USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 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 5 LYS NZ :NH3+ 135:sc= -0.438! (180deg=-0.929) USER MOD Set 1.2: A 131 SER OG : rot -167:sc= 0.125! USER MOD Set 2.1: A 116 THR OG1 : rot -154:sc= 2.28 USER MOD Set 2.2: A 121 LYS NZ :NH3+ -163:sc= 3.17 (180deg=1.64) USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 95 HIS : no HD1:sc= 0.833 K(o=0.83,f=-6!) USER MOD Set 4.1: A 85 ASN : amide:sc= -1 K(o=-3.2,f=-6) USER MOD Set 4.2: A 86 HIS : no HD1:sc= -2.18 X(o=-3.2,f=-2.8) USER MOD Set 5.1: A 57 TYR OH : rot -114:sc= 0.0643 USER MOD Set 5.2: A 76 CYS SG : rot 50:sc= 0.825 USER MOD Set 6.1: A 33 GLN : amide:sc= 0.148 K(o=1.1,f=-1!) USER MOD Set 6.2: A 51 SER OG : rot 70:sc= 0.975 USER MOD Set 7.1: A 40 SER OG : rot 65:sc= 1.05 USER MOD Set 7.2: A 132 SER OG : rot -105:sc= -0.512 USER MOD Set 8.1: A 36 GLN : amide:sc= -0.493! X(o=-0.54!,f=-0.73) USER MOD Set 8.2: A 38 GLN : amide:sc= -0.0423 K(o=-0.54,f=-1.3) USER MOD Set 9.1: A 34 HIS : no HD1:sc= 0.596 K(o=1.9,f=-9.4!) USER MOD Set 9.2: A 52 THR OG1 : rot -144:sc= 1.33 USER MOD Set10.1: A 11 ASN : amide:sc= 0.199 K(o=1.2,f=-16!) USER MOD Set10.2: A 105 LYS NZ :NH3+ -169:sc= 0.971 (180deg=-0.00677) USER MOD Set11.1: A 8 TYR OH : rot 88:sc= 0.753 USER MOD Set11.2: A 14 HIS : no HD1:sc= -2.48 X(o=-1.7,f=-1.7) USER MOD Set12.1: A 1 TYR OH : rot 180:sc= 0.976 USER MOD Set12.2: A 2 LYS NZ :NH3+ 156:sc= 1.33 (180deg=-0.00677) USER MOD Single : A 1 TYR N :NH3+ -151:sc= 0.945 (180deg=0.0109) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0263) USER MOD Single : A 9 CYS SG : rot -140:sc= -0.211 USER MOD Single : A 10 SER OG : rot 180:sc= -0.132 USER MOD Single : A 23 THR OG1 : rot -31:sc= 0.445 USER MOD Single : A 27 THR OG1 : rot 50:sc= -1.06! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 88:sc= 1.32 USER MOD Single : A 48 TYR OH : rot -13:sc= -1.48! USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 1.88 (180deg=1.88) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.115 K(o=0.12,f=-3) USER MOD Single : A 60 MET CE :methyl -157:sc= -0.0698 (180deg=-0.589) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.285 K(o=-0.28,f=-1.5) USER MOD Single : A 71 THR OG1 : rot -28:sc= 0.571 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0.0031) USER MOD Single : A 87 TYR OH : rot 58:sc= 1.15 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.151 F(o=-2.8!,f=-0.15) USER MOD Single : A 89 THR OG1 : rot -170:sc=-0.00958 USER MOD Single : A 90 TYR OH : rot 57:sc= 1.2 USER MOD Single : A 92 SER OG : rot -106:sc= 0.699 USER MOD Single : A 93 LYS NZ :NH3+ -119:sc= 1.19 (180deg=-1.01) USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= 2.22 (180deg=1.79) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.94) USER MOD Single : A 106 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.000657) USER MOD Single : A 107 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.67) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 160:sc= -2.2 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.949 X(o=-0.95,f=-0.75) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.545 F(o=-1.4,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 17.002 -1.341 -9.472 1.00 0.54 N ATOM 2 CA TYR A 1 15.673 -1.959 -9.223 1.00 0.51 C ATOM 3 C TYR A 1 14.933 -1.268 -8.070 1.00 0.43 C ATOM 4 O TYR A 1 13.795 -0.824 -8.239 1.00 0.59 O ATOM 5 CB TYR A 1 15.810 -3.469 -8.942 1.00 0.57 C ATOM 6 CG TYR A 1 16.658 -3.808 -7.731 1.00 0.55 C ATOM 7 CD1 TYR A 1 18.044 -3.714 -7.775 1.00 0.77 C ATOM 8 CD2 TYR A 1 16.067 -4.211 -6.540 1.00 0.53 C ATOM 9 CE1 TYR A 1 18.815 -4.010 -6.668 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.831 -4.504 -5.428 1.00 0.65 C ATOM 11 CZ TYR A 1 18.205 -4.403 -5.498 1.00 0.85 C ATOM 12 OH TYR A 1 18.971 -4.674 -4.385 1.00 1.08 O ATOM 0 H1 TYR A 1 17.254 -1.452 -10.475 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.964 -0.329 -9.234 1.00 0.54 H new ATOM 0 H3 TYR A 1 17.719 -1.809 -8.881 1.00 0.54 H new ATOM 0 HA TYR A 1 15.081 -1.825 -10.129 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.815 -3.892 -8.803 1.00 0.57 H new ATOM 0 HB3 TYR A 1 16.242 -3.951 -9.819 1.00 0.57 H new ATOM 0 HD1 TYR A 1 18.526 -3.404 -8.690 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.992 -4.297 -6.483 1.00 0.53 H new ATOM 0 HE1 TYR A 1 19.891 -3.934 -6.720 1.00 0.93 H new ATOM 0 HE2 TYR A 1 16.355 -4.811 -4.508 1.00 0.65 H new ATOM 0 HH TYR A 1 18.388 -4.937 -3.643 1.00 1.08 H new ATOM 24 N LYS A 2 15.576 -1.158 -6.906 1.00 0.35 N ATOM 25 CA LYS A 2 14.943 -0.530 -5.749 1.00 0.39 C ATOM 26 C LYS A 2 15.204 0.971 -5.742 1.00 0.34 C ATOM 27 O LYS A 2 16.350 1.414 -5.807 1.00 0.48 O ATOM 28 CB LYS A 2 15.417 -1.175 -4.433 1.00 0.54 C ATOM 29 CG LYS A 2 16.795 -0.727 -3.948 1.00 0.73 C ATOM 30 CD LYS A 2 17.909 -1.206 -4.869 1.00 1.05 C ATOM 31 CE LYS A 2 19.269 -1.178 -4.181 1.00 1.15 C ATOM 32 NZ LYS A 2 19.428 -2.280 -3.188 1.00 1.40 N ATOM 0 H LYS A 2 16.525 -1.493 -6.742 1.00 0.35 H new ATOM 0 HA LYS A 2 13.868 -0.691 -5.828 1.00 0.39 H new ATOM 0 HB2 LYS A 2 14.686 -0.954 -3.655 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.429 -2.257 -4.561 1.00 0.54 H new ATOM 0 HG2 LYS A 2 16.820 0.361 -3.884 1.00 0.73 H new ATOM 0 HG3 LYS A 2 16.967 -1.110 -2.942 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.692 -2.221 -5.203 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.940 -0.577 -5.759 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.055 -1.254 -4.933 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.399 -0.219 -3.679 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.439 -2.481 -3.051 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.006 -1.994 -2.282 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 18.950 -3.135 -3.538 1.00 1.40 H new ATOM 46 N LYS A 3 14.133 1.744 -5.689 1.00 0.28 N ATOM 47 CA LYS A 3 14.224 3.198 -5.670 1.00 0.26 C ATOM 48 C LYS A 3 13.133 3.774 -4.774 1.00 0.26 C ATOM 49 O LYS A 3 12.106 3.125 -4.560 1.00 0.29 O ATOM 50 CB LYS A 3 14.083 3.758 -7.087 1.00 0.30 C ATOM 51 CG LYS A 3 15.278 3.477 -7.982 1.00 0.49 C ATOM 52 CD LYS A 3 15.020 3.937 -9.410 1.00 0.55 C ATOM 53 CE LYS A 3 16.291 4.435 -10.086 1.00 0.78 C ATOM 54 NZ LYS A 3 17.347 3.389 -10.145 1.00 1.18 N ATOM 0 H LYS A 3 13.179 1.386 -5.658 1.00 0.28 H new ATOM 0 HA LYS A 3 15.200 3.483 -5.276 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.190 3.335 -7.547 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.931 4.836 -7.028 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.158 3.985 -7.587 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.497 2.409 -7.976 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.602 3.112 -9.987 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.275 4.733 -9.406 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.056 4.768 -11.097 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.671 5.302 -9.546 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.145 3.734 -10.716 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.677 3.174 -9.182 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 16.958 2.527 -10.578 1.00 1.18 H new ATOM 68 N PRO A 4 13.346 4.986 -4.232 1.00 0.28 N ATOM 69 CA PRO A 4 12.366 5.643 -3.364 1.00 0.30 C ATOM 70 C PRO A 4 10.987 5.687 -4.018 1.00 0.27 C ATOM 71 O PRO A 4 10.757 6.450 -4.960 1.00 0.35 O ATOM 72 CB PRO A 4 12.929 7.058 -3.186 1.00 0.35 C ATOM 73 CG PRO A 4 14.394 6.916 -3.410 1.00 0.43 C ATOM 74 CD PRO A 4 14.556 5.812 -4.420 1.00 0.37 C ATOM 0 HA PRO A 4 12.227 5.118 -2.419 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.485 7.753 -3.899 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.717 7.446 -2.190 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.824 7.847 -3.778 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.909 6.673 -2.481 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.620 6.204 -5.435 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.465 5.237 -4.243 1.00 0.37 H new ATOM 82 N LYS A 5 10.090 4.843 -3.530 1.00 0.24 N ATOM 83 CA LYS A 5 8.735 4.759 -4.052 1.00 0.22 C ATOM 84 C LYS A 5 7.749 5.426 -3.096 1.00 0.25 C ATOM 85 O LYS A 5 8.101 5.769 -1.969 1.00 0.48 O ATOM 86 CB LYS A 5 8.361 3.284 -4.258 1.00 0.24 C ATOM 87 CG LYS A 5 7.104 3.060 -5.089 1.00 0.24 C ATOM 88 CD LYS A 5 6.954 1.599 -5.491 1.00 0.34 C ATOM 89 CE LYS A 5 5.734 1.381 -6.377 1.00 0.35 C ATOM 90 NZ LYS A 5 5.818 0.109 -7.143 1.00 0.40 N ATOM 0 H LYS A 5 10.281 4.199 -2.763 1.00 0.24 H new ATOM 0 HA LYS A 5 8.688 5.282 -5.007 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.195 2.775 -4.740 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.224 2.818 -3.282 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.229 3.373 -4.519 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.142 3.682 -5.983 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.850 1.273 -6.019 1.00 0.34 H new ATOM 0 HD3 LYS A 5 6.869 0.982 -4.596 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.835 1.373 -5.760 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.637 2.216 -7.071 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.905 -0.387 -7.093 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.046 0.316 -8.136 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.562 -0.493 -6.736 1.00 0.40 H new ATOM 104 N LEU A 6 6.525 5.629 -3.564 1.00 0.22 N ATOM 105 CA LEU A 6 5.475 6.227 -2.752 1.00 0.23 C ATOM 106 C LEU A 6 4.122 5.668 -3.180 1.00 0.22 C ATOM 107 O LEU A 6 3.994 5.124 -4.281 1.00 0.25 O ATOM 108 CB LEU A 6 5.495 7.760 -2.859 1.00 0.27 C ATOM 109 CG LEU A 6 4.827 8.357 -4.101 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.677 9.862 -3.947 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.625 8.025 -5.354 1.00 0.50 C ATOM 0 H LEU A 6 6.234 5.386 -4.511 1.00 0.22 H new ATOM 0 HA LEU A 6 5.651 5.973 -1.707 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.007 8.172 -1.976 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.533 8.092 -2.834 1.00 0.27 H new ATOM 0 HG LEU A 6 3.835 7.917 -4.204 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.201 10.273 -4.837 1.00 0.45 H new ATOM 0 HD12 LEU A 6 4.062 10.079 -3.073 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.660 10.315 -3.820 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.133 8.459 -6.224 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.631 8.435 -5.264 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.684 6.943 -5.472 1.00 0.50 H new ATOM 123 N LEU A 7 3.125 5.798 -2.314 1.00 0.24 N ATOM 124 CA LEU A 7 1.790 5.293 -2.601 1.00 0.26 C ATOM 125 C LEU A 7 0.768 6.419 -2.520 1.00 0.22 C ATOM 126 O LEU A 7 0.269 6.745 -1.441 1.00 0.24 O ATOM 127 CB LEU A 7 1.425 4.172 -1.624 1.00 0.32 C ATOM 128 CG LEU A 7 0.051 3.534 -1.848 1.00 0.36 C ATOM 129 CD1 LEU A 7 -0.028 2.887 -3.224 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.248 2.522 -0.749 1.00 0.46 C ATOM 0 H LEU A 7 3.217 6.250 -1.404 1.00 0.24 H new ATOM 0 HA LEU A 7 1.782 4.889 -3.613 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.185 3.393 -1.689 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.462 4.569 -0.610 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.705 4.318 -1.806 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -1.013 2.441 -3.360 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.137 3.643 -3.992 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.735 2.113 -3.307 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.228 2.077 -0.921 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.512 1.741 -0.757 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.243 3.024 0.219 1.00 0.46 H new ATOM 142 N TYR A 8 0.464 7.013 -3.666 1.00 0.22 N ATOM 143 CA TYR A 8 -0.489 8.109 -3.732 1.00 0.21 C ATOM 144 C TYR A 8 -1.905 7.578 -3.931 1.00 0.21 C ATOM 145 O TYR A 8 -2.152 6.748 -4.807 1.00 0.29 O ATOM 146 CB TYR A 8 -0.124 9.064 -4.873 1.00 0.24 C ATOM 147 CG TYR A 8 -0.619 10.473 -4.662 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.934 10.822 -4.946 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.231 11.454 -4.176 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.386 12.113 -4.750 1.00 0.46 C ATOM 151 CE2 TYR A 8 -0.211 12.743 -3.978 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.518 13.070 -4.265 1.00 0.50 C ATOM 153 OH TYR A 8 -1.955 14.360 -4.066 1.00 0.63 O ATOM 0 H TYR A 8 0.867 6.752 -4.566 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.450 8.653 -2.788 1.00 0.21 H new ATOM 0 HB2 TYR A 8 0.960 9.082 -4.988 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.537 8.678 -5.805 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.613 10.073 -5.326 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.257 11.203 -3.949 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.410 12.371 -4.975 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.465 13.495 -3.599 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.336 14.441 -3.167 1.00 0.63 H new ATOM 163 N CYS A 9 -2.827 8.048 -3.103 1.00 0.23 N ATOM 164 CA CYS A 9 -4.221 7.638 -3.197 1.00 0.27 C ATOM 165 C CYS A 9 -5.063 8.811 -3.687 1.00 0.28 C ATOM 166 O CYS A 9 -5.111 9.863 -3.044 1.00 0.30 O ATOM 167 CB CYS A 9 -4.725 7.137 -1.837 1.00 0.30 C ATOM 168 SG CYS A 9 -3.739 5.792 -1.135 1.00 0.37 S ATOM 0 H CYS A 9 -2.634 8.716 -2.356 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.308 6.818 -3.910 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.735 7.971 -1.135 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.756 6.800 -1.945 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.527 4.920 -0.580 1.00 0.37 H new ATOM 174 N SER A 10 -5.707 8.640 -4.834 1.00 0.37 N ATOM 175 CA SER A 10 -6.531 9.693 -5.414 1.00 0.42 C ATOM 176 C SER A 10 -7.815 9.902 -4.605 1.00 0.39 C ATOM 177 O SER A 10 -8.924 9.682 -5.103 1.00 0.51 O ATOM 178 CB SER A 10 -6.862 9.351 -6.869 1.00 0.56 C ATOM 179 OG SER A 10 -5.723 8.829 -7.538 1.00 1.23 O ATOM 0 H SER A 10 -5.675 7.780 -5.382 1.00 0.37 H new ATOM 0 HA SER A 10 -5.968 10.626 -5.386 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.673 8.623 -6.900 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.215 10.244 -7.385 1.00 0.56 H new ATOM 0 HG SER A 10 -5.957 8.616 -8.465 1.00 1.23 H new ATOM 185 N ASN A 11 -7.661 10.321 -3.352 1.00 0.33 N ATOM 186 CA ASN A 11 -8.807 10.571 -2.480 1.00 0.36 C ATOM 187 C ASN A 11 -8.647 11.909 -1.756 1.00 0.35 C ATOM 188 O ASN A 11 -9.083 12.071 -0.612 1.00 0.47 O ATOM 189 CB ASN A 11 -8.969 9.434 -1.463 1.00 0.44 C ATOM 190 CG ASN A 11 -10.322 9.458 -0.761 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.409 9.256 0.453 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.397 9.679 -1.513 1.00 0.75 N ATOM 0 H ASN A 11 -6.755 10.495 -2.917 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.704 10.614 -3.098 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.845 8.478 -1.971 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.177 9.504 -0.718 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.324 9.684 -1.088 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -11.294 9.843 -2.514 1.00 0.75 H new ATOM 199 N GLY A 12 -8.035 12.868 -2.442 1.00 0.38 N ATOM 200 CA GLY A 12 -7.811 14.176 -1.861 1.00 0.45 C ATOM 201 C GLY A 12 -6.495 14.250 -1.111 1.00 0.46 C ATOM 202 O GLY A 12 -6.009 13.240 -0.594 1.00 0.87 O ATOM 0 H GLY A 12 -7.689 12.760 -3.395 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.821 14.929 -2.649 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.629 14.415 -1.181 1.00 0.45 H new ATOM 206 N GLY A 13 -5.912 15.439 -1.060 1.00 0.38 N ATOM 207 CA GLY A 13 -4.653 15.623 -0.366 1.00 0.36 C ATOM 208 C GLY A 13 -3.520 14.821 -0.977 1.00 0.31 C ATOM 209 O GLY A 13 -3.491 14.588 -2.189 1.00 0.40 O ATOM 0 H GLY A 13 -6.290 16.284 -1.489 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.389 16.681 -0.376 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.774 15.335 0.678 1.00 0.36 H new ATOM 213 N HIS A 14 -2.581 14.410 -0.138 1.00 0.26 N ATOM 214 CA HIS A 14 -1.423 13.636 -0.571 1.00 0.24 C ATOM 215 C HIS A 14 -1.167 12.504 0.423 1.00 0.22 C ATOM 216 O HIS A 14 -1.426 12.660 1.619 1.00 0.30 O ATOM 217 CB HIS A 14 -0.191 14.544 -0.691 1.00 0.28 C ATOM 218 CG HIS A 14 -0.295 15.565 -1.793 1.00 0.38 C ATOM 219 ND1 HIS A 14 -1.223 16.589 -1.795 1.00 0.60 N ATOM 220 CD2 HIS A 14 0.413 15.707 -2.939 1.00 0.53 C ATOM 221 CE1 HIS A 14 -1.080 17.309 -2.894 1.00 0.72 C ATOM 222 NE2 HIS A 14 -0.095 16.795 -3.601 1.00 0.66 N ATOM 0 H HIS A 14 -2.599 14.603 0.863 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.622 13.205 -1.552 1.00 0.24 H new ATOM 0 HB2 HIS A 14 -0.038 15.060 0.257 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.690 13.925 -0.863 1.00 0.28 H new ATOM 0 HD2 HIS A 14 1.227 15.079 -3.270 1.00 0.53 H new ATOM 0 HE1 HIS A 14 -1.670 18.172 -3.166 1.00 0.72 H new ATOM 0 HE2 HIS A 14 0.237 17.150 -4.498 1.00 0.66 H new ATOM 231 N PHE A 15 -0.659 11.371 -0.057 1.00 0.20 N ATOM 232 CA PHE A 15 -0.416 10.219 0.810 1.00 0.21 C ATOM 233 C PHE A 15 1.008 9.696 0.678 1.00 0.21 C ATOM 234 O PHE A 15 1.491 9.491 -0.437 1.00 0.23 O ATOM 235 CB PHE A 15 -1.393 9.094 0.464 1.00 0.27 C ATOM 236 CG PHE A 15 -2.834 9.440 0.718 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.586 10.096 -0.244 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.433 9.099 1.917 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.912 10.407 -0.010 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.757 9.405 2.156 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.497 10.060 1.192 1.00 0.45 C ATOM 0 H PHE A 15 -0.409 11.226 -1.035 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.564 10.549 1.838 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.272 8.831 -0.587 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.134 8.209 1.045 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -3.131 10.367 -1.185 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -2.858 8.587 2.675 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.489 10.920 -0.765 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.214 9.132 3.096 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.533 10.301 1.378 1.00 0.45 H new ATOM 251 N LEU A 16 1.671 9.489 1.823 1.00 0.20 N ATOM 252 CA LEU A 16 3.042 8.959 1.848 1.00 0.22 C ATOM 253 C LEU A 16 3.664 9.028 3.256 1.00 0.23 C ATOM 254 O LEU A 16 4.861 9.282 3.399 1.00 0.33 O ATOM 255 CB LEU A 16 3.935 9.697 0.835 1.00 0.23 C ATOM 256 CG LEU A 16 3.923 11.224 0.927 1.00 0.24 C ATOM 257 CD1 LEU A 16 5.243 11.736 1.479 1.00 0.46 C ATOM 258 CD2 LEU A 16 3.640 11.839 -0.438 1.00 0.45 C ATOM 0 H LEU A 16 1.280 9.680 2.746 1.00 0.20 H new ATOM 0 HA LEU A 16 2.981 7.908 1.565 1.00 0.22 H new ATOM 0 HB2 LEU A 16 4.961 9.352 0.964 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.626 9.410 -0.170 1.00 0.23 H new ATOM 0 HG LEU A 16 3.127 11.521 1.610 1.00 0.24 H new ATOM 0 HD11 LEU A 16 5.216 12.824 1.537 1.00 0.46 H new ATOM 0 HD12 LEU A 16 5.405 11.323 2.475 1.00 0.46 H new ATOM 0 HD13 LEU A 16 6.056 11.428 0.822 1.00 0.46 H new ATOM 0 HD21 LEU A 16 3.635 12.926 -0.354 1.00 0.45 H new ATOM 0 HD22 LEU A 16 4.414 11.533 -1.142 1.00 0.45 H new ATOM 0 HD23 LEU A 16 2.668 11.499 -0.796 1.00 0.45 H new ATOM 270 N ARG A 17 2.865 8.774 4.296 1.00 0.24 N ATOM 271 CA ARG A 17 3.373 8.813 5.665 1.00 0.26 C ATOM 272 C ARG A 17 2.919 7.595 6.459 1.00 0.22 C ATOM 273 O ARG A 17 1.769 7.166 6.355 1.00 0.29 O ATOM 274 CB ARG A 17 2.932 10.091 6.378 1.00 0.34 C ATOM 275 CG ARG A 17 3.371 10.155 7.835 1.00 0.47 C ATOM 276 CD ARG A 17 3.178 11.543 8.430 1.00 0.53 C ATOM 277 NE ARG A 17 1.771 11.933 8.481 1.00 0.54 N ATOM 278 CZ ARG A 17 1.342 13.175 8.715 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.206 14.149 8.982 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.040 13.441 8.689 1.00 0.86 N ATOM 0 H ARG A 17 1.875 8.542 4.216 1.00 0.24 H new ATOM 0 HA ARG A 17 4.461 8.802 5.606 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.337 10.952 5.847 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.846 10.168 6.330 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.803 9.429 8.417 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.421 9.872 7.910 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.596 11.566 9.436 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.733 12.270 7.838 1.00 0.53 H new ATOM 0 HE ARG A 17 1.070 11.208 8.328 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.206 13.950 9.009 1.00 0.85 H new ATOM 0 HH12 ARG A 17 1.869 15.095 9.160 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.629 12.697 8.491 1.00 0.86 H new ATOM 0 HH22 ARG A 17 -0.290 14.389 8.868 1.00 0.86 H new ATOM 294 N ILE A 18 3.835 7.055 7.254 1.00 0.21 N ATOM 295 CA ILE A 18 3.562 5.890 8.080 1.00 0.20 C ATOM 296 C ILE A 18 3.933 6.178 9.535 1.00 0.20 C ATOM 297 O ILE A 18 4.972 6.790 9.810 1.00 0.26 O ATOM 298 CB ILE A 18 4.342 4.649 7.579 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.948 3.403 8.380 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.848 4.881 7.657 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.588 2.845 8.017 1.00 0.33 C ATOM 0 H ILE A 18 4.786 7.413 7.343 1.00 0.21 H new ATOM 0 HA ILE A 18 2.496 5.675 8.011 1.00 0.20 H new ATOM 0 HB ILE A 18 4.078 4.486 6.534 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.700 2.630 8.224 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.958 3.648 9.442 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.372 3.994 7.299 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.117 5.736 7.037 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.133 5.078 8.690 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.381 1.965 8.626 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.824 3.601 8.200 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.578 2.567 6.963 1.00 0.33 H new ATOM 313 N LEU A 19 3.073 5.760 10.452 1.00 0.21 N ATOM 314 CA LEU A 19 3.301 5.956 11.877 1.00 0.24 C ATOM 315 C LEU A 19 3.907 4.695 12.488 1.00 0.23 C ATOM 316 O LEU A 19 3.363 3.600 12.320 1.00 0.22 O ATOM 317 CB LEU A 19 1.989 6.309 12.590 1.00 0.30 C ATOM 318 CG LEU A 19 1.390 7.680 12.242 1.00 0.40 C ATOM 319 CD1 LEU A 19 2.421 8.783 12.427 1.00 0.54 C ATOM 320 CD2 LEU A 19 0.847 7.690 10.820 1.00 0.48 C ATOM 0 H LEU A 19 2.202 5.278 10.232 1.00 0.21 H new ATOM 0 HA LEU A 19 3.998 6.784 12.006 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.252 5.541 12.356 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.160 6.270 13.666 1.00 0.30 H new ATOM 0 HG LEU A 19 0.561 7.867 12.925 1.00 0.40 H new ATOM 0 HD11 LEU A 19 1.974 9.745 12.175 1.00 0.54 H new ATOM 0 HD12 LEU A 19 2.755 8.799 13.465 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.274 8.597 11.774 1.00 0.54 H new ATOM 0 HD21 LEU A 19 0.428 8.671 10.597 1.00 0.48 H new ATOM 0 HD22 LEU A 19 1.654 7.473 10.121 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.069 6.933 10.722 1.00 0.48 H new ATOM 332 N PRO A 20 5.030 4.840 13.218 1.00 0.29 N ATOM 333 CA PRO A 20 5.743 3.718 13.850 1.00 0.33 C ATOM 334 C PRO A 20 4.815 2.753 14.587 1.00 0.30 C ATOM 335 O PRO A 20 5.074 1.551 14.642 1.00 0.36 O ATOM 336 CB PRO A 20 6.699 4.400 14.845 1.00 0.41 C ATOM 337 CG PRO A 20 6.334 5.850 14.839 1.00 0.55 C ATOM 338 CD PRO A 20 5.695 6.114 13.508 1.00 0.38 C ATOM 0 HA PRO A 20 6.246 3.105 13.102 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.592 3.975 15.843 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.738 4.258 14.548 1.00 0.41 H new ATOM 0 HG2 PRO A 20 5.648 6.082 15.653 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.217 6.474 14.978 1.00 0.55 H new ATOM 0 HD2 PRO A 20 4.986 6.941 13.555 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.433 6.369 12.747 1.00 0.38 H new ATOM 346 N ASP A 21 3.736 3.282 15.156 1.00 0.27 N ATOM 347 CA ASP A 21 2.774 2.460 15.889 1.00 0.30 C ATOM 348 C ASP A 21 2.053 1.474 14.967 1.00 0.29 C ATOM 349 O ASP A 21 1.410 0.531 15.438 1.00 0.41 O ATOM 350 CB ASP A 21 1.753 3.341 16.616 1.00 0.36 C ATOM 351 CG ASP A 21 2.364 4.063 17.800 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.512 3.437 18.873 1.00 0.96 O ATOM 353 OD2 ASP A 21 2.709 5.254 17.664 1.00 0.95 O ATOM 0 H ASP A 21 3.504 4.275 15.125 1.00 0.27 H new ATOM 0 HA ASP A 21 3.335 1.884 16.625 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.343 4.072 15.918 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.921 2.725 16.957 1.00 0.36 H new ATOM 358 N GLY A 22 2.153 1.690 13.658 1.00 0.24 N ATOM 359 CA GLY A 22 1.513 0.803 12.711 1.00 0.27 C ATOM 360 C GLY A 22 0.290 1.422 12.060 1.00 0.27 C ATOM 361 O GLY A 22 -0.818 0.904 12.198 1.00 0.35 O ATOM 0 H GLY A 22 2.667 2.465 13.239 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.230 0.526 11.938 1.00 0.27 H new ATOM 0 HA3 GLY A 22 1.222 -0.116 13.220 1.00 0.27 H new ATOM 365 N THR A 23 0.482 2.535 11.362 1.00 0.24 N ATOM 366 CA THR A 23 -0.619 3.218 10.689 1.00 0.27 C ATOM 367 C THR A 23 -0.089 4.124 9.578 1.00 0.22 C ATOM 368 O THR A 23 0.977 4.722 9.726 1.00 0.25 O ATOM 369 CB THR A 23 -1.446 4.063 11.688 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.704 3.312 12.889 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.767 4.502 11.067 1.00 0.43 C ATOM 0 H THR A 23 1.390 2.985 11.247 1.00 0.24 H new ATOM 0 HA THR A 23 -1.265 2.454 10.257 1.00 0.27 H new ATOM 0 HB THR A 23 -0.864 4.950 11.937 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.772 2.359 12.671 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.329 5.094 11.789 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.570 5.103 10.180 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.348 3.623 10.788 1.00 0.43 H new ATOM 379 N VAL A 24 -0.819 4.211 8.471 1.00 0.25 N ATOM 380 CA VAL A 24 -0.419 5.047 7.346 1.00 0.24 C ATOM 381 C VAL A 24 -1.456 6.143 7.116 1.00 0.28 C ATOM 382 O VAL A 24 -2.660 5.875 7.158 1.00 0.37 O ATOM 383 CB VAL A 24 -0.240 4.209 6.054 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.533 3.512 5.662 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.264 5.076 4.912 1.00 0.32 C ATOM 0 H VAL A 24 -1.696 3.709 8.329 1.00 0.25 H new ATOM 0 HA VAL A 24 0.542 5.501 7.589 1.00 0.24 H new ATOM 0 HB VAL A 24 0.506 3.442 6.261 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.373 2.933 4.752 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.845 2.846 6.466 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.309 4.257 5.486 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.382 4.466 4.017 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.453 5.873 4.716 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.226 5.512 5.183 1.00 0.32 H new ATOM 395 N ASP A 25 -0.996 7.372 6.881 1.00 0.28 N ATOM 396 CA ASP A 25 -1.909 8.492 6.665 1.00 0.35 C ATOM 397 C ASP A 25 -1.367 9.459 5.606 1.00 0.27 C ATOM 398 O ASP A 25 -0.319 9.213 4.999 1.00 0.26 O ATOM 399 CB ASP A 25 -2.196 9.223 7.991 1.00 0.50 C ATOM 400 CG ASP A 25 -1.238 10.366 8.289 1.00 0.53 C ATOM 401 OD1 ASP A 25 -0.015 10.128 8.362 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.713 11.513 8.470 1.00 1.19 O ATOM 0 H ASP A 25 -0.006 7.615 6.836 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.849 8.090 6.288 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.214 9.613 7.966 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.151 8.503 8.808 1.00 0.50 H new ATOM 407 N GLY A 26 -2.106 10.544 5.380 1.00 0.27 N ATOM 408 CA GLY A 26 -1.729 11.532 4.385 1.00 0.26 C ATOM 409 C GLY A 26 -0.425 12.250 4.693 1.00 0.32 C ATOM 410 O GLY A 26 0.026 12.282 5.841 1.00 0.72 O ATOM 0 H GLY A 26 -2.971 10.757 5.877 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.642 11.042 3.415 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.527 12.270 4.299 1.00 0.26 H new ATOM 414 N THR A 27 0.168 12.837 3.655 1.00 0.25 N ATOM 415 CA THR A 27 1.425 13.578 3.759 1.00 0.23 C ATOM 416 C THR A 27 1.894 14.019 2.371 1.00 0.23 C ATOM 417 O THR A 27 1.526 13.413 1.363 1.00 0.26 O ATOM 418 CB THR A 27 2.532 12.742 4.455 1.00 0.30 C ATOM 419 OG1 THR A 27 2.395 12.853 5.872 1.00 0.60 O ATOM 420 CG2 THR A 27 3.929 13.199 4.060 1.00 0.65 C ATOM 0 H THR A 27 -0.213 12.812 2.709 1.00 0.25 H new ATOM 0 HA THR A 27 1.238 14.458 4.375 1.00 0.23 H new ATOM 0 HB THR A 27 2.409 11.708 4.134 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.465 12.674 6.126 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.671 12.585 4.571 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.054 13.097 2.982 1.00 0.65 H new ATOM 0 HG23 THR A 27 4.064 14.243 4.343 1.00 0.65 H new ATOM 428 N ARG A 28 2.692 15.082 2.324 1.00 0.26 N ATOM 429 CA ARG A 28 3.208 15.606 1.068 1.00 0.29 C ATOM 430 C ARG A 28 4.733 15.700 1.116 1.00 0.29 C ATOM 431 O ARG A 28 5.289 16.380 1.979 1.00 0.39 O ATOM 432 CB ARG A 28 2.600 16.984 0.785 1.00 0.36 C ATOM 433 CG ARG A 28 2.933 18.025 1.843 1.00 0.44 C ATOM 434 CD ARG A 28 2.100 19.288 1.677 1.00 0.57 C ATOM 435 NE ARG A 28 1.096 19.424 2.731 1.00 0.66 N ATOM 436 CZ ARG A 28 1.276 20.123 3.856 1.00 0.85 C ATOM 437 NH1 ARG A 28 2.429 20.751 4.085 1.00 1.04 N ATOM 438 NH2 ARG A 28 0.300 20.200 4.753 1.00 1.12 N ATOM 0 H ARG A 28 2.996 15.599 3.149 1.00 0.26 H new ATOM 0 HA ARG A 28 2.929 14.925 0.264 1.00 0.29 H new ATOM 0 HB2 ARG A 28 2.954 17.336 -0.184 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.517 16.886 0.712 1.00 0.36 H new ATOM 0 HG2 ARG A 28 2.761 17.604 2.834 1.00 0.44 H new ATOM 0 HG3 ARG A 28 3.992 18.278 1.783 1.00 0.44 H new ATOM 0 HD2 ARG A 28 2.756 20.159 1.686 1.00 0.57 H new ATOM 0 HD3 ARG A 28 1.606 19.271 0.706 1.00 0.57 H new ATOM 0 HE ARG A 28 0.200 18.955 2.599 1.00 0.66 H new ATOM 0 HH11 ARG A 28 3.182 20.700 3.399 1.00 1.04 H new ATOM 0 HH12 ARG A 28 2.558 21.282 4.946 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -0.587 19.726 4.584 1.00 1.12 H new ATOM 0 HH22 ARG A 28 0.437 20.733 5.612 1.00 1.12 H new ATOM 452 N ASP A 29 5.401 15.013 0.196 1.00 0.27 N ATOM 453 CA ASP A 29 6.861 15.023 0.140 1.00 0.29 C ATOM 454 C ASP A 29 7.335 14.855 -1.300 1.00 0.30 C ATOM 455 O ASP A 29 6.532 14.575 -2.194 1.00 0.37 O ATOM 456 CB ASP A 29 7.439 13.910 1.020 1.00 0.31 C ATOM 457 CG ASP A 29 8.764 14.293 1.649 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.732 14.551 0.900 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.839 14.350 2.895 1.00 0.53 O ATOM 0 H ASP A 29 4.956 14.441 -0.522 1.00 0.27 H new ATOM 0 HA ASP A 29 7.215 15.983 0.517 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.725 13.666 1.806 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.573 13.010 0.420 1.00 0.31 H new ATOM 464 N ARG A 30 8.631 15.015 -1.522 1.00 0.35 N ATOM 465 CA ARG A 30 9.200 14.891 -2.856 1.00 0.39 C ATOM 466 C ARG A 30 9.372 13.418 -3.220 1.00 0.37 C ATOM 467 O ARG A 30 10.476 12.874 -3.140 1.00 0.41 O ATOM 468 CB ARG A 30 10.544 15.627 -2.946 1.00 0.48 C ATOM 469 CG ARG A 30 11.191 15.547 -4.325 1.00 0.53 C ATOM 470 CD ARG A 30 10.251 16.058 -5.404 1.00 0.62 C ATOM 471 NE ARG A 30 10.604 15.558 -6.731 1.00 0.72 N ATOM 472 CZ ARG A 30 9.724 15.376 -7.722 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.431 15.644 -7.533 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.140 14.922 -8.902 1.00 1.02 N ATOM 0 H ARG A 30 9.311 15.232 -0.793 1.00 0.35 H new ATOM 0 HA ARG A 30 8.514 15.350 -3.568 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.394 16.674 -2.684 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.228 15.209 -2.208 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.110 16.133 -4.333 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.469 14.515 -4.540 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.231 15.758 -5.165 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.270 17.148 -5.412 1.00 0.62 H new ATOM 0 HE ARG A 30 11.582 15.334 -6.913 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.109 15.990 -6.629 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.765 15.503 -8.292 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.128 14.714 -9.049 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.471 14.782 -9.659 1.00 1.02 H new ATOM 488 N SER A 31 8.271 12.772 -3.604 1.00 0.44 N ATOM 489 CA SER A 31 8.299 11.356 -3.968 1.00 0.51 C ATOM 490 C SER A 31 9.045 10.563 -2.894 1.00 0.51 C ATOM 491 O SER A 31 9.936 9.765 -3.197 1.00 0.86 O ATOM 492 CB SER A 31 8.974 11.185 -5.333 1.00 0.65 C ATOM 493 OG SER A 31 8.414 12.065 -6.297 1.00 0.74 O ATOM 0 H SER A 31 7.350 13.206 -3.671 1.00 0.44 H new ATOM 0 HA SER A 31 7.279 10.977 -4.036 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.043 11.377 -5.240 1.00 0.65 H new ATOM 0 HB3 SER A 31 8.863 10.154 -5.670 1.00 0.65 H new ATOM 0 HG SER A 31 8.864 11.936 -7.158 1.00 0.74 H new ATOM 499 N ASP A 32 8.667 10.793 -1.640 1.00 0.47 N ATOM 500 CA ASP A 32 9.315 10.140 -0.512 1.00 0.47 C ATOM 501 C ASP A 32 8.289 9.570 0.462 1.00 0.49 C ATOM 502 O ASP A 32 7.094 9.517 0.161 1.00 1.05 O ATOM 503 CB ASP A 32 10.217 11.145 0.209 1.00 0.57 C ATOM 504 CG ASP A 32 11.486 10.514 0.740 1.00 0.73 C ATOM 505 OD1 ASP A 32 11.394 9.567 1.544 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.583 10.971 0.350 1.00 0.83 O ATOM 0 H ASP A 32 7.913 11.429 -1.381 1.00 0.47 H new ATOM 0 HA ASP A 32 9.914 9.312 -0.891 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.476 11.951 -0.477 1.00 0.57 H new ATOM 0 HB3 ASP A 32 9.666 11.594 1.035 1.00 0.57 H new ATOM 511 N GLN A 33 8.769 9.146 1.625 1.00 0.35 N ATOM 512 CA GLN A 33 7.927 8.574 2.666 1.00 0.34 C ATOM 513 C GLN A 33 8.525 8.928 4.035 1.00 0.35 C ATOM 514 O GLN A 33 9.201 9.951 4.168 1.00 0.54 O ATOM 515 CB GLN A 33 7.851 7.053 2.480 1.00 0.45 C ATOM 516 CG GLN A 33 6.576 6.420 3.025 1.00 0.53 C ATOM 517 CD GLN A 33 6.834 5.101 3.737 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.880 4.915 4.361 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.882 4.183 3.653 1.00 0.82 N ATOM 0 H GLN A 33 9.758 9.190 1.873 1.00 0.35 H new ATOM 0 HA GLN A 33 6.917 8.979 2.605 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.932 6.824 1.417 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.709 6.595 2.971 1.00 0.45 H new ATOM 0 HG2 GLN A 33 6.097 7.114 3.716 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.878 6.255 2.205 1.00 0.53 H new ATOM 0 HE21 GLN A 33 5.031 4.378 3.126 1.00 0.82 H new ATOM 0 HE22 GLN A 33 6.000 3.282 4.115 1.00 0.82 H new ATOM 528 N HIS A 34 8.279 8.091 5.051 1.00 0.34 N ATOM 529 CA HIS A 34 8.834 8.323 6.384 1.00 0.39 C ATOM 530 C HIS A 34 10.321 8.656 6.267 1.00 0.37 C ATOM 531 O HIS A 34 10.837 9.514 6.979 1.00 0.50 O ATOM 532 CB HIS A 34 8.639 7.079 7.263 1.00 0.48 C ATOM 533 CG HIS A 34 9.380 7.120 8.567 1.00 0.63 C ATOM 534 ND1 HIS A 34 10.299 6.163 8.944 1.00 0.86 N ATOM 535 CD2 HIS A 34 9.323 8.006 9.591 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.770 6.460 10.142 1.00 0.99 C ATOM 537 NE2 HIS A 34 10.196 7.573 10.555 1.00 0.95 N ATOM 0 H HIS A 34 7.703 7.253 4.973 1.00 0.34 H new ATOM 0 HA HIS A 34 8.313 9.161 6.848 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.575 6.956 7.467 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.960 6.200 6.704 1.00 0.48 H new ATOM 0 HD2 HIS A 34 8.704 8.890 9.639 1.00 0.83 H new ATOM 0 HE1 HIS A 34 11.503 5.887 10.691 1.00 0.99 H new ATOM 0 HE2 HIS A 34 10.373 8.036 11.446 1.00 0.95 H new ATOM 546 N ILE A 35 10.984 7.950 5.353 1.00 0.31 N ATOM 547 CA ILE A 35 12.410 8.133 5.079 1.00 0.34 C ATOM 548 C ILE A 35 12.732 7.669 3.655 1.00 0.33 C ATOM 549 O ILE A 35 13.530 8.290 2.953 1.00 0.40 O ATOM 550 CB ILE A 35 13.301 7.359 6.081 1.00 0.39 C ATOM 551 CG1 ILE A 35 13.015 7.809 7.518 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.774 7.559 5.749 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.862 7.113 8.563 1.00 0.51 C ATOM 0 H ILE A 35 10.546 7.231 4.778 1.00 0.31 H new ATOM 0 HA ILE A 35 12.626 9.196 5.188 1.00 0.34 H new ATOM 0 HB ILE A 35 13.066 6.298 5.998 1.00 0.39 H new ATOM 0 HG12 ILE A 35 13.179 8.884 7.590 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.963 7.631 7.741 1.00 0.42 H new ATOM 0 HG21 ILE A 35 15.386 7.008 6.463 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.973 7.193 4.742 1.00 0.52 H new ATOM 0 HG23 ILE A 35 15.019 8.620 5.804 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.599 7.487 9.553 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.682 6.039 8.521 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.916 7.312 8.368 1.00 0.51 H new ATOM 565 N GLN A 36 12.123 6.552 3.249 1.00 0.29 N ATOM 566 CA GLN A 36 12.305 5.997 1.912 1.00 0.30 C ATOM 567 C GLN A 36 11.461 4.737 1.761 1.00 0.30 C ATOM 568 O GLN A 36 11.650 3.772 2.500 1.00 0.64 O ATOM 569 CB GLN A 36 13.775 5.665 1.658 1.00 0.37 C ATOM 570 CG GLN A 36 14.027 4.991 0.315 1.00 0.40 C ATOM 571 CD GLN A 36 15.372 4.284 0.244 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.007 4.241 -0.810 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.805 3.695 1.350 1.00 0.61 N ATOM 0 H GLN A 36 11.492 6.010 3.839 1.00 0.29 H new ATOM 0 HA GLN A 36 11.987 6.741 1.182 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.360 6.583 1.709 1.00 0.37 H new ATOM 0 HB3 GLN A 36 14.134 5.014 2.455 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.233 4.269 0.123 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.975 5.739 -0.476 1.00 0.40 H new ATOM 0 HE21 GLN A 36 15.254 3.750 2.207 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.689 3.187 1.344 1.00 0.61 H new ATOM 582 N LEU A 37 10.516 4.755 0.833 1.00 0.27 N ATOM 583 CA LEU A 37 9.659 3.598 0.598 1.00 0.25 C ATOM 584 C LEU A 37 10.247 2.750 -0.524 1.00 0.22 C ATOM 585 O LEU A 37 10.586 3.272 -1.589 1.00 0.26 O ATOM 586 CB LEU A 37 8.236 4.039 0.238 1.00 0.33 C ATOM 587 CG LEU A 37 7.111 3.165 0.797 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.759 3.784 0.482 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.196 1.752 0.234 1.00 0.53 C ATOM 0 H LEU A 37 10.322 5.555 0.231 1.00 0.27 H new ATOM 0 HA LEU A 37 9.609 3.006 1.512 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.090 5.059 0.594 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.147 4.064 -0.848 1.00 0.33 H new ATOM 0 HG LEU A 37 7.224 3.107 1.880 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.967 3.153 0.885 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.698 4.774 0.933 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.641 3.869 -0.598 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.387 1.148 0.644 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.108 1.787 -0.852 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.154 1.309 0.506 1.00 0.53 H new ATOM 601 N GLN A 38 10.386 1.454 -0.280 1.00 0.23 N ATOM 602 CA GLN A 38 10.942 0.544 -1.272 1.00 0.27 C ATOM 603 C GLN A 38 9.961 -0.584 -1.587 1.00 0.24 C ATOM 604 O GLN A 38 9.343 -1.154 -0.684 1.00 0.32 O ATOM 605 CB GLN A 38 12.275 -0.022 -0.769 1.00 0.38 C ATOM 606 CG GLN A 38 13.348 1.044 -0.580 1.00 0.51 C ATOM 607 CD GLN A 38 14.590 0.521 0.121 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.515 -0.377 0.960 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.740 1.088 -0.212 1.00 0.75 N ATOM 0 H GLN A 38 10.121 1.008 0.598 1.00 0.23 H new ATOM 0 HA GLN A 38 11.119 1.098 -2.194 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.110 -0.534 0.179 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.635 -0.769 -1.476 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.629 1.445 -1.554 1.00 0.51 H new ATOM 0 HG3 GLN A 38 12.933 1.870 -0.003 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.759 1.829 -0.912 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.606 0.783 0.232 1.00 0.75 H new ATOM 618 N LEU A 39 9.805 -0.881 -2.872 1.00 0.24 N ATOM 619 CA LEU A 39 8.903 -1.936 -3.322 1.00 0.24 C ATOM 620 C LEU A 39 9.477 -2.621 -4.556 1.00 0.26 C ATOM 621 O LEU A 39 9.400 -2.082 -5.662 1.00 0.34 O ATOM 622 CB LEU A 39 7.515 -1.352 -3.626 1.00 0.26 C ATOM 623 CG LEU A 39 6.403 -2.375 -3.897 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.037 -1.708 -3.821 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.599 -3.034 -5.255 1.00 0.41 C ATOM 0 H LEU A 39 10.296 -0.402 -3.627 1.00 0.24 H new ATOM 0 HA LEU A 39 8.799 -2.677 -2.529 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.212 -0.729 -2.785 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.599 -0.697 -4.493 1.00 0.26 H new ATOM 0 HG LEU A 39 6.454 -3.148 -3.131 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.260 -2.447 -4.016 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.894 -1.284 -2.827 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.978 -0.914 -4.566 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.801 -3.756 -5.428 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.576 -2.273 -6.035 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.561 -3.546 -5.276 1.00 0.41 H new ATOM 637 N SER A 40 10.075 -3.793 -4.354 1.00 0.25 N ATOM 638 CA SER A 40 10.685 -4.566 -5.438 1.00 0.28 C ATOM 639 C SER A 40 11.381 -5.811 -4.876 1.00 0.29 C ATOM 640 O SER A 40 11.233 -6.122 -3.691 1.00 0.38 O ATOM 641 CB SER A 40 11.699 -3.697 -6.201 1.00 0.36 C ATOM 642 OG SER A 40 11.068 -2.900 -7.188 1.00 0.55 O ATOM 0 H SER A 40 10.151 -4.234 -3.438 1.00 0.25 H new ATOM 0 HA SER A 40 9.901 -4.882 -6.126 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.229 -3.054 -5.498 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.445 -4.337 -6.672 1.00 0.36 H new ATOM 0 HG SER A 40 10.466 -2.259 -6.755 1.00 0.55 H new ATOM 648 N ALA A 41 12.106 -6.528 -5.739 1.00 0.33 N ATOM 649 CA ALA A 41 12.857 -7.725 -5.345 1.00 0.37 C ATOM 650 C ALA A 41 11.965 -8.962 -5.226 1.00 0.36 C ATOM 651 O ALA A 41 12.206 -9.832 -4.385 1.00 0.76 O ATOM 652 CB ALA A 41 13.615 -7.480 -4.045 1.00 0.46 C ATOM 0 H ALA A 41 12.189 -6.296 -6.729 1.00 0.33 H new ATOM 0 HA ALA A 41 13.575 -7.927 -6.140 1.00 0.37 H new ATOM 0 HB1 ALA A 41 14.166 -8.380 -3.770 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.314 -6.654 -4.181 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.908 -7.231 -3.253 1.00 0.46 H new ATOM 658 N GLU A 42 10.952 -9.052 -6.081 1.00 0.35 N ATOM 659 CA GLU A 42 10.046 -10.193 -6.079 1.00 0.30 C ATOM 660 C GLU A 42 9.665 -10.566 -7.506 1.00 0.33 C ATOM 661 O GLU A 42 9.781 -9.742 -8.420 1.00 0.51 O ATOM 662 CB GLU A 42 8.789 -9.906 -5.249 1.00 0.32 C ATOM 663 CG GLU A 42 8.952 -10.177 -3.759 1.00 0.54 C ATOM 664 CD GLU A 42 9.548 -11.543 -3.461 1.00 0.76 C ATOM 665 OE1 GLU A 42 9.091 -12.549 -4.047 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.480 -11.616 -2.633 1.00 1.05 O ATOM 0 H GLU A 42 10.738 -8.346 -6.786 1.00 0.35 H new ATOM 0 HA GLU A 42 10.565 -11.034 -5.619 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.505 -8.863 -5.389 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.968 -10.514 -5.630 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.589 -9.407 -3.324 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.979 -10.098 -3.273 1.00 0.54 H new ATOM 673 N SER A 43 9.230 -11.805 -7.690 1.00 0.31 N ATOM 674 CA SER A 43 8.845 -12.303 -9.006 1.00 0.38 C ATOM 675 C SER A 43 7.615 -11.574 -9.539 1.00 0.34 C ATOM 676 O SER A 43 6.752 -11.151 -8.767 1.00 0.61 O ATOM 677 CB SER A 43 8.577 -13.809 -8.939 1.00 0.52 C ATOM 678 OG SER A 43 8.747 -14.306 -7.615 1.00 1.04 O ATOM 0 H SER A 43 9.134 -12.489 -6.939 1.00 0.31 H new ATOM 0 HA SER A 43 9.670 -12.114 -9.692 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.563 -14.016 -9.280 1.00 0.52 H new ATOM 0 HB3 SER A 43 9.253 -14.331 -9.616 1.00 0.52 H new ATOM 0 HG SER A 43 7.905 -14.216 -7.121 1.00 1.04 H new ATOM 684 N VAL A 44 7.545 -11.447 -10.865 1.00 0.39 N ATOM 685 CA VAL A 44 6.432 -10.772 -11.540 1.00 0.39 C ATOM 686 C VAL A 44 5.118 -10.917 -10.768 1.00 0.36 C ATOM 687 O VAL A 44 4.675 -12.032 -10.467 1.00 0.59 O ATOM 688 CB VAL A 44 6.238 -11.298 -12.985 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.073 -12.814 -13.001 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.043 -10.621 -13.648 1.00 0.58 C ATOM 0 H VAL A 44 8.256 -11.808 -11.501 1.00 0.39 H new ATOM 0 HA VAL A 44 6.697 -9.715 -11.578 1.00 0.39 H new ATOM 0 HB VAL A 44 7.134 -11.052 -13.554 1.00 0.52 H new ATOM 0 HG11 VAL A 44 5.939 -13.155 -14.028 1.00 0.60 H new ATOM 0 HG12 VAL A 44 6.962 -13.281 -12.577 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.200 -13.091 -12.410 1.00 0.60 H new ATOM 0 HG21 VAL A 44 4.924 -11.004 -14.662 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.141 -10.830 -13.073 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.209 -9.544 -13.684 1.00 0.58 H new ATOM 700 N GLY A 45 4.507 -9.783 -10.446 1.00 0.32 N ATOM 701 CA GLY A 45 3.256 -9.788 -9.712 1.00 0.33 C ATOM 702 C GLY A 45 3.472 -9.661 -8.215 1.00 0.28 C ATOM 703 O GLY A 45 2.831 -8.840 -7.555 1.00 0.33 O ATOM 0 H GLY A 45 4.858 -8.855 -10.682 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.630 -8.966 -10.058 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.716 -10.711 -9.923 1.00 0.33 H new ATOM 707 N GLU A 46 4.387 -10.465 -7.682 1.00 0.27 N ATOM 708 CA GLU A 46 4.693 -10.447 -6.259 1.00 0.28 C ATOM 709 C GLU A 46 5.523 -9.212 -5.932 1.00 0.24 C ATOM 710 O GLU A 46 6.498 -8.909 -6.622 1.00 0.31 O ATOM 711 CB GLU A 46 5.452 -11.716 -5.851 1.00 0.39 C ATOM 712 CG GLU A 46 4.781 -13.005 -6.309 1.00 0.51 C ATOM 713 CD GLU A 46 5.549 -14.250 -5.911 1.00 0.64 C ATOM 714 OE1 GLU A 46 6.461 -14.662 -6.659 1.00 0.86 O ATOM 715 OE2 GLU A 46 5.232 -14.843 -4.860 1.00 0.82 O ATOM 0 H GLU A 46 4.931 -11.140 -8.219 1.00 0.27 H new ATOM 0 HA GLU A 46 3.758 -10.414 -5.699 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.460 -11.675 -6.264 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.553 -11.735 -4.766 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.777 -13.054 -5.887 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.671 -12.985 -7.393 1.00 0.51 H new ATOM 722 N VAL A 47 5.133 -8.490 -4.893 1.00 0.22 N ATOM 723 CA VAL A 47 5.850 -7.289 -4.504 1.00 0.25 C ATOM 724 C VAL A 47 6.078 -7.223 -3.000 1.00 0.23 C ATOM 725 O VAL A 47 5.203 -7.576 -2.204 1.00 0.29 O ATOM 726 CB VAL A 47 5.113 -6.013 -4.964 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.138 -5.899 -6.483 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.681 -5.991 -4.440 1.00 0.35 C ATOM 0 H VAL A 47 4.328 -8.714 -4.308 1.00 0.22 H new ATOM 0 HA VAL A 47 6.819 -7.339 -5.001 1.00 0.25 H new ATOM 0 HB VAL A 47 5.634 -5.150 -4.548 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.614 -4.994 -6.789 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.171 -5.854 -6.828 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.647 -6.768 -6.921 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.184 -5.082 -4.778 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.142 -6.861 -4.816 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.692 -6.015 -3.350 1.00 0.35 H new ATOM 738 N TYR A 48 7.273 -6.777 -2.632 1.00 0.22 N ATOM 739 CA TYR A 48 7.660 -6.619 -1.239 1.00 0.22 C ATOM 740 C TYR A 48 7.708 -5.130 -0.908 1.00 0.22 C ATOM 741 O TYR A 48 8.525 -4.394 -1.464 1.00 0.29 O ATOM 742 CB TYR A 48 9.024 -7.280 -0.985 1.00 0.25 C ATOM 743 CG TYR A 48 9.721 -6.805 0.276 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.265 -7.181 1.534 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.837 -5.979 0.202 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.901 -6.746 2.682 1.00 0.66 C ATOM 747 CE2 TYR A 48 11.479 -5.541 1.345 1.00 0.74 C ATOM 748 CZ TYR A 48 11.006 -5.927 2.583 1.00 0.72 C ATOM 749 OH TYR A 48 11.639 -5.491 3.724 1.00 0.92 O ATOM 0 H TYR A 48 8.002 -6.514 -3.295 1.00 0.22 H new ATOM 0 HA TYR A 48 6.929 -7.108 -0.595 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.886 -8.360 -0.926 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.673 -7.088 -1.840 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.400 -7.823 1.616 1.00 0.49 H new ATOM 0 HD2 TYR A 48 11.209 -5.674 -0.765 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.534 -7.046 3.652 1.00 0.66 H new ATOM 0 HE2 TYR A 48 12.345 -4.901 1.270 1.00 0.74 H new ATOM 0 HH TYR A 48 11.072 -5.672 4.502 1.00 0.92 H new ATOM 759 N ILE A 49 6.822 -4.691 -0.020 1.00 0.21 N ATOM 760 CA ILE A 49 6.744 -3.283 0.361 1.00 0.22 C ATOM 761 C ILE A 49 7.564 -3.001 1.618 1.00 0.23 C ATOM 762 O ILE A 49 7.255 -3.500 2.701 1.00 0.37 O ATOM 763 CB ILE A 49 5.280 -2.846 0.598 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.434 -3.114 -0.653 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.223 -1.372 0.977 1.00 0.30 C ATOM 766 CD1 ILE A 49 2.952 -2.874 -0.454 1.00 0.38 C ATOM 0 H ILE A 49 6.145 -5.291 0.451 1.00 0.21 H new ATOM 0 HA ILE A 49 7.157 -2.708 -0.468 1.00 0.22 H new ATOM 0 HB ILE A 49 4.870 -3.430 1.422 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.790 -2.478 -1.463 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.586 -4.146 -0.968 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.186 -1.078 1.141 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.795 -1.209 1.890 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.647 -0.773 0.171 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.421 -3.085 -1.383 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.580 -3.529 0.333 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.787 -1.835 -0.170 1.00 0.38 H new ATOM 778 N LYS A 50 8.605 -2.194 1.467 1.00 0.21 N ATOM 779 CA LYS A 50 9.467 -1.841 2.582 1.00 0.25 C ATOM 780 C LYS A 50 9.417 -0.342 2.857 1.00 0.21 C ATOM 781 O LYS A 50 9.849 0.469 2.035 1.00 0.26 O ATOM 782 CB LYS A 50 10.908 -2.268 2.296 1.00 0.34 C ATOM 783 CG LYS A 50 11.877 -1.952 3.424 1.00 0.49 C ATOM 784 CD LYS A 50 11.449 -2.599 4.732 1.00 0.73 C ATOM 785 CE LYS A 50 12.583 -2.612 5.745 1.00 1.35 C ATOM 786 NZ LYS A 50 12.757 -1.291 6.411 1.00 1.74 N ATOM 0 H LYS A 50 8.872 -1.771 0.578 1.00 0.21 H new ATOM 0 HA LYS A 50 9.106 -2.367 3.466 1.00 0.25 H new ATOM 0 HB2 LYS A 50 10.928 -3.341 2.102 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.250 -1.774 1.387 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.874 -2.300 3.155 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.941 -0.872 3.556 1.00 0.49 H new ATOM 0 HD2 LYS A 50 10.597 -2.058 5.145 1.00 0.73 H new ATOM 0 HD3 LYS A 50 11.117 -3.620 4.543 1.00 0.73 H new ATOM 0 HE2 LYS A 50 12.386 -3.374 6.499 1.00 1.35 H new ATOM 0 HE3 LYS A 50 13.511 -2.890 5.246 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 13.551 -1.342 7.080 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 12.954 -0.564 5.694 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 11.887 -1.044 6.924 1.00 1.74 H new ATOM 800 N SER A 51 8.876 0.019 4.010 1.00 0.24 N ATOM 801 CA SER A 51 8.795 1.413 4.408 1.00 0.25 C ATOM 802 C SER A 51 10.035 1.779 5.218 1.00 0.25 C ATOM 803 O SER A 51 10.272 1.210 6.285 1.00 0.33 O ATOM 804 CB SER A 51 7.522 1.666 5.224 1.00 0.32 C ATOM 805 OG SER A 51 6.368 1.646 4.395 1.00 0.53 O ATOM 0 H SER A 51 8.486 -0.637 4.687 1.00 0.24 H new ATOM 0 HA SER A 51 8.752 2.040 3.517 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.428 0.907 6.001 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.595 2.630 5.727 1.00 0.32 H new ATOM 0 HG SER A 51 6.202 0.731 4.087 1.00 0.53 H new ATOM 811 N THR A 52 10.828 2.710 4.695 1.00 0.24 N ATOM 812 CA THR A 52 12.053 3.155 5.350 1.00 0.28 C ATOM 813 C THR A 52 13.166 2.122 5.146 1.00 0.28 C ATOM 814 O THR A 52 12.922 0.913 5.211 1.00 0.34 O ATOM 815 CB THR A 52 11.842 3.416 6.860 1.00 0.32 C ATOM 816 OG1 THR A 52 10.720 4.294 7.060 1.00 0.35 O ATOM 817 CG2 THR A 52 13.084 4.032 7.483 1.00 0.38 C ATOM 0 H THR A 52 10.640 3.176 3.807 1.00 0.24 H new ATOM 0 HA THR A 52 12.344 4.100 4.891 1.00 0.28 H new ATOM 0 HB THR A 52 11.646 2.459 7.343 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.902 4.891 7.816 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.910 4.206 8.545 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.928 3.353 7.360 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.306 4.979 6.992 1.00 0.38 H new ATOM 825 N GLU A 53 14.384 2.601 4.889 1.00 0.31 N ATOM 826 CA GLU A 53 15.530 1.720 4.666 1.00 0.35 C ATOM 827 C GLU A 53 15.633 0.683 5.785 1.00 0.31 C ATOM 828 O GLU A 53 15.771 -0.512 5.531 1.00 0.37 O ATOM 829 CB GLU A 53 16.824 2.539 4.588 1.00 0.43 C ATOM 830 CG GLU A 53 18.032 1.757 4.086 1.00 0.47 C ATOM 831 CD GLU A 53 18.143 1.748 2.575 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.192 2.840 1.969 1.00 0.73 O ATOM 833 OE2 GLU A 53 18.183 0.652 1.984 1.00 0.74 O ATOM 0 H GLU A 53 14.602 3.596 4.830 1.00 0.31 H new ATOM 0 HA GLU A 53 15.385 1.199 3.719 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.660 3.393 3.931 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.049 2.936 5.578 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.939 2.189 4.509 1.00 0.47 H new ATOM 0 HG3 GLU A 53 17.969 0.730 4.447 1.00 0.47 H new ATOM 840 N THR A 54 15.536 1.149 7.023 1.00 0.28 N ATOM 841 CA THR A 54 15.625 0.272 8.180 1.00 0.31 C ATOM 842 C THR A 54 14.592 0.646 9.245 1.00 0.33 C ATOM 843 O THR A 54 13.975 1.714 9.177 1.00 0.52 O ATOM 844 CB THR A 54 17.038 0.336 8.792 1.00 0.40 C ATOM 845 OG1 THR A 54 17.470 1.702 8.870 1.00 0.63 O ATOM 846 CG2 THR A 54 18.029 -0.462 7.959 1.00 0.68 C ATOM 0 H THR A 54 15.395 2.133 7.251 1.00 0.28 H new ATOM 0 HA THR A 54 15.419 -0.743 7.840 1.00 0.31 H new ATOM 0 HB THR A 54 16.998 -0.097 9.791 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.368 1.739 9.261 1.00 0.63 H new ATOM 0 HG21 THR A 54 19.018 -0.400 8.413 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.713 -1.504 7.918 1.00 0.68 H new ATOM 0 HG23 THR A 54 18.067 -0.054 6.949 1.00 0.68 H new ATOM 854 N GLY A 55 14.397 -0.244 10.214 1.00 0.39 N ATOM 855 CA GLY A 55 13.460 0.013 11.289 1.00 0.44 C ATOM 856 C GLY A 55 12.028 -0.298 10.911 1.00 0.42 C ATOM 857 O GLY A 55 11.475 -1.318 11.330 1.00 0.76 O ATOM 0 H GLY A 55 14.875 -1.143 10.272 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.739 -0.584 12.157 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.533 1.060 11.585 1.00 0.44 H new ATOM 861 N GLN A 56 11.428 0.576 10.115 1.00 0.34 N ATOM 862 CA GLN A 56 10.045 0.402 9.689 1.00 0.30 C ATOM 863 C GLN A 56 9.895 -0.801 8.759 1.00 0.27 C ATOM 864 O GLN A 56 10.799 -1.123 7.979 1.00 0.38 O ATOM 865 CB GLN A 56 9.536 1.671 9.000 1.00 0.37 C ATOM 866 CG GLN A 56 8.841 2.641 9.942 1.00 0.49 C ATOM 867 CD GLN A 56 7.489 2.132 10.402 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.482 2.327 9.726 1.00 1.02 O ATOM 869 NE2 GLN A 56 7.452 1.481 11.558 1.00 0.89 N ATOM 0 H GLN A 56 11.878 1.415 9.750 1.00 0.34 H new ATOM 0 HA GLN A 56 9.443 0.215 10.579 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.376 2.178 8.526 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.844 1.390 8.206 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.475 2.816 10.811 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.714 3.601 9.442 1.00 0.49 H new ATOM 0 HE21 GLN A 56 8.310 1.339 12.091 1.00 0.89 H new ATOM 0 HE22 GLN A 56 6.566 1.123 11.913 1.00 0.89 H new ATOM 878 N TYR A 57 8.746 -1.457 8.855 1.00 0.24 N ATOM 879 CA TYR A 57 8.431 -2.629 8.046 1.00 0.23 C ATOM 880 C TYR A 57 6.939 -2.624 7.724 1.00 0.25 C ATOM 881 O TYR A 57 6.114 -2.470 8.622 1.00 0.42 O ATOM 882 CB TYR A 57 8.815 -3.899 8.812 1.00 0.26 C ATOM 883 CG TYR A 57 8.870 -5.160 7.973 1.00 0.35 C ATOM 884 CD1 TYR A 57 9.983 -5.456 7.197 1.00 0.53 C ATOM 885 CD2 TYR A 57 7.816 -6.066 7.980 1.00 0.54 C ATOM 886 CE1 TYR A 57 10.047 -6.622 6.455 1.00 0.73 C ATOM 887 CE2 TYR A 57 7.870 -7.232 7.236 1.00 0.73 C ATOM 888 CZ TYR A 57 8.988 -7.507 6.476 1.00 0.79 C ATOM 889 OH TYR A 57 9.057 -8.678 5.746 1.00 1.03 O ATOM 0 H TYR A 57 8.002 -1.190 9.500 1.00 0.24 H new ATOM 0 HA TYR A 57 8.995 -2.605 7.114 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.790 -3.746 9.275 1.00 0.26 H new ATOM 0 HB3 TYR A 57 8.099 -4.049 9.620 1.00 0.26 H new ATOM 0 HD1 TYR A 57 10.812 -4.765 7.172 1.00 0.53 H new ATOM 0 HD2 TYR A 57 6.940 -5.857 8.576 1.00 0.54 H new ATOM 0 HE1 TYR A 57 10.923 -6.839 5.861 1.00 0.73 H new ATOM 0 HE2 TYR A 57 7.040 -7.923 7.250 1.00 0.73 H new ATOM 0 HH TYR A 57 8.393 -8.654 5.025 1.00 1.03 H new ATOM 899 N LEU A 58 6.593 -2.782 6.453 1.00 0.20 N ATOM 900 CA LEU A 58 5.192 -2.763 6.040 1.00 0.22 C ATOM 901 C LEU A 58 4.564 -4.142 6.199 1.00 0.23 C ATOM 902 O LEU A 58 5.063 -5.128 5.652 1.00 0.30 O ATOM 903 CB LEU A 58 5.068 -2.286 4.587 1.00 0.27 C ATOM 904 CG LEU A 58 3.710 -1.680 4.199 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.600 -2.716 4.313 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.401 -0.463 5.063 1.00 0.38 C ATOM 0 H LEU A 58 7.258 -2.924 5.692 1.00 0.20 H new ATOM 0 HA LEU A 58 4.656 -2.065 6.684 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.843 -1.543 4.400 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.270 -3.130 3.928 1.00 0.27 H new ATOM 0 HG LEU A 58 3.766 -1.359 3.159 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.649 -2.263 4.033 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.813 -3.552 3.647 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.542 -3.076 5.340 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.436 -0.047 4.774 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.369 -0.760 6.111 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.177 0.290 4.922 1.00 0.38 H new ATOM 918 N ALA A 59 3.475 -4.207 6.956 1.00 0.23 N ATOM 919 CA ALA A 59 2.774 -5.460 7.184 1.00 0.27 C ATOM 920 C ALA A 59 1.268 -5.227 7.275 1.00 0.24 C ATOM 921 O ALA A 59 0.815 -4.162 7.710 1.00 0.26 O ATOM 922 CB ALA A 59 3.294 -6.134 8.445 1.00 0.35 C ATOM 0 H ALA A 59 3.059 -3.402 7.423 1.00 0.23 H new ATOM 0 HA ALA A 59 2.962 -6.121 6.338 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.760 -7.071 8.603 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.359 -6.337 8.336 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.136 -5.477 9.300 1.00 0.35 H new ATOM 928 N MET A 60 0.497 -6.220 6.857 1.00 0.28 N ATOM 929 CA MET A 60 -0.957 -6.131 6.892 1.00 0.30 C ATOM 930 C MET A 60 -1.523 -7.084 7.935 1.00 0.26 C ATOM 931 O MET A 60 -0.943 -8.137 8.209 1.00 0.44 O ATOM 932 CB MET A 60 -1.560 -6.458 5.518 1.00 0.40 C ATOM 933 CG MET A 60 -1.269 -7.875 5.038 1.00 0.73 C ATOM 934 SD MET A 60 -2.607 -8.567 4.043 1.00 0.93 S ATOM 935 CE MET A 60 -3.870 -8.792 5.293 1.00 1.97 C ATOM 0 H MET A 60 0.855 -7.101 6.488 1.00 0.28 H new ATOM 0 HA MET A 60 -1.222 -5.108 7.157 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.640 -6.314 5.562 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.174 -5.750 4.785 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.350 -7.873 4.452 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.095 -8.517 5.901 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.576 -9.554 4.964 1.00 1.97 H new ATOM 0 HE2 MET A 60 -3.405 -9.107 6.227 1.00 1.97 H new ATOM 0 HE3 MET A 60 -4.398 -7.852 5.450 1.00 1.97 H new ATOM 945 N ASP A 61 -2.643 -6.698 8.529 1.00 0.30 N ATOM 946 CA ASP A 61 -3.306 -7.527 9.526 1.00 0.31 C ATOM 947 C ASP A 61 -4.382 -8.370 8.856 1.00 0.29 C ATOM 948 O ASP A 61 -5.093 -7.886 7.969 1.00 0.34 O ATOM 949 CB ASP A 61 -3.936 -6.678 10.631 1.00 0.42 C ATOM 950 CG ASP A 61 -4.528 -7.539 11.726 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.605 -8.128 11.504 1.00 0.96 O ATOM 952 OD2 ASP A 61 -3.915 -7.637 12.811 1.00 0.94 O ATOM 0 H ASP A 61 -3.113 -5.813 8.337 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.555 -8.173 9.981 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.182 -6.015 11.056 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.714 -6.044 10.205 1.00 0.42 H new ATOM 957 N THR A 62 -4.503 -9.622 9.286 1.00 0.37 N ATOM 958 CA THR A 62 -5.485 -10.547 8.725 1.00 0.44 C ATOM 959 C THR A 62 -6.876 -9.909 8.643 1.00 0.41 C ATOM 960 O THR A 62 -7.607 -10.122 7.672 1.00 0.50 O ATOM 961 CB THR A 62 -5.559 -11.862 9.543 1.00 0.59 C ATOM 962 OG1 THR A 62 -6.416 -12.813 8.891 1.00 0.85 O ATOM 963 CG2 THR A 62 -6.066 -11.603 10.957 1.00 0.74 C ATOM 0 H THR A 62 -3.929 -10.023 10.027 1.00 0.37 H new ATOM 0 HA THR A 62 -5.151 -10.784 7.715 1.00 0.44 H new ATOM 0 HB THR A 62 -4.550 -12.270 9.605 1.00 0.59 H new ATOM 0 HG1 THR A 62 -6.451 -13.638 9.419 1.00 0.85 H new ATOM 0 HG21 THR A 62 -6.107 -12.543 11.507 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.391 -10.915 11.465 1.00 0.74 H new ATOM 0 HG23 THR A 62 -7.063 -11.165 10.911 1.00 0.74 H new ATOM 971 N ASP A 63 -7.232 -9.107 9.647 1.00 0.36 N ATOM 972 CA ASP A 63 -8.541 -8.452 9.679 1.00 0.41 C ATOM 973 C ASP A 63 -8.748 -7.597 8.434 1.00 0.40 C ATOM 974 O ASP A 63 -9.861 -7.492 7.915 1.00 0.65 O ATOM 975 CB ASP A 63 -8.686 -7.577 10.929 1.00 0.47 C ATOM 976 CG ASP A 63 -10.092 -7.029 11.089 1.00 0.62 C ATOM 977 OD1 ASP A 63 -10.936 -7.718 11.699 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.358 -5.906 10.615 1.00 0.75 O ATOM 0 H ASP A 63 -6.635 -8.895 10.446 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.300 -9.234 9.705 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.424 -8.161 11.811 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -7.980 -6.749 10.874 1.00 0.47 H new ATOM 983 N GLY A 64 -7.662 -7.012 7.943 1.00 0.45 N ATOM 984 CA GLY A 64 -7.733 -6.166 6.772 1.00 0.50 C ATOM 985 C GLY A 64 -7.265 -4.758 7.063 1.00 0.43 C ATOM 986 O GLY A 64 -7.995 -3.794 6.818 1.00 0.64 O ATOM 0 H GLY A 64 -6.728 -7.111 8.340 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.122 -6.594 5.977 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.759 -6.139 6.406 1.00 0.50 H new ATOM 990 N LEU A 65 -6.046 -4.644 7.580 1.00 0.40 N ATOM 991 CA LEU A 65 -5.464 -3.350 7.915 1.00 0.34 C ATOM 992 C LEU A 65 -3.973 -3.352 7.581 1.00 0.33 C ATOM 993 O LEU A 65 -3.291 -4.356 7.791 1.00 0.60 O ATOM 994 CB LEU A 65 -5.682 -3.048 9.405 1.00 0.37 C ATOM 995 CG LEU A 65 -5.825 -1.564 9.770 1.00 0.71 C ATOM 996 CD1 LEU A 65 -4.476 -0.861 9.733 1.00 1.23 C ATOM 997 CD2 LEU A 65 -6.811 -0.879 8.833 1.00 1.16 C ATOM 0 H LEU A 65 -5.438 -5.439 7.777 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.953 -2.572 7.329 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.579 -3.572 9.736 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.845 -3.462 9.967 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.210 -1.500 10.788 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -4.606 0.189 9.995 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -3.800 -1.333 10.446 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.054 -0.935 8.731 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -6.901 0.173 9.105 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -6.453 -0.959 7.807 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -7.786 -1.360 8.916 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.481 -2.242 7.038 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.071 -2.113 6.679 1.00 0.36 C ATOM 1011 C LEU A 66 -1.345 -1.273 7.721 1.00 0.34 C ATOM 1012 O LEU A 66 -1.817 -0.196 8.091 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.927 -1.467 5.295 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.393 -2.327 4.110 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -3.888 -2.591 4.181 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.031 -1.656 2.793 1.00 0.61 C ATOM 0 H LEU A 66 -4.041 -1.414 6.836 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.627 -3.108 6.648 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.491 -0.535 5.288 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.880 -1.207 5.142 1.00 0.41 H new ATOM 0 HG LEU A 66 -1.879 -3.287 4.165 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.190 -3.202 3.330 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.121 -3.117 5.107 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.426 -1.644 4.157 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.368 -2.278 1.963 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.515 -0.681 2.736 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.950 -1.528 2.735 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.207 -1.762 8.199 1.00 0.28 N ATOM 1029 CA TYR A 67 0.555 -1.046 9.212 1.00 0.33 C ATOM 1030 C TYR A 67 2.062 -1.151 8.980 1.00 0.30 C ATOM 1031 O TYR A 67 2.540 -2.056 8.287 1.00 0.32 O ATOM 1032 CB TYR A 67 0.204 -1.574 10.605 1.00 0.43 C ATOM 1033 CG TYR A 67 0.354 -3.073 10.750 1.00 0.41 C ATOM 1034 CD1 TYR A 67 1.592 -3.644 11.011 1.00 0.55 C ATOM 1035 CD2 TYR A 67 -0.745 -3.914 10.631 1.00 0.45 C ATOM 1036 CE1 TYR A 67 1.732 -5.011 11.144 1.00 0.65 C ATOM 1037 CE2 TYR A 67 -0.612 -5.282 10.764 1.00 0.55 C ATOM 1038 CZ TYR A 67 0.628 -5.826 11.021 1.00 0.63 C ATOM 1039 OH TYR A 67 0.763 -7.191 11.161 1.00 0.80 O ATOM 0 H TYR A 67 0.206 -2.646 7.903 1.00 0.28 H new ATOM 0 HA TYR A 67 0.284 0.007 9.139 1.00 0.33 H new ATOM 0 HB2 TYR A 67 0.841 -1.082 11.340 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.824 -1.298 10.839 1.00 0.43 H new ATOM 0 HD1 TYR A 67 2.460 -3.009 11.112 1.00 0.55 H new ATOM 0 HD2 TYR A 67 -1.719 -3.491 10.431 1.00 0.45 H new ATOM 0 HE1 TYR A 67 2.703 -5.440 11.344 1.00 0.65 H new ATOM 0 HE2 TYR A 67 -1.476 -5.923 10.667 1.00 0.55 H new ATOM 0 HH TYR A 67 -0.111 -7.620 11.046 1.00 0.80 H new ATOM 1049 N GLY A 68 2.794 -0.207 9.563 1.00 0.34 N ATOM 1050 CA GLY A 68 4.238 -0.184 9.450 1.00 0.38 C ATOM 1051 C GLY A 68 4.901 -0.431 10.790 1.00 0.52 C ATOM 1052 O GLY A 68 4.904 0.444 11.656 1.00 1.27 O ATOM 0 H GLY A 68 2.403 0.553 10.120 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.561 -0.943 8.737 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.558 0.780 9.056 1.00 0.38 H new ATOM 1056 N SER A 69 5.452 -1.624 10.968 1.00 0.36 N ATOM 1057 CA SER A 69 6.109 -1.991 12.214 1.00 0.39 C ATOM 1058 C SER A 69 7.062 -3.159 11.974 1.00 0.32 C ATOM 1059 O SER A 69 6.763 -4.055 11.183 1.00 0.37 O ATOM 1060 CB SER A 69 5.064 -2.358 13.275 1.00 0.51 C ATOM 1061 OG SER A 69 5.646 -2.457 14.564 1.00 1.23 O ATOM 0 H SER A 69 5.456 -2.358 10.260 1.00 0.36 H new ATOM 0 HA SER A 69 6.684 -1.140 12.578 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.276 -1.605 13.287 1.00 0.51 H new ATOM 0 HB3 SER A 69 4.595 -3.306 13.013 1.00 0.51 H new ATOM 0 HG SER A 69 4.955 -2.690 15.218 1.00 1.23 H new ATOM 1067 N GLN A 70 8.210 -3.134 12.646 1.00 0.31 N ATOM 1068 CA GLN A 70 9.216 -4.181 12.499 1.00 0.33 C ATOM 1069 C GLN A 70 8.645 -5.537 12.912 1.00 0.32 C ATOM 1070 O GLN A 70 8.619 -5.882 14.097 1.00 0.45 O ATOM 1071 CB GLN A 70 10.461 -3.848 13.332 1.00 0.43 C ATOM 1072 CG GLN A 70 11.736 -4.513 12.826 1.00 0.61 C ATOM 1073 CD GLN A 70 11.846 -5.979 13.215 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.371 -6.393 14.275 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.471 -6.776 12.358 1.00 1.29 N ATOM 0 H GLN A 70 8.467 -2.396 13.301 1.00 0.31 H new ATOM 0 HA GLN A 70 9.505 -4.235 11.449 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.604 -2.767 13.339 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.288 -4.153 14.364 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.775 -4.429 11.740 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.599 -3.975 13.219 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.850 -6.395 11.491 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.572 -7.769 12.566 1.00 1.29 H new ATOM 1084 N THR A 71 8.153 -6.282 11.930 1.00 0.29 N ATOM 1085 CA THR A 71 7.588 -7.604 12.163 1.00 0.33 C ATOM 1086 C THR A 71 7.609 -8.420 10.869 1.00 0.30 C ATOM 1087 O THR A 71 6.683 -8.345 10.063 1.00 0.38 O ATOM 1088 CB THR A 71 6.140 -7.515 12.699 1.00 0.43 C ATOM 1089 OG1 THR A 71 6.070 -6.581 13.789 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.645 -8.874 13.168 1.00 0.58 C ATOM 0 H THR A 71 8.135 -5.988 10.954 1.00 0.29 H new ATOM 0 HA THR A 71 8.200 -8.098 12.918 1.00 0.33 H new ATOM 0 HB THR A 71 5.503 -7.173 11.883 1.00 0.43 H new ATOM 0 HG1 THR A 71 6.937 -6.543 14.243 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.625 -8.781 13.540 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.665 -9.576 12.334 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.290 -9.240 13.967 1.00 0.58 H new ATOM 1098 N PRO A 72 8.685 -9.190 10.642 1.00 0.30 N ATOM 1099 CA PRO A 72 8.819 -10.015 9.442 1.00 0.33 C ATOM 1100 C PRO A 72 7.821 -11.166 9.443 1.00 0.31 C ATOM 1101 O PRO A 72 7.832 -12.005 10.346 1.00 0.44 O ATOM 1102 CB PRO A 72 10.253 -10.542 9.525 1.00 0.44 C ATOM 1103 CG PRO A 72 10.591 -10.502 10.974 1.00 0.50 C ATOM 1104 CD PRO A 72 9.846 -9.326 11.541 1.00 0.41 C ATOM 0 HA PRO A 72 8.620 -9.456 8.528 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.325 -11.555 9.130 1.00 0.44 H new ATOM 0 HB3 PRO A 72 10.936 -9.923 8.943 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.295 -11.427 11.469 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.665 -10.391 11.121 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.538 -9.505 12.571 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.460 -8.425 11.544 1.00 0.41 H new ATOM 1112 N ASN A 73 6.943 -11.192 8.449 1.00 0.28 N ATOM 1113 CA ASN A 73 5.943 -12.249 8.343 1.00 0.31 C ATOM 1114 C ASN A 73 5.409 -12.351 6.915 1.00 0.28 C ATOM 1115 O ASN A 73 5.355 -11.353 6.193 1.00 0.31 O ATOM 1116 CB ASN A 73 4.793 -12.002 9.324 1.00 0.38 C ATOM 1117 CG ASN A 73 4.131 -13.293 9.762 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.201 -13.778 9.124 1.00 1.01 O ATOM 1119 ND2 ASN A 73 4.610 -13.860 10.856 1.00 1.26 N ATOM 0 H ASN A 73 6.902 -10.495 7.705 1.00 0.28 H new ATOM 0 HA ASN A 73 6.422 -13.194 8.599 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.171 -11.474 10.199 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.051 -11.355 8.857 1.00 0.38 H new ATOM 0 HD21 ASN A 73 4.205 -14.732 11.198 1.00 1.26 H new ATOM 0 HD22 ASN A 73 5.384 -13.426 11.358 1.00 1.26 H new ATOM 1126 N GLU A 74 5.010 -13.560 6.522 1.00 0.28 N ATOM 1127 CA GLU A 74 4.489 -13.823 5.176 1.00 0.30 C ATOM 1128 C GLU A 74 3.505 -12.739 4.729 1.00 0.28 C ATOM 1129 O GLU A 74 3.469 -12.371 3.553 1.00 0.31 O ATOM 1130 CB GLU A 74 3.792 -15.181 5.134 1.00 0.37 C ATOM 1131 CG GLU A 74 4.642 -16.349 5.616 1.00 0.45 C ATOM 1132 CD GLU A 74 3.815 -17.591 5.873 1.00 0.56 C ATOM 1133 OE1 GLU A 74 2.878 -17.523 6.694 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.092 -18.637 5.250 1.00 0.79 O ATOM 0 H GLU A 74 5.037 -14.384 7.123 1.00 0.28 H new ATOM 0 HA GLU A 74 5.339 -13.821 4.493 1.00 0.30 H new ATOM 0 HB2 GLU A 74 2.890 -15.130 5.744 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.474 -15.379 4.110 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.406 -16.571 4.871 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.161 -16.065 6.531 1.00 0.45 H new ATOM 1141 N GLU A 75 2.708 -12.245 5.670 1.00 0.28 N ATOM 1142 CA GLU A 75 1.722 -11.203 5.395 1.00 0.30 C ATOM 1143 C GLU A 75 2.316 -10.024 4.611 1.00 0.34 C ATOM 1144 O GLU A 75 1.579 -9.268 3.978 1.00 0.60 O ATOM 1145 CB GLU A 75 1.113 -10.706 6.710 1.00 0.37 C ATOM 1146 CG GLU A 75 -0.197 -11.391 7.086 1.00 0.49 C ATOM 1147 CD GLU A 75 -0.125 -12.911 7.085 1.00 0.53 C ATOM 1148 OE1 GLU A 75 0.956 -13.477 7.353 1.00 1.21 O ATOM 1149 OE2 GLU A 75 -1.164 -13.554 6.827 1.00 1.26 O ATOM 0 H GLU A 75 2.726 -12.553 6.642 1.00 0.28 H new ATOM 0 HA GLU A 75 0.947 -11.645 4.769 1.00 0.30 H new ATOM 0 HB2 GLU A 75 1.834 -10.859 7.513 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.941 -9.632 6.636 1.00 0.37 H new ATOM 0 HG2 GLU A 75 -0.500 -11.053 8.077 1.00 0.49 H new ATOM 0 HG3 GLU A 75 -0.973 -11.074 6.390 1.00 0.49 H new ATOM 1156 N CYS A 76 3.641 -9.865 4.658 1.00 0.25 N ATOM 1157 CA CYS A 76 4.311 -8.781 3.940 1.00 0.28 C ATOM 1158 C CYS A 76 4.280 -9.006 2.417 1.00 0.28 C ATOM 1159 O CYS A 76 4.565 -8.088 1.646 1.00 0.36 O ATOM 1160 CB CYS A 76 5.759 -8.642 4.421 1.00 0.31 C ATOM 1161 SG CYS A 76 6.489 -7.010 4.137 1.00 0.49 S ATOM 0 H CYS A 76 4.269 -10.472 5.185 1.00 0.25 H new ATOM 0 HA CYS A 76 3.770 -7.859 4.153 1.00 0.28 H new ATOM 0 HB2 CYS A 76 5.797 -8.863 5.488 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.369 -9.392 3.918 1.00 0.31 H new ATOM 0 HG CYS A 76 5.682 -6.091 4.578 1.00 0.49 H new ATOM 1167 N LEU A 77 3.948 -10.224 1.981 1.00 0.27 N ATOM 1168 CA LEU A 77 3.884 -10.527 0.553 1.00 0.31 C ATOM 1169 C LEU A 77 2.607 -9.960 -0.066 1.00 0.25 C ATOM 1170 O LEU A 77 1.496 -10.410 0.244 1.00 0.31 O ATOM 1171 CB LEU A 77 3.957 -12.041 0.310 1.00 0.41 C ATOM 1172 CG LEU A 77 5.365 -12.651 0.337 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.288 -11.922 -0.628 1.00 0.76 C ATOM 1174 CD2 LEU A 77 5.939 -12.627 1.746 1.00 0.58 C ATOM 0 H LEU A 77 3.722 -11.009 2.592 1.00 0.27 H new ATOM 0 HA LEU A 77 4.743 -10.056 0.075 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.349 -12.541 1.064 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.505 -12.257 -0.658 1.00 0.41 H new ATOM 0 HG LEU A 77 5.288 -13.690 0.018 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.280 -12.371 -0.592 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.891 -12.000 -1.640 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.355 -10.872 -0.344 1.00 0.76 H new ATOM 0 HD21 LEU A 77 6.937 -13.065 1.740 1.00 0.58 H new ATOM 0 HD22 LEU A 77 5.996 -11.597 2.098 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.295 -13.202 2.411 1.00 0.58 H new ATOM 1186 N PHE A 78 2.770 -8.980 -0.949 1.00 0.21 N ATOM 1187 CA PHE A 78 1.639 -8.341 -1.612 1.00 0.21 C ATOM 1188 C PHE A 78 1.729 -8.501 -3.128 1.00 0.19 C ATOM 1189 O PHE A 78 2.785 -8.843 -3.669 1.00 0.23 O ATOM 1190 CB PHE A 78 1.579 -6.850 -1.250 1.00 0.26 C ATOM 1191 CG PHE A 78 1.387 -6.589 0.218 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.147 -6.770 0.810 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.444 -6.160 1.004 1.00 0.32 C ATOM 1194 CE1 PHE A 78 -0.033 -6.532 2.158 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.270 -5.922 2.353 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.030 -6.106 2.930 1.00 0.45 C ATOM 0 H PHE A 78 3.680 -8.609 -1.223 1.00 0.21 H new ATOM 0 HA PHE A 78 0.729 -8.831 -1.266 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.501 -6.369 -1.577 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.763 -6.384 -1.802 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.688 -7.101 0.210 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.415 -6.010 0.556 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -1.004 -6.679 2.608 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.103 -5.592 2.956 1.00 0.38 H new ATOM 0 HZ PHE A 78 0.891 -5.917 3.984 1.00 0.45 H new ATOM 1206 N LEU A 79 0.607 -8.266 -3.800 1.00 0.21 N ATOM 1207 CA LEU A 79 0.531 -8.358 -5.252 1.00 0.21 C ATOM 1208 C LEU A 79 0.267 -6.973 -5.843 1.00 0.20 C ATOM 1209 O LEU A 79 -0.733 -6.331 -5.500 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.590 -9.327 -5.654 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.378 -10.098 -6.962 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.188 -9.143 -8.134 1.00 0.34 C ATOM 1213 CD2 LEU A 79 0.802 -11.053 -6.838 1.00 0.35 C ATOM 0 H LEU A 79 -0.273 -8.007 -3.354 1.00 0.21 H new ATOM 0 HA LEU A 79 1.478 -8.734 -5.640 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.725 -10.049 -4.848 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.519 -8.762 -5.735 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.273 -10.689 -7.157 1.00 0.30 H new ATOM 0 HD11 LEU A 79 -0.040 -9.716 -9.050 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.072 -8.515 -8.238 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.684 -8.515 -7.954 1.00 0.34 H new ATOM 0 HD21 LEU A 79 0.935 -11.590 -7.777 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.706 -10.487 -6.612 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.610 -11.766 -6.036 1.00 0.35 H new ATOM 1225 N GLU A 80 1.167 -6.516 -6.712 1.00 0.21 N ATOM 1226 CA GLU A 80 1.035 -5.204 -7.348 1.00 0.22 C ATOM 1227 C GLU A 80 0.491 -5.358 -8.768 1.00 0.22 C ATOM 1228 O GLU A 80 1.066 -6.080 -9.589 1.00 0.35 O ATOM 1229 CB GLU A 80 2.389 -4.476 -7.378 1.00 0.28 C ATOM 1230 CG GLU A 80 2.322 -3.068 -7.959 1.00 0.33 C ATOM 1231 CD GLU A 80 3.622 -2.296 -7.799 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.535 -2.473 -8.631 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.731 -1.491 -6.851 1.00 0.45 O ATOM 0 H GLU A 80 1.998 -7.036 -6.993 1.00 0.21 H new ATOM 0 HA GLU A 80 0.335 -4.608 -6.763 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.783 -4.421 -6.363 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.095 -5.066 -7.963 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.071 -3.130 -9.018 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.517 -2.518 -7.472 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.625 -4.695 -9.048 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.243 -4.759 -10.367 1.00 0.23 C ATOM 1242 C ARG A 81 -1.293 -3.378 -11.015 1.00 0.20 C ATOM 1243 O ARG A 81 -2.212 -2.596 -10.761 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.654 -5.343 -10.266 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.284 -5.631 -11.618 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.672 -6.234 -11.478 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.086 -6.929 -12.698 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.333 -7.334 -12.957 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -7.318 -7.083 -12.099 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.597 -7.994 -14.080 1.00 1.02 N ATOM 0 H ARG A 81 -1.121 -4.106 -8.379 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.634 -5.410 -10.994 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.617 -6.265 -9.686 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.289 -4.647 -9.718 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.345 -4.708 -12.194 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.646 -6.314 -12.178 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.683 -6.931 -10.640 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.389 -5.447 -11.247 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.371 -7.118 -13.401 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -7.125 -6.577 -11.235 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -8.266 -7.396 -12.306 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.848 -8.191 -14.744 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.549 -8.303 -14.278 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.300 -3.077 -11.838 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.240 -1.795 -12.530 1.00 0.24 C ATOM 1266 C LEU A 82 -1.089 -1.850 -13.799 1.00 0.27 C ATOM 1267 O LEU A 82 -0.845 -2.682 -14.674 1.00 0.40 O ATOM 1268 CB LEU A 82 1.212 -1.443 -12.878 1.00 0.32 C ATOM 1269 CG LEU A 82 1.411 -0.086 -13.560 1.00 0.36 C ATOM 1270 CD1 LEU A 82 1.037 1.055 -12.620 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.847 0.059 -14.046 1.00 0.54 C ATOM 0 H LEU A 82 0.478 -3.704 -12.044 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.635 -1.021 -11.872 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.802 -1.461 -11.962 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.611 -2.221 -13.529 1.00 0.32 H new ATOM 0 HG LEU A 82 0.750 -0.037 -14.425 1.00 0.36 H new ATOM 0 HD11 LEU A 82 1.187 2.008 -13.127 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.009 0.959 -12.330 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.666 1.015 -11.730 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.972 1.029 -14.528 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.527 -0.015 -13.198 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.071 -0.733 -14.761 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.088 -0.976 -13.898 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.957 -0.958 -15.075 1.00 0.36 C ATOM 1285 C GLU A 83 -2.556 0.140 -16.067 1.00 0.44 C ATOM 1286 O GLU A 83 -3.260 0.373 -17.053 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.425 -0.786 -14.671 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.393 -1.108 -15.799 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.847 -0.993 -15.395 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.313 -1.822 -14.588 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -7.536 -0.082 -15.892 1.00 1.24 O ATOM 0 H GLU A 83 -2.315 -0.279 -13.189 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.836 -1.921 -15.572 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.640 -1.432 -13.820 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.588 0.240 -14.342 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -5.202 -0.435 -16.635 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.201 -2.121 -16.154 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.445 0.831 -15.802 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.957 1.891 -16.691 1.00 0.38 C ATOM 1300 C GLU A 84 -1.832 3.148 -16.616 1.00 0.31 C ATOM 1301 O GLU A 84 -1.307 4.257 -16.534 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.862 1.375 -18.139 1.00 0.50 C ATOM 1303 CG GLU A 84 -1.112 2.433 -19.208 1.00 0.90 C ATOM 1304 CD GLU A 84 -1.123 1.852 -20.607 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -2.122 1.201 -20.979 1.00 1.14 O ATOM 1306 OE2 GLU A 84 -0.131 2.038 -21.342 1.00 1.23 O ATOM 0 H GLU A 84 -0.865 0.676 -14.978 1.00 0.37 H new ATOM 0 HA GLU A 84 0.040 2.173 -16.353 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.129 0.948 -18.294 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -1.582 0.567 -18.271 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -2.066 2.923 -19.014 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -0.341 3.200 -19.143 1.00 0.90 H new ATOM 1313 N ASN A 85 -3.155 2.970 -16.649 1.00 0.34 N ATOM 1314 CA ASN A 85 -4.104 4.088 -16.591 1.00 0.37 C ATOM 1315 C ASN A 85 -3.964 4.897 -15.293 1.00 0.29 C ATOM 1316 O ASN A 85 -4.869 4.918 -14.458 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.542 3.566 -16.738 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.582 4.676 -16.691 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -6.322 5.803 -17.110 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.768 4.366 -16.181 1.00 0.79 N ATOM 0 H ASN A 85 -3.598 2.054 -16.716 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.873 4.758 -17.419 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.634 3.029 -17.682 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.746 2.849 -15.942 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.501 5.074 -16.127 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.947 3.420 -15.843 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.816 5.552 -15.136 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.520 6.391 -13.969 1.00 0.33 C ATOM 1329 C HIS A 86 -2.996 5.765 -12.652 1.00 0.30 C ATOM 1330 O HIS A 86 -3.453 6.475 -11.753 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.135 7.789 -14.144 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.632 7.799 -14.210 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.332 7.849 -15.396 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.566 7.762 -13.230 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.625 7.843 -15.143 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.795 7.790 -13.837 1.00 0.71 N ATOM 0 H HIS A 86 -2.058 5.518 -15.817 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.435 6.475 -13.909 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.815 8.420 -13.315 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.740 8.236 -15.056 1.00 0.45 H new ATOM 0 HD2 HIS A 86 -5.378 7.719 -12.167 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.413 7.876 -15.881 1.00 0.78 H new ATOM 0 HE2 HIS A 86 -7.694 7.773 -13.356 1.00 0.71 H new ATOM 1345 N TYR A 87 -2.877 4.443 -12.527 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.295 3.762 -11.307 1.00 0.34 C ATOM 1347 C TYR A 87 -2.900 2.285 -11.324 1.00 0.24 C ATOM 1348 O TYR A 87 -2.546 1.730 -12.370 1.00 0.23 O ATOM 1349 CB TYR A 87 -4.814 3.914 -11.095 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.627 2.676 -11.418 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.073 2.428 -12.707 1.00 0.83 C ATOM 1352 CD2 TYR A 87 -5.944 1.755 -10.427 1.00 0.51 C ATOM 1353 CE1 TYR A 87 -6.811 1.302 -13.001 1.00 1.03 C ATOM 1354 CE2 TYR A 87 -6.682 0.625 -10.715 1.00 0.75 C ATOM 1355 CZ TYR A 87 -7.112 0.403 -12.002 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.849 -0.721 -12.294 1.00 1.27 O ATOM 0 H TYR A 87 -2.498 3.830 -13.249 1.00 0.26 H new ATOM 0 HA TYR A 87 -2.777 4.233 -10.472 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -4.996 4.191 -10.056 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.172 4.738 -11.712 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.838 3.129 -13.494 1.00 0.83 H new ATOM 0 HD2 TYR A 87 -5.607 1.926 -9.415 1.00 0.51 H new ATOM 0 HE1 TYR A 87 -7.152 1.125 -14.010 1.00 1.03 H new ATOM 0 HE2 TYR A 87 -6.921 -0.081 -9.934 1.00 0.75 H new ATOM 0 HH TYR A 87 -7.390 -1.243 -12.985 1.00 1.27 H new ATOM 1366 N ASN A 88 -2.955 1.665 -10.152 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.626 0.254 -9.994 1.00 0.20 C ATOM 1368 C ASN A 88 -3.500 -0.360 -8.900 1.00 0.20 C ATOM 1369 O ASN A 88 -4.198 0.362 -8.182 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.144 0.092 -9.636 1.00 0.21 C ATOM 1371 CG ASN A 88 -0.903 0.059 -8.137 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.130 1.182 -7.470 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.540 -0.971 -7.580 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.229 2.126 -9.284 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.815 -0.262 -10.935 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.766 -0.828 -10.081 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.577 0.914 -10.073 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.375 -1.816 -8.127 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.403 -0.983 -6.569 1.00 0.24 H new ATOM 1380 N THR A 89 -3.463 -1.678 -8.782 1.00 0.23 N ATOM 1381 CA THR A 89 -4.237 -2.388 -7.773 1.00 0.26 C ATOM 1382 C THR A 89 -3.319 -3.209 -6.867 1.00 0.21 C ATOM 1383 O THR A 89 -2.383 -3.854 -7.342 1.00 0.25 O ATOM 1384 CB THR A 89 -5.285 -3.322 -8.419 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.323 -3.129 -9.845 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.664 -3.061 -7.828 1.00 0.72 C ATOM 0 H THR A 89 -2.899 -2.284 -9.379 1.00 0.23 H new ATOM 0 HA THR A 89 -4.758 -1.638 -7.178 1.00 0.26 H new ATOM 0 HB THR A 89 -4.998 -4.352 -8.210 1.00 0.34 H new ATOM 0 HG1 THR A 89 -6.093 -3.606 -10.219 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.391 -3.727 -8.293 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.640 -3.244 -6.754 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.949 -2.025 -8.014 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.586 -3.169 -5.565 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.794 -3.911 -4.589 1.00 0.21 C ATOM 1396 C TYR A 90 -3.665 -4.935 -3.869 1.00 0.23 C ATOM 1397 O TYR A 90 -4.732 -4.593 -3.350 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.176 -2.965 -3.556 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.968 -2.197 -4.046 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.229 -2.844 -4.324 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.024 -0.821 -4.213 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.338 -2.138 -4.749 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.079 -0.110 -4.642 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.257 -0.769 -4.909 1.00 0.31 C ATOM 1405 OH TYR A 90 2.357 -0.055 -5.330 1.00 0.36 O ATOM 0 H TYR A 90 -4.349 -2.627 -5.160 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.996 -4.422 -5.127 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.936 -2.253 -3.234 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.890 -3.544 -2.678 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.294 -3.916 -4.206 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -1.945 -0.297 -4.004 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.264 -2.655 -4.955 1.00 0.29 H new ATOM 0 HE2 TYR A 90 0.017 0.961 -4.768 1.00 0.31 H new ATOM 0 HH TYR A 90 2.671 -0.413 -6.186 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.209 -6.181 -3.840 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.945 -7.249 -3.171 1.00 0.26 C ATOM 1417 C ILE A 91 -2.999 -8.141 -2.366 1.00 0.27 C ATOM 1418 O ILE A 91 -1.795 -8.190 -2.638 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.739 -8.118 -4.174 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.813 -8.666 -5.267 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.885 -7.319 -4.781 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.499 -9.612 -6.229 1.00 0.31 C ATOM 0 H ILE A 91 -2.334 -6.478 -4.271 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.653 -6.768 -2.496 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.163 -8.966 -3.636 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.395 -7.831 -5.829 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.977 -9.184 -4.796 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.433 -7.946 -5.484 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.557 -6.988 -3.989 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.486 -6.450 -5.304 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.781 -9.958 -6.973 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.893 -10.467 -5.680 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.317 -9.093 -6.728 1.00 0.31 H new ATOM 1434 N SER A 92 -3.551 -8.834 -1.376 1.00 0.33 N ATOM 1435 CA SER A 92 -2.772 -9.725 -0.524 1.00 0.37 C ATOM 1436 C SER A 92 -2.290 -10.947 -1.309 1.00 0.31 C ATOM 1437 O SER A 92 -3.086 -11.642 -1.939 1.00 0.44 O ATOM 1438 CB SER A 92 -3.627 -10.169 0.667 1.00 0.50 C ATOM 1439 OG SER A 92 -4.320 -9.066 1.229 1.00 0.82 O ATOM 0 H SER A 92 -4.543 -8.795 -1.143 1.00 0.33 H new ATOM 0 HA SER A 92 -1.895 -9.187 -0.163 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.341 -10.927 0.345 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.993 -10.630 1.424 1.00 0.50 H new ATOM 0 HG SER A 92 -3.904 -8.818 2.081 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.984 -11.199 -1.267 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.400 -12.334 -1.974 1.00 0.31 C ATOM 1447 C LYS A 93 -0.597 -13.627 -1.180 1.00 0.29 C ATOM 1448 O LYS A 93 -1.072 -14.627 -1.719 1.00 0.35 O ATOM 1449 CB LYS A 93 1.092 -12.084 -2.234 1.00 0.42 C ATOM 1450 CG LYS A 93 1.806 -13.218 -2.951 1.00 0.55 C ATOM 1451 CD LYS A 93 2.139 -14.362 -2.003 1.00 0.74 C ATOM 1452 CE LYS A 93 3.298 -15.198 -2.518 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.021 -15.794 -3.855 1.00 0.80 N ATOM 0 H LYS A 93 -0.311 -10.632 -0.751 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.909 -12.444 -2.932 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.197 -11.174 -2.825 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.589 -11.904 -1.281 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.179 -13.588 -3.762 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.723 -12.842 -3.404 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.388 -13.960 -1.021 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.262 -14.996 -1.875 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.191 -14.577 -2.579 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.512 -15.995 -1.806 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 3.053 -16.831 -3.786 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.078 -15.497 -4.179 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 3.738 -15.470 -4.535 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.226 -13.602 0.101 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.362 -14.778 0.959 1.00 0.31 C ATOM 1469 C LYS A 94 -1.814 -15.252 1.022 1.00 0.31 C ATOM 1470 O LYS A 94 -2.100 -16.434 0.824 1.00 0.56 O ATOM 1471 CB LYS A 94 0.157 -14.482 2.372 1.00 0.36 C ATOM 1472 CG LYS A 94 -0.124 -15.600 3.367 1.00 0.55 C ATOM 1473 CD LYS A 94 0.611 -15.384 4.680 1.00 0.55 C ATOM 1474 CE LYS A 94 0.022 -16.225 5.799 1.00 0.63 C ATOM 1475 NZ LYS A 94 0.771 -16.066 7.074 1.00 0.69 N ATOM 0 H LYS A 94 0.169 -12.784 0.565 1.00 0.28 H new ATOM 0 HA LYS A 94 0.240 -15.576 0.523 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.232 -14.308 2.327 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -0.300 -13.561 2.733 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -1.196 -15.658 3.556 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.176 -16.555 2.935 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.664 -15.634 4.553 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.564 -14.330 4.954 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -1.019 -15.943 5.954 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.028 -17.274 5.504 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.131 -16.235 7.876 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 1.553 -16.751 7.105 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.154 -15.101 7.134 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.732 -14.328 1.286 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.150 -14.669 1.381 1.00 0.28 C ATOM 1491 C HIS A 95 -4.787 -14.683 -0.005 1.00 0.27 C ATOM 1492 O HIS A 95 -5.746 -13.960 -0.264 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.893 -13.682 2.297 1.00 0.36 C ATOM 1494 CG HIS A 95 -4.464 -13.741 3.731 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -5.331 -13.992 4.774 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -3.247 -13.565 4.296 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -4.667 -13.963 5.914 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -3.401 -13.706 5.649 1.00 0.50 N ATOM 0 H HIS A 95 -2.523 -13.341 1.438 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.230 -15.665 1.816 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.739 -12.670 1.924 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.963 -13.884 2.240 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.325 -13.353 3.776 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -5.088 -14.122 6.896 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -2.656 -13.625 6.341 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.254 -15.524 -0.886 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.759 -15.631 -2.256 1.00 0.35 C ATOM 1509 C ALA A 96 -6.265 -15.883 -2.279 1.00 0.34 C ATOM 1510 O ALA A 96 -6.981 -15.335 -3.118 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.029 -16.736 -3.005 1.00 0.44 C ATOM 0 H ALA A 96 -3.471 -16.144 -0.678 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.571 -14.680 -2.754 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.416 -16.803 -4.022 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -2.963 -16.511 -3.036 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.185 -17.686 -2.494 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.740 -16.714 -1.359 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.162 -17.035 -1.277 1.00 0.38 C ATOM 1519 C GLU A 97 -8.967 -15.848 -0.756 1.00 0.37 C ATOM 1520 O GLU A 97 -10.131 -15.672 -1.125 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.381 -18.258 -0.383 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.688 -19.515 -0.886 1.00 0.57 C ATOM 1523 CD GLU A 97 -8.085 -19.872 -2.306 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -7.468 -19.344 -3.254 1.00 0.93 O ATOM 1525 OE2 GLU A 97 -9.025 -20.674 -2.478 1.00 0.97 O ATOM 0 H GLU A 97 -6.162 -17.179 -0.659 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.513 -17.265 -2.283 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -8.021 -18.032 0.621 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.451 -18.451 -0.302 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.608 -19.373 -0.839 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.929 -20.348 -0.225 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.340 -15.028 0.086 1.00 0.33 N ATOM 1533 CA LYS A 98 -8.994 -13.855 0.660 1.00 0.38 C ATOM 1534 C LYS A 98 -8.300 -12.573 0.191 1.00 0.37 C ATOM 1535 O LYS A 98 -7.934 -11.713 0.997 1.00 0.47 O ATOM 1536 CB LYS A 98 -8.989 -13.941 2.193 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.767 -15.131 2.737 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.807 -15.128 4.259 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.517 -13.894 4.791 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.969 -14.066 6.197 1.00 0.89 N ATOM 0 H LYS A 98 -7.374 -15.156 0.387 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.029 -13.830 0.318 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -7.958 -14.001 2.542 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.412 -13.023 2.602 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.784 -15.110 2.346 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.309 -16.056 2.387 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -10.316 -16.024 4.613 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.791 -15.163 4.652 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -9.847 -13.037 4.729 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.377 -13.672 4.160 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.447 -13.200 6.516 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -11.630 -14.867 6.254 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.147 -14.252 6.806 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.113 -12.460 -1.118 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.470 -11.291 -1.708 1.00 0.48 C ATOM 1556 C ASN A 99 -8.439 -10.110 -1.744 1.00 0.44 C ATOM 1557 O ASN A 99 -9.426 -10.124 -2.482 1.00 0.78 O ATOM 1558 CB ASN A 99 -6.961 -11.614 -3.121 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.079 -11.960 -4.094 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -8.609 -13.073 -4.081 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -8.441 -11.018 -4.951 1.00 1.07 N ATOM 0 H ASN A 99 -8.399 -13.167 -1.795 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.616 -11.017 -1.089 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.405 -10.758 -3.505 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.263 -12.449 -3.067 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -9.180 -11.202 -5.629 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -7.980 -10.108 -4.933 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.166 -9.099 -0.930 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.015 -7.919 -0.871 1.00 0.32 C ATOM 1570 C TRP A 100 -8.223 -6.654 -1.189 1.00 0.32 C ATOM 1571 O TRP A 100 -7.082 -6.499 -0.752 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.665 -7.803 0.505 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.696 -8.857 0.757 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.545 -9.989 1.501 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.039 -8.877 0.262 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.710 -10.715 1.496 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.644 -10.053 0.742 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.787 -8.014 -0.541 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -13.962 -10.385 0.445 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.094 -8.344 -0.836 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.671 -9.521 -0.344 1.00 1.08 C ATOM 0 H TRP A 100 -7.363 -9.073 -0.302 1.00 0.33 H new ATOM 0 HA TRP A 100 -9.796 -8.027 -1.624 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.893 -7.868 1.272 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.127 -6.821 0.600 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.641 -10.273 2.019 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -11.857 -11.603 1.976 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.350 -7.104 -0.925 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.409 -11.292 0.824 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.681 -7.684 -1.457 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.696 -9.751 -0.592 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.842 -5.756 -1.948 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.206 -4.500 -2.342 1.00 0.29 C ATOM 1594 C PHE A 101 -7.932 -3.611 -1.130 1.00 0.29 C ATOM 1595 O PHE A 101 -8.802 -3.432 -0.264 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.084 -3.748 -3.348 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.475 -4.574 -4.543 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.601 -4.741 -5.605 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.715 -5.189 -4.599 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.958 -5.502 -6.701 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -11.078 -5.952 -5.693 1.00 0.64 C ATOM 1602 CZ PHE A 101 -10.199 -6.109 -6.744 1.00 0.64 C ATOM 0 H PHE A 101 -9.790 -5.874 -2.306 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.252 -4.746 -2.810 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.987 -3.404 -2.843 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.552 -2.860 -3.689 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.629 -4.271 -5.576 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.407 -5.071 -3.778 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -8.268 -5.623 -7.523 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -12.049 -6.425 -5.725 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.480 -6.705 -7.599 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.727 -3.050 -1.079 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.316 -2.173 0.018 1.00 0.35 C ATOM 1614 C VAL A 102 -6.972 -0.784 -0.103 1.00 0.55 C ATOM 1615 O VAL A 102 -8.044 -0.645 -0.701 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.772 -2.028 0.063 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.108 -3.385 0.255 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.245 -1.345 -1.196 1.00 0.82 C ATOM 0 H VAL A 102 -6.010 -3.188 -1.791 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.652 -2.633 0.947 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.521 -1.398 0.917 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.026 -3.260 0.284 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.447 -3.827 1.192 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.375 -4.041 -0.573 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.160 -1.257 -1.135 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.513 -1.938 -2.071 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.685 -0.351 -1.282 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.349 0.234 0.492 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.881 1.583 0.422 1.00 0.46 C ATOM 1630 C GLY A 103 -7.020 2.221 1.788 1.00 0.41 C ATOM 1631 O GLY A 103 -7.772 1.728 2.636 1.00 0.59 O ATOM 0 H GLY A 103 -5.482 0.145 1.022 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.227 2.197 -0.198 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.855 1.561 -0.067 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.293 3.308 2.012 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.349 4.009 3.286 1.00 0.34 C ATOM 1637 C LEU A 104 -7.153 5.297 3.146 1.00 0.34 C ATOM 1638 O LEU A 104 -7.565 5.666 2.041 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.938 4.322 3.801 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.234 5.509 3.132 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.600 6.411 4.181 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.184 5.022 2.141 1.00 0.66 C ATOM 0 H LEU A 104 -5.659 3.722 1.329 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.842 3.360 4.009 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -4.997 4.515 4.872 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.318 3.435 3.670 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.979 6.086 2.585 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -3.105 7.248 3.689 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.372 6.789 4.851 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.868 5.843 4.755 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.696 5.879 1.677 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.441 4.421 2.665 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.663 4.417 1.371 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.383 5.973 4.263 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.125 7.220 4.258 1.00 0.41 C ATOM 1656 C LYS A 105 -7.265 8.342 4.826 1.00 0.32 C ATOM 1657 O LYS A 105 -6.646 8.180 5.879 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.408 7.082 5.079 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.533 7.981 4.602 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.172 7.449 3.328 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.356 8.302 2.899 1.00 0.73 C ATOM 1662 NZ LYS A 105 -11.930 9.634 2.401 1.00 0.60 N ATOM 0 H LYS A 105 -7.064 5.675 5.185 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.392 7.460 3.229 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.743 6.045 5.043 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.189 7.311 6.122 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.290 8.063 5.382 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.147 8.985 4.425 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.430 7.427 2.530 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.501 6.422 3.486 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.912 7.784 2.118 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.035 8.430 3.742 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.763 10.248 2.296 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.268 10.062 3.079 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.461 9.526 1.479 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.228 9.477 4.129 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.444 10.635 4.576 1.00 0.46 C ATOM 1678 C LYS A 106 -6.636 10.898 6.072 1.00 0.51 C ATOM 1679 O LYS A 106 -5.734 11.404 6.740 1.00 0.67 O ATOM 1680 CB LYS A 106 -6.798 11.886 3.756 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.292 12.111 3.572 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.566 13.208 2.555 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.043 13.292 2.202 1.00 1.14 C ATOM 1684 NZ LYS A 106 -10.374 14.548 1.476 1.00 1.43 N ATOM 0 H LYS A 106 -7.730 9.622 3.253 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.392 10.402 4.411 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.368 12.760 4.245 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.330 11.807 2.775 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -8.764 11.184 3.246 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.742 12.378 4.528 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.232 14.166 2.954 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -7.986 13.020 1.651 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.318 12.435 1.587 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.637 13.233 3.114 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -11.400 14.596 1.315 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.074 15.366 2.044 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -9.879 14.561 0.561 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.810 10.543 6.590 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.118 10.715 8.007 1.00 0.70 C ATOM 1700 C ASN A 107 -7.123 9.954 8.893 1.00 0.65 C ATOM 1701 O ASN A 107 -6.898 10.338 10.039 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.551 10.248 8.298 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.755 9.844 9.750 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.604 8.673 10.101 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -10.086 10.802 10.604 1.00 1.38 N ATOM 0 H ASN A 107 -8.568 10.132 6.045 1.00 0.53 H new ATOM 0 HA ASN A 107 -8.032 11.776 8.242 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.247 11.048 8.047 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.791 9.403 7.653 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.225 10.581 11.590 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.202 11.761 10.275 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.535 8.879 8.364 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.578 8.103 9.135 1.00 0.55 C ATOM 1714 C GLY A 108 -5.909 6.624 9.151 1.00 0.52 C ATOM 1715 O GLY A 108 -5.019 5.780 9.057 1.00 1.00 O ATOM 0 H GLY A 108 -6.705 8.535 7.419 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.581 8.244 8.718 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.552 8.477 10.158 1.00 0.55 H new ATOM 1719 N SER A 109 -7.190 6.301 9.272 1.00 0.52 N ATOM 1720 CA SER A 109 -7.619 4.910 9.301 1.00 0.56 C ATOM 1721 C SER A 109 -7.773 4.352 7.885 1.00 0.51 C ATOM 1722 O SER A 109 -8.422 4.962 7.033 1.00 0.81 O ATOM 1723 CB SER A 109 -8.942 4.779 10.061 1.00 0.75 C ATOM 1724 OG SER A 109 -8.835 5.289 11.386 1.00 0.97 O ATOM 0 H SER A 109 -7.947 6.980 9.351 1.00 0.52 H new ATOM 0 HA SER A 109 -6.852 4.332 9.816 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.725 5.316 9.526 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.240 3.731 10.096 1.00 0.75 H new ATOM 0 HG SER A 109 -9.696 5.193 11.844 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.165 3.196 7.640 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.242 2.546 6.336 1.00 0.38 C ATOM 1732 C CYS A 110 -8.496 1.674 6.265 1.00 0.36 C ATOM 1733 O CYS A 110 -9.019 1.262 7.301 1.00 0.54 O ATOM 1734 CB CYS A 110 -5.995 1.691 6.087 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.446 2.464 6.616 1.00 0.61 S ATOM 0 H CYS A 110 -6.611 2.688 8.330 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.294 3.315 5.565 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.110 0.741 6.608 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -5.930 1.465 5.023 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.534 1.550 6.767 1.00 0.61 H new ATOM 1741 N LYS A 111 -8.974 1.380 5.056 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.174 0.563 4.905 1.00 0.44 C ATOM 1743 C LYS A 111 -9.966 -0.585 3.922 1.00 0.47 C ATOM 1744 O LYS A 111 -10.002 -0.400 2.699 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.373 1.420 4.478 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.896 2.338 5.574 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.185 1.576 6.862 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.611 2.508 7.989 1.00 0.94 C ATOM 1749 NZ LYS A 111 -12.449 1.884 9.331 1.00 1.27 N ATOM 0 H LYS A 111 -8.555 1.691 4.180 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.385 0.127 5.881 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.087 2.024 3.617 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.179 0.763 4.152 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -11.164 3.121 5.772 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.806 2.831 5.232 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -12.970 0.842 6.681 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.296 1.023 7.164 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -12.021 3.423 7.943 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.653 2.793 7.847 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -12.751 2.556 10.065 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -13.032 1.025 9.387 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -11.450 1.635 9.480 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.737 -1.769 4.478 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.550 -2.984 3.693 1.00 0.36 C ATOM 1765 C ARG A 112 -10.491 -4.062 4.219 1.00 0.37 C ATOM 1766 O ARG A 112 -11.298 -4.614 3.471 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.097 -3.474 3.775 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.658 -4.338 2.594 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.537 -5.570 2.411 1.00 0.55 C ATOM 1770 NE ARG A 112 -8.348 -6.564 3.476 1.00 0.81 N ATOM 1771 CZ ARG A 112 -9.318 -7.370 3.943 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -10.572 -7.239 3.511 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -9.033 -8.295 4.859 1.00 1.57 N ATOM 0 H ARG A 112 -9.676 -1.914 5.486 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.774 -2.769 2.648 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.437 -2.609 3.842 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.970 -4.045 4.695 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.682 -3.741 1.683 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.625 -4.652 2.742 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.583 -5.265 2.386 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.316 -6.029 1.447 1.00 0.55 H new ATOM 0 HE ARG A 112 -7.419 -6.649 3.889 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.802 -6.524 2.821 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -11.302 -7.854 3.870 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -8.079 -8.392 5.206 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -9.769 -8.906 5.213 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.379 -4.343 5.516 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.224 -5.339 6.145 1.00 0.43 C ATOM 1789 C GLY A 113 -12.696 -4.953 6.145 1.00 0.41 C ATOM 1790 O GLY A 113 -13.524 -5.703 5.629 1.00 0.46 O ATOM 0 H GLY A 113 -9.712 -3.894 6.144 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.103 -6.290 5.627 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.894 -5.492 7.172 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.051 -3.777 6.707 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.442 -3.313 6.774 1.00 0.50 C ATOM 1796 C PRO A 114 -15.227 -3.598 5.493 1.00 0.41 C ATOM 1797 O PRO A 114 -16.247 -4.297 5.520 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.286 -1.808 7.004 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.030 -1.691 7.797 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.124 -2.802 7.320 1.00 0.52 C ATOM 0 HA PRO A 114 -15.011 -3.823 7.552 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.214 -1.266 6.061 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.139 -1.397 7.544 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.564 -0.717 7.646 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.233 -1.786 8.864 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.392 -2.439 6.599 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.566 -3.245 8.145 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.735 -3.074 4.375 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.380 -3.259 3.083 1.00 0.39 C ATOM 1810 C ARG A 115 -14.573 -2.570 1.987 1.00 0.44 C ATOM 1811 O ARG A 115 -14.308 -1.370 2.061 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.802 -2.697 3.117 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.549 -2.835 1.801 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.760 -1.916 1.758 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.392 -0.511 1.974 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.252 0.448 2.341 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.539 0.175 2.511 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.815 1.691 2.537 1.00 1.47 N ATOM 0 H ARG A 115 -13.884 -2.513 4.340 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.428 -4.326 2.867 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.365 -3.207 3.899 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.759 -1.643 3.391 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -16.880 -2.599 0.973 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -17.868 -3.869 1.668 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.257 -2.016 0.793 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.476 -2.224 2.519 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.416 -0.248 1.835 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.883 -0.774 2.362 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.184 0.914 2.791 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.827 1.911 2.408 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.468 2.423 2.816 1.00 1.47 H new ATOM 1832 N THR A 116 -14.181 -3.334 0.980 1.00 0.36 N ATOM 1833 CA THR A 116 -13.409 -2.804 -0.130 1.00 0.38 C ATOM 1834 C THR A 116 -14.067 -3.204 -1.454 1.00 0.39 C ATOM 1835 O THR A 116 -14.245 -4.392 -1.736 1.00 0.51 O ATOM 1836 CB THR A 116 -11.933 -3.281 -0.058 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.043 -2.197 -0.370 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.659 -4.453 -0.992 1.00 0.58 C ATOM 0 H THR A 116 -14.387 -4.330 0.910 1.00 0.36 H new ATOM 0 HA THR A 116 -13.397 -1.716 -0.067 1.00 0.38 H new ATOM 0 HB THR A 116 -11.757 -3.621 0.962 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.202 -2.555 -0.723 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.614 -4.750 -0.906 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.299 -5.292 -0.720 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.868 -4.156 -2.020 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.462 -2.203 -2.235 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.122 -2.420 -3.524 1.00 0.39 C ATOM 1848 C HIS A 117 -15.660 -1.095 -4.049 1.00 0.36 C ATOM 1849 O HIS A 117 -15.355 -0.687 -5.168 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.279 -3.422 -3.391 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.993 -4.778 -3.964 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.778 -5.883 -3.711 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -15.005 -5.205 -4.784 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.285 -6.927 -4.351 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.209 -6.544 -5.011 1.00 0.89 N ATOM 0 H HIS A 117 -14.335 -1.220 -1.995 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.389 -2.829 -4.220 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.529 -3.532 -2.336 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.159 -3.010 -3.885 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -14.203 -4.603 -5.186 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -16.694 -7.927 -4.337 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -14.625 -7.144 -5.594 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.461 -0.426 -3.219 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.043 0.865 -3.576 1.00 0.41 C ATOM 1866 C TYR A 118 -16.072 1.988 -3.234 1.00 0.39 C ATOM 1867 O TYR A 118 -15.310 1.878 -2.268 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.365 1.093 -2.834 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.359 -0.035 -2.979 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.964 -0.300 -4.199 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -19.697 -0.830 -1.891 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -20.876 -1.326 -4.333 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -20.608 -1.859 -2.018 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.197 -2.103 -3.242 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.109 -3.127 -3.376 1.00 1.05 O ATOM 0 H TYR A 118 -16.721 -0.760 -2.291 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.238 0.863 -4.648 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.153 1.242 -1.775 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.820 2.013 -3.201 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.717 0.307 -5.058 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -19.240 -0.640 -0.931 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.337 -1.519 -5.290 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -20.859 -2.470 -1.164 1.00 0.87 H new ATOM 0 HH TYR A 118 -22.223 -3.579 -2.514 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.103 3.061 -4.016 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.225 4.186 -3.772 1.00 0.39 C ATOM 1887 C GLY A 119 -13.904 4.046 -4.496 1.00 0.37 C ATOM 1888 O GLY A 119 -13.195 3.049 -4.317 1.00 0.44 O ATOM 0 H GLY A 119 -16.724 3.170 -4.818 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.717 5.105 -4.091 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.043 4.277 -2.701 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.572 5.047 -5.305 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.329 5.053 -6.078 1.00 0.38 C ATOM 1894 C GLN A 120 -11.157 4.504 -5.263 1.00 0.37 C ATOM 1895 O GLN A 120 -10.329 3.762 -5.788 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.006 6.473 -6.557 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.008 7.024 -7.562 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.614 6.757 -9.004 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.889 7.693 -9.599 1.00 0.99 O flip ATOM 1900 NE2 GLN A 120 -12.969 5.728 -9.584 1.00 1.00 N flip ATOM 0 H GLN A 120 -14.152 5.874 -5.445 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.476 4.404 -6.941 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -11.968 7.138 -5.694 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.013 6.478 -7.007 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.986 6.582 -7.371 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.110 8.099 -7.413 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.527 5.031 -9.091 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.705 5.574 -10.557 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.104 4.854 -3.976 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.024 4.398 -3.097 1.00 0.61 C ATOM 1911 C LYS A 121 -9.822 2.885 -3.192 1.00 0.58 C ATOM 1912 O LYS A 121 -8.713 2.395 -3.001 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.305 4.794 -1.638 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.167 3.798 -0.862 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.338 2.655 -0.279 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.152 1.373 -0.157 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.306 0.193 0.178 1.00 1.70 N ATOM 0 H LYS A 121 -11.794 5.450 -3.520 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.109 4.887 -3.430 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.354 4.913 -1.118 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -10.798 5.766 -1.628 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -11.685 4.318 -0.056 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -11.933 3.390 -1.522 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.469 2.476 -0.913 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -9.962 2.942 0.703 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.913 1.501 0.612 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.675 1.187 -1.095 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.831 -0.681 -0.029 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.436 0.217 -0.391 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -10.060 0.218 1.188 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.896 2.152 -3.470 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.825 0.700 -3.567 1.00 0.65 C ATOM 1933 C ALA A 122 -10.015 0.244 -4.779 1.00 0.57 C ATOM 1934 O ALA A 122 -9.385 -0.814 -4.738 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.226 0.104 -3.606 1.00 0.77 C ATOM 0 H ALA A 122 -11.825 2.541 -3.632 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.308 0.338 -2.679 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -12.158 -0.981 -3.679 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.762 0.374 -2.696 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.763 0.492 -4.472 1.00 0.77 H new ATOM 1941 N ILE A 123 -10.018 1.038 -5.848 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.291 0.681 -7.059 1.00 0.48 C ATOM 1943 C ILE A 123 -8.696 1.920 -7.733 1.00 0.41 C ATOM 1944 O ILE A 123 -8.923 2.167 -8.922 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.199 -0.064 -8.071 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.045 -1.134 -7.372 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.360 -0.701 -9.169 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.370 -0.617 -6.852 1.00 0.79 C ATOM 0 H ILE A 123 -10.514 1.928 -5.898 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.483 0.015 -6.755 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.872 0.668 -8.517 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.232 -1.950 -8.070 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.475 -1.549 -6.541 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.013 -1.220 -9.871 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.802 0.073 -9.696 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.663 -1.413 -8.727 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.914 -1.430 -6.370 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.192 0.179 -6.129 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.960 -0.228 -7.682 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.939 2.704 -6.972 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.310 3.907 -7.512 1.00 0.29 C ATOM 1962 C LEU A 124 -6.073 4.295 -6.705 1.00 0.26 C ATOM 1963 O LEU A 124 -6.072 5.292 -5.979 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.313 5.068 -7.553 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.836 6.321 -8.299 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.319 5.962 -9.686 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -8.962 7.341 -8.399 1.00 0.58 C ATOM 0 H LEU A 124 -7.746 2.531 -5.985 1.00 0.31 H new ATOM 0 HA LEU A 124 -6.990 3.688 -8.531 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.233 4.715 -8.020 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.562 5.348 -6.529 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.015 6.762 -7.733 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -6.986 6.866 -10.196 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.483 5.269 -9.594 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.117 5.494 -10.262 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.607 8.224 -8.931 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.801 6.904 -8.940 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.285 7.626 -7.398 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.026 3.484 -6.824 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.770 3.734 -6.127 1.00 0.23 C ATOM 1981 C PHE A 125 -2.705 4.161 -7.131 1.00 0.17 C ATOM 1982 O PHE A 125 -2.459 3.453 -8.115 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.300 2.480 -5.379 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.392 1.757 -4.644 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.980 2.316 -3.524 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.830 0.517 -5.078 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.984 1.653 -2.848 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.834 -0.152 -4.409 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.413 0.417 -3.292 1.00 0.54 C ATOM 0 H PHE A 125 -5.024 2.643 -7.401 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.931 4.529 -5.399 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.842 1.795 -6.093 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.525 2.764 -4.667 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.650 3.283 -3.174 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.380 0.068 -5.951 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.434 2.100 -1.973 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.166 -1.118 -4.758 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.200 -0.103 -2.766 1.00 0.54 H new ATOM 1999 N LEU A 126 -2.080 5.308 -6.886 1.00 0.18 N ATOM 2000 CA LEU A 126 -1.047 5.831 -7.771 1.00 0.19 C ATOM 2001 C LEU A 126 0.322 5.803 -7.090 1.00 0.20 C ATOM 2002 O LEU A 126 0.651 6.680 -6.290 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.386 7.262 -8.208 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.357 7.921 -9.135 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.161 7.087 -10.393 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.790 9.336 -9.490 1.00 0.59 C ATOM 0 H LEU A 126 -2.273 5.896 -6.076 1.00 0.18 H new ATOM 0 HA LEU A 126 -1.007 5.192 -8.653 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.352 7.252 -8.712 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.498 7.880 -7.317 1.00 0.32 H new ATOM 0 HG LEU A 126 0.596 7.976 -8.610 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.572 7.570 -11.039 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.195 6.094 -10.119 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.109 6.999 -10.923 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.049 9.789 -10.148 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.755 9.305 -9.997 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.877 9.929 -8.580 1.00 0.59 H new ATOM 2018 N PRO A 127 1.130 4.775 -7.380 1.00 0.21 N ATOM 2019 CA PRO A 127 2.459 4.633 -6.824 1.00 0.29 C ATOM 2020 C PRO A 127 3.526 5.129 -7.797 1.00 0.25 C ATOM 2021 O PRO A 127 3.205 5.680 -8.853 1.00 0.38 O ATOM 2022 CB PRO A 127 2.549 3.120 -6.643 1.00 0.42 C ATOM 2023 CG PRO A 127 1.750 2.550 -7.778 1.00 0.43 C ATOM 2024 CD PRO A 127 0.815 3.642 -8.260 1.00 0.32 C ATOM 0 HA PRO A 127 2.621 5.207 -5.912 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.584 2.778 -6.677 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.143 2.812 -5.679 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.406 2.222 -8.584 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.186 1.677 -7.451 1.00 0.43 H new ATOM 0 HD2 PRO A 127 0.990 3.887 -9.308 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.230 3.344 -8.172 1.00 0.32 H new ATOM 2032 N LEU A 128 4.787 4.939 -7.443 1.00 0.22 N ATOM 2033 CA LEU A 128 5.880 5.348 -8.313 1.00 0.21 C ATOM 2034 C LEU A 128 6.203 4.214 -9.280 1.00 0.23 C ATOM 2035 O LEU A 128 6.159 3.044 -8.899 1.00 0.26 O ATOM 2036 CB LEU A 128 7.123 5.720 -7.497 1.00 0.23 C ATOM 2037 CG LEU A 128 8.130 6.617 -8.221 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.502 7.962 -8.556 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.376 6.813 -7.375 1.00 0.37 C ATOM 0 H LEU A 128 5.079 4.507 -6.566 1.00 0.22 H new ATOM 0 HA LEU A 128 5.573 6.231 -8.873 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.803 6.223 -6.584 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.628 4.803 -7.195 1.00 0.23 H new ATOM 0 HG LEU A 128 8.417 6.127 -9.151 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.232 8.587 -9.070 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.637 7.809 -9.201 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.186 8.455 -7.637 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.080 7.453 -7.907 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.104 7.280 -6.429 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.840 5.846 -7.181 1.00 0.37 H new ATOM 2051 N PRO A 129 6.523 4.538 -10.544 1.00 0.27 N ATOM 2052 CA PRO A 129 6.847 3.531 -11.562 1.00 0.33 C ATOM 2053 C PRO A 129 7.881 2.506 -11.085 1.00 0.33 C ATOM 2054 O PRO A 129 7.908 1.376 -11.569 1.00 0.67 O ATOM 2055 CB PRO A 129 7.413 4.363 -12.714 1.00 0.45 C ATOM 2056 CG PRO A 129 6.760 5.692 -12.568 1.00 0.47 C ATOM 2057 CD PRO A 129 6.588 5.909 -11.089 1.00 0.30 C ATOM 0 HA PRO A 129 5.973 2.936 -11.829 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.498 4.444 -12.649 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.184 3.912 -13.680 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.373 6.478 -13.009 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.798 5.712 -13.080 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.422 6.470 -10.666 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.681 6.472 -10.869 1.00 0.30 H new ATOM 2065 N VAL A 130 8.729 2.900 -10.139 1.00 0.37 N ATOM 2066 CA VAL A 130 9.760 2.006 -9.618 1.00 0.35 C ATOM 2067 C VAL A 130 9.165 0.690 -9.105 1.00 0.38 C ATOM 2068 O VAL A 130 8.399 0.667 -8.133 1.00 0.57 O ATOM 2069 CB VAL A 130 10.589 2.676 -8.498 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.358 3.872 -9.046 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.700 3.097 -7.337 1.00 0.44 C ATOM 0 H VAL A 130 8.723 3.829 -9.718 1.00 0.37 H new ATOM 0 HA VAL A 130 10.424 1.784 -10.454 1.00 0.35 H new ATOM 0 HB VAL A 130 11.306 1.945 -8.124 1.00 0.40 H new ATOM 0 HG11 VAL A 130 11.936 4.331 -8.244 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.033 3.540 -9.835 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.656 4.601 -9.451 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.309 3.565 -6.564 1.00 0.44 H new ATOM 0 HG22 VAL A 130 8.953 3.807 -7.690 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.201 2.220 -6.924 1.00 0.44 H new ATOM 2081 N SER A 131 9.512 -0.395 -9.789 1.00 0.34 N ATOM 2082 CA SER A 131 9.058 -1.733 -9.434 1.00 0.40 C ATOM 2083 C SER A 131 9.970 -2.781 -10.081 1.00 0.39 C ATOM 2084 O SER A 131 10.745 -2.461 -10.987 1.00 0.47 O ATOM 2085 CB SER A 131 7.607 -1.946 -9.887 1.00 0.50 C ATOM 2086 OG SER A 131 6.693 -1.250 -9.052 1.00 0.88 O ATOM 0 H SER A 131 10.119 -0.370 -10.609 1.00 0.34 H new ATOM 0 HA SER A 131 9.102 -1.841 -8.350 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.493 -1.606 -10.916 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.374 -3.011 -9.875 1.00 0.50 H new ATOM 0 HG SER A 131 5.782 -1.563 -9.232 1.00 0.88 H new ATOM 2092 N SER A 132 9.889 -4.021 -9.606 1.00 0.48 N ATOM 2093 CA SER A 132 10.702 -5.101 -10.153 1.00 0.54 C ATOM 2094 C SER A 132 10.047 -5.701 -11.394 1.00 0.49 C ATOM 2095 O SER A 132 9.012 -6.366 -11.304 1.00 0.96 O ATOM 2096 CB SER A 132 10.924 -6.192 -9.100 1.00 0.76 C ATOM 2097 OG SER A 132 11.927 -5.810 -8.168 1.00 1.03 O ATOM 0 H SER A 132 9.270 -4.302 -8.845 1.00 0.48 H new ATOM 0 HA SER A 132 11.667 -4.683 -10.439 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.990 -6.388 -8.573 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.214 -7.121 -9.591 1.00 0.76 H new ATOM 0 HG SER A 132 12.752 -6.304 -8.355 1.00 1.03 H new ATOM 2103 N ASP A 133 10.646 -5.447 -12.550 1.00 0.56 N ATOM 2104 CA ASP A 133 10.128 -5.975 -13.808 1.00 0.58 C ATOM 2105 C ASP A 133 10.093 -7.497 -13.772 1.00 0.63 C ATOM 2106 O ASP A 133 11.079 -8.104 -13.304 1.00 0.80 O ATOM 2107 CB ASP A 133 10.978 -5.510 -14.991 1.00 0.80 C ATOM 2108 CG ASP A 133 10.660 -6.281 -16.259 1.00 0.92 C ATOM 2109 OD1 ASP A 133 9.609 -6.016 -16.877 1.00 1.06 O ATOM 2110 OD2 ASP A 133 11.459 -7.157 -16.644 1.00 1.07 O ATOM 2111 OXT ASP A 133 9.087 -8.081 -14.218 1.00 0.75 O ATOM 0 H ASP A 133 11.489 -4.880 -12.644 1.00 0.56 H new ATOM 0 HA ASP A 133 9.115 -5.594 -13.936 1.00 0.58 H new ATOM 0 HB2 ASP A 133 10.810 -4.447 -15.162 1.00 0.80 H new ATOM 0 HB3 ASP A 133 12.034 -5.631 -14.748 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.340 4.262 3.935 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.325 3.926 2.440 1.00 3.47 C HETATM 2119 C3 IHP A 134 -16.959 5.083 1.631 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.134 6.355 1.861 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.123 6.719 3.353 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.537 5.560 4.171 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.742 3.199 4.699 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.572 2.436 5.866 1.00 4.66 P HETATM 2125 O21 IHP A 134 -17.855 1.854 5.405 1.00 4.95 O HETATM 2126 O31 IHP A 134 -16.812 3.527 7.020 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.596 1.319 6.488 1.00 5.52 O HETATM 2128 O12 IHP A 134 -15.013 3.704 1.970 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.591 2.288 1.327 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.726 1.549 2.279 1.00 4.60 O HETATM 2131 O32 IHP A 134 -15.951 1.484 1.023 1.00 4.76 O HETATM 2132 O42 IHP A 134 -13.843 2.631 -0.039 1.00 4.45 O HETATM 2133 O13 IHP A 134 -16.944 4.767 0.236 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.311 4.720 -0.615 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.064 5.975 -0.389 1.00 5.53 O HETATM 2136 O33 IHP A 134 -19.112 3.429 -0.089 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.940 4.534 -2.168 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.708 7.449 1.134 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.846 8.231 0.016 1.00 5.38 P HETATM 2140 O24 IHP A 134 -16.026 7.577 -1.305 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.326 8.139 0.533 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.306 9.770 0.001 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.330 7.884 3.562 1.00 4.36 O HETATM 2144 P5 IHP A 134 -15.950 9.220 4.211 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.076 9.701 3.382 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.435 8.835 5.699 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.773 10.306 4.294 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.541 5.920 5.556 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.178 6.035 6.400 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.433 6.417 7.816 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.338 7.162 5.620 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.403 4.639 6.298 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.512 5.372 3.851 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.147 6.911 3.674 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.116 6.168 1.518 1.00 3.79 H new HETATM 0 H3 IHP A 134 -17.989 5.232 1.956 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.902 3.011 2.305 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.374 4.391 4.254 1.00 3.43 H new