USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 812 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 22 HIS : no HD1:sc= -7.07! C(o=-10!,f=-15!) USER MOD Set 1.2: A 81 SER OG : rot 100:sc= -2.89! USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.233 K(o=-0.014,f=-2) USER MOD Set 2.2: A 48 MET CE :methyl -161:sc= -0.246 (180deg=-1.49!) USER MOD Set 3.1: A 20 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.57) USER MOD Set 3.2: A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0424) USER MOD Single : A 6 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.41) USER MOD Single : A 13 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.444 (180deg=-1.56!) USER MOD Single : A 18 HIS : no HD1:sc= -0.304 K(o=-0.3,f=-0.93) USER MOD Single : A 21 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.6) USER MOD Single : A 24 GLN : amide:sc= -1.67 K(o=-1.7,f=-8.1!) USER MOD Single : A 27 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.027) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 31 ASN : amide:sc= -6.76! C(o=-6.8!,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ -124:sc= -2.83! (180deg=-3.84!) USER MOD Single : A 35 HIS : no HD1:sc= -0.516 K(o=-0.52,f=-1.1!) USER MOD Single : A 36 HIS : no HD1:sc= -0.735 X(o=-0.73,f=-0.87) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 39 ASN : amide:sc= -0.0161 K(o=-0.016,f=-1.7!) USER MOD Single : A 49 GLN : amide:sc= -3.9 X(o=-3.9,f=-3.6!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0309 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= -0.217 (180deg=-0.217) USER MOD Single : A 58 GLN : amide:sc= -2.38! K(o=-2.4!,f=-1.4) USER MOD Single : A 60 MET CE :methyl -119:sc= -2.07 (180deg=-6.43!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -131:sc= 0.933 (180deg=-1!) USER MOD Single : A 65 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.4) USER MOD Single : A 66 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.14) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.279 (180deg=-1.78!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 74 GLN : amide:sc= -9.32! C(o=-9.3!,f=-3!) USER MOD Single : A 76 GLN : amide:sc= -8.89! C(o=-8.9!,f=-6!) USER MOD Single : A 80 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.098) USER MOD Single : A 83 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.88!) USER MOD Single : A 84 ASN : amide:sc= -8.7! C(o=-8.7!,f=-20!) USER MOD Single : A 86 HIS : no HE2:sc= -3.2 X(o=-3.2,f=-2.9!) USER MOD Single : A 88 ASN : amide:sc= -15.9! C(o=-16!,f=-16!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-0.61) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 101 HIS : no HD1:sc= -0.635 X(o=-0.63,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.059 -19.250 -12.026 1.00 0.00 N ATOM 2 CA MET A 1 3.723 -18.093 -11.150 1.00 0.00 C ATOM 3 C MET A 1 2.781 -17.148 -11.895 1.00 0.00 C ATOM 4 O MET A 1 3.084 -16.678 -12.974 1.00 0.00 O ATOM 5 CB MET A 1 5.005 -17.347 -10.772 1.00 0.00 C ATOM 6 CG MET A 1 4.644 -15.990 -10.163 1.00 0.00 C ATOM 7 SD MET A 1 4.349 -14.794 -11.488 1.00 0.00 S ATOM 8 CE MET A 1 6.059 -14.229 -11.667 1.00 0.00 C ATOM 0 H1 MET A 1 4.700 -19.894 -11.520 1.00 0.00 H new ATOM 0 H2 MET A 1 3.188 -19.758 -12.280 1.00 0.00 H new ATOM 0 H3 MET A 1 4.524 -18.907 -12.891 1.00 0.00 H new ATOM 0 HA MET A 1 3.235 -18.453 -10.244 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.584 -17.935 -10.060 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.631 -17.207 -11.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.755 -16.084 -9.539 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.451 -15.643 -9.518 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.112 -13.471 -12.449 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.402 -13.803 -10.724 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.695 -15.073 -11.936 1.00 0.00 H new ATOM 20 N TYR A 2 1.640 -16.866 -11.330 1.00 0.00 N ATOM 21 CA TYR A 2 0.679 -15.951 -12.009 1.00 0.00 C ATOM 22 C TYR A 2 1.409 -14.678 -12.438 1.00 0.00 C ATOM 23 O TYR A 2 1.742 -14.499 -13.592 1.00 0.00 O ATOM 24 CB TYR A 2 -0.452 -15.588 -11.042 1.00 0.00 C ATOM 25 CG TYR A 2 -0.279 -16.351 -9.752 1.00 0.00 C ATOM 26 CD1 TYR A 2 -0.326 -17.749 -9.755 1.00 0.00 C ATOM 27 CD2 TYR A 2 -0.074 -15.659 -8.552 1.00 0.00 C ATOM 28 CE1 TYR A 2 -0.166 -18.458 -8.558 1.00 0.00 C ATOM 29 CE2 TYR A 2 0.085 -16.366 -7.355 1.00 0.00 C ATOM 30 CZ TYR A 2 0.039 -17.766 -7.357 1.00 0.00 C ATOM 31 OH TYR A 2 0.197 -18.464 -6.177 1.00 0.00 O ATOM 0 H TYR A 2 1.331 -17.229 -10.428 1.00 0.00 H new ATOM 0 HA TYR A 2 0.262 -16.447 -12.886 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.446 -14.516 -10.846 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.417 -15.825 -11.490 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.486 -18.282 -10.681 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.039 -14.580 -8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.201 -19.537 -8.561 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.243 -15.832 -6.430 1.00 0.00 H new ATOM 0 HH TYR A 2 0.331 -17.833 -5.439 1.00 0.00 H new ATOM 41 N GLY A 3 1.660 -13.792 -11.513 1.00 0.00 N ATOM 42 CA GLY A 3 2.370 -12.530 -11.862 1.00 0.00 C ATOM 43 C GLY A 3 1.464 -11.333 -11.564 1.00 0.00 C ATOM 44 O GLY A 3 1.882 -10.195 -11.636 1.00 0.00 O ATOM 0 H GLY A 3 1.404 -13.888 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.294 -12.451 -11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.647 -12.536 -12.916 1.00 0.00 H new ATOM 48 N LYS A 4 0.226 -11.581 -11.232 1.00 0.00 N ATOM 49 CA LYS A 4 -0.703 -10.455 -10.930 1.00 0.00 C ATOM 50 C LYS A 4 -0.138 -9.625 -9.778 1.00 0.00 C ATOM 51 O LYS A 4 -0.159 -8.410 -9.812 1.00 0.00 O ATOM 52 CB LYS A 4 -2.070 -11.008 -10.534 1.00 0.00 C ATOM 53 CG LYS A 4 -2.540 -12.015 -11.587 1.00 0.00 C ATOM 54 CD LYS A 4 -3.925 -12.542 -11.207 1.00 0.00 C ATOM 55 CE LYS A 4 -4.486 -13.379 -12.358 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.029 -12.475 -13.411 1.00 0.00 N ATOM 0 H LYS A 4 -0.182 -12.513 -11.157 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.810 -9.828 -11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.010 -11.489 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.791 -10.195 -10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.576 -11.541 -12.568 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.832 -12.841 -11.658 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.860 -13.146 -10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.595 -11.710 -10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.704 -14.013 -12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.271 -14.041 -11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.545 -13.036 -14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.676 -11.786 -12.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.246 -11.971 -13.873 1.00 0.00 H new ATOM 70 N LEU A 5 0.364 -10.264 -8.754 1.00 0.00 N ATOM 71 CA LEU A 5 0.923 -9.494 -7.608 1.00 0.00 C ATOM 72 C LEU A 5 1.641 -8.264 -8.158 1.00 0.00 C ATOM 73 O LEU A 5 1.335 -7.144 -7.801 1.00 0.00 O ATOM 74 CB LEU A 5 1.931 -10.352 -6.828 1.00 0.00 C ATOM 75 CG LEU A 5 1.254 -11.550 -6.128 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.270 -11.386 -6.058 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.587 -12.834 -6.888 1.00 0.00 C ATOM 0 H LEU A 5 0.410 -11.279 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 5 0.114 -9.203 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.699 -10.718 -7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.433 -9.734 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 5 1.634 -11.598 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.706 -12.251 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.513 -10.483 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.674 -11.308 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.110 -13.682 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.221 -12.756 -7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.667 -12.981 -6.899 1.00 0.00 H new ATOM 89 N ASN A 6 2.584 -8.460 -9.038 1.00 0.00 N ATOM 90 CA ASN A 6 3.304 -7.302 -9.618 1.00 0.00 C ATOM 91 C ASN A 6 2.288 -6.203 -9.928 1.00 0.00 C ATOM 92 O ASN A 6 2.539 -5.034 -9.713 1.00 0.00 O ATOM 93 CB ASN A 6 4.002 -7.746 -10.904 1.00 0.00 C ATOM 94 CG ASN A 6 5.516 -7.600 -10.742 1.00 0.00 C ATOM 95 OD1 ASN A 6 6.275 -8.364 -11.306 1.00 0.00 O ATOM 96 ND2 ASN A 6 5.991 -6.647 -9.991 1.00 0.00 N ATOM 0 H ASN A 6 2.884 -9.374 -9.378 1.00 0.00 H new ATOM 0 HA ASN A 6 4.049 -6.923 -8.918 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.748 -8.782 -11.129 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.656 -7.144 -11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.999 -6.542 -9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.355 -6.006 -9.518 1.00 0.00 H new ATOM 103 N ASP A 7 1.131 -6.570 -10.410 1.00 0.00 N ATOM 104 CA ASP A 7 0.095 -5.543 -10.705 1.00 0.00 C ATOM 105 C ASP A 7 -0.293 -4.874 -9.389 1.00 0.00 C ATOM 106 O ASP A 7 -0.565 -3.691 -9.331 1.00 0.00 O ATOM 107 CB ASP A 7 -1.130 -6.211 -11.328 1.00 0.00 C ATOM 108 CG ASP A 7 -1.996 -5.155 -12.018 1.00 0.00 C ATOM 109 OD1 ASP A 7 -2.510 -4.291 -11.326 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.131 -5.228 -13.229 1.00 0.00 O ATOM 0 H ASP A 7 0.861 -7.533 -10.611 1.00 0.00 H new ATOM 0 HA ASP A 7 0.481 -4.803 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.817 -6.967 -12.049 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.708 -6.724 -10.559 1.00 0.00 H new ATOM 115 N LEU A 8 -0.295 -5.630 -8.324 1.00 0.00 N ATOM 116 CA LEU A 8 -0.634 -5.054 -6.996 1.00 0.00 C ATOM 117 C LEU A 8 0.605 -4.343 -6.459 1.00 0.00 C ATOM 118 O LEU A 8 0.540 -3.251 -5.930 1.00 0.00 O ATOM 119 CB LEU A 8 -1.010 -6.188 -6.035 1.00 0.00 C ATOM 120 CG LEU A 8 -2.521 -6.214 -5.800 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.992 -4.850 -5.295 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.239 -6.559 -7.106 1.00 0.00 C ATOM 0 H LEU A 8 -0.075 -6.626 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.469 -4.359 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.684 -7.143 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.491 -6.055 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.754 -6.971 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.069 -4.875 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.487 -4.614 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.757 -4.086 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.315 -6.577 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.003 -5.808 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.910 -7.538 -7.454 1.00 0.00 H new ATOM 134 N LEU A 9 1.737 -4.973 -6.598 1.00 0.00 N ATOM 135 CA LEU A 9 3.010 -4.377 -6.111 1.00 0.00 C ATOM 136 C LEU A 9 3.349 -3.128 -6.925 1.00 0.00 C ATOM 137 O LEU A 9 3.453 -2.038 -6.396 1.00 0.00 O ATOM 138 CB LEU A 9 4.133 -5.399 -6.280 1.00 0.00 C ATOM 139 CG LEU A 9 5.269 -5.074 -5.312 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.327 -6.172 -5.384 1.00 0.00 C ATOM 141 CD2 LEU A 9 5.898 -3.733 -5.698 1.00 0.00 C ATOM 0 H LEU A 9 1.835 -5.889 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 9 2.901 -4.104 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.756 -6.404 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.500 -5.385 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 9 4.877 -5.013 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.138 -5.941 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.879 -7.127 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.720 -6.232 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.709 -3.499 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.291 -3.794 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.142 -2.949 -5.648 1.00 0.00 H new ATOM 153 N GLU A 10 3.537 -3.279 -8.207 1.00 0.00 N ATOM 154 CA GLU A 10 3.888 -2.103 -9.051 1.00 0.00 C ATOM 155 C GLU A 10 2.849 -0.995 -8.861 1.00 0.00 C ATOM 156 O GLU A 10 3.151 0.176 -8.976 1.00 0.00 O ATOM 157 CB GLU A 10 3.926 -2.524 -10.523 1.00 0.00 C ATOM 158 CG GLU A 10 4.851 -1.585 -11.298 1.00 0.00 C ATOM 159 CD GLU A 10 4.575 -1.718 -12.798 1.00 0.00 C ATOM 160 OE1 GLU A 10 5.102 -2.641 -13.397 1.00 0.00 O ATOM 161 OE2 GLU A 10 3.843 -0.895 -13.320 1.00 0.00 O ATOM 0 H GLU A 10 3.463 -4.165 -8.706 1.00 0.00 H new ATOM 0 HA GLU A 10 4.867 -1.728 -8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.278 -3.552 -10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.922 -2.494 -10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.692 -0.555 -10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.892 -1.827 -11.086 1.00 0.00 H new ATOM 168 N ASP A 11 1.630 -1.349 -8.572 1.00 0.00 N ATOM 169 CA ASP A 11 0.581 -0.309 -8.376 1.00 0.00 C ATOM 170 C ASP A 11 0.655 0.225 -6.946 1.00 0.00 C ATOM 171 O ASP A 11 0.593 1.416 -6.711 1.00 0.00 O ATOM 172 CB ASP A 11 -0.798 -0.922 -8.624 1.00 0.00 C ATOM 173 CG ASP A 11 -0.967 -1.204 -10.118 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.130 -1.904 -10.665 1.00 0.00 O ATOM 175 OD2 ASP A 11 -1.927 -0.716 -10.690 1.00 0.00 O ATOM 0 H ASP A 11 1.313 -2.312 -8.463 1.00 0.00 H new ATOM 0 HA ASP A 11 0.744 0.509 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.906 -1.845 -8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.578 -0.242 -8.280 1.00 0.00 H new ATOM 180 N LEU A 12 0.790 -0.647 -5.987 1.00 0.00 N ATOM 181 CA LEU A 12 0.872 -0.194 -4.570 1.00 0.00 C ATOM 182 C LEU A 12 2.099 0.701 -4.397 1.00 0.00 C ATOM 183 O LEU A 12 2.029 1.764 -3.813 1.00 0.00 O ATOM 184 CB LEU A 12 0.988 -1.417 -3.656 1.00 0.00 C ATOM 185 CG LEU A 12 1.651 -1.027 -2.332 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.879 0.123 -1.683 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.640 -2.232 -1.393 1.00 0.00 C ATOM 0 H LEU A 12 0.847 -1.656 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.024 0.369 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.001 -1.834 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.572 -2.194 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 12 2.677 -0.710 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.356 0.396 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.878 0.984 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.148 -0.190 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.111 -1.961 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.611 -2.541 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.190 -3.054 -1.850 1.00 0.00 H new ATOM 199 N GLN A 13 3.226 0.282 -4.902 1.00 0.00 N ATOM 200 CA GLN A 13 4.453 1.114 -4.765 1.00 0.00 C ATOM 201 C GLN A 13 4.322 2.358 -5.645 1.00 0.00 C ATOM 202 O GLN A 13 5.061 3.311 -5.501 1.00 0.00 O ATOM 203 CB GLN A 13 5.676 0.297 -5.191 1.00 0.00 C ATOM 204 CG GLN A 13 5.897 0.437 -6.699 1.00 0.00 C ATOM 205 CD GLN A 13 7.024 -0.501 -7.135 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.048 -0.962 -8.258 1.00 0.00 O ATOM 207 NE2 GLN A 13 7.967 -0.803 -6.284 1.00 0.00 N ATOM 0 H GLN A 13 3.350 -0.598 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 13 4.575 1.421 -3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.559 0.640 -4.652 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.532 -0.752 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.980 0.196 -7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.150 1.468 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.946 -0.415 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.725 -1.427 -6.562 1.00 0.00 H new ATOM 216 N GLU A 14 3.383 2.360 -6.551 1.00 0.00 N ATOM 217 CA GLU A 14 3.202 3.548 -7.433 1.00 0.00 C ATOM 218 C GLU A 14 2.441 4.625 -6.668 1.00 0.00 C ATOM 219 O GLU A 14 2.908 5.736 -6.515 1.00 0.00 O ATOM 220 CB GLU A 14 2.414 3.149 -8.671 1.00 0.00 C ATOM 221 CG GLU A 14 1.907 4.402 -9.389 1.00 0.00 C ATOM 222 CD GLU A 14 0.413 4.581 -9.113 1.00 0.00 C ATOM 223 OE1 GLU A 14 -0.281 3.578 -9.040 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.013 5.715 -8.980 1.00 0.00 O ATOM 0 H GLU A 14 2.734 1.591 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 14 4.176 3.932 -7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.044 2.564 -9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.573 2.515 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.458 5.278 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.081 4.315 -10.461 1.00 0.00 H new ATOM 231 N VAL A 15 1.276 4.309 -6.168 1.00 0.00 N ATOM 232 CA VAL A 15 0.515 5.328 -5.399 1.00 0.00 C ATOM 233 C VAL A 15 1.502 6.023 -4.466 1.00 0.00 C ATOM 234 O VAL A 15 1.366 7.185 -4.147 1.00 0.00 O ATOM 235 CB VAL A 15 -0.608 4.648 -4.590 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.638 3.151 -4.897 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.380 4.836 -3.086 1.00 0.00 C ATOM 0 H VAL A 15 0.825 3.399 -6.259 1.00 0.00 H new ATOM 0 HA VAL A 15 0.050 6.053 -6.067 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.555 5.107 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.434 2.678 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.821 3.001 -5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.319 2.705 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.183 4.349 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.575 4.393 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.370 5.900 -2.850 1.00 0.00 H new ATOM 247 N LEU A 16 2.509 5.306 -4.044 1.00 0.00 N ATOM 248 CA LEU A 16 3.534 5.895 -3.144 1.00 0.00 C ATOM 249 C LEU A 16 4.340 6.933 -3.927 1.00 0.00 C ATOM 250 O LEU A 16 4.784 7.926 -3.385 1.00 0.00 O ATOM 251 CB LEU A 16 4.465 4.781 -2.652 1.00 0.00 C ATOM 252 CG LEU A 16 5.704 5.386 -1.985 1.00 0.00 C ATOM 253 CD1 LEU A 16 5.283 6.181 -0.750 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.653 4.260 -1.568 1.00 0.00 C ATOM 0 H LEU A 16 2.664 4.328 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 16 3.057 6.373 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.937 4.142 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.765 4.151 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 16 6.209 6.050 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.165 6.611 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.604 6.981 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.779 5.519 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.537 4.686 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.146 3.599 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.953 3.692 -2.449 1.00 0.00 H new ATOM 266 N LYS A 17 4.538 6.711 -5.201 1.00 0.00 N ATOM 267 CA LYS A 17 5.321 7.688 -6.011 1.00 0.00 C ATOM 268 C LYS A 17 4.567 9.019 -6.091 1.00 0.00 C ATOM 269 O LYS A 17 5.149 10.079 -5.983 1.00 0.00 O ATOM 270 CB LYS A 17 5.523 7.135 -7.423 1.00 0.00 C ATOM 271 CG LYS A 17 6.775 7.760 -8.043 1.00 0.00 C ATOM 272 CD LYS A 17 6.807 7.466 -9.545 1.00 0.00 C ATOM 273 CE LYS A 17 7.669 6.228 -9.805 1.00 0.00 C ATOM 274 NZ LYS A 17 7.004 5.029 -9.222 1.00 0.00 N ATOM 0 H LYS A 17 4.193 5.899 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 17 6.290 7.850 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.624 6.050 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.651 7.355 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.778 8.837 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.669 7.359 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.795 7.302 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.210 8.323 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.815 6.091 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.657 6.360 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.321 4.177 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.254 4.948 -8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.973 5.124 -9.316 1.00 0.00 H new ATOM 288 N HIS A 18 3.278 8.972 -6.287 1.00 0.00 N ATOM 289 CA HIS A 18 2.488 10.233 -6.381 1.00 0.00 C ATOM 290 C HIS A 18 2.573 11.006 -5.062 1.00 0.00 C ATOM 291 O HIS A 18 2.979 12.150 -5.026 1.00 0.00 O ATOM 292 CB HIS A 18 1.030 9.892 -6.678 1.00 0.00 C ATOM 293 CG HIS A 18 0.836 9.762 -8.165 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.867 9.981 -9.068 1.00 0.00 N ATOM 295 CD2 HIS A 18 -0.262 9.431 -8.921 1.00 0.00 C ATOM 296 CE1 HIS A 18 1.372 9.781 -10.305 1.00 0.00 C ATOM 297 NE2 HIS A 18 0.082 9.444 -10.268 1.00 0.00 N ATOM 0 H HIS A 18 2.736 8.113 -6.386 1.00 0.00 H new ATOM 0 HA HIS A 18 2.893 10.852 -7.181 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.755 8.961 -6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.376 10.669 -6.282 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.241 9.197 -8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.948 9.881 -11.213 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.525 9.239 -11.062 1.00 0.00 H new ATOM 306 N VAL A 19 2.188 10.392 -3.979 1.00 0.00 N ATOM 307 CA VAL A 19 2.236 11.091 -2.664 1.00 0.00 C ATOM 308 C VAL A 19 3.556 11.855 -2.526 1.00 0.00 C ATOM 309 O VAL A 19 3.573 13.023 -2.190 1.00 0.00 O ATOM 310 CB VAL A 19 2.128 10.061 -1.540 1.00 0.00 C ATOM 311 CG1 VAL A 19 0.993 10.454 -0.593 1.00 0.00 C ATOM 312 CG2 VAL A 19 1.835 8.689 -2.142 1.00 0.00 C ATOM 0 H VAL A 19 1.841 9.433 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 19 1.406 11.795 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 19 3.066 10.026 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.917 9.719 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.199 11.436 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.054 10.488 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.757 7.951 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.896 8.727 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.642 8.408 -2.818 1.00 0.00 H new ATOM 322 N ASN A 20 4.661 11.209 -2.776 1.00 0.00 N ATOM 323 CA ASN A 20 5.971 11.906 -2.652 1.00 0.00 C ATOM 324 C ASN A 20 5.845 13.328 -3.202 1.00 0.00 C ATOM 325 O ASN A 20 6.167 14.292 -2.536 1.00 0.00 O ATOM 326 CB ASN A 20 7.033 11.141 -3.445 1.00 0.00 C ATOM 327 CG ASN A 20 7.349 9.826 -2.731 1.00 0.00 C ATOM 328 OD1 ASN A 20 7.533 8.805 -3.364 1.00 0.00 O ATOM 329 ND2 ASN A 20 7.418 9.806 -1.427 1.00 0.00 N ATOM 0 H ASN A 20 4.713 10.231 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 20 6.264 11.948 -1.603 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.676 10.942 -4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.937 11.743 -3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.626 8.934 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.264 10.662 -0.895 1.00 0.00 H new ATOM 336 N GLN A 21 5.375 13.465 -4.411 1.00 0.00 N ATOM 337 CA GLN A 21 5.223 14.824 -5.003 1.00 0.00 C ATOM 338 C GLN A 21 3.801 15.331 -4.751 1.00 0.00 C ATOM 339 O GLN A 21 3.385 16.335 -5.292 1.00 0.00 O ATOM 340 CB GLN A 21 5.482 14.753 -6.510 1.00 0.00 C ATOM 341 CG GLN A 21 6.243 16.003 -6.961 1.00 0.00 C ATOM 342 CD GLN A 21 7.606 16.049 -6.269 1.00 0.00 C ATOM 343 OE1 GLN A 21 8.158 15.025 -5.919 1.00 0.00 O ATOM 344 NE2 GLN A 21 8.177 17.202 -6.056 1.00 0.00 N ATOM 0 H GLN A 21 5.089 12.694 -5.015 1.00 0.00 H new ATOM 0 HA GLN A 21 5.938 15.506 -4.543 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.058 13.859 -6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.537 14.676 -7.048 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.373 15.992 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.670 16.898 -6.718 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.714 18.062 -6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.086 17.243 -5.596 1.00 0.00 H new ATOM 353 N HIS A 22 3.050 14.640 -3.935 1.00 0.00 N ATOM 354 CA HIS A 22 1.653 15.080 -3.652 1.00 0.00 C ATOM 355 C HIS A 22 1.344 14.906 -2.163 1.00 0.00 C ATOM 356 O HIS A 22 0.199 14.891 -1.758 1.00 0.00 O ATOM 357 CB HIS A 22 0.679 14.233 -4.473 1.00 0.00 C ATOM 358 CG HIS A 22 0.514 14.841 -5.839 1.00 0.00 C ATOM 359 ND1 HIS A 22 -0.305 15.939 -6.068 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.054 14.515 -7.058 1.00 0.00 C ATOM 361 CE1 HIS A 22 -0.234 16.231 -7.380 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.580 15.394 -8.026 1.00 0.00 N ATOM 0 H HIS A 22 3.343 13.791 -3.453 1.00 0.00 H new ATOM 0 HA HIS A 22 1.546 16.131 -3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.052 13.213 -4.560 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.286 14.178 -3.969 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.741 13.701 -7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.769 17.042 -7.851 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.807 15.398 -9.020 1.00 0.00 H new ATOM 371 N TRP A 23 2.351 14.780 -1.343 1.00 0.00 N ATOM 372 CA TRP A 23 2.098 14.611 0.116 1.00 0.00 C ATOM 373 C TRP A 23 1.997 15.985 0.775 1.00 0.00 C ATOM 374 O TRP A 23 2.611 16.941 0.342 1.00 0.00 O ATOM 375 CB TRP A 23 3.246 13.832 0.758 1.00 0.00 C ATOM 376 CG TRP A 23 2.857 13.436 2.146 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.712 14.285 3.189 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.564 12.108 2.663 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.336 13.560 4.305 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.238 12.215 4.032 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.551 10.837 2.077 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.907 11.095 4.796 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.221 9.704 2.839 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.900 9.834 4.197 1.00 0.00 C ATOM 0 H TRP A 23 3.333 14.787 -1.618 1.00 0.00 H new ATOM 0 HA TRP A 23 1.167 14.062 0.255 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.476 12.946 0.166 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.148 14.444 0.781 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.865 15.354 3.156 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.153 13.972 5.220 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.797 10.727 1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.658 11.203 5.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.215 8.728 2.376 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.648 8.960 4.779 1.00 0.00 H new ATOM 395 N GLN A 24 1.233 16.089 1.825 1.00 0.00 N ATOM 396 CA GLN A 24 1.100 17.403 2.518 1.00 0.00 C ATOM 397 C GLN A 24 0.794 17.177 4.002 1.00 0.00 C ATOM 398 O GLN A 24 1.093 16.138 4.556 1.00 0.00 O ATOM 399 CB GLN A 24 -0.027 18.216 1.873 1.00 0.00 C ATOM 400 CG GLN A 24 0.572 19.421 1.140 1.00 0.00 C ATOM 401 CD GLN A 24 -0.489 20.060 0.243 1.00 0.00 C ATOM 402 OE1 GLN A 24 -1.458 20.612 0.727 1.00 0.00 O ATOM 403 NE2 GLN A 24 -0.346 20.009 -1.053 1.00 0.00 N ATOM 0 H GLN A 24 0.696 15.324 2.234 1.00 0.00 H new ATOM 0 HA GLN A 24 2.036 17.954 2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.587 17.593 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.730 18.552 2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.940 20.151 1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.427 19.106 0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.467 19.546 -1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.047 20.432 -1.661 1.00 0.00 H new ATOM 412 N GLY A 25 0.204 18.145 4.650 1.00 0.00 N ATOM 413 CA GLY A 25 -0.116 17.988 6.098 1.00 0.00 C ATOM 414 C GLY A 25 1.177 18.022 6.914 1.00 0.00 C ATOM 415 O GLY A 25 1.534 19.032 7.486 1.00 0.00 O ATOM 0 H GLY A 25 -0.070 19.038 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.784 18.786 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.639 17.047 6.265 1.00 0.00 H new ATOM 419 N GLY A 26 1.882 16.926 6.970 1.00 0.00 N ATOM 420 CA GLY A 26 3.154 16.896 7.746 1.00 0.00 C ATOM 421 C GLY A 26 4.185 16.054 6.993 1.00 0.00 C ATOM 422 O GLY A 26 4.117 14.841 6.977 1.00 0.00 O ATOM 0 H GLY A 26 1.632 16.050 6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.530 17.909 7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.979 16.477 8.737 1.00 0.00 H new ATOM 426 N GLN A 27 5.138 16.686 6.366 1.00 0.00 N ATOM 427 CA GLN A 27 6.169 15.920 5.613 1.00 0.00 C ATOM 428 C GLN A 27 6.971 15.051 6.584 1.00 0.00 C ATOM 429 O GLN A 27 8.021 14.538 6.251 1.00 0.00 O ATOM 430 CB GLN A 27 7.113 16.891 4.903 1.00 0.00 C ATOM 431 CG GLN A 27 7.612 16.255 3.604 1.00 0.00 C ATOM 432 CD GLN A 27 9.080 16.624 3.388 1.00 0.00 C ATOM 433 OE1 GLN A 27 9.437 17.171 2.364 1.00 0.00 O ATOM 434 NE2 GLN A 27 9.954 16.346 4.317 1.00 0.00 N ATOM 0 H GLN A 27 5.247 17.700 6.343 1.00 0.00 H new ATOM 0 HA GLN A 27 5.679 15.285 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.596 17.826 4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.956 17.134 5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.501 15.172 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.011 16.601 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.655 15.887 5.177 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.936 16.588 4.183 1.00 0.00 H new ATOM 443 N LYS A 28 6.485 14.877 7.783 1.00 0.00 N ATOM 444 CA LYS A 28 7.222 14.037 8.766 1.00 0.00 C ATOM 445 C LYS A 28 6.780 12.582 8.612 1.00 0.00 C ATOM 446 O LYS A 28 7.548 11.663 8.817 1.00 0.00 O ATOM 447 CB LYS A 28 6.911 14.518 10.186 1.00 0.00 C ATOM 448 CG LYS A 28 5.431 14.890 10.286 1.00 0.00 C ATOM 449 CD LYS A 28 5.083 15.223 11.740 1.00 0.00 C ATOM 450 CE LYS A 28 3.839 14.438 12.161 1.00 0.00 C ATOM 451 NZ LYS A 28 3.313 14.988 13.441 1.00 0.00 N ATOM 0 H LYS A 28 5.612 15.280 8.123 1.00 0.00 H new ATOM 0 HA LYS A 28 8.294 14.117 8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.150 13.736 10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.531 15.380 10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.216 15.745 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.813 14.064 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.921 14.974 12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.904 16.293 11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.076 14.502 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.085 13.383 12.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.467 14.454 13.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.041 14.905 14.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.063 15.989 13.312 1.00 0.00 H new ATOM 465 N ASN A 29 5.545 12.367 8.249 1.00 0.00 N ATOM 466 CA ASN A 29 5.054 10.972 8.079 1.00 0.00 C ATOM 467 C ASN A 29 5.429 10.470 6.683 1.00 0.00 C ATOM 468 O ASN A 29 5.759 9.317 6.495 1.00 0.00 O ATOM 469 CB ASN A 29 3.533 10.941 8.244 1.00 0.00 C ATOM 470 CG ASN A 29 3.157 11.481 9.625 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.537 10.920 10.634 1.00 0.00 O ATOM 472 ND2 ASN A 29 2.421 12.555 9.713 1.00 0.00 N ATOM 0 H ASN A 29 4.857 13.096 8.063 1.00 0.00 H new ATOM 0 HA ASN A 29 5.511 10.330 8.832 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.060 11.541 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.165 9.922 8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.165 12.924 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.102 13.026 8.866 1.00 0.00 H new ATOM 479 N MET A 30 5.384 11.331 5.702 1.00 0.00 N ATOM 480 CA MET A 30 5.741 10.905 4.320 1.00 0.00 C ATOM 481 C MET A 30 6.894 9.902 4.383 1.00 0.00 C ATOM 482 O MET A 30 6.996 9.005 3.572 1.00 0.00 O ATOM 483 CB MET A 30 6.168 12.126 3.505 1.00 0.00 C ATOM 484 CG MET A 30 7.075 11.683 2.355 1.00 0.00 C ATOM 485 SD MET A 30 6.934 12.861 0.988 1.00 0.00 S ATOM 486 CE MET A 30 8.650 12.755 0.425 1.00 0.00 C ATOM 0 H MET A 30 5.115 12.310 5.799 1.00 0.00 H new ATOM 0 HA MET A 30 4.878 10.438 3.846 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.290 12.639 3.112 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.693 12.836 4.143 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.109 11.626 2.695 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.794 10.685 2.020 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.794 13.415 -0.431 1.00 0.00 H new ATOM 0 HE2 MET A 30 9.317 13.057 1.232 1.00 0.00 H new ATOM 0 HE3 MET A 30 8.875 11.729 0.133 1.00 0.00 H new ATOM 496 N ASN A 31 7.763 10.049 5.346 1.00 0.00 N ATOM 497 CA ASN A 31 8.907 9.103 5.467 1.00 0.00 C ATOM 498 C ASN A 31 8.515 7.968 6.412 1.00 0.00 C ATOM 499 O ASN A 31 8.681 6.805 6.103 1.00 0.00 O ATOM 500 CB ASN A 31 10.125 9.841 6.028 1.00 0.00 C ATOM 501 CG ASN A 31 10.458 11.032 5.127 1.00 0.00 C ATOM 502 OD1 ASN A 31 11.612 11.323 4.888 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.488 11.736 4.614 1.00 0.00 N ATOM 0 H ASN A 31 7.730 10.783 6.053 1.00 0.00 H new ATOM 0 HA ASN A 31 9.155 8.697 4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.921 10.184 7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.978 9.165 6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.699 12.532 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.518 11.491 4.815 1.00 0.00 H new ATOM 510 N LYS A 32 7.987 8.297 7.560 1.00 0.00 N ATOM 511 CA LYS A 32 7.576 7.233 8.515 1.00 0.00 C ATOM 512 C LYS A 32 6.680 6.236 7.782 1.00 0.00 C ATOM 513 O LYS A 32 6.751 5.043 8.001 1.00 0.00 O ATOM 514 CB LYS A 32 6.806 7.857 9.680 1.00 0.00 C ATOM 515 CG LYS A 32 7.621 9.011 10.271 1.00 0.00 C ATOM 516 CD LYS A 32 8.218 8.580 11.612 1.00 0.00 C ATOM 517 CE LYS A 32 9.341 7.570 11.370 1.00 0.00 C ATOM 518 NZ LYS A 32 8.767 6.197 11.293 1.00 0.00 N ATOM 0 H LYS A 32 7.824 9.253 7.875 1.00 0.00 H new ATOM 0 HA LYS A 32 8.457 6.723 8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.837 8.220 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.612 7.106 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.416 9.299 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.986 9.886 10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.604 9.448 12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.445 8.137 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.866 7.809 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.073 7.625 12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.231 5.587 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.746 6.236 11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.922 5.809 10.341 1.00 0.00 H new ATOM 532 N VAL A 33 5.843 6.717 6.902 1.00 0.00 N ATOM 533 CA VAL A 33 4.953 5.799 6.141 1.00 0.00 C ATOM 534 C VAL A 33 5.791 5.056 5.101 1.00 0.00 C ATOM 535 O VAL A 33 5.717 3.850 4.977 1.00 0.00 O ATOM 536 CB VAL A 33 3.863 6.605 5.434 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.112 7.463 6.455 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.505 7.511 4.379 1.00 0.00 C ATOM 0 H VAL A 33 5.739 7.707 6.679 1.00 0.00 H new ATOM 0 HA VAL A 33 4.485 5.089 6.823 1.00 0.00 H new ATOM 0 HB VAL A 33 3.163 5.923 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.336 8.036 5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.655 6.818 7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.810 8.146 6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.730 8.087 3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.206 8.192 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.037 6.900 3.650 1.00 0.00 H new ATOM 548 N ASP A 34 6.595 5.770 4.359 1.00 0.00 N ATOM 549 CA ASP A 34 7.446 5.104 3.335 1.00 0.00 C ATOM 550 C ASP A 34 8.000 3.807 3.923 1.00 0.00 C ATOM 551 O ASP A 34 8.269 2.855 3.217 1.00 0.00 O ATOM 552 CB ASP A 34 8.598 6.035 2.946 1.00 0.00 C ATOM 553 CG ASP A 34 9.371 5.428 1.773 1.00 0.00 C ATOM 554 OD1 ASP A 34 8.764 4.704 1.000 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.557 5.696 1.667 1.00 0.00 O ATOM 0 H ASP A 34 6.698 6.783 4.419 1.00 0.00 H new ATOM 0 HA ASP A 34 6.856 4.880 2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.210 7.016 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.264 6.182 3.797 1.00 0.00 H new ATOM 560 N HIS A 35 8.159 3.757 5.220 1.00 0.00 N ATOM 561 CA HIS A 35 8.680 2.518 5.859 1.00 0.00 C ATOM 562 C HIS A 35 7.522 1.535 6.035 1.00 0.00 C ATOM 563 O HIS A 35 7.688 0.336 5.922 1.00 0.00 O ATOM 564 CB HIS A 35 9.279 2.853 7.226 1.00 0.00 C ATOM 565 CG HIS A 35 10.429 1.926 7.509 1.00 0.00 C ATOM 566 ND1 HIS A 35 10.790 0.907 6.639 1.00 0.00 N ATOM 567 CD2 HIS A 35 11.311 1.850 8.560 1.00 0.00 C ATOM 568 CE1 HIS A 35 11.847 0.269 7.176 1.00 0.00 C ATOM 569 NE2 HIS A 35 12.201 0.806 8.345 1.00 0.00 N ATOM 0 H HIS A 35 7.950 4.522 5.862 1.00 0.00 H new ATOM 0 HA HIS A 35 9.454 2.076 5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.620 3.888 7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.520 2.755 8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.312 2.502 9.421 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.346 -0.572 6.718 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.965 0.511 8.953 1.00 0.00 H new ATOM 578 N HIS A 36 6.346 2.038 6.302 1.00 0.00 N ATOM 579 CA HIS A 36 5.171 1.140 6.476 1.00 0.00 C ATOM 580 C HIS A 36 4.958 0.345 5.187 1.00 0.00 C ATOM 581 O HIS A 36 4.701 -0.842 5.213 1.00 0.00 O ATOM 582 CB HIS A 36 3.926 1.980 6.767 1.00 0.00 C ATOM 583 CG HIS A 36 3.729 2.090 8.254 1.00 0.00 C ATOM 584 ND1 HIS A 36 3.986 1.033 9.118 1.00 0.00 N ATOM 585 CD2 HIS A 36 3.302 3.127 9.048 1.00 0.00 C ATOM 586 CE1 HIS A 36 3.713 1.455 10.367 1.00 0.00 C ATOM 587 NE2 HIS A 36 3.293 2.721 10.377 1.00 0.00 N ATOM 0 H HIS A 36 6.150 3.033 6.407 1.00 0.00 H new ATOM 0 HA HIS A 36 5.348 0.457 7.307 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.034 2.973 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.050 1.523 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.017 4.107 8.694 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.821 0.844 11.251 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.022 3.275 11.190 1.00 0.00 H new ATOM 596 N LEU A 37 5.069 0.992 4.058 1.00 0.00 N ATOM 597 CA LEU A 37 4.878 0.274 2.767 1.00 0.00 C ATOM 598 C LEU A 37 6.121 -0.566 2.470 1.00 0.00 C ATOM 599 O LEU A 37 6.037 -1.755 2.239 1.00 0.00 O ATOM 600 CB LEU A 37 4.659 1.284 1.638 1.00 0.00 C ATOM 601 CG LEU A 37 3.376 2.074 1.905 1.00 0.00 C ATOM 602 CD1 LEU A 37 3.676 3.275 2.806 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.796 2.567 0.576 1.00 0.00 C ATOM 0 H LEU A 37 5.283 1.986 3.975 1.00 0.00 H new ATOM 0 HA LEU A 37 4.005 -0.375 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.510 1.962 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.588 0.767 0.681 1.00 0.00 H new ATOM 0 HG LEU A 37 2.655 1.426 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.756 3.831 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.085 2.925 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.401 3.925 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.882 3.130 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.522 3.210 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.571 1.712 -0.062 1.00 0.00 H new ATOM 615 N GLN A 38 7.279 0.039 2.479 1.00 0.00 N ATOM 616 CA GLN A 38 8.520 -0.737 2.201 1.00 0.00 C ATOM 617 C GLN A 38 8.395 -2.118 2.843 1.00 0.00 C ATOM 618 O GLN A 38 8.625 -3.131 2.213 1.00 0.00 O ATOM 619 CB GLN A 38 9.729 -0.007 2.792 1.00 0.00 C ATOM 620 CG GLN A 38 10.298 0.966 1.757 1.00 0.00 C ATOM 621 CD GLN A 38 11.622 1.537 2.268 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.657 2.219 3.272 1.00 0.00 O ATOM 623 NE2 GLN A 38 12.724 1.282 1.615 1.00 0.00 N ATOM 0 H GLN A 38 7.418 1.032 2.666 1.00 0.00 H new ATOM 0 HA GLN A 38 8.656 -0.839 1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.436 0.534 3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.492 -0.727 3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.453 0.454 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.589 1.773 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.696 0.709 0.771 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.613 1.656 1.949 1.00 0.00 H new ATOM 632 N ASN A 39 8.026 -2.166 4.094 1.00 0.00 N ATOM 633 CA ASN A 39 7.879 -3.482 4.776 1.00 0.00 C ATOM 634 C ASN A 39 6.711 -4.245 4.153 1.00 0.00 C ATOM 635 O ASN A 39 6.697 -5.460 4.123 1.00 0.00 O ATOM 636 CB ASN A 39 7.609 -3.260 6.266 1.00 0.00 C ATOM 637 CG ASN A 39 8.925 -2.957 6.984 1.00 0.00 C ATOM 638 OD1 ASN A 39 9.947 -2.771 6.353 1.00 0.00 O ATOM 639 ND2 ASN A 39 8.946 -2.900 8.289 1.00 0.00 N ATOM 0 H ASN A 39 7.820 -1.351 4.672 1.00 0.00 H new ATOM 0 HA ASN A 39 8.797 -4.059 4.658 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.911 -2.434 6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.143 -4.146 6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.819 -2.700 8.777 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.089 -3.056 8.820 1.00 0.00 H new ATOM 646 N VAL A 40 5.729 -3.545 3.651 1.00 0.00 N ATOM 647 CA VAL A 40 4.567 -4.239 3.029 1.00 0.00 C ATOM 648 C VAL A 40 4.875 -4.533 1.558 1.00 0.00 C ATOM 649 O VAL A 40 4.868 -5.671 1.135 1.00 0.00 O ATOM 650 CB VAL A 40 3.322 -3.358 3.133 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.102 -4.150 2.656 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.115 -2.946 4.592 1.00 0.00 C ATOM 0 H VAL A 40 5.682 -2.526 3.645 1.00 0.00 H new ATOM 0 HA VAL A 40 4.383 -5.177 3.553 1.00 0.00 H new ATOM 0 HB VAL A 40 3.449 -2.469 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.212 -3.525 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.248 -4.454 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.976 -5.035 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.228 -2.317 4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.984 -3.837 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.985 -2.390 4.940 1.00 0.00 H new ATOM 662 N ILE A 41 5.153 -3.525 0.772 1.00 0.00 N ATOM 663 CA ILE A 41 5.466 -3.781 -0.663 1.00 0.00 C ATOM 664 C ILE A 41 6.391 -4.992 -0.751 1.00 0.00 C ATOM 665 O ILE A 41 6.260 -5.827 -1.626 1.00 0.00 O ATOM 666 CB ILE A 41 6.162 -2.563 -1.278 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.445 -1.283 -0.832 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.117 -2.677 -2.803 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.526 -0.228 -1.939 1.00 0.00 C ATOM 0 H ILE A 41 5.177 -2.546 1.059 1.00 0.00 H new ATOM 0 HA ILE A 41 4.542 -3.970 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 41 7.200 -2.525 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.402 -1.501 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.900 -0.900 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.611 -1.813 -3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.629 -3.587 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.079 -2.712 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.015 0.679 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.571 -0.000 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.050 -0.611 -2.842 1.00 0.00 H new ATOM 681 N GLU A 42 7.320 -5.101 0.158 1.00 0.00 N ATOM 682 CA GLU A 42 8.248 -6.264 0.138 1.00 0.00 C ATOM 683 C GLU A 42 7.444 -7.542 0.369 1.00 0.00 C ATOM 684 O GLU A 42 7.773 -8.597 -0.135 1.00 0.00 O ATOM 685 CB GLU A 42 9.291 -6.109 1.247 1.00 0.00 C ATOM 686 CG GLU A 42 10.453 -7.074 0.998 1.00 0.00 C ATOM 687 CD GLU A 42 10.567 -8.053 2.168 1.00 0.00 C ATOM 688 OE1 GLU A 42 10.281 -7.648 3.282 1.00 0.00 O ATOM 689 OE2 GLU A 42 10.937 -9.190 1.928 1.00 0.00 O ATOM 0 H GLU A 42 7.476 -4.434 0.914 1.00 0.00 H new ATOM 0 HA GLU A 42 8.755 -6.314 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.657 -5.083 1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.838 -6.312 2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.293 -7.620 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.383 -6.517 0.885 1.00 0.00 H new ATOM 696 N ASP A 43 6.384 -7.451 1.124 1.00 0.00 N ATOM 697 CA ASP A 43 5.548 -8.655 1.383 1.00 0.00 C ATOM 698 C ASP A 43 4.934 -9.127 0.064 1.00 0.00 C ATOM 699 O ASP A 43 5.081 -10.267 -0.329 1.00 0.00 O ATOM 700 CB ASP A 43 4.434 -8.297 2.368 1.00 0.00 C ATOM 701 CG ASP A 43 3.739 -9.576 2.837 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.549 -10.458 2.016 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.410 -9.652 4.009 1.00 0.00 O ATOM 0 H ASP A 43 6.061 -6.594 1.573 1.00 0.00 H new ATOM 0 HA ASP A 43 6.162 -9.449 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.847 -7.761 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.713 -7.632 1.893 1.00 0.00 H new ATOM 708 N ILE A 44 4.256 -8.251 -0.628 1.00 0.00 N ATOM 709 CA ILE A 44 3.644 -8.644 -1.926 1.00 0.00 C ATOM 710 C ILE A 44 4.708 -9.304 -2.798 1.00 0.00 C ATOM 711 O ILE A 44 4.545 -10.414 -3.264 1.00 0.00 O ATOM 712 CB ILE A 44 3.112 -7.399 -2.632 1.00 0.00 C ATOM 713 CG1 ILE A 44 1.887 -6.875 -1.882 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.719 -7.757 -4.066 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.059 -5.382 -1.603 1.00 0.00 C ATOM 0 H ILE A 44 4.101 -7.282 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 44 2.825 -9.341 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 44 3.884 -6.630 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.986 -7.044 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.761 -7.418 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.339 -6.869 -4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.592 -8.133 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.945 -8.525 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.186 -5.009 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.950 -5.226 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.164 -4.845 -2.546 1.00 0.00 H new ATOM 727 N HIS A 45 5.806 -8.634 -3.016 1.00 0.00 N ATOM 728 CA HIS A 45 6.883 -9.232 -3.847 1.00 0.00 C ATOM 729 C HIS A 45 7.201 -10.622 -3.303 1.00 0.00 C ATOM 730 O HIS A 45 7.623 -11.505 -4.023 1.00 0.00 O ATOM 731 CB HIS A 45 8.135 -8.355 -3.775 1.00 0.00 C ATOM 732 CG HIS A 45 8.867 -8.419 -5.087 1.00 0.00 C ATOM 733 ND1 HIS A 45 8.899 -9.570 -5.862 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.598 -7.482 -5.775 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.626 -9.300 -6.961 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.074 -8.044 -6.955 1.00 0.00 N ATOM 0 H HIS A 45 6.002 -7.700 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 45 6.558 -9.302 -4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 45 7.858 -7.325 -3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.784 -8.694 -2.967 1.00 0.00 H new ATOM 0 HD1 HIS A 45 8.452 -10.459 -5.639 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.776 -6.467 -5.451 1.00 0.00 H new ATOM 0 HE1 HIS A 45 9.822 -10.011 -7.750 1.00 0.00 H new ATOM 745 N ASP A 46 6.993 -10.822 -2.030 1.00 0.00 N ATOM 746 CA ASP A 46 7.271 -12.153 -1.427 1.00 0.00 C ATOM 747 C ASP A 46 6.054 -13.058 -1.618 1.00 0.00 C ATOM 748 O ASP A 46 6.106 -14.246 -1.367 1.00 0.00 O ATOM 749 CB ASP A 46 7.555 -11.986 0.070 1.00 0.00 C ATOM 750 CG ASP A 46 8.849 -12.717 0.433 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.833 -12.516 -0.259 1.00 0.00 O ATOM 752 OD2 ASP A 46 8.834 -13.464 1.397 1.00 0.00 O ATOM 0 H ASP A 46 6.641 -10.118 -1.381 1.00 0.00 H new ATOM 0 HA ASP A 46 8.138 -12.601 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.642 -10.928 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.725 -12.383 0.654 1.00 0.00 H new ATOM 757 N PHE A 47 4.953 -12.508 -2.061 1.00 0.00 N ATOM 758 CA PHE A 47 3.737 -13.345 -2.266 1.00 0.00 C ATOM 759 C PHE A 47 3.809 -13.996 -3.647 1.00 0.00 C ATOM 760 O PHE A 47 3.042 -14.880 -3.971 1.00 0.00 O ATOM 761 CB PHE A 47 2.486 -12.460 -2.164 1.00 0.00 C ATOM 762 CG PHE A 47 1.221 -13.253 -2.454 1.00 0.00 C ATOM 763 CD1 PHE A 47 1.096 -14.595 -2.054 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.155 -12.626 -3.117 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.084 -15.300 -2.320 1.00 0.00 C ATOM 766 CE2 PHE A 47 -1.024 -13.336 -3.380 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.142 -14.671 -2.984 1.00 0.00 C ATOM 0 H PHE A 47 4.845 -11.520 -2.288 1.00 0.00 H new ATOM 0 HA PHE A 47 3.684 -14.122 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.425 -12.027 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.567 -11.631 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.911 -15.083 -1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.243 -11.595 -3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.177 -16.331 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.843 -12.851 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.050 -15.217 -3.191 1.00 0.00 H new ATOM 777 N MET A 48 4.737 -13.567 -4.459 1.00 0.00 N ATOM 778 CA MET A 48 4.875 -14.157 -5.819 1.00 0.00 C ATOM 779 C MET A 48 5.894 -15.297 -5.768 1.00 0.00 C ATOM 780 O MET A 48 5.881 -16.193 -6.589 1.00 0.00 O ATOM 781 CB MET A 48 5.363 -13.084 -6.796 1.00 0.00 C ATOM 782 CG MET A 48 5.138 -11.696 -6.190 1.00 0.00 C ATOM 783 SD MET A 48 5.299 -10.438 -7.483 1.00 0.00 S ATOM 784 CE MET A 48 6.852 -11.033 -8.195 1.00 0.00 C ATOM 0 H MET A 48 5.407 -12.831 -4.237 1.00 0.00 H new ATOM 0 HA MET A 48 3.910 -14.538 -6.153 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.421 -13.230 -7.013 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.829 -13.170 -7.742 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.148 -11.642 -5.736 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.863 -11.512 -5.397 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.315 -10.236 -8.777 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.527 -11.336 -7.394 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.652 -11.886 -8.843 1.00 0.00 H new ATOM 794 N GLN A 49 6.779 -15.269 -4.807 1.00 0.00 N ATOM 795 CA GLN A 49 7.801 -16.347 -4.697 1.00 0.00 C ATOM 796 C GLN A 49 7.452 -17.261 -3.523 1.00 0.00 C ATOM 797 O GLN A 49 7.654 -18.458 -3.574 1.00 0.00 O ATOM 798 CB GLN A 49 9.178 -15.727 -4.461 1.00 0.00 C ATOM 799 CG GLN A 49 9.118 -14.793 -3.248 1.00 0.00 C ATOM 800 CD GLN A 49 9.591 -15.543 -2.001 1.00 0.00 C ATOM 801 OE1 GLN A 49 10.479 -16.369 -2.074 1.00 0.00 O ATOM 802 NE2 GLN A 49 9.033 -15.286 -0.849 1.00 0.00 N ATOM 0 H GLN A 49 6.837 -14.543 -4.092 1.00 0.00 H new ATOM 0 HA GLN A 49 7.816 -16.925 -5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.917 -16.510 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.495 -15.173 -5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.745 -13.918 -3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.100 -14.432 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.287 -14.593 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.343 -15.779 -0.011 1.00 0.00 H new ATOM 811 N GLY A 50 6.926 -16.707 -2.466 1.00 0.00 N ATOM 812 CA GLY A 50 6.562 -17.547 -1.292 1.00 0.00 C ATOM 813 C GLY A 50 5.733 -18.741 -1.764 1.00 0.00 C ATOM 814 O GLY A 50 5.374 -19.605 -0.989 1.00 0.00 O ATOM 0 H GLY A 50 6.733 -15.711 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.462 -17.893 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.995 -16.958 -0.571 1.00 0.00 H new ATOM 818 N GLY A 51 5.426 -18.795 -3.031 1.00 0.00 N ATOM 819 CA GLY A 51 4.621 -19.934 -3.555 1.00 0.00 C ATOM 820 C GLY A 51 3.184 -19.826 -3.043 1.00 0.00 C ATOM 821 O GLY A 51 2.251 -20.262 -3.688 1.00 0.00 O ATOM 0 H GLY A 51 5.698 -18.100 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.631 -19.928 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.061 -20.880 -3.237 1.00 0.00 H new ATOM 825 N GLY A 52 2.996 -19.249 -1.888 1.00 0.00 N ATOM 826 CA GLY A 52 1.617 -19.117 -1.340 1.00 0.00 C ATOM 827 C GLY A 52 1.684 -19.018 0.185 1.00 0.00 C ATOM 828 O GLY A 52 1.278 -19.918 0.894 1.00 0.00 O ATOM 0 H GLY A 52 3.736 -18.864 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.133 -18.231 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.013 -19.976 -1.634 1.00 0.00 H new ATOM 832 N SER A 53 2.194 -17.932 0.694 1.00 0.00 N ATOM 833 CA SER A 53 2.290 -17.774 2.171 1.00 0.00 C ATOM 834 C SER A 53 1.094 -16.965 2.678 1.00 0.00 C ATOM 835 O SER A 53 1.248 -15.984 3.377 1.00 0.00 O ATOM 836 CB SER A 53 3.586 -17.044 2.521 1.00 0.00 C ATOM 837 OG SER A 53 4.503 -17.172 1.443 1.00 0.00 O ATOM 0 H SER A 53 2.549 -17.146 0.150 1.00 0.00 H new ATOM 0 HA SER A 53 2.288 -18.757 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.382 -15.991 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.017 -17.460 3.432 1.00 0.00 H new ATOM 0 HG SER A 53 5.335 -16.703 1.664 1.00 0.00 H new ATOM 843 N GLY A 54 -0.098 -17.371 2.333 1.00 0.00 N ATOM 844 CA GLY A 54 -1.300 -16.626 2.797 1.00 0.00 C ATOM 845 C GLY A 54 -1.140 -16.272 4.276 1.00 0.00 C ATOM 846 O GLY A 54 -1.884 -15.480 4.819 1.00 0.00 O ATOM 0 H GLY A 54 -0.290 -18.186 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.429 -15.719 2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.195 -17.231 2.651 1.00 0.00 H new ATOM 850 N GLY A 55 -0.170 -16.851 4.930 1.00 0.00 N ATOM 851 CA GLY A 55 0.044 -16.546 6.372 1.00 0.00 C ATOM 852 C GLY A 55 1.003 -15.364 6.501 1.00 0.00 C ATOM 853 O GLY A 55 0.870 -14.537 7.381 1.00 0.00 O ATOM 0 H GLY A 55 0.484 -17.522 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.907 -16.312 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.452 -17.418 6.883 1.00 0.00 H new ATOM 857 N LYS A 56 1.967 -15.276 5.626 1.00 0.00 N ATOM 858 CA LYS A 56 2.931 -14.144 5.697 1.00 0.00 C ATOM 859 C LYS A 56 2.287 -12.899 5.090 1.00 0.00 C ATOM 860 O LYS A 56 2.650 -11.784 5.405 1.00 0.00 O ATOM 861 CB LYS A 56 4.200 -14.501 4.919 1.00 0.00 C ATOM 862 CG LYS A 56 5.400 -13.786 5.545 1.00 0.00 C ATOM 863 CD LYS A 56 5.929 -14.610 6.721 1.00 0.00 C ATOM 864 CE LYS A 56 6.476 -13.669 7.796 1.00 0.00 C ATOM 865 NZ LYS A 56 5.355 -13.177 8.645 1.00 0.00 N ATOM 0 H LYS A 56 2.128 -15.938 4.867 1.00 0.00 H new ATOM 0 HA LYS A 56 3.193 -13.949 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.357 -15.579 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.093 -14.209 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.184 -13.650 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.108 -12.793 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.132 -15.228 7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.713 -15.287 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.210 -14.190 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.990 -12.828 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.728 -12.537 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.670 -12.665 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.884 -13.985 9.100 1.00 0.00 H new ATOM 879 N LEU A 57 1.323 -13.081 4.229 1.00 0.00 N ATOM 880 CA LEU A 57 0.649 -11.907 3.618 1.00 0.00 C ATOM 881 C LEU A 57 -0.310 -11.300 4.636 1.00 0.00 C ATOM 882 O LEU A 57 -0.188 -10.155 5.017 1.00 0.00 O ATOM 883 CB LEU A 57 -0.146 -12.342 2.390 1.00 0.00 C ATOM 884 CG LEU A 57 -0.460 -11.116 1.535 1.00 0.00 C ATOM 885 CD1 LEU A 57 -1.018 -11.567 0.189 1.00 0.00 C ATOM 886 CD2 LEU A 57 -1.498 -10.249 2.249 1.00 0.00 C ATOM 0 H LEU A 57 0.976 -13.991 3.925 1.00 0.00 H new ATOM 0 HA LEU A 57 1.401 -11.176 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.425 -13.068 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.070 -12.834 2.695 1.00 0.00 H new ATOM 0 HG LEU A 57 0.451 -10.539 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.243 -10.693 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.281 -12.187 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.930 -12.143 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.722 -9.374 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.409 -10.826 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.103 -9.928 3.213 1.00 0.00 H new ATOM 898 N GLN A 58 -1.265 -12.065 5.085 1.00 0.00 N ATOM 899 CA GLN A 58 -2.225 -11.529 6.080 1.00 0.00 C ATOM 900 C GLN A 58 -1.439 -10.799 7.168 1.00 0.00 C ATOM 901 O GLN A 58 -1.983 -10.028 7.934 1.00 0.00 O ATOM 902 CB GLN A 58 -3.024 -12.679 6.698 1.00 0.00 C ATOM 903 CG GLN A 58 -3.937 -13.293 5.636 1.00 0.00 C ATOM 904 CD GLN A 58 -4.856 -12.212 5.061 1.00 0.00 C ATOM 905 OE1 GLN A 58 -5.948 -12.004 5.550 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.456 -11.511 4.034 1.00 0.00 N ATOM 0 H GLN A 58 -1.419 -13.034 4.806 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.919 -10.840 5.598 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.346 -13.436 7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.617 -12.314 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.339 -13.737 4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.532 -14.095 6.073 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.539 -11.686 3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.061 -10.789 3.643 1.00 0.00 H new ATOM 915 N GLU A 59 -0.156 -11.033 7.231 1.00 0.00 N ATOM 916 CA GLU A 59 0.680 -10.351 8.256 1.00 0.00 C ATOM 917 C GLU A 59 0.756 -8.862 7.924 1.00 0.00 C ATOM 918 O GLU A 59 0.379 -8.020 8.715 1.00 0.00 O ATOM 919 CB GLU A 59 2.088 -10.949 8.252 1.00 0.00 C ATOM 920 CG GLU A 59 2.533 -11.220 9.690 1.00 0.00 C ATOM 921 CD GLU A 59 2.789 -9.891 10.404 1.00 0.00 C ATOM 922 OE1 GLU A 59 3.635 -9.144 9.940 1.00 0.00 O ATOM 923 OE2 GLU A 59 2.136 -9.644 11.405 1.00 0.00 O ATOM 0 H GLU A 59 0.349 -11.669 6.614 1.00 0.00 H new ATOM 0 HA GLU A 59 0.237 -10.487 9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.100 -11.874 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.784 -10.264 7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.767 -11.787 10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.438 -11.827 9.694 1.00 0.00 H new ATOM 930 N MET A 60 1.231 -8.525 6.754 1.00 0.00 N ATOM 931 CA MET A 60 1.315 -7.089 6.376 1.00 0.00 C ATOM 932 C MET A 60 -0.103 -6.543 6.202 1.00 0.00 C ATOM 933 O MET A 60 -0.364 -5.380 6.436 1.00 0.00 O ATOM 934 CB MET A 60 2.091 -6.942 5.064 1.00 0.00 C ATOM 935 CG MET A 60 1.234 -7.439 3.900 1.00 0.00 C ATOM 936 SD MET A 60 0.015 -6.175 3.464 1.00 0.00 S ATOM 937 CE MET A 60 -0.540 -6.921 1.914 1.00 0.00 C ATOM 0 H MET A 60 1.563 -9.182 6.048 1.00 0.00 H new ATOM 0 HA MET A 60 1.834 -6.531 7.156 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.365 -5.899 4.907 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.019 -7.511 5.114 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.865 -7.663 3.040 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.730 -8.365 4.175 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.338 -6.238 1.089 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.007 -7.857 1.749 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.611 -7.118 1.968 1.00 0.00 H new ATOM 947 N MET A 61 -1.024 -7.379 5.801 1.00 0.00 N ATOM 948 CA MET A 61 -2.427 -6.912 5.620 1.00 0.00 C ATOM 949 C MET A 61 -2.778 -5.942 6.748 1.00 0.00 C ATOM 950 O MET A 61 -3.326 -4.881 6.521 1.00 0.00 O ATOM 951 CB MET A 61 -3.378 -8.112 5.663 1.00 0.00 C ATOM 952 CG MET A 61 -4.825 -7.625 5.548 1.00 0.00 C ATOM 953 SD MET A 61 -5.951 -9.005 5.875 1.00 0.00 S ATOM 954 CE MET A 61 -6.238 -8.658 7.628 1.00 0.00 C ATOM 0 H MET A 61 -0.864 -8.364 5.591 1.00 0.00 H new ATOM 0 HA MET A 61 -2.526 -6.411 4.657 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.149 -8.799 4.849 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.242 -8.663 6.593 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.006 -6.817 6.257 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.006 -7.221 4.552 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.919 -9.403 8.040 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.291 -8.695 8.166 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.677 -7.666 7.735 1.00 0.00 H new ATOM 964 N LYS A 62 -2.458 -6.295 7.963 1.00 0.00 N ATOM 965 CA LYS A 62 -2.765 -5.390 9.105 1.00 0.00 C ATOM 966 C LYS A 62 -1.901 -4.136 8.987 1.00 0.00 C ATOM 967 O LYS A 62 -2.344 -3.037 9.256 1.00 0.00 O ATOM 968 CB LYS A 62 -2.460 -6.105 10.423 1.00 0.00 C ATOM 969 CG LYS A 62 -0.962 -6.015 10.722 1.00 0.00 C ATOM 970 CD LYS A 62 -0.608 -6.997 11.841 1.00 0.00 C ATOM 971 CE LYS A 62 0.907 -6.997 12.061 1.00 0.00 C ATOM 972 NZ LYS A 62 1.261 -8.041 13.064 1.00 0.00 N ATOM 0 H LYS A 62 -1.998 -7.170 8.213 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.819 -5.114 9.086 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.031 -5.653 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.767 -7.149 10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.386 -6.245 9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.699 -4.999 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.120 -6.716 12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.948 -7.999 11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.422 -7.191 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.235 -6.017 12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.885 -7.630 13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.394 -8.396 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.751 -8.826 12.590 1.00 0.00 H new ATOM 986 N GLU A 63 -0.672 -4.289 8.577 1.00 0.00 N ATOM 987 CA GLU A 63 0.213 -3.102 8.430 1.00 0.00 C ATOM 988 C GLU A 63 -0.253 -2.288 7.224 1.00 0.00 C ATOM 989 O GLU A 63 0.079 -1.129 7.074 1.00 0.00 O ATOM 990 CB GLU A 63 1.658 -3.560 8.213 1.00 0.00 C ATOM 991 CG GLU A 63 2.606 -2.383 8.445 1.00 0.00 C ATOM 992 CD GLU A 63 2.495 -1.911 9.896 1.00 0.00 C ATOM 993 OE1 GLU A 63 3.008 -2.601 10.762 1.00 0.00 O ATOM 994 OE2 GLU A 63 1.901 -0.870 10.116 1.00 0.00 O ATOM 0 H GLU A 63 -0.244 -5.183 8.338 1.00 0.00 H new ATOM 0 HA GLU A 63 0.166 -2.491 9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.899 -4.375 8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.781 -3.945 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.632 -2.681 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.360 -1.566 7.767 1.00 0.00 H new ATOM 1001 N PHE A 64 -1.032 -2.888 6.364 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.534 -2.153 5.171 1.00 0.00 C ATOM 1003 C PHE A 64 -2.646 -1.200 5.608 1.00 0.00 C ATOM 1004 O PHE A 64 -2.638 -0.027 5.291 1.00 0.00 O ATOM 1005 CB PHE A 64 -2.100 -3.151 4.158 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.780 -2.694 2.753 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.739 -1.327 2.451 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.520 -3.639 1.754 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.436 -0.908 1.151 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.218 -3.218 0.453 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.175 -1.853 0.152 1.00 0.00 C ATOM 0 H PHE A 64 -1.342 -3.857 6.438 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.718 -1.593 4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.677 -4.140 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.179 -3.239 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.941 -0.597 3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.552 -4.693 1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.403 0.146 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.018 -3.948 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.940 -1.528 -0.851 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.607 -1.702 6.339 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.725 -0.836 6.804 1.00 0.00 C ATOM 1023 C GLN A 65 -4.166 0.310 7.646 1.00 0.00 C ATOM 1024 O GLN A 65 -4.872 1.233 8.003 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.693 -1.665 7.652 1.00 0.00 C ATOM 1026 CG GLN A 65 -7.092 -1.050 7.581 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.984 -1.916 6.691 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -8.795 -1.407 5.944 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -7.866 -3.216 6.739 1.00 0.00 N ATOM 0 H GLN A 65 -3.664 -2.677 6.633 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.252 -0.430 5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.718 -2.694 7.293 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.351 -1.697 8.686 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.520 -0.976 8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.036 -0.037 7.182 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.185 -3.643 7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.455 -3.804 6.149 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.901 0.268 7.961 1.00 0.00 N ATOM 1039 CA GLN A 66 -2.305 1.364 8.771 1.00 0.00 C ATOM 1040 C GLN A 66 -2.040 2.550 7.853 1.00 0.00 C ATOM 1041 O GLN A 66 -2.346 3.681 8.173 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.991 0.894 9.398 1.00 0.00 C ATOM 1043 CG GLN A 66 -1.275 0.237 10.749 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.376 1.317 11.828 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -2.238 1.259 12.684 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -0.527 2.308 11.824 1.00 0.00 N ATOM 0 H GLN A 66 -2.257 -0.476 7.693 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.989 1.651 9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.493 0.186 8.735 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.315 1.739 9.528 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.203 -0.332 10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.481 -0.468 10.997 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.196 2.357 11.106 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.587 3.033 12.539 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.491 2.293 6.698 1.00 0.00 N ATOM 1056 CA VAL A 67 -1.222 3.394 5.737 1.00 0.00 C ATOM 1057 C VAL A 67 -2.559 3.926 5.235 1.00 0.00 C ATOM 1058 O VAL A 67 -2.767 5.116 5.116 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.424 2.843 4.557 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.516 3.921 4.012 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.395 1.644 5.021 1.00 0.00 C ATOM 0 H VAL A 67 -1.217 1.364 6.379 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.655 4.190 6.219 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.112 2.538 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.081 3.520 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.068 4.779 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.205 4.233 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.966 1.247 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.079 1.954 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.274 0.872 5.402 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.466 3.040 4.943 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.798 3.466 4.448 1.00 0.00 C ATOM 1073 C LEU A 68 -5.400 4.492 5.414 1.00 0.00 C ATOM 1074 O LEU A 68 -5.994 5.469 5.007 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.706 2.235 4.356 1.00 0.00 C ATOM 1076 CG LEU A 68 -7.108 2.645 3.902 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.851 3.315 5.060 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -7.005 3.621 2.727 1.00 0.00 C ATOM 0 H LEU A 68 -3.339 2.031 5.027 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.703 3.924 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.285 1.515 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.760 1.741 5.326 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.656 1.757 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.849 3.605 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.931 2.617 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.302 4.201 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.006 3.911 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.452 4.508 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.484 3.140 1.899 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.244 4.276 6.693 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.802 5.236 7.688 1.00 0.00 C ATOM 1092 C ASP A 69 -4.776 6.335 7.978 1.00 0.00 C ATOM 1093 O ASP A 69 -5.089 7.348 8.570 1.00 0.00 O ATOM 1094 CB ASP A 69 -6.133 4.489 8.985 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.060 5.456 10.171 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -7.035 6.149 10.407 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -5.030 5.483 10.825 1.00 0.00 O ATOM 0 H ASP A 69 -4.754 3.475 7.091 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.708 5.688 7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.130 4.052 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.433 3.666 9.131 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.550 6.142 7.569 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.510 7.179 7.828 1.00 0.00 C ATOM 1104 C GLU A 70 -2.622 8.293 6.790 1.00 0.00 C ATOM 1105 O GLU A 70 -3.029 9.396 7.096 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.119 6.546 7.746 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.146 7.335 8.625 1.00 0.00 C ATOM 1108 CD GLU A 70 1.150 6.540 8.795 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.182 5.397 8.372 1.00 0.00 O ATOM 1110 OE2 GLU A 70 2.089 7.089 9.349 1.00 0.00 O ATOM 0 H GLU A 70 -3.225 5.315 7.069 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.662 7.595 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.161 5.507 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.770 6.541 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.066 8.303 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.596 7.530 9.599 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.265 8.022 5.566 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.360 9.085 4.531 1.00 0.00 C ATOM 1119 C ILE A 71 -3.764 9.689 4.572 1.00 0.00 C ATOM 1120 O ILE A 71 -3.939 10.883 4.430 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.087 8.502 3.141 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.390 7.143 3.269 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.182 9.461 2.363 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.643 6.826 1.972 1.00 0.00 C ATOM 0 H ILE A 71 -1.915 7.121 5.241 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.616 9.856 4.734 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.033 8.371 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.694 7.157 4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.124 6.365 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.984 9.051 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.676 10.428 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.241 9.588 2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.148 5.859 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.350 6.794 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.102 7.599 1.783 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.764 8.876 4.781 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.154 9.408 4.846 1.00 0.00 C ATOM 1138 C LYS A 72 -6.169 10.649 5.740 1.00 0.00 C ATOM 1139 O LYS A 72 -6.900 11.591 5.502 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.082 8.340 5.433 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.427 8.971 5.803 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.362 7.891 6.352 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.776 8.117 5.816 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.075 9.577 5.801 1.00 0.00 N ATOM 0 H LYS A 72 -4.678 7.868 4.909 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.498 9.671 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.232 7.538 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.625 7.892 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.281 9.754 6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.873 9.443 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.005 6.904 6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.366 7.919 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.865 7.707 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.501 7.593 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.104 9.721 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.632 10.031 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.698 10.000 4.929 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.362 10.659 6.765 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.320 11.840 7.670 1.00 0.00 C ATOM 1160 C GLN A 73 -4.657 13.003 6.934 1.00 0.00 C ATOM 1161 O GLN A 73 -5.047 14.146 7.069 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.504 11.495 8.921 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.374 11.672 10.167 1.00 0.00 C ATOM 1164 CD GLN A 73 -4.593 11.221 11.403 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -3.422 11.515 11.538 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -5.198 10.515 12.320 1.00 0.00 N ATOM 0 H GLN A 73 -4.729 9.899 7.014 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.332 12.117 7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.143 10.468 8.860 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.626 12.138 8.984 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.670 12.716 10.272 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.290 11.089 10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.181 10.268 12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.687 10.211 13.149 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.652 12.714 6.153 1.00 0.00 N ATOM 1176 CA GLN A 74 -2.952 13.794 5.400 1.00 0.00 C ATOM 1177 C GLN A 74 -3.961 14.576 4.556 1.00 0.00 C ATOM 1178 O GLN A 74 -3.737 15.718 4.207 1.00 0.00 O ATOM 1179 CB GLN A 74 -1.902 13.168 4.479 1.00 0.00 C ATOM 1180 CG GLN A 74 -0.591 13.943 4.605 1.00 0.00 C ATOM 1181 CD GLN A 74 0.034 13.674 5.974 1.00 0.00 C ATOM 1182 OE1 GLN A 74 -0.361 12.757 6.667 1.00 0.00 O ATOM 1183 NE2 GLN A 74 1.001 14.441 6.396 1.00 0.00 N ATOM 0 H GLN A 74 -3.285 11.774 6.003 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.470 14.471 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.746 12.122 4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.250 13.186 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.097 13.644 3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.774 15.010 4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.332 15.211 5.814 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.426 14.271 7.308 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.067 13.971 4.222 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.083 14.683 3.396 1.00 0.00 C ATOM 1194 C LEU A 75 -6.592 15.914 4.150 1.00 0.00 C ATOM 1195 O LEU A 75 -7.414 16.659 3.655 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.254 13.741 3.111 1.00 0.00 C ATOM 1197 CG LEU A 75 -6.937 12.886 1.883 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.756 13.787 0.659 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.649 12.100 2.132 1.00 0.00 C ATOM 0 H LEU A 75 -5.311 13.016 4.485 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.629 14.999 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.438 13.102 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.164 14.317 2.941 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.759 12.194 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.530 13.174 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.674 14.348 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.935 14.482 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.421 11.490 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.829 12.794 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.779 11.455 3.001 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.111 16.137 5.343 1.00 0.00 N ATOM 1212 CA GLN A 76 -6.573 17.322 6.121 1.00 0.00 C ATOM 1213 C GLN A 76 -5.752 18.551 5.720 1.00 0.00 C ATOM 1214 O GLN A 76 -5.168 19.217 6.552 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.390 17.055 7.617 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.643 16.375 8.173 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.709 14.935 7.663 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -7.636 14.001 8.437 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -7.846 14.713 6.384 1.00 0.00 N ATOM 0 H GLN A 76 -5.420 15.551 5.812 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.627 17.504 5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.518 16.422 7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.207 17.991 8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.623 16.386 9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.534 16.922 7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.907 15.497 5.734 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.892 13.756 6.035 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.701 18.858 4.450 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.915 20.043 4.002 1.00 0.00 C ATOM 1230 C GLY A 77 -5.119 20.258 2.501 1.00 0.00 C ATOM 1231 O GLY A 77 -6.197 20.062 1.976 1.00 0.00 O ATOM 0 H GLY A 77 -6.169 18.340 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.230 20.930 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.857 19.893 4.217 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.091 20.662 1.806 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.225 20.891 0.339 1.00 0.00 C ATOM 1237 C GLY A 78 -3.838 19.619 -0.416 1.00 0.00 C ATOM 1238 O GLY A 78 -3.775 19.601 -1.630 1.00 0.00 O ATOM 0 H GLY A 78 -3.164 20.843 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.250 21.172 0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.586 21.718 0.030 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.581 18.552 0.291 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.202 17.279 -0.385 1.00 0.00 C ATOM 1244 C ASP A 79 -4.388 16.769 -1.207 1.00 0.00 C ATOM 1245 O ASP A 79 -4.593 15.579 -1.346 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.822 16.234 0.669 1.00 0.00 C ATOM 1247 CG ASP A 79 -2.864 16.872 2.060 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -3.860 17.503 2.372 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -1.898 16.717 2.789 1.00 0.00 O ATOM 0 H ASP A 79 -3.617 18.507 1.309 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.351 17.454 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.510 15.390 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.825 15.844 0.466 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.171 17.660 -1.750 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.344 17.225 -2.562 1.00 0.00 C ATOM 1256 C ASN A 80 -5.882 16.230 -3.626 1.00 0.00 C ATOM 1257 O ASN A 80 -6.676 15.686 -4.369 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.977 18.444 -3.235 1.00 0.00 C ATOM 1259 CG ASN A 80 -7.343 19.481 -2.171 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -8.303 19.310 -1.446 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -6.613 20.555 -2.044 1.00 0.00 N ATOM 0 H ASN A 80 -5.050 18.669 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.081 16.747 -1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.283 18.876 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.867 18.146 -3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.848 21.251 -1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.807 20.699 -2.652 1.00 0.00 H new ATOM 1268 N SER A 81 -4.607 15.974 -3.693 1.00 0.00 N ATOM 1269 CA SER A 81 -4.094 15.002 -4.691 1.00 0.00 C ATOM 1270 C SER A 81 -4.229 13.611 -4.092 1.00 0.00 C ATOM 1271 O SER A 81 -4.705 12.691 -4.724 1.00 0.00 O ATOM 1272 CB SER A 81 -2.627 15.298 -4.987 1.00 0.00 C ATOM 1273 OG SER A 81 -2.068 14.220 -5.726 1.00 0.00 O ATOM 0 H SER A 81 -3.897 16.399 -3.097 1.00 0.00 H new ATOM 0 HA SER A 81 -4.657 15.073 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.539 16.226 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.078 15.439 -4.056 1.00 0.00 H new ATOM 0 HG SER A 81 -2.038 14.456 -6.677 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.839 13.463 -2.858 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.975 12.142 -2.202 1.00 0.00 C ATOM 1281 C LEU A 82 -5.425 11.704 -2.354 1.00 0.00 C ATOM 1282 O LEU A 82 -5.728 10.546 -2.562 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.622 12.270 -0.724 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.167 11.858 -0.524 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.300 12.493 -1.610 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.686 12.333 0.844 1.00 0.00 C ATOM 0 H LEU A 82 -3.434 14.199 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.306 11.410 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.772 13.296 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.278 11.639 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.089 10.772 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.261 12.197 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.640 12.157 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.380 13.578 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.646 12.038 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.767 13.418 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.301 11.882 1.623 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.323 12.644 -2.273 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.763 12.321 -2.433 1.00 0.00 C ATOM 1300 C HIS A 83 -7.919 11.388 -3.632 1.00 0.00 C ATOM 1301 O HIS A 83 -8.861 10.626 -3.724 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.547 13.614 -2.681 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.948 13.464 -2.156 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.283 12.518 -1.197 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -11.111 14.136 -2.444 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.600 12.645 -0.945 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -12.148 13.616 -1.679 1.00 0.00 N ATOM 0 H HIS A 83 -6.118 13.628 -2.102 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.145 11.838 -1.534 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.052 14.451 -2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.570 13.838 -3.747 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.205 14.944 -3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.145 12.037 -0.238 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.124 13.914 -1.678 1.00 0.00 H new ATOM 1316 N ASN A 84 -6.992 11.441 -4.552 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.076 10.554 -5.747 1.00 0.00 C ATOM 1318 C ASN A 84 -6.240 9.296 -5.501 1.00 0.00 C ATOM 1319 O ASN A 84 -6.490 8.252 -6.070 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.552 11.297 -6.981 1.00 0.00 C ATOM 1321 CG ASN A 84 -5.023 11.231 -7.020 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -4.390 10.929 -6.030 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -4.398 11.502 -8.134 1.00 0.00 N ATOM 0 H ASN A 84 -6.182 12.060 -4.527 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.114 10.271 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.967 10.854 -7.886 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.879 12.336 -6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.380 11.460 -8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.928 11.756 -8.967 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.257 9.383 -4.648 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.414 8.188 -4.355 1.00 0.00 C ATOM 1332 C VAL A 85 -4.892 7.564 -3.046 1.00 0.00 C ATOM 1333 O VAL A 85 -5.119 6.374 -2.958 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.954 8.622 -4.221 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -2.214 7.685 -3.263 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.284 8.576 -5.595 1.00 0.00 C ATOM 0 H VAL A 85 -5.000 10.230 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.497 7.459 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.917 9.637 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.175 8.002 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.689 7.718 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.251 6.666 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.243 8.885 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.328 7.560 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.803 9.250 -6.276 1.00 0.00 H new ATOM 1346 N HIS A 86 -5.062 8.360 -2.029 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.539 7.808 -0.732 1.00 0.00 C ATOM 1348 C HIS A 86 -6.756 6.926 -1.004 1.00 0.00 C ATOM 1349 O HIS A 86 -7.117 6.080 -0.210 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.919 8.960 0.206 1.00 0.00 C ATOM 1351 CG HIS A 86 -7.065 8.542 1.088 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -8.375 8.927 0.833 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -7.115 7.766 2.220 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -9.150 8.386 1.793 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -8.430 7.671 2.659 1.00 0.00 N ATOM 0 H HIS A 86 -4.892 9.366 -2.039 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.755 7.218 -0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.062 9.241 0.817 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.198 9.838 -0.376 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.692 9.512 0.060 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.264 7.301 2.696 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.221 8.515 1.854 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.382 7.115 -2.133 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.569 6.288 -2.478 1.00 0.00 C ATOM 1366 C GLU A 87 -8.101 5.028 -3.205 1.00 0.00 C ATOM 1367 O GLU A 87 -8.790 4.028 -3.239 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.502 7.088 -3.390 1.00 0.00 C ATOM 1369 CG GLU A 87 -8.701 7.676 -4.555 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.646 7.997 -5.714 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -10.813 8.236 -5.452 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -9.185 8.001 -6.844 1.00 0.00 O ATOM 0 H GLU A 87 -7.120 7.809 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.104 6.013 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.296 6.445 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.982 7.887 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.182 8.579 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.938 6.968 -4.879 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.930 5.067 -3.784 1.00 0.00 N ATOM 1380 CA ASN A 88 -6.419 3.867 -4.505 1.00 0.00 C ATOM 1381 C ASN A 88 -6.093 2.765 -3.489 1.00 0.00 C ATOM 1382 O ASN A 88 -6.547 1.644 -3.605 1.00 0.00 O ATOM 1383 CB ASN A 88 -5.157 4.244 -5.291 1.00 0.00 C ATOM 1384 CG ASN A 88 -3.922 3.877 -4.479 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -3.369 2.811 -4.647 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.470 4.715 -3.597 1.00 0.00 N ATOM 0 H ASN A 88 -6.308 5.875 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.177 3.503 -5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.143 3.723 -6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.157 5.312 -5.509 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.647 4.478 -3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.937 5.611 -3.458 1.00 0.00 H new ATOM 1393 N ILE A 89 -5.303 3.080 -2.501 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.935 2.064 -1.475 1.00 0.00 C ATOM 1395 C ILE A 89 -6.167 1.242 -1.092 1.00 0.00 C ATOM 1396 O ILE A 89 -6.151 0.029 -1.130 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.392 2.775 -0.235 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -3.022 3.371 -0.560 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.255 1.775 0.918 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.945 2.306 -0.357 1.00 0.00 C ATOM 0 H ILE A 89 -4.894 4.003 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.174 1.398 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.079 3.568 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.004 3.731 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.825 4.230 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.868 2.287 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.231 1.347 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.569 0.979 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.967 2.729 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.958 1.968 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.140 1.461 -1.017 1.00 0.00 H new ATOM 1412 N LYS A 90 -7.232 1.894 -0.719 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.462 1.151 -0.327 1.00 0.00 C ATOM 1414 C LYS A 90 -8.700 -0.005 -1.302 1.00 0.00 C ATOM 1415 O LYS A 90 -8.766 -1.153 -0.913 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.659 2.103 -0.357 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.867 1.430 0.296 1.00 0.00 C ATOM 1418 CD LYS A 90 -12.109 2.299 0.083 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.345 3.165 1.320 1.00 0.00 C ATOM 1420 NZ LYS A 90 -13.026 4.428 0.919 1.00 0.00 N ATOM 0 H LYS A 90 -7.304 2.910 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.339 0.750 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.416 3.026 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.894 2.375 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.023 0.441 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.687 1.289 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.978 2.930 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.979 1.669 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.954 2.625 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.396 3.390 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.187 5.018 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.428 4.945 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.939 4.204 0.474 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.829 0.286 -2.567 1.00 0.00 N ATOM 1435 CA GLU A 91 -9.061 -0.802 -3.557 1.00 0.00 C ATOM 1436 C GLU A 91 -7.761 -1.579 -3.776 1.00 0.00 C ATOM 1437 O GLU A 91 -7.738 -2.792 -3.746 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.528 -0.195 -4.883 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.901 0.451 -4.692 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.240 1.307 -5.913 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -11.080 0.816 -7.019 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -11.656 2.439 -5.724 1.00 0.00 O ATOM 0 H GLU A 91 -8.784 1.227 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.827 -1.480 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.809 0.548 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.581 -0.967 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.660 -0.319 -4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.903 1.066 -3.792 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.676 -0.886 -3.994 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.376 -1.583 -4.212 1.00 0.00 C ATOM 1451 C ILE A 92 -5.101 -2.529 -3.039 1.00 0.00 C ATOM 1452 O ILE A 92 -5.004 -3.729 -3.202 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.253 -0.540 -4.310 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.956 -0.248 -5.785 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.983 -1.063 -3.629 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.013 -1.317 -6.340 1.00 0.00 C ATOM 0 H ILE A 92 -6.634 0.132 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.418 -2.159 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.573 0.374 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.884 -0.234 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.504 0.739 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.194 -0.314 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.191 -1.265 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.660 -1.982 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.803 -1.108 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.081 -1.309 -5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.482 -2.297 -6.252 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.964 -1.993 -1.861 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.684 -2.849 -0.676 1.00 0.00 C ATOM 1470 C PHE A 93 -5.725 -3.966 -0.591 1.00 0.00 C ATOM 1471 O PHE A 93 -5.403 -5.109 -0.333 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.739 -1.986 0.586 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.915 -2.860 1.802 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.318 -4.125 1.855 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.677 -2.401 2.881 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.485 -4.928 2.985 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.844 -3.202 4.012 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.249 -4.469 4.066 1.00 0.00 C ATOM 0 H PHE A 93 -5.034 -0.994 -1.666 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.694 -3.296 -0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.823 -1.402 0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.564 -1.277 0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.729 -4.480 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.137 -1.425 2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -4.025 -5.904 3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.432 -2.845 4.845 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.379 -5.091 4.939 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.970 -3.648 -0.810 1.00 0.00 N ATOM 1489 CA HIS A 94 -8.024 -4.697 -0.746 1.00 0.00 C ATOM 1490 C HIS A 94 -7.937 -5.579 -1.990 1.00 0.00 C ATOM 1491 O HIS A 94 -8.619 -6.579 -2.101 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.399 -4.035 -0.686 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.467 -5.094 -0.709 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.660 -4.927 -1.398 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.537 -6.339 -0.133 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -12.390 -6.044 -1.221 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.751 -6.933 -0.460 1.00 0.00 N ATOM 0 H HIS A 94 -7.302 -2.709 -1.030 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.877 -5.308 0.145 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.486 -3.435 0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.525 -3.358 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.768 -6.787 0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.372 -6.201 -1.643 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.083 -7.855 -0.177 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.101 -5.224 -2.927 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.974 -6.055 -4.156 1.00 0.00 C ATOM 1508 C HIS A 95 -6.068 -7.244 -3.852 1.00 0.00 C ATOM 1509 O HIS A 95 -6.245 -8.325 -4.379 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.374 -5.221 -5.294 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.309 -5.231 -6.474 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -6.956 -5.791 -7.694 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.586 -4.752 -6.636 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -8.001 -5.636 -8.529 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -9.016 -5.010 -7.933 1.00 0.00 N ATOM 0 H HIS A 95 -6.503 -4.398 -2.895 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.958 -6.408 -4.465 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.206 -4.197 -4.959 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.404 -5.625 -5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.166 -4.252 -5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -8.015 -5.976 -9.554 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.919 -4.770 -8.343 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.107 -7.058 -2.992 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.205 -8.186 -2.643 1.00 0.00 C ATOM 1526 C LEU A 96 -5.020 -9.253 -1.922 1.00 0.00 C ATOM 1527 O LEU A 96 -5.110 -10.377 -2.366 1.00 0.00 O ATOM 1528 CB LEU A 96 -3.087 -7.693 -1.722 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.748 -8.307 -2.147 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.754 -8.180 -0.998 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.924 -9.790 -2.485 1.00 0.00 C ATOM 0 H LEU A 96 -4.909 -6.177 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.761 -8.597 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.026 -6.605 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.309 -7.964 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.382 -7.780 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.201 -8.615 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.613 -7.127 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.138 -8.707 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.964 -10.211 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.296 -10.321 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.637 -9.895 -3.302 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.625 -8.908 -0.814 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.436 -9.910 -0.072 1.00 0.00 C ATOM 1545 C GLU A 97 -7.371 -10.619 -1.050 1.00 0.00 C ATOM 1546 O GLU A 97 -8.042 -11.571 -0.705 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.260 -9.205 1.007 1.00 0.00 C ATOM 1548 CG GLU A 97 -8.138 -10.230 1.729 1.00 0.00 C ATOM 1549 CD GLU A 97 -8.432 -9.740 3.148 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -7.866 -8.731 3.534 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -9.217 -10.384 3.824 1.00 0.00 O ATOM 0 H GLU A 97 -5.591 -7.979 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.777 -10.639 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.599 -8.710 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.881 -8.430 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.070 -10.376 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.634 -11.196 1.763 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.408 -10.171 -2.276 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.283 -10.829 -3.281 1.00 0.00 C ATOM 1560 C GLU A 98 -7.515 -11.992 -3.903 1.00 0.00 C ATOM 1561 O GLU A 98 -8.060 -13.049 -4.153 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.665 -9.824 -4.370 1.00 0.00 C ATOM 1563 CG GLU A 98 -10.004 -10.230 -4.989 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.481 -9.134 -5.942 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -9.675 -8.672 -6.732 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.644 -8.774 -5.865 1.00 0.00 O ATOM 0 H GLU A 98 -6.869 -9.377 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.192 -11.193 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.736 -8.822 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.892 -9.791 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.897 -11.172 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.744 -10.392 -4.205 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.244 -11.810 -4.145 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.438 -12.909 -4.737 1.00 0.00 C ATOM 1575 C LEU A 99 -5.146 -13.955 -3.659 1.00 0.00 C ATOM 1576 O LEU A 99 -4.539 -14.976 -3.916 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.122 -12.349 -5.279 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.399 -11.522 -6.536 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.615 -10.210 -6.467 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.960 -12.312 -7.771 1.00 0.00 C ATOM 0 H LEU A 99 -5.733 -10.948 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.993 -13.370 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.639 -11.730 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.436 -13.164 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.465 -11.305 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.812 -9.621 -7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.925 -9.647 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.549 -10.426 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.157 -11.724 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.894 -12.527 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.517 -13.248 -7.821 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.578 -13.707 -2.449 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.332 -14.682 -1.348 1.00 0.00 C ATOM 1594 C VAL A 100 -6.675 -15.174 -0.794 1.00 0.00 C ATOM 1595 O VAL A 100 -6.765 -16.235 -0.210 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.507 -14.000 -0.244 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -4.054 -12.625 -0.724 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.348 -13.824 1.020 1.00 0.00 C ATOM 0 H VAL A 100 -6.092 -12.869 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.775 -15.540 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.644 -14.626 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.469 -12.141 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.442 -12.736 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.927 -12.014 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.749 -13.340 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.218 -13.207 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.678 -14.800 1.376 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.717 -14.409 -0.973 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.052 -14.829 -0.456 1.00 0.00 C ATOM 1610 C HIS A 101 -9.686 -15.829 -1.425 1.00 0.00 C ATOM 1611 O HIS A 101 -10.751 -16.359 -1.175 1.00 0.00 O ATOM 1612 CB HIS A 101 -9.955 -13.600 -0.326 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.341 -14.030 0.077 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -11.632 -14.486 1.356 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.526 -14.073 -0.616 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -12.945 -14.781 1.392 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.533 -14.546 0.217 1.00 0.00 N ATOM 0 H HIS A 101 -7.702 -13.510 -1.455 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.933 -15.299 0.520 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.547 -12.913 0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.992 -13.062 -1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.655 -13.784 -1.649 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.459 -15.160 2.263 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.515 -14.685 -0.020 1.00 0.00 H new ATOM 1626 N ARG A 102 -9.044 -16.093 -2.529 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.614 -17.059 -3.509 1.00 0.00 C ATOM 1628 C ARG A 102 -8.651 -18.235 -3.685 1.00 0.00 C ATOM 1629 O ARG A 102 -8.937 -19.092 -4.505 1.00 0.00 O ATOM 1630 CB ARG A 102 -9.817 -16.360 -4.856 1.00 0.00 C ATOM 1631 CG ARG A 102 -10.589 -15.056 -4.645 1.00 0.00 C ATOM 1632 CD ARG A 102 -12.074 -15.293 -4.922 1.00 0.00 C ATOM 1633 NE ARG A 102 -12.277 -15.524 -6.380 1.00 0.00 N ATOM 1634 CZ ARG A 102 -13.444 -15.907 -6.821 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -14.427 -16.100 -5.985 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -13.629 -16.096 -8.100 1.00 0.00 N ATOM 1637 OXT ARG A 102 -7.644 -18.256 -2.997 1.00 0.00 O ATOM 0 H ARG A 102 -8.149 -15.682 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.573 -17.426 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.852 -16.153 -5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.364 -17.012 -5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.451 -14.700 -3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.203 -14.281 -5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.428 -16.153 -4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.658 -14.433 -4.595 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.505 -15.383 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.284 -15.951 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.339 -16.399 -6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.861 -15.944 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.541 -16.395 -8.445 1.00 0.00 H new TER 1651 ARG A 102