USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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+ 157:sc= 2.16 (180deg=0.258) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.87 K(o=5,f=-18!) USER MOD Set 2.1: A 71 ASN : amide:sc= 0.773 K(o=2.4,f=-8.8!) USER MOD Set 2.2: A 84 LYS NZ :NH3+ 175:sc= 1.65 (180deg=0.486) USER MOD Set 3.1: A 77 SER OG : rot 123:sc= 1.23 USER MOD Set 3.2: A 115 ASN : amide:sc= 0.375 X(o=1.6,f=1.1) USER MOD Set 4.1: A 55 SER OG : rot 164:sc= 0.181 USER MOD Set 4.2: A 57 THR OG1 : rot -45:sc= 1.11 USER MOD Single : A 56 ASN : amide:sc= 0.824 K(o=0.82,f=-1.1) USER MOD Single : A 64 ASN : amide:sc= -0.67 K(o=-0.67,f=-2.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.259 K(o=0.26,f=-2.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 79 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-11!) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.309 USER MOD Single : A 83 MET CE :methyl 153:sc= -0.21 (180deg=-0.972) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN :FLIP amide:sc=-0.000589 F(o=-0.61,f=-0.00059) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 110:sc= 0.557 USER MOD Single : A 103 HIS : +bothHN:sc= 1.65 K(o=1.7,f=-13!) USER MOD Single : A 105 HIS : no HE2:sc= -4.69! C(o=-4.7!,f=-4.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.587 USER MOD Single : A 120 SER OG : rot -30:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.604 7.898 2.892 1.00 0.00 N ATOM 2 CA SER A 55 -12.434 7.313 1.560 1.00 0.00 C ATOM 3 C SER A 55 -12.565 5.824 1.627 1.00 0.00 C ATOM 4 O SER A 55 -12.815 5.250 2.685 1.00 0.00 O ATOM 5 CB SER A 55 -11.034 7.636 1.007 1.00 0.00 C ATOM 6 OG SER A 55 -11.016 7.492 -0.410 1.00 0.00 O ATOM 0 HA SER A 55 -13.203 7.733 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.754 8.654 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.296 6.971 1.456 1.00 0.00 H new ATOM 0 HG SER A 55 -10.222 7.937 -0.774 1.00 0.00 H new ATOM 14 N ASN A 56 -12.404 5.172 0.463 1.00 0.00 N ATOM 15 CA ASN A 56 -12.335 3.743 0.419 1.00 0.00 C ATOM 16 C ASN A 56 -11.421 3.405 -0.717 1.00 0.00 C ATOM 17 O ASN A 56 -11.521 2.345 -1.333 1.00 0.00 O ATOM 18 CB ASN A 56 -13.708 3.082 0.230 1.00 0.00 C ATOM 19 CG ASN A 56 -13.595 1.612 0.619 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.068 1.275 1.679 1.00 0.00 O ATOM 21 ND2 ASN A 56 -14.088 0.709 -0.266 1.00 0.00 N ATOM 0 H ASN A 56 -12.322 5.630 -0.445 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.964 3.361 1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.456 3.580 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.034 3.176 -0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.029 -0.289 -0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.518 1.028 -1.134 1.00 0.00 H new ATOM 28 N THR A 57 -10.481 4.326 -1.005 1.00 0.00 N ATOM 29 CA THR A 57 -9.595 4.146 -2.116 1.00 0.00 C ATOM 30 C THR A 57 -8.234 4.576 -1.666 1.00 0.00 C ATOM 31 O THR A 57 -8.083 5.582 -0.970 1.00 0.00 O ATOM 32 CB THR A 57 -9.998 4.965 -3.355 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.900 6.360 -3.085 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.447 4.725 -3.796 1.00 0.00 C ATOM 0 H THR A 57 -10.335 5.186 -0.476 1.00 0.00 H new ATOM 0 HA THR A 57 -9.627 3.099 -2.417 1.00 0.00 H new ATOM 0 HB THR A 57 -9.315 4.642 -4.141 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.296 6.552 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.665 5.333 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.583 3.672 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.124 5.000 -2.987 1.00 0.00 H new ATOM 42 N ILE A 58 -7.202 3.806 -2.054 1.00 0.00 N ATOM 43 CA ILE A 58 -5.853 4.187 -1.753 1.00 0.00 C ATOM 44 C ILE A 58 -5.050 3.894 -2.974 1.00 0.00 C ATOM 45 O ILE A 58 -5.407 3.031 -3.775 1.00 0.00 O ATOM 46 CB ILE A 58 -5.230 3.446 -0.558 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.266 2.749 0.330 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.248 4.320 0.257 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.646 1.852 1.406 1.00 0.00 C ATOM 0 H ILE A 58 -7.296 2.931 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.856 5.240 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.630 2.651 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.887 3.505 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.925 2.148 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.844 3.738 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.433 4.649 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.774 5.191 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.438 1.391 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.048 1.074 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.010 2.451 2.057 1.00 0.00 H new ATOM 61 N ARG A 59 -3.939 4.628 -3.164 1.00 0.00 N ATOM 62 CA ARG A 59 -3.150 4.426 -4.337 1.00 0.00 C ATOM 63 C ARG A 59 -1.957 3.644 -3.929 1.00 0.00 C ATOM 64 O ARG A 59 -1.607 3.618 -2.759 1.00 0.00 O ATOM 65 CB ARG A 59 -2.712 5.754 -4.942 1.00 0.00 C ATOM 66 CG ARG A 59 -3.889 6.569 -5.481 1.00 0.00 C ATOM 67 CD ARG A 59 -4.169 7.854 -4.693 1.00 0.00 C ATOM 68 NE ARG A 59 -5.608 8.203 -4.898 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.580 7.633 -4.131 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.303 7.167 -2.897 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.885 7.822 -4.437 1.00 0.00 N ATOM 0 H ARG A 59 -3.594 5.343 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.733 3.900 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.186 6.338 -4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.004 5.566 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.692 6.828 -6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.784 5.947 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.957 7.708 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.525 8.663 -5.038 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.866 8.876 -5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.356 7.238 -2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.041 6.743 -2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.143 8.392 -5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.611 7.395 -3.862 1.00 0.00 H new ATOM 85 N VAL A 60 -1.342 2.941 -4.893 1.00 0.00 N ATOM 86 CA VAL A 60 -0.199 2.133 -4.581 1.00 0.00 C ATOM 87 C VAL A 60 0.850 2.443 -5.593 1.00 0.00 C ATOM 88 O VAL A 60 0.703 2.128 -6.770 1.00 0.00 O ATOM 89 CB VAL A 60 -0.458 0.622 -4.583 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.642 -0.183 -3.882 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.822 0.239 -3.987 1.00 0.00 C ATOM 0 H VAL A 60 -1.626 2.928 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 60 0.099 2.376 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.457 0.358 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.396 -1.244 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.594 -0.013 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.719 0.135 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.942 -0.844 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.876 0.580 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.617 0.709 -4.566 1.00 0.00 H new ATOM 101 N PHE A 61 1.962 3.034 -5.124 1.00 0.00 N ATOM 102 CA PHE A 61 3.020 3.427 -6.006 1.00 0.00 C ATOM 103 C PHE A 61 4.054 2.347 -5.957 1.00 0.00 C ATOM 104 O PHE A 61 4.297 1.746 -4.909 1.00 0.00 O ATOM 105 CB PHE A 61 3.665 4.750 -5.577 1.00 0.00 C ATOM 106 CG PHE A 61 2.828 5.864 -6.112 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.536 6.084 -5.625 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.329 6.747 -7.057 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.783 7.151 -6.069 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.589 7.846 -7.461 1.00 0.00 C ATOM 111 CZ PHE A 61 1.320 8.052 -6.962 1.00 0.00 C ATOM 0 H PHE A 61 2.130 3.240 -4.139 1.00 0.00 H new ATOM 0 HA PHE A 61 2.617 3.571 -7.008 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.729 4.809 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.683 4.820 -5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.122 5.409 -4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.307 6.576 -7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.229 7.280 -5.716 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.008 8.545 -8.170 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.750 8.916 -7.270 1.00 0.00 H new ATOM 121 N LEU A 62 4.708 2.071 -7.104 1.00 0.00 N ATOM 122 CA LEU A 62 5.579 0.932 -7.165 1.00 0.00 C ATOM 123 C LEU A 62 6.964 1.398 -6.825 1.00 0.00 C ATOM 124 O LEU A 62 7.275 2.590 -6.863 1.00 0.00 O ATOM 125 CB LEU A 62 5.615 0.275 -8.551 1.00 0.00 C ATOM 126 CG LEU A 62 4.439 -0.668 -8.823 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.665 -2.088 -8.293 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.096 -0.130 -8.323 1.00 0.00 C ATOM 0 H LEU A 62 4.639 2.616 -7.963 1.00 0.00 H new ATOM 0 HA LEU A 62 5.204 0.186 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.625 1.055 -9.312 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.546 -0.283 -8.654 1.00 0.00 H new ATOM 0 HG LEU A 62 4.391 -0.720 -9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.794 -2.704 -8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.547 -2.518 -8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.815 -2.054 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.309 -0.849 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.145 0.027 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.876 0.816 -8.818 1.00 0.00 H new ATOM 140 N PRO A 63 7.811 0.391 -6.643 1.00 0.00 N ATOM 141 CA PRO A 63 9.154 0.853 -6.370 1.00 0.00 C ATOM 142 C PRO A 63 9.756 1.129 -7.727 1.00 0.00 C ATOM 143 O PRO A 63 10.800 1.769 -7.832 1.00 0.00 O ATOM 144 CB PRO A 63 9.852 -0.331 -5.741 1.00 0.00 C ATOM 145 CG PRO A 63 8.752 -1.231 -5.186 1.00 0.00 C ATOM 146 CD PRO A 63 7.445 -0.737 -5.805 1.00 0.00 C ATOM 0 HA PRO A 63 9.219 1.732 -5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.455 -0.863 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.527 -0.008 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.935 -2.274 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.714 -1.174 -4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.968 -1.522 -6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.735 -0.438 -5.034 1.00 0.00 H new ATOM 154 N ASN A 64 9.082 0.697 -8.816 1.00 0.00 N ATOM 155 CA ASN A 64 9.542 1.027 -10.135 1.00 0.00 C ATOM 156 C ASN A 64 8.805 2.265 -10.581 1.00 0.00 C ATOM 157 O ASN A 64 8.560 2.456 -11.772 1.00 0.00 O ATOM 158 CB ASN A 64 9.407 -0.102 -11.179 1.00 0.00 C ATOM 159 CG ASN A 64 8.016 -0.717 -11.064 1.00 0.00 C ATOM 160 OD1 ASN A 64 7.759 -1.549 -10.195 1.00 0.00 O ATOM 161 ND2 ASN A 64 7.099 -0.314 -11.981 1.00 0.00 N ATOM 0 H ASN A 64 8.235 0.130 -8.785 1.00 0.00 H new ATOM 0 HA ASN A 64 10.617 1.195 -10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.563 0.292 -12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.170 -0.862 -11.013 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.157 -0.704 -11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.353 0.379 -12.685 1.00 0.00 H new ATOM 168 N LYS A 65 8.377 3.098 -9.604 1.00 0.00 N ATOM 169 CA LYS A 65 7.949 4.441 -9.886 1.00 0.00 C ATOM 170 C LYS A 65 6.517 4.409 -10.333 1.00 0.00 C ATOM 171 O LYS A 65 5.925 5.450 -10.613 1.00 0.00 O ATOM 172 CB LYS A 65 8.784 5.204 -10.923 1.00 0.00 C ATOM 173 CG LYS A 65 10.294 5.081 -10.704 1.00 0.00 C ATOM 174 CD LYS A 65 10.795 5.810 -9.453 1.00 0.00 C ATOM 175 CE LYS A 65 11.137 4.870 -8.293 1.00 0.00 C ATOM 176 NZ LYS A 65 11.690 5.633 -7.178 1.00 0.00 N ATOM 0 H LYS A 65 8.328 2.840 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 65 8.084 4.990 -8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.538 4.834 -11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.506 6.258 -10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.557 4.026 -10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.813 5.477 -11.577 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.680 6.392 -9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.033 6.517 -9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.243 4.336 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.855 4.119 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.919 4.988 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.554 6.123 -7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.991 6.333 -6.856 1.00 0.00 H new ATOM 190 N GLN A 66 5.908 3.209 -10.383 1.00 0.00 N ATOM 191 CA GLN A 66 4.597 3.094 -10.952 1.00 0.00 C ATOM 192 C GLN A 66 3.588 3.424 -9.909 1.00 0.00 C ATOM 193 O GLN A 66 3.916 3.910 -8.832 1.00 0.00 O ATOM 194 CB GLN A 66 4.283 1.730 -11.577 1.00 0.00 C ATOM 195 CG GLN A 66 4.400 1.720 -13.100 1.00 0.00 C ATOM 196 CD GLN A 66 3.115 2.299 -13.677 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.975 3.516 -13.821 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.118 1.419 -13.948 1.00 0.00 N ATOM 0 H GLN A 66 6.310 2.337 -10.039 1.00 0.00 H new ATOM 0 HA GLN A 66 4.559 3.800 -11.781 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.961 0.984 -11.163 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.273 1.433 -11.296 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.260 2.309 -13.420 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.556 0.704 -13.463 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.271 0.419 -13.817 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.216 1.758 -14.283 1.00 0.00 H new ATOM 207 N ARG A 67 2.306 3.250 -10.276 1.00 0.00 N ATOM 208 CA ARG A 67 1.233 3.673 -9.433 1.00 0.00 C ATOM 209 C ARG A 67 0.014 2.918 -9.854 1.00 0.00 C ATOM 210 O ARG A 67 0.008 2.258 -10.893 1.00 0.00 O ATOM 211 CB ARG A 67 0.941 5.170 -9.547 1.00 0.00 C ATOM 212 CG ARG A 67 0.886 5.679 -10.990 1.00 0.00 C ATOM 213 CD ARG A 67 2.152 6.428 -11.416 1.00 0.00 C ATOM 214 NE ARG A 67 2.408 6.106 -12.853 1.00 0.00 N ATOM 215 CZ ARG A 67 1.665 6.680 -13.838 1.00 0.00 C ATOM 216 NH1 ARG A 67 0.814 7.689 -13.563 1.00 0.00 N ATOM 217 NH2 ARG A 67 1.852 6.307 -15.124 1.00 0.00 N ATOM 0 H ARG A 67 2.014 2.818 -11.153 1.00 0.00 H new ATOM 0 HA ARG A 67 1.513 3.479 -8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.010 5.384 -9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.708 5.723 -9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.729 4.834 -11.660 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.026 6.339 -11.103 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.025 7.502 -11.281 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.000 6.128 -10.800 1.00 0.00 H new ATOM 0 HE ARG A 67 3.148 5.448 -13.098 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.721 8.031 -12.607 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.263 8.110 -14.311 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.548 5.598 -15.353 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.297 6.735 -15.865 1.00 0.00 H new ATOM 231 N THR A 68 -1.037 2.996 -9.018 1.00 0.00 N ATOM 232 CA THR A 68 -2.295 2.388 -9.338 1.00 0.00 C ATOM 233 C THR A 68 -3.239 2.780 -8.246 1.00 0.00 C ATOM 234 O THR A 68 -2.816 3.335 -7.233 1.00 0.00 O ATOM 235 CB THR A 68 -2.259 0.853 -9.460 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.498 0.366 -9.959 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.881 0.123 -8.165 1.00 0.00 C ATOM 0 H THR A 68 -1.017 3.480 -8.120 1.00 0.00 H new ATOM 0 HA THR A 68 -2.600 2.738 -10.324 1.00 0.00 H new ATOM 0 HB THR A 68 -1.459 0.633 -10.167 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.460 -0.610 -10.033 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.880 -0.953 -8.341 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.888 0.440 -7.845 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.606 0.363 -7.387 1.00 0.00 H new ATOM 245 N VAL A 69 -4.543 2.515 -8.442 1.00 0.00 N ATOM 246 CA VAL A 69 -5.504 2.823 -7.423 1.00 0.00 C ATOM 247 C VAL A 69 -6.168 1.541 -7.048 1.00 0.00 C ATOM 248 O VAL A 69 -6.485 0.717 -7.904 1.00 0.00 O ATOM 249 CB VAL A 69 -6.590 3.816 -7.856 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.341 4.453 -6.679 1.00 0.00 C ATOM 251 CG2 VAL A 69 -6.065 4.931 -8.774 1.00 0.00 C ATOM 0 H VAL A 69 -4.929 2.096 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.968 3.297 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.290 3.200 -8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.094 5.144 -7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.827 3.673 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.636 4.995 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.885 5.598 -9.042 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.292 5.497 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.645 4.490 -9.678 1.00 0.00 H new ATOM 261 N VAL A 70 -6.398 1.355 -5.737 1.00 0.00 N ATOM 262 CA VAL A 70 -7.027 0.161 -5.266 1.00 0.00 C ATOM 263 C VAL A 70 -8.014 0.568 -4.223 1.00 0.00 C ATOM 264 O VAL A 70 -7.970 1.685 -3.704 1.00 0.00 O ATOM 265 CB VAL A 70 -6.036 -0.829 -4.645 1.00 0.00 C ATOM 266 CG1 VAL A 70 -5.046 -1.404 -5.661 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.232 -0.244 -3.473 1.00 0.00 C ATOM 0 H VAL A 70 -6.151 2.025 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.492 -0.344 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.677 -1.627 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.371 -2.098 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.592 -1.931 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.468 -0.593 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.552 -1.002 -3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.658 0.616 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.915 0.069 -2.684 1.00 0.00 H new ATOM 277 N ASN A 71 -8.927 -0.354 -3.873 1.00 0.00 N ATOM 278 CA ASN A 71 -9.939 -0.046 -2.911 1.00 0.00 C ATOM 279 C ASN A 71 -9.938 -1.145 -1.890 1.00 0.00 C ATOM 280 O ASN A 71 -9.409 -2.230 -2.126 1.00 0.00 O ATOM 281 CB ASN A 71 -11.339 0.127 -3.536 1.00 0.00 C ATOM 282 CG ASN A 71 -11.731 -1.159 -4.260 1.00 0.00 C ATOM 283 OD1 ASN A 71 -10.959 -1.722 -5.040 1.00 0.00 O ATOM 284 ND2 ASN A 71 -12.993 -1.616 -4.047 1.00 0.00 N ATOM 0 H ASN A 71 -8.966 -1.301 -4.250 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.710 0.916 -2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.070 0.359 -2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.337 0.965 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.325 -2.446 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.609 -1.129 -3.396 1.00 0.00 H new ATOM 291 N VAL A 72 -10.545 -0.872 -0.719 1.00 0.00 N ATOM 292 CA VAL A 72 -10.620 -1.861 0.314 1.00 0.00 C ATOM 293 C VAL A 72 -11.990 -2.466 0.240 1.00 0.00 C ATOM 294 O VAL A 72 -12.988 -1.768 0.072 1.00 0.00 O ATOM 295 CB VAL A 72 -10.380 -1.267 1.711 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.531 -2.280 2.855 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.979 -0.656 1.863 1.00 0.00 C ATOM 0 H VAL A 72 -10.979 0.022 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.840 -2.606 0.161 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.154 -0.504 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.346 -1.783 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.542 -2.688 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.812 -3.089 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.866 -0.252 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.226 -1.426 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.850 0.144 1.134 1.00 0.00 H new ATOM 369 N SER A 77 -6.646 -6.344 3.661 1.00 0.00 N ATOM 370 CA SER A 77 -5.440 -6.016 4.360 1.00 0.00 C ATOM 371 C SER A 77 -4.579 -5.291 3.413 1.00 0.00 C ATOM 372 O SER A 77 -4.815 -5.429 2.239 1.00 0.00 O ATOM 373 CB SER A 77 -4.578 -7.244 4.614 1.00 0.00 C ATOM 374 OG SER A 77 -5.342 -8.272 5.228 1.00 0.00 O ATOM 0 HA SER A 77 -5.734 -5.501 5.275 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.163 -7.605 3.673 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.736 -6.978 5.253 1.00 0.00 H new ATOM 0 HG SER A 77 -5.305 -9.081 4.676 1.00 0.00 H new ATOM 380 N LEU A 78 -3.397 -4.879 3.918 1.00 0.00 N ATOM 381 CA LEU A 78 -2.315 -4.429 3.089 1.00 0.00 C ATOM 382 C LEU A 78 -2.005 -5.502 2.079 1.00 0.00 C ATOM 383 O LEU A 78 -1.960 -5.239 0.890 1.00 0.00 O ATOM 384 CB LEU A 78 -1.061 -4.257 3.947 1.00 0.00 C ATOM 385 CG LEU A 78 -0.716 -2.804 4.254 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.396 -1.992 3.041 1.00 0.00 C ATOM 387 CD2 LEU A 78 -1.902 -1.966 4.692 1.00 0.00 C ATOM 0 H LEU A 78 -3.189 -4.858 4.916 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.594 -3.491 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.199 -4.793 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.217 -4.720 3.436 1.00 0.00 H new ATOM 0 HG LEU A 78 0.082 -2.948 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.161 -0.970 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.462 -2.427 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.255 -1.986 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.573 -0.946 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.653 -1.957 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.333 -2.392 5.598 1.00 0.00 H new ATOM 399 N HIS A 79 -1.751 -6.737 2.557 1.00 0.00 N ATOM 400 CA HIS A 79 -1.351 -7.814 1.697 1.00 0.00 C ATOM 401 C HIS A 79 -2.413 -8.017 0.649 1.00 0.00 C ATOM 402 O HIS A 79 -2.127 -7.936 -0.528 1.00 0.00 O ATOM 403 CB HIS A 79 -1.228 -9.120 2.486 1.00 0.00 C ATOM 404 CG HIS A 79 0.092 -9.290 3.180 1.00 0.00 C ATOM 405 ND1 HIS A 79 0.185 -9.959 4.375 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.358 -9.240 2.687 1.00 0.00 C ATOM 407 CE1 HIS A 79 1.446 -10.296 4.583 1.00 0.00 C ATOM 408 NE2 HIS A 79 2.172 -9.900 3.558 1.00 0.00 N ATOM 0 H HIS A 79 -1.823 -6.991 3.542 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.389 -7.561 1.251 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.025 -9.161 3.228 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.381 -9.959 1.807 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.664 -8.762 1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.821 -10.813 5.454 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.172 -10.060 3.437 1.00 0.00 H new ATOM 417 N ASP A 80 -3.683 -8.217 1.061 1.00 0.00 N ATOM 418 CA ASP A 80 -4.716 -8.569 0.121 1.00 0.00 C ATOM 419 C ASP A 80 -5.007 -7.361 -0.731 1.00 0.00 C ATOM 420 O ASP A 80 -5.514 -7.479 -1.843 1.00 0.00 O ATOM 421 CB ASP A 80 -6.029 -8.973 0.806 1.00 0.00 C ATOM 422 CG ASP A 80 -5.702 -9.970 1.909 1.00 0.00 C ATOM 423 OD1 ASP A 80 -5.393 -11.142 1.573 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.710 -9.552 3.099 1.00 0.00 O ATOM 0 H ASP A 80 -3.994 -8.137 2.029 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.356 -9.419 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.527 -8.097 1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.714 -9.416 0.083 1.00 0.00 H new ATOM 429 N CYS A 81 -4.663 -6.174 -0.206 1.00 0.00 N ATOM 430 CA CYS A 81 -4.945 -4.935 -0.870 1.00 0.00 C ATOM 431 C CYS A 81 -3.898 -4.736 -1.932 1.00 0.00 C ATOM 432 O CYS A 81 -4.172 -4.243 -3.023 1.00 0.00 O ATOM 433 CB CYS A 81 -4.786 -3.826 0.184 1.00 0.00 C ATOM 434 SG CYS A 81 -5.031 -2.181 -0.567 1.00 0.00 S ATOM 0 H CYS A 81 -4.184 -6.069 0.688 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.941 -4.924 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.507 -3.975 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.794 -3.883 0.632 1.00 0.00 H new ATOM 0 HG CYS A 81 -4.894 -1.263 0.344 1.00 0.00 H new ATOM 440 N LEU A 82 -2.651 -5.095 -1.599 1.00 0.00 N ATOM 441 CA LEU A 82 -1.522 -4.712 -2.398 1.00 0.00 C ATOM 442 C LEU A 82 -1.239 -5.813 -3.331 1.00 0.00 C ATOM 443 O LEU A 82 -0.782 -5.590 -4.442 1.00 0.00 O ATOM 444 CB LEU A 82 -0.285 -4.642 -1.524 1.00 0.00 C ATOM 445 CG LEU A 82 -0.217 -3.387 -0.665 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.915 -2.442 -1.075 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.506 -2.554 -0.686 1.00 0.00 C ATOM 0 H LEU A 82 -2.418 -5.651 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.739 -3.762 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.258 -5.518 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.601 -4.687 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.046 -3.784 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.911 -1.566 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.871 -2.958 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.770 -2.128 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.382 -1.676 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.718 -2.237 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.335 -3.157 -0.314 1.00 0.00 H new ATOM 459 N MET A 83 -1.420 -7.042 -2.835 1.00 0.00 N ATOM 460 CA MET A 83 -1.240 -8.225 -3.622 1.00 0.00 C ATOM 461 C MET A 83 -2.089 -8.098 -4.846 1.00 0.00 C ATOM 462 O MET A 83 -1.765 -8.699 -5.849 1.00 0.00 O ATOM 463 CB MET A 83 -1.779 -9.368 -2.768 1.00 0.00 C ATOM 464 CG MET A 83 -2.114 -10.638 -3.540 1.00 0.00 C ATOM 465 SD MET A 83 -0.579 -11.504 -3.999 1.00 0.00 S ATOM 466 CE MET A 83 -0.044 -12.070 -2.352 1.00 0.00 C ATOM 0 H MET A 83 -1.697 -7.224 -1.870 1.00 0.00 H new ATOM 0 HA MET A 83 -0.201 -8.385 -3.910 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.043 -9.609 -2.001 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.676 -9.026 -2.252 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.742 -11.289 -2.932 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.684 -10.391 -4.435 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.559 -12.972 -2.455 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.548 -11.290 -1.874 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.919 -12.287 -1.740 1.00 0.00 H new ATOM 476 N LYS A 84 -3.143 -7.272 -4.750 1.00 0.00 N ATOM 477 CA LYS A 84 -4.018 -7.035 -5.850 1.00 0.00 C ATOM 478 C LYS A 84 -3.388 -6.000 -6.757 1.00 0.00 C ATOM 479 O LYS A 84 -3.550 -6.063 -7.972 1.00 0.00 O ATOM 480 CB LYS A 84 -5.300 -6.564 -5.211 1.00 0.00 C ATOM 481 CG LYS A 84 -5.829 -5.238 -5.726 1.00 0.00 C ATOM 482 CD LYS A 84 -6.865 -4.668 -4.780 1.00 0.00 C ATOM 483 CE LYS A 84 -7.988 -3.910 -5.488 1.00 0.00 C ATOM 484 NZ LYS A 84 -9.114 -3.719 -4.577 1.00 0.00 N ATOM 0 H LYS A 84 -3.390 -6.764 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.207 -7.907 -6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.065 -7.326 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.142 -6.481 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.006 -4.532 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.269 -5.376 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.298 -5.480 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.372 -3.997 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.623 -2.944 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.312 -4.464 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.837 -3.131 -5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.524 -4.643 -4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.784 -3.247 -3.711 1.00 0.00 H new ATOM 498 N ALA A 85 -2.663 -5.020 -6.171 1.00 0.00 N ATOM 499 CA ALA A 85 -2.095 -3.943 -6.952 1.00 0.00 C ATOM 500 C ALA A 85 -0.866 -4.445 -7.644 1.00 0.00 C ATOM 501 O ALA A 85 -0.443 -3.908 -8.665 1.00 0.00 O ATOM 502 CB ALA A 85 -1.609 -2.936 -5.888 1.00 0.00 C ATOM 0 H ALA A 85 -2.470 -4.969 -5.171 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.799 -3.538 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.158 -2.075 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.455 -2.607 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.870 -3.414 -5.245 1.00 0.00 H new ATOM 508 N LEU A 86 -0.178 -5.411 -7.025 1.00 0.00 N ATOM 509 CA LEU A 86 1.091 -5.853 -7.524 1.00 0.00 C ATOM 510 C LEU A 86 0.841 -7.094 -8.263 1.00 0.00 C ATOM 511 O LEU A 86 1.697 -7.571 -8.984 1.00 0.00 O ATOM 512 CB LEU A 86 1.957 -6.213 -6.340 1.00 0.00 C ATOM 513 CG LEU A 86 2.118 -5.039 -5.383 1.00 0.00 C ATOM 514 CD1 LEU A 86 2.097 -5.436 -3.945 1.00 0.00 C ATOM 515 CD2 LEU A 86 3.096 -3.985 -5.878 1.00 0.00 C ATOM 0 H LEU A 86 -0.493 -5.889 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 86 1.565 -5.090 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.516 -7.057 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.938 -6.534 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 86 1.207 -4.441 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.217 -4.550 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.146 -5.917 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.913 -6.132 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.162 -3.178 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.080 -4.435 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.748 -3.585 -6.830 1.00 0.00 H new ATOM 527 N LYS A 87 -0.337 -7.668 -8.012 1.00 0.00 N ATOM 528 CA LYS A 87 -0.792 -8.808 -8.760 1.00 0.00 C ATOM 529 C LYS A 87 -0.846 -8.414 -10.205 1.00 0.00 C ATOM 530 O LYS A 87 -0.376 -9.140 -11.078 1.00 0.00 O ATOM 531 CB LYS A 87 -2.248 -9.134 -8.409 1.00 0.00 C ATOM 532 CG LYS A 87 -2.482 -10.597 -8.059 1.00 0.00 C ATOM 533 CD LYS A 87 -3.123 -11.389 -9.199 1.00 0.00 C ATOM 534 CE LYS A 87 -3.378 -12.859 -8.855 1.00 0.00 C ATOM 535 NZ LYS A 87 -3.991 -13.539 -9.991 1.00 0.00 N ATOM 0 H LYS A 87 -0.985 -7.350 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.127 -9.645 -8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.557 -8.515 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.884 -8.865 -9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.531 -11.058 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.121 -10.656 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.068 -10.919 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.477 -11.336 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.440 -13.347 -8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.029 -12.929 -7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.160 -14.536 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.895 -13.081 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.355 -13.486 -10.812 1.00 0.00 H new ATOM 549 N VAL A 88 -1.474 -7.250 -10.454 1.00 0.00 N ATOM 550 CA VAL A 88 -1.716 -6.773 -11.788 1.00 0.00 C ATOM 551 C VAL A 88 -0.387 -6.461 -12.426 1.00 0.00 C ATOM 552 O VAL A 88 -0.232 -6.545 -13.643 1.00 0.00 O ATOM 553 CB VAL A 88 -2.623 -5.526 -11.770 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.465 -4.662 -10.521 1.00 0.00 C ATOM 555 CG2 VAL A 88 -2.363 -4.489 -12.863 1.00 0.00 C ATOM 0 H VAL A 88 -1.820 -6.629 -9.722 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.233 -7.539 -12.366 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.592 -6.015 -11.873 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.136 -3.805 -10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.711 -5.251 -9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.435 -4.312 -10.449 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.060 -3.658 -12.750 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.341 -4.119 -12.778 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.503 -4.949 -13.841 1.00 0.00 H new ATOM 565 N ARG A 89 0.612 -6.115 -11.596 1.00 0.00 N ATOM 566 CA ARG A 89 1.920 -5.808 -12.094 1.00 0.00 C ATOM 567 C ARG A 89 2.641 -7.103 -12.311 1.00 0.00 C ATOM 568 O ARG A 89 3.334 -7.280 -13.311 1.00 0.00 O ATOM 569 CB ARG A 89 2.688 -5.014 -11.037 1.00 0.00 C ATOM 570 CG ARG A 89 2.049 -3.664 -10.723 1.00 0.00 C ATOM 571 CD ARG A 89 2.674 -2.515 -11.513 1.00 0.00 C ATOM 572 NE ARG A 89 1.769 -1.331 -11.413 1.00 0.00 N ATOM 573 CZ ARG A 89 0.652 -1.243 -12.189 1.00 0.00 C ATOM 574 NH1 ARG A 89 0.398 -2.163 -13.140 1.00 0.00 N ATOM 575 NH2 ARG A 89 -0.165 -0.172 -12.084 1.00 0.00 N ATOM 0 H ARG A 89 0.517 -6.047 -10.583 1.00 0.00 H new ATOM 0 HA ARG A 89 1.847 -5.231 -13.016 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.749 -5.603 -10.122 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.710 -4.855 -11.382 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.982 -3.712 -10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.146 -3.461 -9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.660 -2.274 -11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.811 -2.801 -12.556 1.00 0.00 H new ATOM 0 HE ARG A 89 1.989 -0.581 -10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.045 -2.937 -13.286 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.442 -2.085 -13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.054 0.573 -11.423 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.000 -0.109 -12.666 1.00 0.00 H new ATOM 589 N GLY A 90 2.518 -8.016 -11.334 1.00 0.00 N ATOM 590 CA GLY A 90 3.245 -9.252 -11.370 1.00 0.00 C ATOM 591 C GLY A 90 4.401 -9.104 -10.435 1.00 0.00 C ATOM 592 O GLY A 90 5.484 -9.631 -10.681 1.00 0.00 O ATOM 0 H GLY A 90 1.917 -7.902 -10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.608 -10.083 -11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.591 -9.467 -12.381 1.00 0.00 H new ATOM 596 N LEU A 91 4.185 -8.370 -9.325 1.00 0.00 N ATOM 597 CA LEU A 91 5.269 -8.027 -8.451 1.00 0.00 C ATOM 598 C LEU A 91 5.107 -8.829 -7.191 1.00 0.00 C ATOM 599 O LEU A 91 4.113 -9.527 -6.997 1.00 0.00 O ATOM 600 CB LEU A 91 5.258 -6.535 -8.073 1.00 0.00 C ATOM 601 CG LEU A 91 5.887 -5.607 -9.122 1.00 0.00 C ATOM 602 CD1 LEU A 91 7.089 -4.816 -8.588 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.271 -6.302 -10.434 1.00 0.00 C ATOM 0 H LEU A 91 3.273 -8.018 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 91 6.208 -8.239 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.227 -6.224 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.789 -6.408 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 91 5.082 -4.908 -9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.486 -4.180 -9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.773 -4.197 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.862 -5.509 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.708 -5.574 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.997 -7.089 -10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.382 -6.738 -10.889 1.00 0.00 H new ATOM 615 N GLN A 92 6.112 -8.745 -6.295 1.00 0.00 N ATOM 616 CA GLN A 92 6.077 -9.500 -5.076 1.00 0.00 C ATOM 617 C GLN A 92 5.909 -8.518 -3.947 1.00 0.00 C ATOM 618 O GLN A 92 6.654 -7.542 -3.834 1.00 0.00 O ATOM 619 CB GLN A 92 7.374 -10.285 -4.843 1.00 0.00 C ATOM 620 CG GLN A 92 7.873 -11.036 -6.086 1.00 0.00 C ATOM 621 CD GLN A 92 7.075 -12.330 -6.225 1.00 0.00 C ATOM 622 OE1 GLN A 92 5.777 -12.228 -6.631 1.00 0.00 O flip ATOM 623 NE2 GLN A 92 7.594 -13.422 -5.990 1.00 0.00 N flip ATOM 0 H GLN A 92 6.940 -8.161 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 92 5.259 -10.219 -5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.150 -9.596 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.215 -11.001 -4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.751 -10.418 -6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.937 -11.255 -5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.567 -13.470 -5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.051 -14.279 -6.098 1.00 0.00 H new ATOM 632 N PRO A 93 4.989 -8.876 -3.059 1.00 0.00 N ATOM 633 CA PRO A 93 4.807 -7.852 -2.048 1.00 0.00 C ATOM 634 C PRO A 93 5.610 -8.330 -0.867 1.00 0.00 C ATOM 635 O PRO A 93 6.120 -7.529 -0.089 1.00 0.00 O ATOM 636 CB PRO A 93 3.336 -7.884 -1.678 1.00 0.00 C ATOM 637 CG PRO A 93 2.649 -8.761 -2.716 1.00 0.00 C ATOM 638 CD PRO A 93 3.755 -9.580 -3.368 1.00 0.00 C ATOM 0 HA PRO A 93 5.105 -6.852 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.197 -8.288 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.914 -6.879 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.906 -9.409 -2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.125 -8.154 -3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.774 -10.597 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.605 -9.656 -4.445 1.00 0.00 H new ATOM 646 N GLU A 94 5.797 -9.661 -0.730 1.00 0.00 N ATOM 647 CA GLU A 94 6.360 -10.208 0.476 1.00 0.00 C ATOM 648 C GLU A 94 7.838 -9.934 0.476 1.00 0.00 C ATOM 649 O GLU A 94 8.522 -10.156 1.473 1.00 0.00 O ATOM 650 CB GLU A 94 6.172 -11.727 0.572 1.00 0.00 C ATOM 651 CG GLU A 94 4.751 -12.148 0.972 1.00 0.00 C ATOM 652 CD GLU A 94 4.609 -11.987 2.481 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.453 -10.822 2.944 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.605 -13.028 3.189 1.00 0.00 O ATOM 0 H GLU A 94 5.562 -10.351 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 94 5.850 -9.743 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.417 -12.176 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.878 -12.127 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.014 -11.535 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.566 -13.182 0.682 1.00 0.00 H new ATOM 661 N CYS A 95 8.366 -9.424 -0.652 1.00 0.00 N ATOM 662 CA CYS A 95 9.774 -9.176 -0.750 1.00 0.00 C ATOM 663 C CYS A 95 9.991 -7.701 -0.574 1.00 0.00 C ATOM 664 O CYS A 95 11.086 -7.192 -0.812 1.00 0.00 O ATOM 665 CB CYS A 95 10.327 -9.555 -2.127 1.00 0.00 C ATOM 666 SG CYS A 95 10.211 -11.359 -2.360 1.00 0.00 S ATOM 0 H CYS A 95 7.828 -9.186 -1.486 1.00 0.00 H new ATOM 0 HA CYS A 95 10.281 -9.773 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.767 -9.041 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.365 -9.233 -2.214 1.00 0.00 H new ATOM 0 HG CYS A 95 10.679 -11.676 -3.531 1.00 0.00 H new ATOM 672 N CYS A 96 8.954 -6.976 -0.111 1.00 0.00 N ATOM 673 CA CYS A 96 9.011 -5.545 -0.139 1.00 0.00 C ATOM 674 C CYS A 96 8.474 -5.031 1.167 1.00 0.00 C ATOM 675 O CYS A 96 7.931 -5.783 1.977 1.00 0.00 O ATOM 676 CB CYS A 96 8.100 -4.990 -1.244 1.00 0.00 C ATOM 677 SG CYS A 96 8.828 -5.335 -2.879 1.00 0.00 S ATOM 0 H CYS A 96 8.095 -7.369 0.274 1.00 0.00 H new ATOM 0 HA CYS A 96 10.042 -5.237 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.111 -5.443 -1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.969 -3.916 -1.114 1.00 0.00 H new ATOM 0 HG CYS A 96 8.112 -6.230 -3.493 1.00 0.00 H new ATOM 683 N ALA A 97 8.612 -3.703 1.370 1.00 0.00 N ATOM 684 CA ALA A 97 7.986 -3.039 2.475 1.00 0.00 C ATOM 685 C ALA A 97 7.043 -2.047 1.883 1.00 0.00 C ATOM 686 O ALA A 97 7.360 -1.384 0.901 1.00 0.00 O ATOM 687 CB ALA A 97 8.951 -2.256 3.387 1.00 0.00 C ATOM 0 H ALA A 97 9.159 -3.089 0.766 1.00 0.00 H new ATOM 0 HA ALA A 97 7.522 -3.805 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.389 -1.787 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.689 -2.939 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.459 -1.487 2.805 1.00 0.00 H new ATOM 693 N VAL A 98 5.851 -1.916 2.482 1.00 0.00 N ATOM 694 CA VAL A 98 4.867 -1.018 1.962 1.00 0.00 C ATOM 695 C VAL A 98 4.723 0.101 2.945 1.00 0.00 C ATOM 696 O VAL A 98 4.971 -0.057 4.142 1.00 0.00 O ATOM 697 CB VAL A 98 3.513 -1.694 1.726 1.00 0.00 C ATOM 698 CG1 VAL A 98 3.038 -2.539 2.906 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.382 -0.718 1.403 1.00 0.00 C ATOM 0 H VAL A 98 5.567 -2.425 3.319 1.00 0.00 H new ATOM 0 HA VAL A 98 5.196 -0.656 0.988 1.00 0.00 H new ATOM 0 HB VAL A 98 3.714 -2.329 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.073 -2.987 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.765 -3.327 3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.937 -1.907 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.456 -1.272 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.255 -0.022 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.628 -0.163 0.497 1.00 0.00 H new ATOM 709 N PHE A 99 4.289 1.270 2.440 1.00 0.00 N ATOM 710 CA PHE A 99 4.266 2.453 3.239 1.00 0.00 C ATOM 711 C PHE A 99 3.039 3.209 2.877 1.00 0.00 C ATOM 712 O PHE A 99 2.464 3.017 1.805 1.00 0.00 O ATOM 713 CB PHE A 99 5.400 3.426 2.890 1.00 0.00 C ATOM 714 CG PHE A 99 6.677 2.829 3.352 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.383 1.949 2.550 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.255 3.238 4.548 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.687 1.630 2.849 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.538 2.887 4.866 1.00 0.00 C ATOM 719 CZ PHE A 99 9.280 2.169 3.967 1.00 0.00 C ATOM 0 H PHE A 99 3.956 1.395 1.484 1.00 0.00 H new ATOM 0 HA PHE A 99 4.337 2.136 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.430 3.606 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.235 4.391 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.907 1.511 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.682 3.842 5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.242 0.960 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.962 3.173 5.817 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.337 2.025 4.137 1.00 0.00 H new ATOM 729 N ARG A 100 2.688 4.167 3.747 1.00 0.00 N ATOM 730 CA ARG A 100 1.880 5.261 3.337 1.00 0.00 C ATOM 731 C ARG A 100 2.810 6.425 3.259 1.00 0.00 C ATOM 732 O ARG A 100 3.714 6.576 4.079 1.00 0.00 O ATOM 733 CB ARG A 100 0.745 5.468 4.321 1.00 0.00 C ATOM 734 CG ARG A 100 0.386 6.923 4.590 1.00 0.00 C ATOM 735 CD ARG A 100 -0.733 7.047 5.622 1.00 0.00 C ATOM 736 NE ARG A 100 -1.381 8.383 5.475 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.736 9.525 5.837 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.576 9.518 6.129 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.413 10.695 5.842 1.00 0.00 N ATOM 0 H ARG A 100 2.963 4.182 4.729 1.00 0.00 H new ATOM 0 HA ARG A 100 1.397 5.101 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.140 4.954 3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.012 4.994 5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.268 7.456 4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.078 7.400 3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.467 6.254 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.332 6.932 6.629 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.326 8.441 5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.105 8.647 6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.043 10.384 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.398 10.716 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.939 11.557 6.112 1.00 0.00 H new ATOM 753 N LEU A 101 2.665 7.227 2.199 1.00 0.00 N ATOM 754 CA LEU A 101 3.720 8.108 1.790 1.00 0.00 C ATOM 755 C LEU A 101 3.703 9.305 2.694 1.00 0.00 C ATOM 756 O LEU A 101 2.907 9.407 3.629 1.00 0.00 O ATOM 757 CB LEU A 101 3.482 8.590 0.352 1.00 0.00 C ATOM 758 CG LEU A 101 3.916 7.578 -0.710 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.015 7.591 -1.949 1.00 0.00 C ATOM 760 CD2 LEU A 101 5.401 7.683 -1.077 1.00 0.00 C ATOM 0 H LEU A 101 1.825 7.271 1.623 1.00 0.00 H new ATOM 0 HA LEU A 101 4.673 7.582 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.422 8.810 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.023 9.523 0.196 1.00 0.00 H new ATOM 0 HG LEU A 101 3.788 6.602 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.373 6.853 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.993 7.349 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.038 8.581 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.642 6.938 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.610 8.679 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.008 7.507 -0.189 1.00 0.00 H new ATOM 772 N LEU A 102 4.607 10.261 2.412 1.00 0.00 N ATOM 773 CA LEU A 102 4.778 11.392 3.268 1.00 0.00 C ATOM 774 C LEU A 102 3.766 12.429 2.879 1.00 0.00 C ATOM 775 O LEU A 102 4.044 13.350 2.113 1.00 0.00 O ATOM 776 CB LEU A 102 6.196 11.969 3.209 1.00 0.00 C ATOM 777 CG LEU A 102 6.948 11.642 1.916 1.00 0.00 C ATOM 778 CD1 LEU A 102 6.217 12.115 0.658 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.372 12.205 1.888 1.00 0.00 C ATOM 0 H LEU A 102 5.217 10.250 1.594 1.00 0.00 H new ATOM 0 HA LEU A 102 4.627 11.074 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.142 13.052 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.767 11.589 4.056 1.00 0.00 H new ATOM 0 HG LEU A 102 6.996 10.553 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.802 11.853 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.241 11.633 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.086 13.196 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.850 11.938 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.336 13.290 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.945 11.788 2.716 1.00 0.00 H new ATOM 791 N HIS A 103 2.564 12.346 3.479 1.00 0.00 N ATOM 792 CA HIS A 103 1.564 13.348 3.250 1.00 0.00 C ATOM 793 C HIS A 103 1.688 14.359 4.352 1.00 0.00 C ATOM 794 O HIS A 103 1.096 15.436 4.296 1.00 0.00 O ATOM 795 CB HIS A 103 0.137 12.782 3.241 1.00 0.00 C ATOM 796 CG HIS A 103 -0.211 12.089 1.956 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.377 11.386 1.794 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.357 12.181 0.731 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.509 11.072 0.517 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.469 11.537 -0.149 1.00 0.00 N ATOM 0 H HIS A 103 2.285 11.598 4.114 1.00 0.00 H new ATOM 0 HA HIS A 103 1.730 13.785 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.025 12.080 4.068 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.571 13.593 3.413 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.034 11.145 2.536 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.289 12.672 0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.335 10.524 0.088 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.308 11.434 -1.151 1.00 0.00 H new ATOM 809 N GLU A 104 2.498 14.037 5.380 1.00 0.00 N ATOM 810 CA GLU A 104 2.715 14.963 6.453 1.00 0.00 C ATOM 811 C GLU A 104 4.055 14.653 7.058 1.00 0.00 C ATOM 812 O GLU A 104 4.264 14.803 8.261 1.00 0.00 O ATOM 813 CB GLU A 104 1.617 14.999 7.524 1.00 0.00 C ATOM 814 CG GLU A 104 1.415 13.671 8.258 1.00 0.00 C ATOM 815 CD GLU A 104 0.817 12.665 7.285 1.00 0.00 C ATOM 816 OE1 GLU A 104 -0.380 12.807 6.917 1.00 0.00 O ATOM 817 OE2 GLU A 104 1.556 11.736 6.859 1.00 0.00 O ATOM 0 H GLU A 104 2.995 13.151 5.469 1.00 0.00 H new ATOM 0 HA GLU A 104 2.685 15.966 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.861 15.771 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.677 15.289 7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.366 13.304 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.754 13.808 9.114 1.00 0.00 H new ATOM 824 N HIS A 105 4.999 14.183 6.219 1.00 0.00 N ATOM 825 CA HIS A 105 6.349 13.990 6.668 1.00 0.00 C ATOM 826 C HIS A 105 7.235 14.457 5.562 1.00 0.00 C ATOM 827 O HIS A 105 6.760 14.891 4.514 1.00 0.00 O ATOM 828 CB HIS A 105 6.734 12.529 6.993 1.00 0.00 C ATOM 829 CG HIS A 105 5.558 11.608 7.111 1.00 0.00 C ATOM 830 ND1 HIS A 105 4.670 11.686 8.149 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.268 10.479 6.432 1.00 0.00 C ATOM 832 CE1 HIS A 105 3.838 10.659 8.067 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.174 9.917 7.024 1.00 0.00 N ATOM 0 H HIS A 105 4.833 13.939 5.243 1.00 0.00 H new ATOM 0 HA HIS A 105 6.457 14.541 7.602 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.399 12.156 6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.295 12.510 7.928 1.00 0.00 H new ATOM 0 HD1 HIS A 105 4.652 12.412 8.865 1.00 0.00 H new ATOM 0 HD2 HIS A 105 5.803 10.091 5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.019 10.459 8.742 1.00 0.00 H new ATOM 842 N LYS A 106 8.561 14.375 5.772 1.00 0.00 N ATOM 843 CA LYS A 106 9.473 14.651 4.709 1.00 0.00 C ATOM 844 C LYS A 106 10.622 13.715 4.875 1.00 0.00 C ATOM 845 O LYS A 106 10.985 13.351 5.993 1.00 0.00 O ATOM 846 CB LYS A 106 10.019 16.078 4.766 1.00 0.00 C ATOM 847 CG LYS A 106 9.144 17.098 4.033 1.00 0.00 C ATOM 848 CD LYS A 106 9.145 16.929 2.509 1.00 0.00 C ATOM 849 CE LYS A 106 8.252 17.941 1.784 1.00 0.00 C ATOM 850 NZ LYS A 106 8.189 17.622 0.361 1.00 0.00 N ATOM 0 H LYS A 106 8.994 14.123 6.660 1.00 0.00 H new ATOM 0 HA LYS A 106 8.953 14.531 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.118 16.379 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.020 16.093 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.120 17.014 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.489 18.102 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.166 17.027 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.813 15.921 2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.250 17.927 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.644 18.949 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.581 18.313 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.146 17.657 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.795 16.668 0.236 1.00 0.00 H new ATOM 864 N GLY A 107 11.184 13.256 3.742 1.00 0.00 N ATOM 865 CA GLY A 107 12.367 12.446 3.792 1.00 0.00 C ATOM 866 C GLY A 107 11.949 11.010 3.758 1.00 0.00 C ATOM 867 O GLY A 107 12.384 10.250 2.895 1.00 0.00 O ATOM 0 H GLY A 107 10.828 13.440 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.019 12.673 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.934 12.656 4.699 1.00 0.00 H new ATOM 871 N LYS A 108 11.110 10.592 4.728 1.00 0.00 N ATOM 872 CA LYS A 108 10.873 9.198 4.921 1.00 0.00 C ATOM 873 C LYS A 108 9.478 8.908 4.468 1.00 0.00 C ATOM 874 O LYS A 108 8.884 9.645 3.684 1.00 0.00 O ATOM 875 CB LYS A 108 10.966 8.816 6.404 1.00 0.00 C ATOM 876 CG LYS A 108 12.352 9.041 7.013 1.00 0.00 C ATOM 877 CD LYS A 108 13.424 8.084 6.479 1.00 0.00 C ATOM 878 CE LYS A 108 14.257 8.673 5.336 1.00 0.00 C ATOM 879 NZ LYS A 108 15.361 7.775 5.009 1.00 0.00 N ATOM 0 H LYS A 108 10.606 11.209 5.365 1.00 0.00 H new ATOM 0 HA LYS A 108 11.620 8.634 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.234 9.396 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.696 7.766 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.663 10.067 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.286 8.930 8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.089 7.805 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.943 7.169 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.629 8.825 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.645 9.650 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.921 8.182 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.967 7.651 5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.982 6.852 4.716 1.00 0.00 H new ATOM 893 N LYS A 109 8.930 7.809 5.004 1.00 0.00 N ATOM 894 CA LYS A 109 7.676 7.291 4.566 1.00 0.00 C ATOM 895 C LYS A 109 7.067 6.627 5.758 1.00 0.00 C ATOM 896 O LYS A 109 7.778 6.059 6.588 1.00 0.00 O ATOM 897 CB LYS A 109 7.898 6.277 3.454 1.00 0.00 C ATOM 898 CG LYS A 109 8.497 6.892 2.202 1.00 0.00 C ATOM 899 CD LYS A 109 8.679 5.895 1.070 1.00 0.00 C ATOM 900 CE LYS A 109 10.081 5.956 0.470 1.00 0.00 C ATOM 901 NZ LYS A 109 10.067 5.491 -0.909 1.00 0.00 N ATOM 0 H LYS A 109 9.364 7.270 5.754 1.00 0.00 H new ATOM 0 HA LYS A 109 7.028 8.075 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.557 5.488 3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.947 5.808 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.855 7.704 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.463 7.332 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 109 8.487 4.888 1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.943 6.094 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 109 10.456 6.979 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.762 5.343 1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.885 5.884 -1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.116 4.452 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.190 5.804 -1.372 1.00 0.00 H new ATOM 915 N ALA A 110 5.733 6.718 5.918 1.00 0.00 N ATOM 916 CA ALA A 110 5.111 6.123 7.069 1.00 0.00 C ATOM 917 C ALA A 110 4.963 4.671 6.782 1.00 0.00 C ATOM 918 O ALA A 110 4.223 4.268 5.889 1.00 0.00 O ATOM 919 CB ALA A 110 3.772 6.634 7.593 1.00 0.00 C ATOM 0 H ALA A 110 5.098 7.188 5.273 1.00 0.00 H new ATOM 0 HA ALA A 110 5.787 6.405 7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.477 6.052 8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.867 7.683 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.014 6.532 6.816 1.00 0.00 H new ATOM 925 N ARG A 111 5.688 3.832 7.540 1.00 0.00 N ATOM 926 CA ARG A 111 5.803 2.467 7.178 1.00 0.00 C ATOM 927 C ARG A 111 4.739 1.739 7.913 1.00 0.00 C ATOM 928 O ARG A 111 4.409 2.071 9.051 1.00 0.00 O ATOM 929 CB ARG A 111 7.170 1.990 7.634 1.00 0.00 C ATOM 930 CG ARG A 111 7.642 0.726 6.935 1.00 0.00 C ATOM 931 CD ARG A 111 7.078 -0.531 7.580 1.00 0.00 C ATOM 932 NE ARG A 111 8.058 -1.629 7.332 1.00 0.00 N ATOM 933 CZ ARG A 111 7.717 -2.931 7.531 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.465 -3.274 7.892 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.628 -3.901 7.294 1.00 0.00 N ATOM 0 H ARG A 111 6.185 4.099 8.390 1.00 0.00 H new ATOM 0 HA ARG A 111 5.698 2.305 6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.898 2.783 7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.142 1.811 8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.344 0.760 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.731 0.686 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.929 -0.382 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.106 -0.779 7.155 1.00 0.00 H new ATOM 0 HE ARG A 111 8.998 -1.400 7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.755 -2.553 8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.227 -4.255 8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.563 -3.654 6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.381 -4.880 7.441 1.00 0.00 H new ATOM 949 N LEU A 112 4.169 0.730 7.249 1.00 0.00 N ATOM 950 CA LEU A 112 2.947 0.147 7.711 1.00 0.00 C ATOM 951 C LEU A 112 3.221 -1.282 8.039 1.00 0.00 C ATOM 952 O LEU A 112 4.360 -1.685 8.264 1.00 0.00 O ATOM 953 CB LEU A 112 1.870 0.167 6.622 1.00 0.00 C ATOM 954 CG LEU A 112 1.501 1.571 6.148 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.665 1.567 4.865 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.811 2.413 7.229 1.00 0.00 C ATOM 0 H LEU A 112 4.546 0.315 6.397 1.00 0.00 H new ATOM 0 HA LEU A 112 2.593 0.715 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.218 -0.415 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.974 -0.326 7.000 1.00 0.00 H new ATOM 0 HG LEU A 112 2.457 2.044 5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.434 2.593 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.228 1.084 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.262 1.021 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.576 3.399 6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.109 1.920 7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.476 2.520 8.086 1.00 0.00 H new ATOM 968 N ASP A 113 2.141 -2.080 8.103 1.00 0.00 N ATOM 969 CA ASP A 113 2.269 -3.492 8.304 1.00 0.00 C ATOM 970 C ASP A 113 2.061 -4.143 6.967 1.00 0.00 C ATOM 971 O ASP A 113 2.074 -3.469 5.939 1.00 0.00 O ATOM 972 CB ASP A 113 1.277 -4.049 9.347 1.00 0.00 C ATOM 973 CG ASP A 113 1.805 -5.383 9.856 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.746 -5.369 10.689 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.308 -6.432 9.359 1.00 0.00 O ATOM 0 H ASP A 113 1.180 -1.750 8.016 1.00 0.00 H new ATOM 0 HA ASP A 113 3.258 -3.710 8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.163 -3.347 10.173 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.291 -4.178 8.900 1.00 0.00 H new ATOM 980 N TRP A 114 1.898 -5.483 6.964 1.00 0.00 N ATOM 981 CA TRP A 114 1.654 -6.203 5.772 1.00 0.00 C ATOM 982 C TRP A 114 0.263 -6.772 5.913 1.00 0.00 C ATOM 983 O TRP A 114 -0.410 -7.151 4.959 1.00 0.00 O ATOM 984 CB TRP A 114 2.689 -7.342 5.615 1.00 0.00 C ATOM 985 CG TRP A 114 3.524 -7.240 4.360 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.835 -7.538 4.124 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.034 -6.624 3.177 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.202 -7.076 2.873 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.100 -6.490 2.283 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.771 -6.235 2.905 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.849 -5.879 1.071 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.512 -5.736 1.652 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.538 -5.554 0.745 1.00 0.00 C ATOM 0 H TRP A 114 1.938 -6.062 7.803 1.00 0.00 H new ATOM 0 HA TRP A 114 1.738 -5.566 4.891 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.351 -7.341 6.481 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.166 -8.298 5.615 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.488 -8.057 4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.130 -7.155 2.457 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.990 -6.313 3.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.657 -5.658 0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.499 -5.484 1.374 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.318 -5.153 -0.233 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.291 -6.704 7.137 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.670 -7.035 7.333 1.00 0.00 C ATOM 1006 C ASN A 115 -2.364 -5.766 7.695 1.00 0.00 C ATOM 1007 O ASN A 115 -3.373 -5.773 8.400 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.830 -7.959 8.543 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.912 -8.979 8.232 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.624 -10.130 7.908 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -4.185 -8.537 8.326 1.00 0.00 N ATOM 0 H ASN A 115 0.208 -6.424 7.982 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.063 -7.514 6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.888 -8.461 8.763 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.097 -7.381 9.428 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.960 -9.168 8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.371 -7.572 8.599 1.00 0.00 H new ATOM 1018 N THR A 116 -1.815 -4.622 7.239 1.00 0.00 N ATOM 1019 CA THR A 116 -2.190 -3.370 7.822 1.00 0.00 C ATOM 1020 C THR A 116 -3.608 -3.056 7.419 1.00 0.00 C ATOM 1021 O THR A 116 -4.089 -3.465 6.360 1.00 0.00 O ATOM 1022 CB THR A 116 -1.187 -2.203 7.698 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.573 -1.955 8.955 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.821 -0.814 7.512 1.00 0.00 C ATOM 0 H THR A 116 -1.129 -4.564 6.486 1.00 0.00 H new ATOM 0 HA THR A 116 -2.148 -3.498 8.904 1.00 0.00 H new ATOM 0 HB THR A 116 -0.564 -2.521 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.338 -1.006 9.023 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.035 -0.063 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.420 -0.807 6.602 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.457 -0.587 8.367 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.326 -2.364 8.318 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.654 -1.895 8.035 1.00 0.00 C ATOM 1034 C ASP A 117 -5.517 -0.745 7.085 1.00 0.00 C ATOM 1035 O ASP A 117 -5.436 0.403 7.509 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.349 -1.413 9.322 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.824 -1.184 9.025 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.497 -2.156 8.594 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.287 -0.030 9.214 1.00 0.00 O ATOM 0 H ASP A 117 -3.988 -2.125 9.250 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.256 -2.699 7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.234 -2.154 10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.888 -0.492 9.678 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.589 -1.063 5.775 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.427 -0.084 4.728 1.00 0.00 C ATOM 1046 C ALA A 118 -6.601 0.847 4.775 1.00 0.00 C ATOM 1047 O ALA A 118 -6.542 1.962 4.265 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.541 -0.935 3.449 1.00 0.00 C ATOM 0 H ALA A 118 -5.761 -2.009 5.435 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.506 0.495 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.433 -0.294 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.756 -1.691 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.515 -1.423 3.422 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.643 0.456 5.531 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.821 1.262 5.670 1.00 0.00 C ATOM 1056 C ALA A 119 -8.521 2.374 6.637 1.00 0.00 C ATOM 1057 O ALA A 119 -9.333 3.276 6.830 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.693 0.212 6.384 1.00 0.00 C ATOM 0 H ALA A 119 -7.671 -0.422 6.049 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.228 1.714 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.675 0.636 6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.804 -0.664 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.218 -0.080 7.321 1.00 0.00 H new ATOM 1064 N SER A 120 -7.305 2.375 7.225 1.00 0.00 N ATOM 1065 CA SER A 120 -6.917 3.449 8.096 1.00 0.00 C ATOM 1066 C SER A 120 -5.981 4.338 7.326 1.00 0.00 C ATOM 1067 O SER A 120 -5.676 5.449 7.757 1.00 0.00 O ATOM 1068 CB SER A 120 -6.198 2.974 9.367 1.00 0.00 C ATOM 1069 OG SER A 120 -5.959 4.073 10.239 1.00 0.00 O ATOM 0 H SER A 120 -6.602 1.646 7.101 1.00 0.00 H new ATOM 0 HA SER A 120 -7.823 3.963 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.802 2.222 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.253 2.499 9.103 1.00 0.00 H new ATOM 0 HG SER A 120 -5.851 4.892 9.711 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.472 3.832 6.184 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.599 4.607 5.343 1.00 0.00 C ATOM 1077 C LEU A 121 -5.413 5.017 4.179 1.00 0.00 C ATOM 1078 O LEU A 121 -4.891 5.390 3.131 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.422 3.779 4.814 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.617 3.100 5.921 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.505 3.959 7.182 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.222 1.768 6.355 1.00 0.00 C ATOM 0 H LEU A 121 -5.663 2.890 5.842 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.193 5.442 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.799 3.019 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.761 4.426 4.238 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.634 2.946 5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.923 3.427 7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.010 4.899 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.502 4.164 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.610 1.330 7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.232 1.932 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.257 1.089 5.503 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.732 4.920 4.375 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.670 5.090 3.305 1.00 0.00 C ATOM 1096 C ILE A 122 -7.697 6.541 2.940 1.00 0.00 C ATOM 1097 O ILE A 122 -7.652 7.424 3.794 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.074 4.593 3.680 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.805 3.860 2.552 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.003 5.661 4.290 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.262 2.457 2.252 1.00 0.00 C ATOM 0 H ILE A 122 -7.159 4.722 5.280 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.353 4.488 2.453 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.851 3.871 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.861 3.780 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.744 4.462 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -10.970 5.213 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.557 6.052 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.141 6.474 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.837 2.010 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.215 2.527 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.348 1.835 3.143 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.726 6.793 1.621 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.821 8.135 1.116 1.00 0.00 C ATOM 1115 C GLY A 123 -6.448 8.736 1.140 1.00 0.00 C ATOM 1116 O GLY A 123 -6.282 9.912 1.451 1.00 0.00 O ATOM 0 H GLY A 123 -7.684 6.072 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.219 8.133 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.506 8.724 1.726 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.418 7.932 0.804 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.074 8.422 0.851 1.00 0.00 C ATOM 1122 C GLU A 124 -3.365 7.879 -0.353 1.00 0.00 C ATOM 1123 O GLU A 124 -3.986 7.332 -1.268 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.311 7.935 2.091 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.067 8.151 3.408 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.763 9.553 3.929 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.329 10.431 3.132 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.861 9.760 5.170 1.00 0.00 O ATOM 0 H GLU A 124 -5.514 6.961 0.506 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.107 9.511 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.093 6.873 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.353 8.453 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.139 8.032 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.767 7.403 4.142 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.023 7.997 -0.353 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.230 7.371 -1.369 1.00 0.00 C ATOM 1137 C GLU A 125 -0.305 6.432 -0.680 1.00 0.00 C ATOM 1138 O GLU A 125 0.391 6.808 0.265 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.392 8.336 -2.219 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.204 9.012 -3.325 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.595 10.381 -3.605 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.496 11.198 -2.648 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.219 10.628 -4.780 1.00 0.00 O ATOM 0 H GLU A 125 -1.491 8.520 0.343 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.918 6.885 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.040 9.100 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.439 7.791 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.195 8.402 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.245 9.116 -3.021 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.297 5.174 -1.147 1.00 0.00 N ATOM 1151 CA LEU A 126 0.586 4.192 -0.592 1.00 0.00 C ATOM 1152 C LEU A 126 1.751 4.066 -1.515 1.00 0.00 C ATOM 1153 O LEU A 126 1.697 4.467 -2.678 1.00 0.00 O ATOM 1154 CB LEU A 126 -0.003 2.778 -0.429 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.113 2.671 0.624 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.104 1.324 1.356 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -1.031 3.740 1.716 1.00 0.00 C ATOM 0 H LEU A 126 -0.894 4.835 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 126 0.828 4.545 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.398 2.449 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.801 2.091 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.023 2.799 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.910 1.303 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.247 0.518 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.148 1.192 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.848 3.600 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.079 3.653 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.108 4.729 1.264 1.00 0.00 H new ATOM 1169 N GLN A 127 2.830 3.439 -1.019 1.00 0.00 N ATOM 1170 CA GLN A 127 3.966 3.170 -1.850 1.00 0.00 C ATOM 1171 C GLN A 127 4.565 1.897 -1.361 1.00 0.00 C ATOM 1172 O GLN A 127 4.377 1.515 -0.210 1.00 0.00 O ATOM 1173 CB GLN A 127 5.049 4.256 -1.786 1.00 0.00 C ATOM 1174 CG GLN A 127 5.973 4.285 -3.014 1.00 0.00 C ATOM 1175 CD GLN A 127 7.398 4.529 -2.540 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.739 5.630 -2.109 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.270 3.495 -2.666 1.00 0.00 N ATOM 0 H GLN A 127 2.919 3.120 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 127 3.623 3.126 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.569 5.229 -1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.653 4.101 -0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.911 3.342 -3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.663 5.071 -3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.948 2.597 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.247 3.616 -2.399 1.00 0.00 H new ATOM 1186 N VAL A 128 5.302 1.206 -2.245 1.00 0.00 N ATOM 1187 CA VAL A 128 5.970 0.003 -1.853 1.00 0.00 C ATOM 1188 C VAL A 128 7.421 0.197 -2.155 1.00 0.00 C ATOM 1189 O VAL A 128 7.782 0.874 -3.117 1.00 0.00 O ATOM 1190 CB VAL A 128 5.431 -1.243 -2.573 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.315 -2.483 -2.411 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.050 -1.679 -2.069 1.00 0.00 C ATOM 0 H VAL A 128 5.436 1.474 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 128 5.798 -0.177 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 128 5.399 -0.917 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.869 -3.321 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.306 -2.279 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.401 -2.733 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.725 -2.564 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.108 -1.912 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.334 -0.872 -2.226 1.00 0.00 H new ATOM 1202 N ASP A 129 8.287 -0.356 -1.287 1.00 0.00 N ATOM 1203 CA ASP A 129 9.701 -0.193 -1.447 1.00 0.00 C ATOM 1204 C ASP A 129 10.328 -1.508 -1.103 1.00 0.00 C ATOM 1205 O ASP A 129 9.641 -2.502 -0.904 1.00 0.00 O ATOM 1206 CB ASP A 129 10.262 0.891 -0.507 1.00 0.00 C ATOM 1207 CG ASP A 129 11.122 1.835 -1.332 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.127 1.354 -1.917 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.755 3.037 -1.419 1.00 0.00 O ATOM 0 H ASP A 129 8.012 -0.913 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 129 9.920 0.117 -2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.449 1.437 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.852 0.436 0.289 1.00 0.00 H new ATOM 1214 N PHE A 130 11.671 -1.535 -0.976 1.00 0.00 N ATOM 1215 CA PHE A 130 12.346 -2.768 -0.690 1.00 0.00 C ATOM 1216 C PHE A 130 12.176 -3.058 0.776 1.00 0.00 C ATOM 1217 O PHE A 130 11.752 -2.200 1.553 1.00 0.00 O ATOM 1218 CB PHE A 130 13.844 -2.751 -1.052 1.00 0.00 C ATOM 1219 CG PHE A 130 14.440 -1.484 -0.530 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.986 -1.418 0.744 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.529 -0.347 -1.342 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.543 -0.242 1.219 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.085 0.825 -0.865 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.589 0.880 0.419 1.00 0.00 C ATOM 0 H PHE A 130 12.279 -0.721 -1.069 1.00 0.00 H new ATOM 0 HA PHE A 130 11.900 -3.546 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.349 -3.614 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.974 -2.815 -2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.977 -2.295 1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.158 -0.386 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.943 -0.204 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.125 1.699 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 130 16.017 1.797 0.795 1.00 0.00 H new