1.041 1.00 0.00 O ATOM 338 ND2 ASN A 74 -17.678 -5.399 2.585 1.00 0.00 N ATOM 0 H ASN A 74 -14.156 -6.449 1.278 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.987 -4.882 3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.434 -7.834 2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.239 -6.889 4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.375 -5.038 1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.638 -5.040 3.539 1.00 0.00 H new ATOM 345 N GLY A 75 -12.496 -5.681 4.319 1.00 0.00 N ATOM 346 CA GLY A 75 -11.520 -6.015 5.315 1.00 0.00 C ATOM 347 C GLY A 75 -10.302 -6.509 4.607 1.00 0.00 C ATOM 348 O GLY A 75 -9.682 -7.485 5.024 1.00 0.00 O ATOM 0 H GLY A 75 -12.290 -4.831 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.281 -5.143 5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.907 -6.779 5.989 1.00 0.00 H new ATOM 352 N MET A 76 -9.885 -5.805 3.534 1.00 0.00 N ATOM 353 CA MET A 76 -8.674 -6.169 2.866 1.00 0.00 C ATOM 354 C MET A 76 -7.533 -5.674 3.687 1.00 0.00 C ATOM 355 O MET A 76 -7.579 -4.589 4.267 1.00 0.00 O ATOM 356 CB MET A 76 -8.539 -5.607 1.450 1.00 0.00 C ATOM 357 CG MET A 76 -9.342 -6.399 0.419 1.00 0.00 C ATOM 358 SD MET A 76 -9.096 -5.682 -1.238 1.00 0.00 S ATOM 359 CE MET A 76 -9.705 -7.060 -2.259 1.00 0.00 C ATOM 0 H MET A 76 -10.375 -5.003 3.138 1.00 0.00 H new ATOM 0 HA MET A 76 -8.682 -7.254 2.761 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.871 -4.569 1.443 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.488 -5.607 1.163 1.00 0.00 H new ATOM 0 HG2 MET A 76 -9.028 -7.443 0.424 1.00 0.00 H new ATOM 0 HG3 MET A 76 -10.400 -6.383 0.679 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.914 -6.702 -3.267 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.948 -7.843 -2.302 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.619 -7.462 -1.821 1.00 0.00 H new ATOM 369 N SER A 77 -6.459 -6.473 3.711 1.00 0.00 N ATOM 370 CA SER A 77 -5.297 -6.133 4.473 1.00 0.00 C ATOM 371 C SER A 77 -4.237 -5.811 3.503 1.00 0.00 C ATOM 372 O SER A 77 -4.234 -6.411 2.452 1.00 0.00 O ATOM 373 CB SER A 77 -4.755 -7.348 5.195 1.00 0.00 C ATOM 374 OG SER A 77 -5.698 -7.815 6.150 1.00 0.00 O ATOM 0 H SER A 77 -6.391 -7.356 3.204 1.00 0.00 H new ATOM 0 HA SER A 77 -5.555 -5.334 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.533 -8.137 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.818 -7.096 5.692 1.00 0.00 H new ATOM 0 HG SER A 77 -5.336 -8.602 6.609 1.00 0.00 H new ATOM 380 N LEU A 78 -3.181 -5.132 3.992 1.00 0.00 N ATOM 381 CA LEU A 78 -2.117 -4.644 3.160 1.00 0.00 C ATOM 382 C LEU A 78 -1.724 -5.703 2.167 1.00 0.00 C ATOM 383 O LEU A 78 -1.784 -5.486 0.966 1.00 0.00 O ATOM 384 CB LEU A 78 -0.901 -4.295 4.014 1.00 0.00 C ATOM 385 CG LEU A 78 -0.699 -2.794 4.195 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.454 -2.070 2.917 1.00 0.00 C ATOM 387 CD2 LEU A 78 -1.954 -2.051 4.600 1.00 0.00 C ATOM 0 H LEU A 78 -3.062 -4.917 4.982 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.464 -3.753 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.009 -4.760 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.009 -4.721 3.555 1.00 0.00 H new ATOM 0 HG LEU A 78 0.115 -2.787 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.319 -1.008 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.444 -2.465 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.307 -2.207 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.729 -0.990 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.718 -2.183 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.319 -2.444 5.549 1.00 0.00 H new ATOM 399 N HIS A 79 -1.374 -6.904 2.656 1.00 0.00 N ATOM 400 CA HIS A 79 -0.816 -7.918 1.802 1.00 0.00 C ATOM 401 C HIS A 79 -1.866 -8.343 0.815 1.00 0.00 C ATOM 402 O HIS A 79 -1.623 -8.324 -0.377 1.00 0.00 O ATOM 403 CB HIS A 79 -0.324 -9.162 2.561 1.00 0.00 C ATOM 404 CG HIS A 79 1.155 -9.389 2.438 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.862 -9.050 1.315 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.046 -9.858 3.336 1.00 0.00 C ATOM 407 CE1 HIS A 79 3.147 -9.256 1.554 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.282 -9.789 2.756 1.00 0.00 N ATOM 0 H HIS A 79 -1.474 -7.177 3.634 1.00 0.00 H new ATOM 0 HA HIS A 79 0.054 -7.479 1.314 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.582 -9.061 3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.851 -10.039 2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.824 -10.221 4.329 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.955 -9.026 0.876 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.158 -10.096 3.178 1.00 0.00 H new ATOM 417 N ASP A 80 -3.091 -8.642 1.296 1.00 0.00 N ATOM 418 CA ASP A 80 -4.118 -9.169 0.436 1.00 0.00 C ATOM 419 C ASP A 80 -4.623 -8.050 -0.436 1.00 0.00 C ATOM 420 O ASP A 80 -5.191 -8.285 -1.499 1.00 0.00 O ATOM 421 CB ASP A 80 -5.317 -9.688 1.242 1.00 0.00 C ATOM 422 CG ASP A 80 -4.829 -10.803 2.155 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.179 -10.476 3.184 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.103 -11.988 1.835 1.00 0.00 O ATOM 0 H ASP A 80 -3.371 -8.521 2.269 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.690 -9.988 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.758 -8.882 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.094 -10.057 0.573 1.00 0.00 H new ATOM 429 N CYS A 81 -4.393 -6.800 0.002 1.00 0.00 N ATOM 430 CA CYS A 81 -4.991 -5.663 -0.633 1.00 0.00 C ATOM 431 C CYS A 81 -4.013 -5.150 -1.660 1.00 0.00 C ATOM 432 O CYS A 81 -4.388 -4.455 -2.603 1.00 0.00 O ATOM 433 CB CYS A 81 -5.265 -4.575 0.425 1.00 0.00 C ATOM 434 SG CYS A 81 -6.486 -3.379 -0.212 1.00 0.00 S ATOM 0 H CYS A 81 -3.793 -6.574 0.796 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.934 -5.931 -1.109 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.636 -5.033 1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.338 -4.061 0.678 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.533 -4.017 -0.646 1.00 0.00 H new ATOM 440 N LEU A 82 -2.729 -5.534 -1.515 1.00 0.00 N ATOM 441 CA LEU A 82 -1.693 -5.024 -2.371 1.00 0.00 C ATOM 442 C LEU A 82 -1.333 -6.099 -3.310 1.00 0.00 C ATOM 443 O LEU A 82 -1.030 -5.838 -4.464 1.00 0.00 O ATOM 444 CB LEU A 82 -0.413 -4.774 -1.584 1.00 0.00 C ATOM 445 CG LEU A 82 -0.455 -3.509 -0.737 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.540 -2.441 -1.197 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.832 -2.841 -0.693 1.00 0.00 C ATOM 0 H LEU A 82 -2.407 -6.195 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.054 -4.110 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.222 -5.629 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.424 -4.708 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.189 -3.873 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.459 -1.566 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.553 -2.840 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.318 -2.155 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.783 -1.947 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.135 -2.564 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.560 -3.535 -0.274 1.00 0.00 H new ATOM 459 N MET A 83 -1.285 -7.332 -2.780 1.00 0.00 N ATOM 460 CA MET A 83 -1.091 -8.508 -3.579 1.00 0.00 C ATOM 461 C MET A 83 -2.056 -8.454 -4.713 1.00 0.00 C ATOM 462 O MET A 83 -1.694 -8.833 -5.802 1.00 0.00 O ATOM 463 CB MET A 83 -1.448 -9.692 -2.685 1.00 0.00 C ATOM 464 CG MET A 83 -1.766 -10.981 -3.432 1.00 0.00 C ATOM 465 SD MET A 83 -0.246 -11.659 -4.172 1.00 0.00 S ATOM 466 CE MET A 83 0.656 -12.119 -2.659 1.00 0.00 C ATOM 0 H MET A 83 -1.382 -7.520 -1.782 1.00 0.00 H new ATOM 0 HA MET A 83 -0.073 -8.588 -3.961 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.618 -9.878 -2.004 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.308 -9.421 -2.073 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.204 -11.709 -2.749 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.505 -10.788 -4.210 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.351 -12.929 -2.882 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.210 -11.256 -2.289 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.053 -12.448 -1.899 1.00 0.00 H new ATOM 476 N LYS A 84 -3.230 -7.849 -4.465 1.00 0.00 N ATOM 477 CA LYS A 84 -4.233 -7.713 -5.465 1.00 0.00 C ATOM 478 C LYS A 84 -3.777 -6.674 -6.466 1.00 0.00 C ATOM 479 O LYS A 84 -3.971 -6.835 -7.667 1.00 0.00 O ATOM 480 CB LYS A 84 -5.480 -7.282 -4.706 1.00 0.00 C ATOM 481 CG LYS A 84 -6.416 -6.394 -5.504 1.00 0.00 C ATOM 482 CD LYS A 84 -6.074 -4.908 -5.409 1.00 0.00 C ATOM 483 CE LYS A 84 -6.304 -4.141 -6.713 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.728 -4.112 -7.033 1.00 0.00 N ATOM 0 H LYS A 84 -3.483 -7.451 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.428 -8.625 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.024 -8.171 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.177 -6.753 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.389 -6.699 -6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.437 -6.547 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.675 -4.455 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.030 -4.802 -5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.924 -3.124 -6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.750 -4.613 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.877 -3.560 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.071 -5.083 -7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.251 -3.672 -6.249 1.00 0.00 H new ATOM 498 N ALA A 85 -3.117 -5.600 -5.987 1.00 0.00 N ATOM 499 CA ALA A 85 -2.736 -4.508 -6.852 1.00 0.00 C ATOM 500 C ALA A 85 -1.610 -4.962 -7.731 1.00 0.00 C ATOM 501 O ALA A 85 -1.523 -4.558 -8.881 1.00 0.00 O ATOM 502 CB ALA A 85 -2.172 -3.405 -5.936 1.00 0.00 C ATOM 0 H ALA A 85 -2.847 -5.483 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.580 -4.169 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.867 -2.551 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.939 -3.093 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.310 -3.790 -5.391 1.00 0.00 H new ATOM 508 N LEU A 86 -0.702 -5.780 -7.175 1.00 0.00 N ATOM 509 CA LEU A 86 0.539 -6.090 -7.832 1.00 0.00 C ATOM 510 C LEU A 86 0.345 -7.356 -8.550 1.00 0.00 C ATOM 511 O LEU A 86 1.134 -7.714 -9.408 1.00 0.00 O ATOM 512 CB LEU A 86 1.561 -6.370 -6.759 1.00 0.00 C ATOM 513 CG LEU A 86 1.724 -5.188 -5.813 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.854 -5.591 -4.384 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.590 -4.075 -6.380 1.00 0.00 C ATOM 0 H LEU A 86 -0.822 -6.231 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 86 0.848 -5.280 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.261 -7.251 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.521 -6.600 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 86 0.779 -4.648 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.967 -4.702 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.962 -6.136 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.729 -6.230 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.663 -3.265 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.586 -4.462 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.142 -3.698 -7.300 1.00 0.00 H new ATOM 527 N LYS A 87 -0.693 -8.084 -8.138 1.00 0.00 N ATOM 528 CA LYS A 87 -1.118 -9.261 -8.843 1.00 0.00 C ATOM 529 C LYS A 87 -1.505 -8.836 -10.234 1.00 0.00 C ATOM 530 O LYS A 87 -1.252 -9.542 -11.209 1.00 0.00 O ATOM 531 CB LYS A 87 -2.323 -9.839 -8.096 1.00 0.00 C ATOM 532 CG LYS A 87 -3.570 -10.100 -8.937 1.00 0.00 C ATOM 533 CD LYS A 87 -3.483 -11.371 -9.784 1.00 0.00 C ATOM 534 CE LYS A 87 -4.847 -11.893 -10.247 1.00 0.00 C ATOM 535 NZ LYS A 87 -5.589 -12.432 -9.111 1.00 0.00 N ATOM 0 H LYS A 87 -1.249 -7.865 -7.312 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.336 -10.018 -8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.021 -10.777 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.589 -9.154 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.435 -10.172 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.740 -9.247 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.863 -11.173 -10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.982 -12.149 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.414 -11.087 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.712 -12.666 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.355 -13.046 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.947 -12.985 -8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.995 -11.650 -8.559 1.00 0.00 H new ATOM 549 N VAL A 88 -2.062 -7.618 -10.322 1.00 0.00 N ATOM 550 CA VAL A 88 -2.523 -7.063 -11.565 1.00 0.00 C ATOM 551 C VAL A 88 -1.312 -6.746 -12.401 1.00 0.00 C ATOM 552 O VAL A 88 -1.356 -6.793 -13.629 1.00 0.00 O ATOM 553 CB VAL A 88 -3.254 -5.740 -11.283 1.00 0.00 C ATOM 554 CG1 VAL A 88 -3.558 -4.904 -12.528 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.506 -5.902 -10.427 1.00 0.00 C ATOM 0 H VAL A 88 -2.197 -7.003 -9.519 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.188 -7.764 -12.069 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.525 -5.177 -10.699 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.074 -3.990 -12.235 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.626 -4.649 -13.032 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.191 -5.477 -13.205 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.968 -4.927 -10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.211 -6.560 -10.935 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.235 -6.334 -9.464 1.00 0.00 H new ATOM 565 N ARG A 89 -0.200 -6.415 -11.726 1.00 0.00 N ATOM 566 CA ARG A 89 0.956 -5.901 -12.397 1.00 0.00 C ATOM 567 C ARG A 89 1.842 -7.056 -12.737 1.00 0.00 C ATOM 568 O ARG A 89 2.431 -7.106 -13.815 1.00 0.00 O ATOM 569 CB ARG A 89 1.678 -4.968 -11.438 1.00 0.00 C ATOM 570 CG ARG A 89 0.747 -3.913 -10.850 1.00 0.00 C ATOM 571 CD ARG A 89 1.454 -2.605 -10.506 1.00 0.00 C ATOM 572 NE ARG A 89 1.277 -1.669 -11.656 1.00 0.00 N ATOM 573 CZ ARG A 89 0.073 -1.083 -11.902 1.00 0.00 C ATOM 574 NH1 ARG A 89 -0.998 -1.355 -11.131 1.00 0.00 N ATOM 575 NH2 ARG A 89 -0.058 -0.238 -12.947 1.00 0.00 N ATOM 0 H ARG A 89 -0.098 -6.502 -10.715 1.00 0.00 H new ATOM 0 HA ARG A 89 0.685 -5.362 -13.305 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.120 -5.551 -10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.498 -4.476 -11.961 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.054 -3.709 -11.561 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.280 -4.312 -9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.037 -2.174 -9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.513 -2.782 -10.318 1.00 0.00 H new ATOM 0 HE ARG A 89 2.069 -1.466 -12.266 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.913 -2.007 -10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.894 -0.909 -11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.743 -0.042 -13.547 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.958 0.204 -13.136 1.00 0.00 H new ATOM 589 N GLY A 90 1.975 -7.991 -11.783 1.00 0.00 N ATOM 590 CA GLY A 90 2.802 -9.148 -11.976 1.00 0.00 C ATOM 591 C GLY A 90 3.959 -9.030 -11.033 1.00 0.00 C ATOM 592 O GLY A 90 5.094 -9.341 -11.387 1.00 0.00 O ATOM 0 H GLY A 90 1.511 -7.950 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.238 -10.060 -11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.151 -9.204 -13.007 1.00 0.00 H new ATOM 596 N LEU A 91 3.684 -8.597 -9.787 1.00 0.00 N ATOM 597 CA LEU A 91 4.739 -8.377 -8.844 1.00 0.00 C ATOM 598 C LEU A 91 4.324 -8.997 -7.546 1.00 0.00 C ATOM 599 O LEU A 91 3.176 -9.406 -7.373 1.00 0.00 O ATOM 600 CB LEU A 91 4.983 -6.883 -8.610 1.00 0.00 C ATOM 601 CG LEU A 91 5.819 -6.232 -9.718 1.00 0.00 C ATOM 602 CD1 LEU A 91 5.017 -5.287 -10.628 1.00 0.00 C ATOM 603 CD2 LEU A 91 7.115 -5.596 -9.204 1.00 0.00 C ATOM 0 H LEU A 91 2.746 -8.402 -9.437 1.00 0.00 H new ATOM 0 HA LEU A 91 5.658 -8.815 -9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.024 -6.371 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.489 -6.748 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 91 6.122 -7.061 -10.357 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.677 -4.865 -11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.215 -5.843 -11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.590 -4.482 -10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.659 -5.153 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.876 -4.822 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.733 -6.360 -8.732 1.00 0.00 H new ATOM 615 N GLN A 92 5.264 -9.045 -6.579 1.00 0.00 N ATOM 616 CA GLN A 92 4.978 -9.637 -5.305 1.00 0.00 C ATOM 617 C GLN A 92 5.317 -8.614 -4.249 1.00 0.00 C ATOM 618 O GLN A 92 6.268 -7.844 -4.388 1.00 0.00 O ATOM 619 CB GLN A 92 5.770 -10.929 -5.044 1.00 0.00 C ATOM 620 CG GLN A 92 7.294 -10.747 -5.102 1.00 0.00 C ATOM 621 CD GLN A 92 7.943 -11.911 -4.359 1.00 0.00 C ATOM 622 OE1 GLN A 92 7.960 -11.943 -3.128 1.00 0.00 O ATOM 623 NE2 GLN A 92 8.506 -12.911 -5.102 1.00 0.00 N ATOM 0 H GLN A 92 6.211 -8.678 -6.678 1.00 0.00 H new ATOM 0 HA GLN A 92 3.925 -9.918 -5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.498 -11.319 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.475 -11.679 -5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.634 -10.720 -6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.581 -9.799 -4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.481 -12.865 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.951 -13.703 -4.638 1.00 0.00 H new ATOM 632 N PRO A 93 4.546 -8.687 -3.170 1.00 0.00 N ATOM 633 CA PRO A 93 4.850 -7.623 -2.233 1.00 0.00 C ATOM 634 C PRO A 93 5.517 -8.306 -1.065 1.00 0.00 C ATOM 635 O PRO A 93 5.936 -7.645 -0.115 1.00 0.00 O ATOM 636 CB PRO A 93 3.509 -7.116 -1.744 1.00 0.00 C ATOM 637 CG PRO A 93 2.476 -8.152 -2.163 1.00 0.00 C ATOM 638 CD PRO A 93 3.118 -8.931 -3.300 1.00 0.00 C ATOM 0 HA PRO A 93 5.461 -6.825 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.514 -6.989 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.280 -6.143 -2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.221 -8.810 -1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.551 -7.675 -2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.892 -9.995 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.747 -8.593 -4.268 1.00 0.00 H new ATOM 646 N GLU A 94 5.680 -9.644 -1.111 1.00 0.00 N ATOM 647 CA GLU A 94 6.096 -10.376 0.057 1.00 0.00 C ATOM 648 C GLU A 94 7.537 -10.049 0.349 1.00 0.00 C ATOM 649 O GLU A 94 8.016 -10.271 1.460 1.00 0.00 O ATOM 650 CB GLU A 94 5.992 -11.902 -0.091 1.00 0.00 C ATOM 651 CG GLU A 94 4.552 -12.431 -0.035 1.00 0.00 C ATOM 652 CD GLU A 94 4.049 -12.601 -1.461 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.052 -11.590 -2.211 1.00 0.00 O ATOM 654 OE2 GLU A 94 3.645 -13.741 -1.814 1.00 0.00 O ATOM 0 H GLU A 94 5.527 -10.215 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 94 5.422 -10.075 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.442 -12.198 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.574 -12.375 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.518 -13.382 0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.914 -11.737 0.512 1.00 0.00 H new ATOM 661 N CYS A 95 8.264 -9.496 -0.640 1.00 0.00 N ATOM 662 CA CYS A 95 9.675 -9.292 -0.472 1.00 0.00 C ATOM 663 C CYS A 95 9.923 -7.815 -0.405 1.00 0.00 C ATOM 664 O CYS A 95 11.013 -7.340 -0.726 1.00 0.00 O ATOM 665 CB CYS A 95 10.470 -9.828 -1.664 1.00 0.00 C ATOM 666 SG CYS A 95 10.556 -11.647 -1.575 1.00 0.00 S ATOM 0 H CYS A 95 7.887 -9.195 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 95 9.991 -9.814 0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.997 -9.522 -2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.475 -9.406 -1.663 1.00 0.00 H new ATOM 0 HG CYS A 95 9.526 -12.160 -2.180 1.00 0.00 H new ATOM 672 N CYS A 96 8.924 -7.038 0.052 1.00 0.00 N ATOM 673 CA CYS A 96 9.058 -5.611 0.028 1.00 0.00 C ATOM 674 C CYS A 96 8.471 -5.070 1.298 1.00 0.00 C ATOM 675 O CYS A 96 7.810 -5.784 2.053 1.00 0.00 O ATOM 676 CB CYS A 96 8.246 -4.995 -1.119 1.00 0.00 C ATOM 677 SG CYS A 96 9.044 -5.368 -2.714 1.00 0.00 S ATOM 0 H CYS A 96 8.043 -7.385 0.430 1.00 0.00 H new ATOM 0 HA CYS A 96 10.114 -5.368 -0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.230 -5.390 -1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.170 -3.916 -0.984 1.00 0.00 H new ATOM 0 HG CYS A 96 10.061 -6.153 -2.517 1.00 0.00 H new ATOM 683 N ALA A 97 8.691 -3.758 1.529 1.00 0.00 N ATOM 684 CA ALA A 97 8.030 -3.061 2.594 1.00 0.00 C ATOM 685 C ALA A 97 7.091 -2.100 1.950 1.00 0.00 C ATOM 686 O ALA A 97 7.441 -1.417 0.991 1.00 0.00 O ATOM 687 CB ALA A 97 8.915 -2.242 3.555 1.00 0.00 C ATOM 0 H ALA A 97 9.327 -3.181 0.978 1.00 0.00 H new ATOM 0 HA ALA A 97 7.576 -3.835 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.289 -1.767 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.633 -2.903 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.450 -1.476 2.993 1.00 0.00 H new ATOM 693 N VAL A 98 5.870 -2.011 2.497 1.00 0.00 N ATOM 694 CA VAL A 98 4.896 -1.097 1.984 1.00 0.00 C ATOM 695 C VAL A 98 4.799 0.036 2.957 1.00 0.00 C ATOM 696 O VAL A 98 5.081 -0.112 4.149 1.00 0.00 O ATOM 697 CB VAL A 98 3.522 -1.756 1.846 1.00 0.00 C ATOM 698 CG1 VAL A 98 3.138 -2.593 3.063 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.394 -0.778 1.510 1.00 0.00 C ATOM 0 H VAL A 98 5.555 -2.568 3.291 1.00 0.00 H new ATOM 0 HA VAL A 98 5.200 -0.760 0.993 1.00 0.00 H new ATOM 0 HB VAL A 98 3.638 -2.423 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.154 -3.034 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.872 -3.386 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.113 -1.958 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.453 -1.322 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.314 -0.030 2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.610 -0.285 0.563 1.00 0.00 H new ATOM 709 N PHE A 99 4.354 1.201 2.456 1.00 0.00 N ATOM 710 CA PHE A 99 4.369 2.396 3.239 1.00 0.00 C ATOM 711 C PHE A 99 3.213 3.223 2.796 1.00 0.00 C ATOM 712 O PHE A 99 2.670 3.032 1.708 1.00 0.00 O ATOM 713 CB PHE A 99 5.590 3.272 2.928 1.00 0.00 C ATOM 714 CG PHE A 99 6.792 2.618 3.511 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.481 1.642 2.790 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.355 3.062 4.697 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.783 1.328 3.104 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.633 2.703 5.043 1.00 0.00 C ATOM 719 CZ PHE A 99 9.378 1.928 4.190 1.00 0.00 C ATOM 0 H PHE A 99 3.985 1.316 1.512 1.00 0.00 H new ATOM 0 HA PHE A 99 4.360 2.105 4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.707 3.392 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.459 4.269 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.988 1.128 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.782 3.697 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.333 0.618 2.504 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.051 3.029 5.984 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.433 1.789 4.371 1.00 0.00 H new ATOM 729 N ARG A 100 2.882 4.233 3.614 1.00 0.00 N ATOM 730 CA ARG A 100 2.090 5.322 3.148 1.00 0.00 C ATOM 731 C ARG A 100 3.014 6.497 3.085 1.00 0.00 C ATOM 732 O ARG A 100 3.959 6.604 3.868 1.00 0.00 O ATOM 733 CB ARG A 100 0.864 5.531 4.026 1.00 0.00 C ATOM 734 CG ARG A 100 0.606 6.972 4.464 1.00 0.00 C ATOM 735 CD ARG A 100 -0.212 7.031 5.752 1.00 0.00 C ATOM 736 NE ARG A 100 -0.943 8.332 5.793 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.329 9.476 6.193 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.974 9.474 6.524 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.038 10.625 6.244 1.00 0.00 N ATOM 0 H ARG A 100 3.161 4.296 4.593 1.00 0.00 H new ATOM 0 HA ARG A 100 1.668 5.140 2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.013 5.171 3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.967 4.912 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.557 7.483 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.078 7.504 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.916 6.200 5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.441 6.937 6.620 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.924 8.363 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.511 8.608 6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.426 10.338 6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.024 10.628 5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.587 11.490 6.543 1.00 0.00 H new ATOM 753 N LEU A 101 2.803 7.370 2.091 1.00 0.00 N ATOM 754 CA LEU A 101 3.796 8.340 1.737 1.00 0.00 C ATOM 755 C LEU A 101 3.749 9.440 2.748 1.00 0.00 C ATOM 756 O LEU A 101 2.872 9.495 3.610 1.00 0.00 O ATOM 757 CB LEU A 101 3.511 8.975 0.366 1.00 0.00 C ATOM 758 CG LEU A 101 3.800 8.043 -0.811 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.903 6.815 -0.845 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.646 8.723 -2.177 1.00 0.00 C ATOM 0 H LEU A 101 1.951 7.409 1.532 1.00 0.00 H new ATOM 0 HA LEU A 101 4.763 7.839 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.466 9.282 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.113 9.878 0.261 1.00 0.00 H new ATOM 0 HG LEU A 101 4.837 7.753 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.163 6.198 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.041 6.238 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.862 7.127 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.866 8.005 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.624 9.086 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.339 9.562 -2.246 1.00 0.00 H new ATOM 772 N LEU A 102 4.709 10.374 2.628 1.00 0.00 N ATOM 773 CA LEU A 102 4.807 11.456 3.547 1.00 0.00 C ATOM 774 C LEU A 102 3.776 12.481 3.182 1.00 0.00 C ATOM 775 O LEU A 102 3.892 13.200 2.192 1.00 0.00 O ATOM 776 CB LEU A 102 6.213 12.053 3.623 1.00 0.00 C ATOM 777 CG LEU A 102 6.689 12.751 2.342 1.00 0.00 C ATOM 778 CD1 LEU A 102 8.151 13.194 2.422 1.00 0.00 C ATOM 779 CD2 LEU A 102 6.525 11.902 1.079 1.00 0.00 C ATOM 0 H LEU A 102 5.416 10.377 1.893 1.00 0.00 H new ATOM 0 HA LEU A 102 4.612 11.081 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.243 12.770 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.917 11.258 3.869 1.00 0.00 H new ATOM 0 HG LEU A 102 6.038 13.622 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.435 13.682 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.275 13.893 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.787 12.323 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.883 12.462 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.103 10.983 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.472 11.655 0.941 1.00 0.00 H new ATOM 791 N HIS A 103 2.697 12.540 3.982 1.00 0.00 N ATOM 792 CA HIS A 103 1.742 13.598 3.842 1.00 0.00 C ATOM 793 C HIS A 103 1.897 14.477 5.045 1.00 0.00 C ATOM 794 O HIS A 103 1.226 15.498 5.179 1.00 0.00 O ATOM 795 CB HIS A 103 0.296 13.087 3.745 1.00 0.00 C ATOM 796 CG HIS A 103 0.026 12.346 2.466 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.160 11.704 2.221 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.755 12.264 1.331 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.146 11.255 0.976 1.00 0.00 C ATOM 800 NE2 HIS A 103 0.006 11.579 0.414 1.00 0.00 N ATOM 0 H HIS A 103 2.486 11.865 4.717 1.00 0.00 H new ATOM 0 HA HIS A 103 1.931 14.135 2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.090 12.431 4.590 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.389 13.931 3.822 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.746 12.665 1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.947 10.712 0.496 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.288 11.356 -0.541 1.00 0.00 H new ATOM 809 N GLU A 104 2.841 14.105 5.935 1.00 0.00 N ATOM 810 CA GLU A 104 3.107 14.898 7.099 1.00 0.00 C ATOM 811 C GLU A 104 4.436 14.461 7.655 1.00 0.00 C ATOM 812 O GLU A 104 4.655 14.468 8.865 1.00 0.00 O ATOM 813 CB GLU A 104 2.016 14.874 8.178 1.00 0.00 C ATOM 814 CG GLU A 104 1.781 13.496 8.805 1.00 0.00 C ATOM 815 CD GLU A 104 1.193 12.573 7.746 1.00 0.00 C ATOM 816 OE1 GLU A 104 -0.015 12.720 7.419 1.00 0.00 O ATOM 817 OE2 GLU A 104 1.942 11.699 7.230 1.00 0.00 O ATOM 0 H GLU A 104 3.413 13.265 5.850 1.00 0.00 H new ATOM 0 HA GLU A 104 3.124 15.941 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.285 15.578 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.081 15.226 7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.718 13.088 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.103 13.578 9.654 1.00 0.00 H new ATOM 824 N HIS A 105 5.360 14.041 6.764 1.00 0.00 N ATOM 825 CA HIS A 105 6.701 13.743 7.187 1.00 0.00 C ATOM 826 C HIS A 105 7.615 14.395 6.201 1.00 0.00 C ATOM 827 O HIS A 105 7.168 14.959 5.204 1.00 0.00 O ATOM 828 CB HIS A 105 7.071 12.244 7.246 1.00 0.00 C ATOM 829 CG HIS A 105 5.887 11.326 7.198 1.00 0.00 C ATOM 830 ND1 HIS A 105 4.961 11.279 8.205 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.664 10.249 6.415 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.173 10.233 8.003 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.574 9.596 6.917 1.00 0.00 N ATOM 0 H HIS A 105 5.184 13.909 5.768 1.00 0.00 H new ATOM 0 HA HIS A 105 6.792 14.108 8.210 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.734 12.010 6.413 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.630 12.053 8.162 1.00 0.00 H new ATOM 0 HD1 HIS A 105 4.890 11.938 8.980 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.241 9.957 5.550 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.338 9.947 8.625 1.00 0.00 H new ATOM 842 N LYS A 106 8.935 14.302 6.449 1.00 0.00 N ATOM 843 CA LYS A 106 9.882 14.836 5.523 1.00 0.00 C ATOM 844 C LYS A 106 10.891 13.763 5.267 1.00 0.00 C ATOM 845 O LYS A 106 11.479 13.209 6.195 1.00 0.00 O ATOM 846 CB LYS A 106 10.600 16.048 6.116 1.00 0.00 C ATOM 847 CG LYS A 106 11.698 16.624 5.220 1.00 0.00 C ATOM 848 CD LYS A 106 11.160 17.452 4.048 1.00 0.00 C ATOM 849 CE LYS A 106 12.250 17.922 3.078 1.00 0.00 C ATOM 850 NZ LYS A 106 13.098 18.919 3.724 1.00 0.00 N ATOM 0 H LYS A 106 9.340 13.864 7.277 1.00 0.00 H new ATOM 0 HA LYS A 106 9.374 15.151 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.866 16.828 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.038 15.765 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.357 17.248 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.303 15.806 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.429 16.858 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.634 18.323 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.853 17.073 2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.794 18.346 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 13.813 19.257 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.514 19.720 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.572 18.492 4.545 1.00 0.00 H new ATOM 864 N GLY A 107 11.075 13.411 3.981 1.00 0.00 N ATOM 865 CA GLY A 107 12.148 12.532 3.609 1.00 0.00 C ATOM 866 C GLY A 107 11.589 11.151 3.460 1.00 0.00 C ATOM 867 O GLY A 107 11.645 10.564 2.381 1.00 0.00 O ATOM 0 H GLY A 107 10.492 13.728 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.603 12.861 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.931 12.546 4.367 1.00 0.00 H new ATOM 871 N LYS A 108 11.072 10.579 4.566 1.00 0.00 N ATOM 872 CA LYS A 108 10.804 9.179 4.596 1.00 0.00 C ATOM 873 C LYS A 108 9.350 8.978 4.310 1.00 0.00 C ATOM 874 O LYS A 108 8.704 9.773 3.631 1.00 0.00 O ATOM 875 CB LYS A 108 11.097 8.655 6.012 1.00 0.00 C ATOM 876 CG LYS A 108 12.110 7.510 6.049 1.00 0.00 C ATOM 877 CD LYS A 108 11.488 6.147 6.375 1.00 0.00 C ATOM 878 CE LYS A 108 11.243 5.920 7.871 1.00 0.00 C ATOM 879 NZ LYS A 108 10.082 6.686 8.316 1.00 0.00 N ATOM 0 H LYS A 108 10.844 11.080 5.425 1.00 0.00 H new ATOM 0 HA LYS A 108 11.418 8.655 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.469 9.477 6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.165 8.318 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.611 7.449 5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.875 7.737 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.541 6.054 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.143 5.360 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.083 4.859 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.124 6.218 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.731 6.295 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.354 7.680 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.333 6.630 7.597 1.00 0.00 H new ATOM 893 N LYS A 109 8.824 7.868 4.845 1.00 0.00 N ATOM 894 CA LYS A 109 7.483 7.459 4.591 1.00 0.00 C ATOM 895 C LYS A 109 6.995 6.839 5.858 1.00 0.00 C ATOM 896 O LYS A 109 7.782 6.530 6.754 1.00 0.00 O ATOM 897 CB LYS A 109 7.484 6.394 3.492 1.00 0.00 C ATOM 898 CG LYS A 109 7.507 6.953 2.073 1.00 0.00 C ATOM 899 CD LYS A 109 7.002 5.949 1.041 1.00 0.00 C ATOM 900 CE LYS A 109 7.917 4.733 0.892 1.00 0.00 C ATOM 901 NZ LYS A 109 9.117 5.101 0.145 1.00 0.00 N ATOM 0 H LYS A 109 9.339 7.243 5.465 1.00 0.00 H new ATOM 0 HA LYS A 109 6.859 8.296 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.351 5.748 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.599 5.768 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.893 7.853 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.525 7.249 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.005 5.614 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.907 6.446 0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.193 4.352 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.389 3.931 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.642 4.241 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.845 5.614 -0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.720 5.710 0.734 1.00 0.00 H new ATOM 915 N ALA A 110 5.669 6.646 5.961 1.00 0.00 N ATOM 916 CA ALA A 110 5.116 6.017 7.128 1.00 0.00 C ATOM 917 C ALA A 110 4.979 4.571 6.809 1.00 0.00 C ATOM 918 O ALA A 110 4.291 4.193 5.864 1.00 0.00 O ATOM 919 CB ALA A 110 3.766 6.509 7.647 1.00 0.00 C ATOM 0 H ALA A 110 4.987 6.918 5.253 1.00 0.00 H new ATOM 0 HA ALA A 110 5.808 6.266 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.485 5.936 8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.839 7.565 7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.009 6.377 6.874 1.00 0.00 H new ATOM 925 N ARG A 111 5.659 3.716 7.590 1.00 0.00 N ATOM 926 CA ARG A 111 5.770 2.349 7.219 1.00 0.00 C ATOM 927 C ARG A 111 4.653 1.630 7.880 1.00 0.00 C ATOM 928 O ARG A 111 4.203 2.005 8.961 1.00 0.00 O ATOM 929 CB ARG A 111 7.092 1.831 7.746 1.00 0.00 C ATOM 930 CG ARG A 111 7.441 0.430 7.267 1.00 0.00 C ATOM 931 CD ARG A 111 7.242 -0.614 8.360 1.00 0.00 C ATOM 932 NE ARG A 111 7.626 -1.944 7.799 1.00 0.00 N ATOM 933 CZ ARG A 111 8.936 -2.263 7.595 1.00 0.00 C ATOM 934 NH1 ARG A 111 9.921 -1.444 8.012 1.00 0.00 N ATOM 935 NH2 ARG A 111 9.264 -3.449 7.033 1.00 0.00 N ATOM 0 H ARG A 111 6.123 3.968 8.463 1.00 0.00 H new ATOM 0 HA ARG A 111 5.727 2.210 6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.885 2.515 7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.064 1.835 8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.822 0.176 6.407 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.478 0.410 6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.853 -0.376 9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.204 -0.625 8.693 1.00 0.00 H new ATOM 0 HE ARG A 111 6.900 -2.621 7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.692 -0.571 8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.896 -1.697 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.531 -4.105 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.244 -3.687 6.880 1.00 0.00 H new ATOM 949 N LEU A 112 4.189 0.562 7.220 1.00 0.00 N ATOM 950 CA LEU A 112 2.949 -0.040 7.596 1.00 0.00 C ATOM 951 C LEU A 112 3.197 -1.485 7.833 1.00 0.00 C ATOM 952 O LEU A 112 4.331 -1.960 7.790 1.00 0.00 O ATOM 953 CB LEU A 112 1.906 0.067 6.487 1.00 0.00 C ATOM 954 CG LEU A 112 1.504 1.504 6.171 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.692 1.628 4.883 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.835 2.226 7.347 1.00 0.00 C ATOM 0 H LEU A 112 4.663 0.117 6.434 1.00 0.00 H new ATOM 0 HA LEU A 112 2.574 0.473 8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.298 -0.400 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.019 -0.495 6.777 1.00 0.00 H new ATOM 0 HG LEU A 112 2.445 2.025 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.437 2.674 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.281 1.258 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.222 1.041 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.576 3.242 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.070 1.691 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.522 2.259 8.192 1.00 0.00 H new ATOM 968 N ASP A 113 2.094 -2.222 8.045 1.00 0.00 N ATOM 969 CA ASP A 113 2.178 -3.621 8.340 1.00 0.00 C ATOM 970 C ASP A 113 1.661 -4.361 7.152 1.00 0.00 C ATOM 971 O ASP A 113 0.803 -3.906 6.425 1.00 0.00 O ATOM 972 CB ASP A 113 1.380 -4.030 9.587 1.00 0.00 C ATOM 973 CG ASP A 113 1.807 -5.432 9.996 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.930 -5.570 10.545 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.042 -6.387 9.698 1.00 0.00 O ATOM 0 H ASP A 113 1.144 -1.852 8.013 1.00 0.00 H new ATOM 0 HA ASP A 113 3.219 -3.863 8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.561 -3.327 10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.311 -4.006 9.377 1.00 0.00 H new ATOM 980 N TRP A 114 2.141 -5.602 6.949 1.00 0.00 N ATOM 981 CA TRP A 114 1.715 -6.374 5.830 1.00 0.00 C ATOM 982 C TRP A 114 0.338 -6.917 6.116 1.00 0.00 C ATOM 983 O TRP A 114 -0.297 -7.512 5.251 1.00 0.00 O ATOM 984 CB TRP A 114 2.722 -7.509 5.539 1.00 0.00 C ATOM 985 CG TRP A 114 3.629 -7.223 4.363 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.971 -7.394 4.184 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.152 -6.561 3.197 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.357 -6.841 2.971 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.240 -6.298 2.363 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.885 -6.203 2.913 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.988 -5.617 1.180 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.650 -5.532 1.742 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.670 -5.297 0.852 1.00 0.00 C ATOM 0 H TRP A 114 2.818 -6.065 7.556 1.00 0.00 H new ATOM 0 HA TRP A 114 1.673 -5.748 4.939 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.333 -7.679 6.426 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.173 -8.431 5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.633 -7.886 4.881 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.304 -6.836 2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.077 -6.438 3.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.799 -5.339 0.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.653 -5.184 1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.450 -4.860 -0.111 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.222 -6.576 7.291 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.586 -6.908 7.575 1.00 0.00 C ATOM 1006 C ASN A 115 -2.300 -5.623 7.841 1.00 0.00 C ATOM 1007 O ASN A 115 -3.305 -5.592 8.554 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.679 -7.710 8.877 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.780 -8.748 8.729 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.512 -9.936 8.548 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -4.046 -8.287 8.825 1.00 0.00 N ATOM 0 H ASN A 115 0.262 -6.076 8.037 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.001 -7.478 6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.727 -8.196 9.091 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.894 -7.047 9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.831 -8.933 8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.217 -7.293 8.975 1.00 0.00 H new ATOM 1018 N THR A 116 -1.787 -4.500 7.295 1.00 0.00 N ATOM 1019 CA THR A 116 -2.202 -3.224 7.793 1.00 0.00 C ATOM 1020 C THR A 116 -3.624 -2.963 7.354 1.00 0.00 C ATOM 1021 O THR A 116 -4.095 -3.468 6.332 1.00 0.00 O ATOM 1022 CB THR A 116 -1.217 -2.039 7.666 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.602 -1.779 8.920 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.859 -0.677 7.376 1.00 0.00 C ATOM 0 H THR A 116 -1.108 -4.475 6.534 1.00 0.00 H new ATOM 0 HA THR A 116 -2.181 -3.296 8.880 1.00 0.00 H new ATOM 0 HB THR A 116 -0.564 -2.358 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.397 -0.823 8.992 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.082 0.084 7.306 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.405 -0.725 6.434 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.547 -0.420 8.181 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.346 -2.182 8.172 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.684 -1.766 7.857 1.00 0.00 C ATOM 1034 C ASP A 117 -5.572 -0.649 6.865 1.00 0.00 C ATOM 1035 O ASP A 117 -5.507 0.511 7.256 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.382 -1.243 9.129 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.840 -0.960 8.809 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.562 -1.925 8.446 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.243 0.230 8.913 1.00 0.00 O ATOM 0 H ASP A 117 -4.001 -1.831 9.066 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.264 -2.598 7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.308 -1.979 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.891 -0.337 9.483 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.674 -1.006 5.566 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.559 -0.056 4.483 1.00 0.00 C ATOM 1046 C ALA A 118 -6.702 0.908 4.583 1.00 0.00 C ATOM 1047 O ALA A 118 -6.619 2.036 4.104 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.794 -0.925 3.226 1.00 0.00 C ATOM 0 H ALA A 118 -5.838 -1.965 5.259 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.616 0.490 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.729 -0.301 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.036 -1.707 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.783 -1.381 3.278 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.754 0.511 5.323 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.930 1.319 5.465 1.00 0.00 C ATOM 1056 C ALA A 119 -8.638 2.414 6.456 1.00 0.00 C ATOM 1057 O ALA A 119 -9.464 3.293 6.683 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.780 0.239 6.161 1.00 0.00 C ATOM 0 H ALA A 119 -7.791 -0.375 5.827 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.338 1.793 4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.770 0.640 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.876 -0.627 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.296 -0.062 7.091 1.00 0.00 H new ATOM 1064 N SER A 120 -7.416 2.422 7.029 1.00 0.00 N ATOM 1065 CA SER A 120 -7.038 3.472 7.933 1.00 0.00 C ATOM 1066 C SER A 120 -6.087 4.376 7.199 1.00 0.00 C ATOM 1067 O SER A 120 -5.804 5.487 7.640 1.00 0.00 O ATOM 1068 CB SER A 120 -6.342 2.963 9.201 1.00 0.00 C ATOM 1069 OG SER A 120 -7.270 2.275 10.030 1.00 0.00 O ATOM 0 H SER A 120 -6.699 1.714 6.870 1.00 0.00 H new ATOM 0 HA SER A 120 -7.947 3.982 8.254 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.522 2.298 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.907 3.800 9.747 1.00 0.00 H new ATOM 0 HG SER A 120 -7.364 1.350 9.719 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.568 3.897 6.049 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.701 4.696 5.225 1.00 0.00 C ATOM 1077 C LEU A 121 -5.531 5.166 4.097 1.00 0.00 C ATOM 1078 O LEU A 121 -5.025 5.652 3.088 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.561 3.860 4.632 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.721 3.152 5.694 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.600 3.968 6.986 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.305 1.802 6.097 1.00 0.00 C ATOM 0 H LEU A 121 -5.747 2.960 5.689 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.268 5.501 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.979 3.117 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.915 4.507 4.038 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.746 3.026 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.994 3.420 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.128 4.926 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.593 4.139 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.669 1.342 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.307 1.945 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.357 1.153 5.223 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.845 5.013 4.285 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.791 5.232 3.232 1.00 0.00 C ATOM 1096 C ILE A 122 -7.824 6.698 2.938 1.00 0.00 C ATOM 1097 O ILE A 122 -7.818 7.540 3.836 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.187 4.701 3.585 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.898 3.981 2.434 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.141 5.733 4.214 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.255 2.653 2.019 1.00 0.00 C ATOM 0 H ILE A 122 -7.263 4.735 5.173 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.479 4.678 2.347 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.953 3.966 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.932 3.794 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.924 4.643 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.100 5.260 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.709 6.110 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.290 6.561 3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.824 2.214 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.230 2.831 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.254 1.968 2.867 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.805 7.014 1.634 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.886 8.377 1.186 1.00 0.00 C ATOM 1115 C GLY A 123 -6.503 8.958 1.223 1.00 0.00 C ATOM 1116 O GLY A 123 -6.328 10.144 1.492 1.00 0.00 O ATOM 0 H GLY A 123 -7.733 6.327 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.292 8.423 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.558 8.950 1.826 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.479 8.130 0.929 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.126 8.599 0.997 1.00 0.00 C ATOM 1122 C GLU A 124 -3.396 8.023 -0.179 1.00 0.00 C ATOM 1123 O GLU A 124 -3.998 7.504 -1.119 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.389 8.116 2.255 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.127 8.423 3.564 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.654 9.777 4.083 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.380 10.685 3.251 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.413 9.892 5.316 1.00 0.00 O ATOM 0 H GLU A 124 -5.584 7.155 0.650 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.150 9.689 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.232 7.040 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.403 8.580 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.204 8.437 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.929 7.645 4.301 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.052 8.052 -0.109 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.241 7.413 -1.103 1.00 0.00 C ATOM 1137 C GLU A 125 -0.430 6.382 -0.399 1.00 0.00 C ATOM 1138 O GLU A 125 0.006 6.596 0.734 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.257 8.370 -1.792 1.00 0.00 C ATOM 1140 CG GLU A 125 -0.874 9.114 -2.978 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.661 10.613 -2.791 1.00 0.00 C ATOM 1142 OE1 GLU A 125 0.294 11.007 -2.064 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -1.488 11.390 -3.346 1.00 0.00 O ATOM 0 H GLU A 125 -1.527 8.516 0.633 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.903 7.011 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.105 9.096 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.609 7.805 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.416 8.782 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.939 8.891 -3.049 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.167 5.254 -1.087 1.00 0.00 N ATOM 1151 CA LEU A 126 0.716 4.266 -0.547 1.00 0.00 C ATOM 1152 C LEU A 126 1.805 4.031 -1.535 1.00 0.00 C ATOM 1153 O LEU A 126 1.671 4.323 -2.721 1.00 0.00 O ATOM 1154 CB LEU A 126 0.057 2.918 -0.245 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.563 2.852 1.150 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -2.003 3.339 1.198 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.307 1.523 1.860 1.00 0.00 C ATOM 0 H LEU A 126 -0.558 5.029 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 126 1.073 4.659 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.716 2.724 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.800 2.127 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.023 3.583 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.379 3.264 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.047 4.378 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.617 2.725 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.773 1.541 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.731 0.709 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.767 1.370 1.970 1.00 0.00 H new ATOM 1169 N GLN A 127 2.924 3.482 -1.035 1.00 0.00 N ATOM 1170 CA GLN A 127 4.043 3.179 -1.875 1.00 0.00 C ATOM 1171 C GLN A 127 4.614 1.901 -1.367 1.00 0.00 C ATOM 1172 O GLN A 127 4.457 1.562 -0.197 1.00 0.00 O ATOM 1173 CB GLN A 127 5.160 4.239 -1.809 1.00 0.00 C ATOM 1174 CG GLN A 127 6.087 4.249 -3.034 1.00 0.00 C ATOM 1175 CD GLN A 127 7.510 4.532 -2.564 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.849 5.663 -2.213 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.382 3.492 -2.594 1.00 0.00 N ATOM 0 H GLN A 127 3.056 3.247 -0.051 1.00 0.00 H new ATOM 0 HA GLN A 127 3.696 3.135 -2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.706 5.224 -1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.759 4.065 -0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.043 3.290 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.765 5.009 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.065 2.569 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.354 3.634 -2.320 1.00 0.00 H new ATOM 1186 N VAL A 128 5.283 1.147 -2.252 1.00 0.00 N ATOM 1187 CA VAL A 128 5.980 -0.026 -1.820 1.00 0.00 C ATOM 1188 C VAL A 128 7.426 0.210 -2.110 1.00 0.00 C ATOM 1189 O VAL A 128 7.771 0.914 -3.057 1.00 0.00 O ATOM 1190 CB VAL A 128 5.486 -1.315 -2.497 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.438 -2.505 -2.335 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.143 -1.809 -1.941 1.00 0.00 C ATOM 0 H VAL A 128 5.343 1.342 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 128 5.799 -0.184 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 128 5.408 -1.016 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.020 -3.376 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.405 -2.260 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.567 -2.726 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.848 -2.722 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.244 -2.013 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.382 -1.043 -2.093 1.00 0.00 H new ATOM 1202 N ASP A 129 8.303 -0.317 -1.238 1.00 0.00 N ATOM 1203 CA ASP A 129 9.707 -0.067 -1.372 1.00 0.00 C ATOM 1204 C ASP A 129 10.402 -1.364 -1.109 1.00 0.00 C ATOM 1205 O ASP A 129 9.784 -2.423 -1.086 1.00 0.00 O ATOM 1206 CB ASP A 129 10.186 0.966 -0.331 1.00 0.00 C ATOM 1207 CG ASP A 129 11.094 1.965 -1.028 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.187 1.541 -1.490 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.704 3.164 -1.092 1.00 0.00 O ATOM 0 H ASP A 129 8.046 -0.910 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 129 9.923 0.325 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.333 1.477 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.720 0.469 0.478 1.00 0.00 H new ATOM 1214 N PHE A 130 11.724 -1.305 -0.853 1.00 0.00 N ATOM 1215 CA PHE A 130 12.448 -2.489 -0.494 1.00 0.00 C ATOM 1216 C PHE A 130 12.112 -2.799 0.938 1.00 0.00 C ATOM 1217 O PHE A 130 11.359 -2.072 1.582 1.00 0.00 O ATOM 1218 CB PHE A 130 13.967 -2.298 -0.611 1.00 0.00 C ATOM 1219 CG PHE A 130 14.290 -2.091 -2.054 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.486 -3.166 -2.908 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.401 -0.800 -2.584 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.762 -2.967 -4.250 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.672 -0.604 -3.926 1.00 0.00 C ATOM 1224 CZ PHE A 130 14.852 -1.690 -4.762 1.00 0.00 C ATOM 0 H PHE A 130 12.284 -0.453 -0.893 1.00 0.00 H new ATOM 0 HA PHE A 130 12.166 -3.295 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.291 -1.441 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.493 -3.170 -0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.422 -4.172 -2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.273 0.055 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 130 14.908 -3.817 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.743 0.399 -4.321 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.062 -1.539 -5.811 1.00 0.00 H new ATOM 1234 N LEU A 131 12.657 -3.915 1.459 1.00 0.00 N ATOM 1235 CA LEU A 131 12.363 -4.319 2.803 1.00 0.00 C ATOM 1236 C LEU A 131 13.170 -3.455 3.732 1.00 0.00 C ATOM 1237 O LEU A 131 13.105 -2.228 3.707 1.00 0.00 O ATOM 1238 CB LEU A 131 12.718 -5.791 3.061 1.00 0.00 C ATOM 1239 CG LEU A 131 11.739 -6.785 2.434 1.00 0.00 C ATOM 1240 CD1 LEU A 131 12.398 -8.133 2.123 1.00 0.00 C ATOM 1241 CD2 LEU A 131 10.501 -7.037 3.300 1.00 0.00 C ATOM 0 H LEU A 131 13.295 -4.533 0.957 1.00 0.00 H new ATOM 0 HA LEU A 131 11.292 -4.207 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 131 13.717 -5.987 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 131 12.755 -5.962 4.137 1.00 0.00 H new ATOM 0 HG LEU A 131 11.424 -6.310 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 131 11.662 -8.804 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 131 13.221 -7.983 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 131 12.781 -8.572 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 131 9.846 -7.751 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 131 10.808 -7.441 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.967 -6.099 3.452 1.00 0.00 H new ATOM 1253 N ASP A 132 13.937 -4.094 4.630 1.00 0.00 N ATOM 1254 CA ASP A 132 14.659 -3.370 5.636 1.00 0.00 C ATOM 1255 C ASP A 132 16.122 -3.837 5.572 1.00 0.00 C ATOM 1256 O ASP A 132 16.350 -5.074 5.657 1.00 0.00 O ATOM 1257 CB ASP A 132 14.134 -3.645 7.053 1.00 0.00 C ATOM 1258 CG ASP A 132 12.673 -3.217 7.114 1.00 0.00 C ATOM 1259 OD1 ASP A 132 11.786 -4.029 6.730 1.00 0.00 O ATOM 1260 OD2 ASP A 132 12.401 -2.087 7.602 1.00 0.00 O ATOM 1261 OXT ASP A 132 17.019 -2.959 5.472 1.00 0.00 O ATOM 0 H ASP A 132 14.060 -5.106 4.663 1.00 0.00 H new ATOM 0 HA ASP A 132 14.544 -2.304 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 132 14.230 -4.704 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 132 14.721 -3.096 7.789 1.00 0.00 H new TER 1266 ASP A 132