USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS : no HE2:sc= 1.26 K(o=1.3,f=-3.5!) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 106 CYS SG : rot 143:sc= 1.26 USER MOD Set 2.2: A 110 SER OG : rot 80:sc= 0.839 USER MOD Set 3.1: A 92 GLN : amide:sc= -1.3! C(o=-1.5!,f=-4!) USER MOD Set 3.2: A 93 GLN : amide:sc= -0.194 X(o=-1.5,f=-1.8) USER MOD Set 4.1: A 52 SER OG : rot 87:sc= 0.633 USER MOD Set 4.2: A 53 HIS : no HD1:sc= 0.742 K(o=2.1,f=-1.3) USER MOD Set 4.3: A 59 TYR OH : rot -156:sc= 0.724 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= -0.0181 (180deg=-0.192) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc=-0.00814 USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= -0.456 (180deg=-3.9!) USER MOD Single : A 63 ASN : amide:sc= -1.43 K(o=-1.4,f=-9.1!) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.24) USER MOD Single : A 74 CYS SG : rot 64:sc= -0.987 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.11) USER MOD Single : A 76 MET CE :methyl -133:sc= -0.678 (180deg=-2.53!) USER MOD Single : A 77 GLN : amide:sc= -2.56! C(o=-2.6!,f=-3.5!) USER MOD Single : A 78 THR OG1 : rot -30:sc= 1.08 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.634 K(o=-0.63,f=-5.3!) USER MOD Single : A 96 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-9.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -53:sc= 0.704 USER MOD Single : A 107 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.1) USER MOD Single : A 114 SER OG : rot 100:sc= 1.24 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -22:sc= -3.78! USER MOD Single : A 128 ASN : amide:sc= 0.838 K(o=0.84,f=-0.75) USER MOD Single : A 131 CYS SG : rot 91:sc= -0.0412 USER MOD Single : A 132 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -1.75 X(o=-1.8,f=-2.1) USER MOD Single : A 138 SER OG : rot -48:sc= 0.937 USER MOD Single : A 140 LYS NZ :NH3+ -143:sc= -0.0392 (180deg=-1.58!) USER MOD Single : A 141 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0471) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= 0.696 K(o=0.7,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -7.007 -20.795 0.023 1.00 11.48 N ATOM 2 CA GLY A 51 -7.923 -19.943 0.816 1.00 11.08 C ATOM 3 C GLY A 51 -7.180 -18.843 1.541 1.00 10.43 C ATOM 4 O GLY A 51 -6.000 -18.996 1.869 1.00 10.45 O ATOM 0 HA2 GLY A 51 -8.672 -19.503 0.157 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -8.457 -20.559 1.539 1.00 11.08 H new ATOM 10 N SER A 52 -7.867 -17.733 1.783 1.00 10.08 N ATOM 11 CA SER A 52 -7.282 -16.585 2.461 1.00 9.69 C ATOM 12 C SER A 52 -8.376 -15.585 2.813 1.00 9.02 C ATOM 13 O SER A 52 -9.508 -15.730 2.343 1.00 8.98 O ATOM 14 CB SER A 52 -6.227 -15.918 1.569 1.00 10.27 C ATOM 15 OG SER A 52 -6.780 -15.525 0.323 1.00 10.53 O ATOM 0 H SER A 52 -8.843 -17.604 1.515 1.00 10.08 H new ATOM 0 HA SER A 52 -6.797 -16.925 3.376 1.00 9.69 H new ATOM 0 HB2 SER A 52 -5.816 -15.046 2.078 1.00 10.27 H new ATOM 0 HB3 SER A 52 -5.400 -16.608 1.401 1.00 10.27 H new ATOM 0 HG SER A 52 -7.171 -14.630 0.406 1.00 10.53 H new ATOM 21 N HIS A 53 -8.025 -14.587 3.632 1.00 8.73 N ATOM 22 CA HIS A 53 -8.932 -13.492 4.024 1.00 8.32 C ATOM 23 C HIS A 53 -10.342 -13.990 4.367 1.00 7.73 C ATOM 24 O HIS A 53 -10.508 -15.075 4.927 1.00 7.87 O ATOM 25 CB HIS A 53 -8.971 -12.383 2.941 1.00 8.73 C ATOM 26 CG HIS A 53 -9.343 -12.826 1.551 1.00 9.23 C ATOM 27 ND1 HIS A 53 -8.386 -13.061 0.594 1.00 9.69 N ATOM 28 CD2 HIS A 53 -10.569 -13.021 1.003 1.00 9.62 C ATOM 29 CE1 HIS A 53 -9.043 -13.389 -0.504 1.00 10.29 C ATOM 30 NE2 HIS A 53 -10.369 -13.378 -0.306 1.00 10.28 N ATOM 0 H HIS A 53 -7.096 -14.512 4.047 1.00 8.73 H new ATOM 0 HA HIS A 53 -8.526 -13.058 4.938 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -9.680 -11.619 3.258 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -7.990 -11.910 2.899 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -11.521 -12.915 1.502 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -8.571 -13.635 -1.444 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -11.089 -13.593 -0.995 1.00 10.28 H new ATOM 38 N MET A 54 -11.344 -13.166 4.082 1.00 7.35 N ATOM 39 CA MET A 54 -12.742 -13.543 4.287 1.00 7.08 C ATOM 40 C MET A 54 -13.248 -14.307 3.064 1.00 6.25 C ATOM 41 O MET A 54 -12.509 -15.089 2.466 1.00 6.50 O ATOM 42 CB MET A 54 -13.596 -12.292 4.523 1.00 7.61 C ATOM 43 CG MET A 54 -13.196 -11.501 5.755 1.00 8.34 C ATOM 44 SD MET A 54 -13.324 -12.464 7.275 1.00 8.78 S ATOM 45 CE MET A 54 -12.775 -11.256 8.479 1.00 9.55 C ATOM 0 H MET A 54 -11.215 -12.227 3.706 1.00 7.35 H new ATOM 0 HA MET A 54 -12.818 -14.184 5.165 1.00 7.08 H new ATOM 0 HB2 MET A 54 -13.526 -11.645 3.649 1.00 7.61 H new ATOM 0 HB3 MET A 54 -14.641 -12.589 4.617 1.00 7.61 H new ATOM 0 HG2 MET A 54 -12.171 -11.149 5.638 1.00 8.34 H new ATOM 0 HG3 MET A 54 -13.829 -10.617 5.835 1.00 8.34 H new ATOM 0 HE1 MET A 54 -12.797 -11.699 9.475 1.00 9.55 H new ATOM 0 HE2 MET A 54 -11.758 -10.943 8.243 1.00 9.55 H new ATOM 0 HE3 MET A 54 -13.436 -10.390 8.453 1.00 9.55 H new ATOM 55 N GLY A 55 -14.504 -14.094 2.692 1.00 5.61 N ATOM 56 CA GLY A 55 -15.019 -14.699 1.482 1.00 5.11 C ATOM 57 C GLY A 55 -14.557 -13.927 0.267 1.00 4.35 C ATOM 58 O GLY A 55 -13.802 -14.439 -0.561 1.00 4.69 O ATOM 0 H GLY A 55 -15.171 -13.516 3.204 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -14.682 -15.733 1.413 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -16.108 -14.721 1.514 1.00 5.11 H new ATOM 62 N LYS A 56 -15.010 -12.687 0.174 1.00 3.64 N ATOM 63 CA LYS A 56 -14.543 -11.758 -0.841 1.00 3.11 C ATOM 64 C LYS A 56 -14.853 -10.341 -0.398 1.00 2.55 C ATOM 65 O LYS A 56 -15.635 -10.145 0.532 1.00 2.86 O ATOM 66 CB LYS A 56 -15.196 -12.024 -2.206 1.00 3.33 C ATOM 67 CG LYS A 56 -16.646 -11.560 -2.316 1.00 3.32 C ATOM 68 CD LYS A 56 -17.608 -12.514 -1.621 1.00 4.10 C ATOM 69 CE LYS A 56 -17.561 -13.906 -2.237 1.00 4.54 C ATOM 70 NZ LYS A 56 -17.863 -13.890 -3.695 1.00 5.01 N ATOM 0 H LYS A 56 -15.713 -12.296 0.801 1.00 3.64 H new ATOM 0 HA LYS A 56 -13.468 -11.896 -0.957 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -14.609 -11.527 -2.978 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -15.153 -13.093 -2.413 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -16.742 -10.566 -1.878 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -16.919 -11.473 -3.368 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -17.358 -12.576 -0.562 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -18.622 -12.121 -1.687 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -16.573 -14.338 -2.078 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -18.277 -14.551 -1.727 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -18.003 -14.864 -4.031 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -18.728 -13.338 -3.864 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -17.069 -13.457 -4.209 1.00 5.01 H new ATOM 84 N LYS A 57 -14.284 -9.371 -1.107 1.00 2.28 N ATOM 85 CA LYS A 57 -14.444 -7.950 -0.785 1.00 1.87 C ATOM 86 C LYS A 57 -14.188 -7.602 0.687 1.00 1.72 C ATOM 87 O LYS A 57 -13.918 -8.473 1.511 1.00 2.48 O ATOM 88 CB LYS A 57 -15.815 -7.523 -1.196 1.00 1.84 C ATOM 89 CG LYS A 57 -15.984 -7.329 -2.697 1.00 2.16 C ATOM 90 CD LYS A 57 -15.422 -5.993 -3.156 1.00 2.61 C ATOM 91 CE LYS A 57 -16.224 -4.839 -2.576 1.00 3.28 C ATOM 92 NZ LYS A 57 -15.668 -3.515 -2.962 1.00 3.67 N ATOM 0 H LYS A 57 -13.697 -9.545 -1.923 1.00 2.28 H new ATOM 0 HA LYS A 57 -13.679 -7.406 -1.339 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -16.533 -8.268 -0.854 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -16.059 -6.589 -0.690 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -15.481 -8.137 -3.228 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -17.041 -7.387 -2.955 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -14.380 -5.907 -2.849 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -15.439 -5.942 -4.245 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -17.257 -4.910 -2.917 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -16.240 -4.921 -1.489 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -16.248 -2.760 -2.543 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -14.691 -3.434 -2.615 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -15.676 -3.424 -3.998 1.00 3.67 H new ATOM 106 N CYS A 58 -14.247 -6.301 0.982 1.00 1.35 N ATOM 107 CA CYS A 58 -13.947 -5.780 2.310 1.00 1.14 C ATOM 108 C CYS A 58 -12.621 -6.325 2.812 1.00 0.88 C ATOM 109 O CYS A 58 -12.557 -7.305 3.558 1.00 1.38 O ATOM 110 CB CYS A 58 -15.050 -6.118 3.291 1.00 1.36 C ATOM 111 SG CYS A 58 -14.751 -5.522 4.975 1.00 1.88 S ATOM 0 H CYS A 58 -14.504 -5.583 0.305 1.00 1.35 H new ATOM 0 HA CYS A 58 -13.876 -4.695 2.232 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -15.986 -5.694 2.928 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -15.179 -7.200 3.318 1.00 1.36 H new ATOM 0 HG CYS A 58 -15.749 -5.858 5.738 1.00 1.88 H new ATOM 117 N TYR A 59 -11.568 -5.659 2.419 1.00 0.42 N ATOM 118 CA TYR A 59 -10.239 -6.113 2.743 1.00 0.31 C ATOM 119 C TYR A 59 -9.577 -5.134 3.679 1.00 0.30 C ATOM 120 O TYR A 59 -8.374 -5.020 3.685 1.00 0.33 O ATOM 121 CB TYR A 59 -9.391 -6.330 1.493 1.00 0.67 C ATOM 122 CG TYR A 59 -9.865 -7.511 0.694 1.00 1.01 C ATOM 123 CD1 TYR A 59 -11.022 -7.412 -0.024 1.00 1.22 C ATOM 124 CD2 TYR A 59 -9.180 -8.716 0.676 1.00 1.26 C ATOM 125 CE1 TYR A 59 -11.515 -8.461 -0.754 1.00 1.56 C ATOM 126 CE2 TYR A 59 -9.657 -9.785 -0.055 1.00 1.58 C ATOM 127 CZ TYR A 59 -10.828 -9.654 -0.769 1.00 1.66 C ATOM 128 OH TYR A 59 -11.314 -10.718 -1.493 1.00 2.04 O ATOM 0 H TYR A 59 -11.603 -4.798 1.873 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.324 -7.079 3.240 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -9.423 -5.435 0.872 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -8.351 -6.480 1.781 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -11.565 -6.478 -0.016 1.00 1.22 H new ATOM 0 HD2 TYR A 59 -8.264 -8.819 1.239 1.00 1.26 H new ATOM 0 HE1 TYR A 59 -12.433 -8.353 -1.312 1.00 1.56 H new ATOM 0 HE2 TYR A 59 -9.115 -10.719 -0.067 1.00 1.58 H new ATOM 0 HH TYR A 59 -10.968 -11.555 -1.117 1.00 2.04 H new ATOM 138 N LYS A 60 -10.378 -4.418 4.463 1.00 0.29 N ATOM 139 CA LYS A 60 -9.842 -3.412 5.380 1.00 0.29 C ATOM 140 C LYS A 60 -8.800 -4.031 6.311 1.00 0.25 C ATOM 141 O LYS A 60 -7.654 -3.598 6.346 1.00 0.26 O ATOM 142 CB LYS A 60 -11.006 -2.799 6.184 1.00 0.37 C ATOM 143 CG LYS A 60 -10.615 -1.715 7.183 1.00 0.57 C ATOM 144 CD LYS A 60 -10.010 -2.292 8.448 1.00 0.43 C ATOM 145 CE LYS A 60 -9.794 -1.220 9.490 1.00 0.76 C ATOM 146 NZ LYS A 60 -8.943 -0.108 8.986 1.00 1.62 N ATOM 0 H LYS A 60 -11.393 -4.513 4.484 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.345 -2.626 4.811 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.727 -2.379 5.483 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.513 -3.599 6.723 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.901 -1.036 6.718 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.495 -1.125 7.440 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.666 -3.065 8.848 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.060 -2.771 8.214 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.759 -0.823 9.805 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.328 -1.661 10.371 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.171 0.071 9.660 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.543 -0.369 8.062 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.520 0.751 8.883 1.00 1.62 H new ATOM 160 N LEU A 61 -9.196 -5.063 7.036 1.00 0.25 N ATOM 161 CA LEU A 61 -8.277 -5.770 7.902 1.00 0.25 C ATOM 162 C LEU A 61 -7.076 -6.264 7.135 1.00 0.26 C ATOM 163 O LEU A 61 -5.935 -6.129 7.574 1.00 0.30 O ATOM 164 CB LEU A 61 -8.973 -6.949 8.539 1.00 0.30 C ATOM 165 CG LEU A 61 -9.061 -6.873 10.055 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.324 -8.246 10.639 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.799 -6.241 10.644 1.00 0.63 C ATOM 0 H LEU A 61 -10.149 -5.428 7.040 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.941 -5.074 8.671 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.981 -7.026 8.131 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.446 -7.862 8.262 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.900 -6.231 10.323 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.384 -8.174 11.725 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.265 -8.633 10.248 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.512 -8.920 10.364 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.886 -6.198 11.730 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.931 -6.842 10.373 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.679 -5.232 10.249 1.00 0.63 H new ATOM 179 N GLU A 62 -7.361 -6.844 5.993 1.00 0.25 N ATOM 180 CA GLU A 62 -6.348 -7.364 5.113 1.00 0.29 C ATOM 181 C GLU A 62 -5.383 -6.283 4.673 1.00 0.23 C ATOM 182 O GLU A 62 -4.182 -6.431 4.823 1.00 0.20 O ATOM 183 CB GLU A 62 -7.023 -8.002 3.920 1.00 0.39 C ATOM 184 CG GLU A 62 -6.905 -9.502 3.941 1.00 0.63 C ATOM 185 CD GLU A 62 -5.586 -10.017 3.407 1.00 1.48 C ATOM 186 OE1 GLU A 62 -5.446 -10.161 2.173 1.00 2.20 O ATOM 187 OE2 GLU A 62 -4.688 -10.301 4.228 1.00 1.98 O ATOM 0 H GLU A 62 -8.313 -6.968 5.648 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.761 -8.111 5.648 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.076 -7.721 3.906 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.578 -7.616 3.003 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -7.034 -9.853 4.965 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -7.717 -9.930 3.352 1.00 0.63 H new ATOM 194 N ASN A 63 -5.914 -5.185 4.175 1.00 0.22 N ATOM 195 CA ASN A 63 -5.118 -4.152 3.552 1.00 0.19 C ATOM 196 C ASN A 63 -4.297 -3.395 4.568 1.00 0.15 C ATOM 197 O ASN A 63 -3.127 -3.126 4.332 1.00 0.16 O ATOM 198 CB ASN A 63 -6.014 -3.200 2.775 1.00 0.21 C ATOM 199 CG ASN A 63 -6.602 -3.842 1.534 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.017 -4.748 0.952 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.764 -3.365 1.119 1.00 0.27 N ATOM 0 H ASN A 63 -6.914 -4.985 4.192 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.424 -4.632 2.862 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.822 -2.858 3.421 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.440 -2.319 2.488 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.206 -3.753 0.285 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.218 -2.610 1.633 1.00 0.27 H new ATOM 208 N GLU A 64 -4.908 -3.050 5.690 1.00 0.15 N ATOM 209 CA GLU A 64 -4.192 -2.519 6.812 1.00 0.16 C ATOM 210 C GLU A 64 -3.007 -3.401 7.156 1.00 0.14 C ATOM 211 O GLU A 64 -1.866 -2.949 7.209 1.00 0.17 O ATOM 212 CB GLU A 64 -5.151 -2.462 7.962 1.00 0.21 C ATOM 213 CG GLU A 64 -5.964 -1.197 7.970 1.00 0.30 C ATOM 214 CD GLU A 64 -6.464 -0.716 6.622 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.649 -0.172 5.854 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.643 -0.949 6.302 1.00 1.75 O ATOM 0 H GLU A 64 -5.914 -3.135 5.837 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.803 -1.527 6.583 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.821 -3.321 7.915 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.597 -2.540 8.897 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.825 -1.347 8.622 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.362 -0.405 8.415 1.00 0.30 H new ATOM 223 N LYS A 65 -3.307 -4.675 7.354 1.00 0.13 N ATOM 224 CA LYS A 65 -2.335 -5.673 7.692 1.00 0.14 C ATOM 225 C LYS A 65 -1.263 -5.783 6.629 1.00 0.12 C ATOM 226 O LYS A 65 -0.080 -5.649 6.915 1.00 0.14 O ATOM 227 CB LYS A 65 -3.072 -6.987 7.802 1.00 0.20 C ATOM 228 CG LYS A 65 -2.385 -7.992 8.668 1.00 0.44 C ATOM 229 CD LYS A 65 -1.531 -8.949 7.853 1.00 0.86 C ATOM 230 CE LYS A 65 -2.368 -9.725 6.838 1.00 1.32 C ATOM 231 NZ LYS A 65 -1.563 -10.739 6.106 1.00 1.93 N ATOM 0 H LYS A 65 -4.257 -5.040 7.280 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.841 -5.407 8.626 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -4.070 -6.801 8.199 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.198 -7.407 6.804 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.759 -7.477 9.397 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.129 -8.557 9.230 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.753 -8.390 7.333 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -1.028 -9.648 8.521 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -3.193 -10.219 7.351 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -2.809 -9.029 6.124 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -2.167 -11.230 5.416 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -0.781 -10.268 5.608 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -1.177 -11.429 6.781 1.00 1.93 H new ATOM 245 N LEU A 66 -1.702 -6.052 5.411 1.00 0.11 N ATOM 246 CA LEU A 66 -0.811 -6.179 4.264 1.00 0.10 C ATOM 247 C LEU A 66 0.063 -4.945 4.141 1.00 0.08 C ATOM 248 O LEU A 66 1.263 -5.044 3.895 1.00 0.08 O ATOM 249 CB LEU A 66 -1.623 -6.374 2.985 1.00 0.10 C ATOM 250 CG LEU A 66 -2.410 -7.680 2.903 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.416 -7.626 1.766 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.458 -8.846 2.718 1.00 0.17 C ATOM 0 H LEU A 66 -2.687 -6.189 5.186 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.172 -7.050 4.412 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.321 -5.542 2.887 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.945 -6.324 2.133 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.959 -7.819 3.835 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.967 -8.565 1.723 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.112 -6.804 1.935 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.892 -7.470 0.823 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.026 -9.774 2.660 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.891 -8.710 1.797 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.772 -8.893 3.563 1.00 0.17 H new ATOM 264 N PHE A 67 -0.546 -3.784 4.330 1.00 0.07 N ATOM 265 CA PHE A 67 0.187 -2.538 4.344 1.00 0.06 C ATOM 266 C PHE A 67 1.302 -2.596 5.371 1.00 0.06 C ATOM 267 O PHE A 67 2.441 -2.275 5.065 1.00 0.07 O ATOM 268 CB PHE A 67 -0.733 -1.359 4.651 1.00 0.08 C ATOM 269 CG PHE A 67 -0.005 -0.058 4.626 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.695 0.303 3.498 1.00 0.08 C ATOM 271 CD2 PHE A 67 0.006 0.784 5.723 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.402 1.490 3.449 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.702 1.974 5.684 1.00 0.12 C ATOM 274 CZ PHE A 67 1.402 2.326 4.545 1.00 0.09 C ATOM 0 H PHE A 67 -1.551 -3.684 4.476 1.00 0.07 H new ATOM 0 HA PHE A 67 0.615 -2.392 3.352 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.544 -1.334 3.924 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.188 -1.501 5.631 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.692 -0.350 2.638 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.534 0.508 6.616 1.00 0.12 H new ATOM 0 HE1 PHE A 67 1.950 1.760 2.559 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.700 2.630 6.542 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.949 3.257 4.514 1.00 0.09 H new ATOM 284 N GLU A 68 0.964 -3.017 6.586 1.00 0.08 N ATOM 285 CA GLU A 68 1.959 -3.172 7.643 1.00 0.09 C ATOM 286 C GLU A 68 3.014 -4.170 7.237 1.00 0.10 C ATOM 287 O GLU A 68 4.193 -3.954 7.466 1.00 0.12 O ATOM 288 CB GLU A 68 1.336 -3.676 8.937 1.00 0.14 C ATOM 289 CG GLU A 68 0.108 -2.932 9.368 1.00 0.21 C ATOM 290 CD GLU A 68 -0.338 -3.346 10.750 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.036 -4.375 10.872 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.036 -2.617 11.716 1.00 1.19 O ATOM 0 H GLU A 68 0.012 -3.256 6.863 1.00 0.08 H new ATOM 0 HA GLU A 68 2.394 -2.185 7.802 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.084 -4.730 8.817 1.00 0.14 H new ATOM 0 HB3 GLU A 68 2.080 -3.615 9.731 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.308 -1.861 9.356 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.697 -3.114 8.656 1.00 0.21 H new ATOM 299 N GLU A 69 2.580 -5.259 6.625 1.00 0.10 N ATOM 300 CA GLU A 69 3.496 -6.338 6.263 1.00 0.12 C ATOM 301 C GLU A 69 4.530 -5.806 5.293 1.00 0.11 C ATOM 302 O GLU A 69 5.703 -6.166 5.342 1.00 0.14 O ATOM 303 CB GLU A 69 2.764 -7.513 5.607 1.00 0.15 C ATOM 304 CG GLU A 69 1.585 -8.036 6.382 1.00 0.25 C ATOM 305 CD GLU A 69 1.441 -9.538 6.298 1.00 0.81 C ATOM 306 OE1 GLU A 69 0.830 -10.027 5.328 1.00 1.34 O ATOM 307 OE2 GLU A 69 1.914 -10.235 7.217 1.00 1.21 O ATOM 0 H GLU A 69 1.607 -5.423 6.368 1.00 0.10 H new ATOM 0 HA GLU A 69 3.966 -6.698 7.178 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.423 -7.204 4.619 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.473 -8.327 5.459 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.686 -7.744 7.427 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.675 -7.568 6.007 1.00 0.25 H new ATOM 314 N PHE A 70 4.065 -4.923 4.428 1.00 0.09 N ATOM 315 CA PHE A 70 4.890 -4.309 3.432 1.00 0.09 C ATOM 316 C PHE A 70 5.695 -3.177 4.070 1.00 0.08 C ATOM 317 O PHE A 70 6.874 -2.996 3.778 1.00 0.10 O ATOM 318 CB PHE A 70 3.993 -3.800 2.308 1.00 0.09 C ATOM 319 CG PHE A 70 4.722 -3.138 1.194 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.003 -1.798 1.275 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.110 -3.843 0.069 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.662 -1.155 0.257 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.776 -3.208 -0.959 1.00 0.13 C ATOM 324 CZ PHE A 70 6.052 -1.857 -0.865 1.00 0.13 C ATOM 0 H PHE A 70 3.092 -4.616 4.406 1.00 0.09 H new ATOM 0 HA PHE A 70 5.598 -5.025 3.014 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.423 -4.638 1.906 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.273 -3.096 2.725 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.702 -1.242 2.151 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.890 -4.898 -0.005 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.875 -0.099 0.334 1.00 0.14 H new ATOM 0 HE2 PHE A 70 6.080 -3.764 -1.833 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.571 -1.353 -1.667 1.00 0.13 H new ATOM 334 N LEU A 71 5.029 -2.412 4.935 1.00 0.07 N ATOM 335 CA LEU A 71 5.654 -1.333 5.678 1.00 0.08 C ATOM 336 C LEU A 71 6.816 -1.822 6.533 1.00 0.08 C ATOM 337 O LEU A 71 7.931 -1.319 6.420 1.00 0.09 O ATOM 338 CB LEU A 71 4.618 -0.626 6.546 1.00 0.09 C ATOM 339 CG LEU A 71 4.129 0.700 5.979 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.651 1.634 7.068 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.231 1.355 5.198 1.00 0.10 C ATOM 0 H LEU A 71 4.036 -2.529 5.137 1.00 0.07 H new ATOM 0 HA LEU A 71 6.061 -0.628 4.953 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.763 -1.288 6.683 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.046 -0.451 7.533 1.00 0.09 H new ATOM 0 HG LEU A 71 3.283 0.490 5.324 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.311 2.569 6.622 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.827 1.169 7.610 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.470 1.838 7.758 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.877 2.303 4.794 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.084 1.535 5.853 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.534 0.703 4.379 1.00 0.10 H new ATOM 353 N GLU A 72 6.537 -2.789 7.399 1.00 0.08 N ATOM 354 CA GLU A 72 7.573 -3.429 8.214 1.00 0.11 C ATOM 355 C GLU A 72 8.683 -3.939 7.326 1.00 0.09 C ATOM 356 O GLU A 72 9.862 -3.733 7.599 1.00 0.12 O ATOM 357 CB GLU A 72 7.002 -4.600 9.001 1.00 0.19 C ATOM 358 CG GLU A 72 5.868 -4.196 9.901 1.00 0.26 C ATOM 359 CD GLU A 72 6.310 -3.274 11.016 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.172 -3.679 11.823 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.803 -2.138 11.088 1.00 1.13 O ATOM 0 H GLU A 72 5.597 -3.152 7.558 1.00 0.08 H new ATOM 0 HA GLU A 72 7.959 -2.685 8.911 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.654 -5.364 8.306 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.793 -5.050 9.600 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.098 -3.701 9.309 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.415 -5.089 10.331 1.00 0.26 H new ATOM 368 N LEU A 73 8.275 -4.619 6.268 1.00 0.10 N ATOM 369 CA LEU A 73 9.198 -5.086 5.241 1.00 0.11 C ATOM 370 C LEU A 73 10.100 -3.952 4.792 1.00 0.10 C ATOM 371 O LEU A 73 11.317 -4.087 4.805 1.00 0.12 O ATOM 372 CB LEU A 73 8.412 -5.621 4.044 1.00 0.14 C ATOM 373 CG LEU A 73 9.252 -6.061 2.849 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.868 -7.423 3.090 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.416 -6.073 1.585 1.00 0.46 C ATOM 0 H LEU A 73 7.300 -4.863 6.095 1.00 0.10 H new ATOM 0 HA LEU A 73 9.813 -5.884 5.657 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.812 -6.468 4.375 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.718 -4.849 3.713 1.00 0.14 H new ATOM 0 HG LEU A 73 10.061 -5.341 2.723 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.461 -7.713 2.223 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.509 -7.382 3.971 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.078 -8.157 3.250 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.033 -6.389 0.744 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.584 -6.766 1.706 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.029 -5.072 1.395 1.00 0.46 H new ATOM 387 N CYS A 74 9.501 -2.824 4.433 1.00 0.09 N ATOM 388 CA CYS A 74 10.274 -1.671 3.996 1.00 0.10 C ATOM 389 C CYS A 74 11.220 -1.217 5.101 1.00 0.11 C ATOM 390 O CYS A 74 12.385 -0.979 4.848 1.00 0.14 O ATOM 391 CB CYS A 74 9.365 -0.521 3.564 1.00 0.10 C ATOM 392 SG CYS A 74 8.299 -0.927 2.169 1.00 0.11 S ATOM 0 H CYS A 74 8.491 -2.684 4.436 1.00 0.09 H new ATOM 0 HA CYS A 74 10.863 -1.972 3.130 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.745 -0.222 4.409 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.981 0.339 3.301 1.00 0.10 H new ATOM 0 HG CYS A 74 7.474 -1.870 2.514 1.00 0.11 H new ATOM 398 N LYS A 75 10.746 -1.175 6.342 1.00 0.11 N ATOM 399 CA LYS A 75 11.591 -0.776 7.464 1.00 0.12 C ATOM 400 C LYS A 75 12.809 -1.698 7.575 1.00 0.13 C ATOM 401 O LYS A 75 13.818 -1.349 8.189 1.00 0.16 O ATOM 402 CB LYS A 75 10.786 -0.818 8.761 1.00 0.13 C ATOM 403 CG LYS A 75 9.556 0.060 8.743 1.00 0.18 C ATOM 404 CD LYS A 75 8.718 -0.168 9.980 1.00 0.20 C ATOM 405 CE LYS A 75 7.416 0.604 9.918 1.00 0.30 C ATOM 406 NZ LYS A 75 6.593 0.402 11.140 1.00 0.32 N ATOM 0 H LYS A 75 9.787 -1.411 6.596 1.00 0.11 H new ATOM 0 HA LYS A 75 11.941 0.242 7.291 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.484 -1.847 8.957 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.428 -0.511 9.587 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.852 1.108 8.686 1.00 0.18 H new ATOM 0 HG3 LYS A 75 8.964 -0.153 7.853 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.507 -1.232 10.087 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.281 0.135 10.863 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.629 1.666 9.795 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.849 0.289 9.042 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.682 0.891 11.030 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.425 -0.615 11.281 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.096 0.788 11.965 1.00 0.32 H new ATOM 420 N MET A 76 12.698 -2.875 6.970 1.00 0.12 N ATOM 421 CA MET A 76 13.777 -3.847 6.948 1.00 0.13 C ATOM 422 C MET A 76 14.729 -3.607 5.772 1.00 0.14 C ATOM 423 O MET A 76 15.945 -3.712 5.922 1.00 0.16 O ATOM 424 CB MET A 76 13.186 -5.254 6.851 1.00 0.14 C ATOM 425 CG MET A 76 12.284 -5.624 8.008 1.00 0.15 C ATOM 426 SD MET A 76 11.693 -7.322 7.896 1.00 0.21 S ATOM 427 CE MET A 76 9.957 -7.071 8.234 1.00 0.40 C ATOM 0 H MET A 76 11.856 -3.179 6.482 1.00 0.12 H new ATOM 0 HA MET A 76 14.350 -3.741 7.869 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.621 -5.336 5.923 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.001 -5.976 6.794 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.825 -5.491 8.945 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.431 -4.945 8.033 1.00 0.15 H new ATOM 0 HE1 MET A 76 9.620 -7.802 8.969 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.804 -6.065 8.625 1.00 0.40 H new ATOM 0 HE3 MET A 76 9.386 -7.193 7.314 1.00 0.40 H new ATOM 437 N GLN A 77 14.184 -3.284 4.599 1.00 0.14 N ATOM 438 CA GLN A 77 14.991 -3.174 3.391 1.00 0.15 C ATOM 439 C GLN A 77 15.243 -1.723 2.959 1.00 0.16 C ATOM 440 O GLN A 77 16.031 -1.479 2.042 1.00 0.22 O ATOM 441 CB GLN A 77 14.342 -3.944 2.237 1.00 0.19 C ATOM 442 CG GLN A 77 12.937 -4.461 2.504 1.00 0.21 C ATOM 443 CD GLN A 77 12.820 -5.958 2.340 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.569 -6.461 1.247 1.00 0.83 O ATOM 445 NE2 GLN A 77 12.963 -6.674 3.437 1.00 0.25 N ATOM 0 H GLN A 77 13.191 -3.095 4.463 1.00 0.14 H new ATOM 0 HA GLN A 77 15.959 -3.611 3.636 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.311 -3.295 1.362 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.980 -4.791 1.984 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.641 -4.187 3.517 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.240 -3.971 1.825 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.171 -6.214 4.323 1.00 0.25 H new ATOM 0 HE22 GLN A 77 12.866 -7.689 3.400 1.00 0.25 H new ATOM 454 N THR A 78 14.581 -0.767 3.596 1.00 0.17 N ATOM 455 CA THR A 78 14.766 0.641 3.258 1.00 0.22 C ATOM 456 C THR A 78 15.333 1.403 4.443 1.00 0.30 C ATOM 457 O THR A 78 14.829 2.464 4.800 1.00 0.32 O ATOM 458 CB THR A 78 13.452 1.349 2.822 1.00 0.17 C ATOM 459 OG1 THR A 78 12.528 1.435 3.912 1.00 0.14 O ATOM 460 CG2 THR A 78 12.784 0.634 1.665 1.00 0.22 C ATOM 0 H THR A 78 13.913 -0.938 4.347 1.00 0.17 H new ATOM 0 HA THR A 78 15.456 0.650 2.414 1.00 0.22 H new ATOM 0 HB THR A 78 13.731 2.352 2.500 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.663 0.676 4.516 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.870 1.160 1.391 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.461 0.613 0.811 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.540 -0.387 1.960 1.00 0.22 H new ATOM 468 N ALA A 79 16.369 0.874 5.073 1.00 0.38 N ATOM 469 CA ALA A 79 17.001 1.569 6.185 1.00 0.50 C ATOM 470 C ALA A 79 17.592 2.894 5.726 1.00 0.52 C ATOM 471 O ALA A 79 17.669 3.857 6.487 1.00 0.55 O ATOM 472 CB ALA A 79 18.083 0.704 6.795 1.00 0.67 C ATOM 0 H ALA A 79 16.788 -0.026 4.837 1.00 0.38 H new ATOM 0 HA ALA A 79 16.240 1.772 6.939 1.00 0.50 H new ATOM 0 HB1 ALA A 79 18.548 1.235 7.626 1.00 0.67 H new ATOM 0 HB2 ALA A 79 17.644 -0.225 7.158 1.00 0.67 H new ATOM 0 HB3 ALA A 79 18.837 0.479 6.041 1.00 0.67 H new ATOM 478 N ASP A 80 18.011 2.925 4.469 1.00 0.53 N ATOM 479 CA ASP A 80 18.554 4.132 3.863 1.00 0.57 C ATOM 480 C ASP A 80 17.433 5.109 3.535 1.00 0.52 C ATOM 481 O ASP A 80 17.651 6.307 3.357 1.00 0.57 O ATOM 482 CB ASP A 80 19.326 3.768 2.598 1.00 0.65 C ATOM 483 CG ASP A 80 19.946 4.968 1.918 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.833 5.606 2.523 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.561 5.266 0.768 1.00 1.46 O ATOM 0 H ASP A 80 17.985 2.119 3.844 1.00 0.53 H new ATOM 0 HA ASP A 80 19.232 4.611 4.569 1.00 0.57 H new ATOM 0 HB2 ASP A 80 20.111 3.055 2.850 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.654 3.269 1.900 1.00 0.65 H new ATOM 490 N HIS A 81 16.223 4.580 3.488 1.00 0.43 N ATOM 491 CA HIS A 81 15.038 5.386 3.214 1.00 0.38 C ATOM 492 C HIS A 81 13.956 5.135 4.248 1.00 0.29 C ATOM 493 O HIS A 81 12.889 4.611 3.928 1.00 0.23 O ATOM 494 CB HIS A 81 14.479 5.111 1.812 1.00 0.41 C ATOM 495 CG HIS A 81 15.284 5.735 0.711 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.953 6.941 0.123 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.407 5.311 0.082 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.833 7.224 -0.818 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.723 6.253 -0.862 1.00 0.86 N ATOM 0 H HIS A 81 16.031 3.589 3.637 1.00 0.43 H new ATOM 0 HA HIS A 81 15.347 6.430 3.266 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.435 4.034 1.653 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.456 5.483 1.759 1.00 0.41 H new ATOM 0 HD1 HIS A 81 14.154 7.521 0.377 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.951 4.401 0.286 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.825 8.103 -1.446 1.00 1.08 H new ATOM 508 N PRO A 82 14.199 5.523 5.505 1.00 0.32 N ATOM 509 CA PRO A 82 13.209 5.387 6.565 1.00 0.29 C ATOM 510 C PRO A 82 12.072 6.382 6.379 1.00 0.26 C ATOM 511 O PRO A 82 11.112 6.398 7.137 1.00 0.29 O ATOM 512 CB PRO A 82 13.997 5.694 7.832 1.00 0.38 C ATOM 513 CG PRO A 82 15.130 6.548 7.392 1.00 0.44 C ATOM 514 CD PRO A 82 15.448 6.137 5.990 1.00 0.41 C ATOM 0 HA PRO A 82 12.742 4.402 6.584 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.377 6.210 8.565 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.354 4.779 8.304 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.861 7.603 7.436 1.00 0.44 H new ATOM 0 HG3 PRO A 82 15.994 6.412 8.042 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.735 6.993 5.379 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.278 5.431 5.960 1.00 0.41 H new ATOM 522 N GLU A 83 12.227 7.209 5.356 1.00 0.23 N ATOM 523 CA GLU A 83 11.224 8.179 4.926 1.00 0.21 C ATOM 524 C GLU A 83 10.142 7.511 4.090 1.00 0.17 C ATOM 525 O GLU A 83 9.026 8.015 3.964 1.00 0.18 O ATOM 526 CB GLU A 83 11.900 9.240 4.078 1.00 0.28 C ATOM 527 CG GLU A 83 13.005 8.645 3.242 1.00 0.46 C ATOM 528 CD GLU A 83 13.402 9.478 2.046 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.817 10.639 2.231 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.307 8.964 0.913 1.00 0.95 O ATOM 0 H GLU A 83 13.073 7.227 4.786 1.00 0.23 H new ATOM 0 HA GLU A 83 10.765 8.619 5.812 1.00 0.21 H new ATOM 0 HB2 GLU A 83 11.164 9.714 3.429 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.307 10.020 4.722 1.00 0.28 H new ATOM 0 HG2 GLU A 83 13.881 8.497 3.873 1.00 0.46 H new ATOM 0 HG3 GLU A 83 12.691 7.660 2.895 1.00 0.46 H new ATOM 537 N VAL A 84 10.507 6.389 3.501 1.00 0.15 N ATOM 538 CA VAL A 84 9.639 5.654 2.605 1.00 0.14 C ATOM 539 C VAL A 84 8.410 5.131 3.327 1.00 0.11 C ATOM 540 O VAL A 84 7.313 5.139 2.782 1.00 0.11 O ATOM 541 CB VAL A 84 10.446 4.522 1.942 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.639 3.266 1.764 1.00 0.16 C ATOM 543 CG2 VAL A 84 11.001 4.996 0.615 1.00 0.21 C ATOM 0 H VAL A 84 11.423 5.959 3.633 1.00 0.15 H new ATOM 0 HA VAL A 84 9.271 6.324 1.828 1.00 0.14 H new ATOM 0 HB VAL A 84 11.269 4.270 2.611 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.256 2.501 1.292 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.300 2.910 2.737 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.775 3.475 1.133 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.571 4.191 0.151 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.180 5.284 -0.041 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.653 5.854 0.779 1.00 0.21 H new ATOM 553 N VAL A 85 8.603 4.694 4.553 1.00 0.09 N ATOM 554 CA VAL A 85 7.512 4.233 5.378 1.00 0.09 C ATOM 555 C VAL A 85 6.515 5.350 5.682 1.00 0.10 C ATOM 556 O VAL A 85 5.331 5.179 5.455 1.00 0.10 O ATOM 557 CB VAL A 85 8.049 3.602 6.660 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.937 3.388 7.660 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.752 2.308 6.311 1.00 0.11 C ATOM 0 H VAL A 85 9.517 4.649 5.003 1.00 0.09 H new ATOM 0 HA VAL A 85 6.968 3.471 4.819 1.00 0.09 H new ATOM 0 HB VAL A 85 8.767 4.274 7.131 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.344 2.937 8.565 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.479 4.346 7.906 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.185 2.726 7.231 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.140 1.848 7.220 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.047 1.628 5.833 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.576 2.514 5.628 1.00 0.11 H new ATOM 569 N PRO A 86 6.968 6.488 6.222 1.00 0.12 N ATOM 570 CA PRO A 86 6.131 7.673 6.365 1.00 0.14 C ATOM 571 C PRO A 86 5.403 8.026 5.066 1.00 0.14 C ATOM 572 O PRO A 86 4.208 8.271 5.080 1.00 0.18 O ATOM 573 CB PRO A 86 7.097 8.791 6.740 1.00 0.18 C ATOM 574 CG PRO A 86 8.398 8.142 7.071 1.00 0.18 C ATOM 575 CD PRO A 86 8.289 6.670 6.800 1.00 0.14 C ATOM 0 HA PRO A 86 5.352 7.512 7.111 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.214 9.494 5.915 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.720 9.358 7.591 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.199 8.577 6.474 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.650 8.315 8.117 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.068 6.337 6.115 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.401 6.091 7.717 1.00 0.14 H new ATOM 583 N PHE A 87 6.135 8.029 3.948 1.00 0.13 N ATOM 584 CA PHE A 87 5.564 8.270 2.625 1.00 0.14 C ATOM 585 C PHE A 87 4.494 7.235 2.301 1.00 0.12 C ATOM 586 O PHE A 87 3.450 7.550 1.722 1.00 0.12 O ATOM 587 CB PHE A 87 6.684 8.193 1.580 1.00 0.18 C ATOM 588 CG PHE A 87 6.254 8.474 0.168 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.072 9.134 -0.090 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.045 8.080 -0.897 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.676 9.400 -1.385 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.657 8.341 -2.197 1.00 1.01 C ATOM 593 CZ PHE A 87 5.469 9.003 -2.442 1.00 0.69 C ATOM 0 H PHE A 87 7.141 7.864 3.938 1.00 0.13 H new ATOM 0 HA PHE A 87 5.102 9.257 2.612 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.466 8.902 1.854 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.128 7.198 1.618 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.447 9.447 0.733 1.00 0.35 H new ATOM 0 HD2 PHE A 87 7.975 7.563 -0.710 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.747 9.918 -1.571 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.281 8.028 -3.021 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.162 9.209 -3.457 1.00 0.69 H new ATOM 603 N LEU A 88 4.735 6.024 2.743 1.00 0.10 N ATOM 604 CA LEU A 88 3.841 4.928 2.481 1.00 0.09 C ATOM 605 C LEU A 88 2.625 5.098 3.344 1.00 0.08 C ATOM 606 O LEU A 88 1.483 5.073 2.882 1.00 0.09 O ATOM 607 CB LEU A 88 4.527 3.622 2.846 1.00 0.09 C ATOM 608 CG LEU A 88 5.041 2.806 1.681 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.896 1.673 2.188 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.885 2.268 0.868 1.00 0.10 C ATOM 0 H LEU A 88 5.556 5.773 3.294 1.00 0.10 H new ATOM 0 HA LEU A 88 3.563 4.911 1.427 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.364 3.845 3.508 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.826 3.010 3.414 1.00 0.09 H new ATOM 0 HG LEU A 88 5.646 3.446 1.039 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.263 1.089 1.344 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.741 2.076 2.746 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.302 1.033 2.841 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.269 1.683 0.033 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.261 1.635 1.498 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.291 3.098 0.486 1.00 0.10 H new ATOM 622 N TYR A 89 2.917 5.309 4.616 1.00 0.08 N ATOM 623 CA TYR A 89 1.936 5.451 5.643 1.00 0.09 C ATOM 624 C TYR A 89 1.003 6.586 5.310 1.00 0.09 C ATOM 625 O TYR A 89 -0.205 6.449 5.335 1.00 0.11 O ATOM 626 CB TYR A 89 2.651 5.773 6.948 1.00 0.10 C ATOM 627 CG TYR A 89 2.314 4.832 8.047 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.021 4.416 8.201 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.273 4.361 8.918 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.663 3.548 9.192 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.943 3.486 9.923 1.00 0.20 C ATOM 632 CZ TYR A 89 1.628 3.075 10.062 1.00 0.22 C ATOM 633 OH TYR A 89 1.281 2.199 11.068 1.00 0.27 O ATOM 0 H TYR A 89 3.875 5.386 4.958 1.00 0.08 H new ATOM 0 HA TYR A 89 1.363 4.528 5.732 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.728 5.754 6.779 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.394 6.787 7.255 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.265 4.783 7.523 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.298 4.685 8.808 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.365 3.234 9.296 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.702 3.121 10.599 1.00 0.20 H new ATOM 0 HH TYR A 89 2.078 1.965 11.587 1.00 0.27 H new ATOM 643 N ASN A 90 1.619 7.697 4.986 1.00 0.09 N ATOM 644 CA ASN A 90 0.949 8.919 4.604 1.00 0.09 C ATOM 645 C ASN A 90 -0.025 8.692 3.466 1.00 0.09 C ATOM 646 O ASN A 90 -1.215 8.957 3.610 1.00 0.10 O ATOM 647 CB ASN A 90 2.024 9.890 4.178 1.00 0.11 C ATOM 648 CG ASN A 90 1.493 11.161 3.599 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.568 11.775 4.125 1.00 0.43 O ATOM 650 ND2 ASN A 90 2.059 11.530 2.478 1.00 0.40 N ATOM 0 H ASN A 90 2.636 7.779 4.980 1.00 0.09 H new ATOM 0 HA ASN A 90 0.368 9.303 5.442 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.649 10.127 5.039 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.666 9.407 3.442 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.735 12.368 1.995 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.824 10.980 2.088 1.00 0.40 H new ATOM 657 N ARG A 91 0.485 8.206 2.339 1.00 0.08 N ATOM 658 CA ARG A 91 -0.348 7.925 1.176 1.00 0.10 C ATOM 659 C ARG A 91 -1.505 7.009 1.552 1.00 0.09 C ATOM 660 O ARG A 91 -2.630 7.195 1.103 1.00 0.11 O ATOM 661 CB ARG A 91 0.493 7.295 0.063 1.00 0.13 C ATOM 662 CG ARG A 91 1.316 8.309 -0.705 1.00 0.16 C ATOM 663 CD ARG A 91 0.408 9.288 -1.427 1.00 0.29 C ATOM 664 NE ARG A 91 1.121 10.474 -1.907 1.00 0.88 N ATOM 665 CZ ARG A 91 1.816 10.524 -3.048 1.00 1.05 C ATOM 666 NH1 ARG A 91 1.923 9.443 -3.813 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.388 11.660 -3.426 1.00 1.64 N ATOM 0 H ARG A 91 1.475 7.998 2.207 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.762 8.865 0.812 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.159 6.549 0.497 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.165 6.771 -0.630 1.00 0.13 H new ATOM 0 HG2 ARG A 91 1.972 8.848 -0.021 1.00 0.16 H new ATOM 0 HG3 ARG A 91 1.956 7.798 -1.424 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.062 8.785 -2.272 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.392 9.598 -0.755 1.00 0.29 H new ATOM 0 HE ARG A 91 1.085 11.317 -1.333 1.00 0.88 H new ATOM 0 HH11 ARG A 91 1.474 8.572 -3.530 1.00 1.35 H new ATOM 0 HH12 ARG A 91 2.454 9.484 -4.683 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.297 12.494 -2.846 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.918 11.699 -4.296 1.00 1.64 H new ATOM 681 N GLN A 92 -1.207 6.042 2.397 1.00 0.09 N ATOM 682 CA GLN A 92 -2.186 5.067 2.860 1.00 0.12 C ATOM 683 C GLN A 92 -3.203 5.736 3.779 1.00 0.11 C ATOM 684 O GLN A 92 -4.406 5.526 3.663 1.00 0.13 O ATOM 685 CB GLN A 92 -1.430 3.968 3.598 1.00 0.18 C ATOM 686 CG GLN A 92 -2.080 2.601 3.574 1.00 0.35 C ATOM 687 CD GLN A 92 -2.953 2.329 4.774 1.00 0.42 C ATOM 688 OE1 GLN A 92 -2.835 2.980 5.813 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.746 1.288 4.662 1.00 0.36 N ATOM 0 H GLN A 92 -0.274 5.906 2.787 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.734 4.644 2.018 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.433 3.884 3.166 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.303 4.273 4.637 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.681 2.509 2.669 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.303 1.839 3.520 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.805 0.785 3.777 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.303 0.983 5.460 1.00 0.36 H new ATOM 698 N GLN A 93 -2.691 6.561 4.675 1.00 0.12 N ATOM 699 CA GLN A 93 -3.507 7.286 5.636 1.00 0.14 C ATOM 700 C GLN A 93 -4.429 8.298 4.950 1.00 0.16 C ATOM 701 O GLN A 93 -5.552 8.526 5.394 1.00 0.20 O ATOM 702 CB GLN A 93 -2.608 7.996 6.654 1.00 0.15 C ATOM 703 CG GLN A 93 -1.993 7.070 7.694 1.00 0.15 C ATOM 704 CD GLN A 93 -3.003 6.150 8.346 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.658 6.510 9.322 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.104 4.938 7.833 1.00 0.22 N ATOM 0 H GLN A 93 -1.692 6.749 4.758 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.139 6.562 6.151 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.807 8.508 6.120 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.191 8.762 7.165 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.216 6.469 7.222 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.508 7.670 8.464 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.542 4.679 7.022 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.744 4.260 8.248 1.00 0.22 H new ATOM 715 N ARG A 94 -3.949 8.910 3.874 1.00 0.14 N ATOM 716 CA ARG A 94 -4.728 9.914 3.155 1.00 0.15 C ATOM 717 C ARG A 94 -5.540 9.296 2.022 1.00 0.14 C ATOM 718 O ARG A 94 -6.247 9.991 1.289 1.00 0.19 O ATOM 719 CB ARG A 94 -3.798 10.992 2.627 1.00 0.21 C ATOM 720 CG ARG A 94 -2.868 10.519 1.532 1.00 0.76 C ATOM 721 CD ARG A 94 -1.541 11.260 1.589 1.00 0.64 C ATOM 722 NE ARG A 94 -1.655 12.672 1.206 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.548 13.696 2.056 1.00 1.04 C ATOM 724 NH1 ARG A 94 -1.465 13.491 3.366 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.546 14.934 1.589 1.00 1.40 N ATOM 0 H ARG A 94 -3.026 8.730 3.480 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.440 10.359 3.850 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.397 11.821 2.249 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.202 11.380 3.453 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.695 9.448 1.634 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.335 10.676 0.560 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.138 11.195 2.600 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.827 10.767 0.929 1.00 0.64 H new ATOM 0 HE ARG A 94 -1.828 12.886 0.224 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -1.483 12.540 3.736 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -1.384 14.284 4.002 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -1.626 15.101 0.586 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.465 15.722 2.232 1.00 1.40 H new ATOM 739 N ALA A 95 -5.438 7.990 1.891 1.00 0.12 N ATOM 740 CA ALA A 95 -6.189 7.264 0.880 1.00 0.12 C ATOM 741 C ALA A 95 -7.640 7.082 1.304 1.00 0.13 C ATOM 742 O ALA A 95 -8.015 7.380 2.440 1.00 0.17 O ATOM 743 CB ALA A 95 -5.549 5.913 0.603 1.00 0.13 C ATOM 0 H ALA A 95 -4.840 7.404 2.474 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.171 7.853 -0.037 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.126 5.386 -0.156 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.529 6.060 0.247 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.532 5.324 1.520 1.00 0.13 H new ATOM 749 N HIS A 96 -8.460 6.632 0.366 1.00 0.12 N ATOM 750 CA HIS A 96 -9.862 6.363 0.624 1.00 0.13 C ATOM 751 C HIS A 96 -10.015 5.143 1.510 1.00 0.13 C ATOM 752 O HIS A 96 -9.560 4.062 1.157 1.00 0.12 O ATOM 753 CB HIS A 96 -10.589 6.119 -0.696 1.00 0.14 C ATOM 754 CG HIS A 96 -12.047 6.431 -0.631 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.830 5.944 0.378 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.802 7.208 -1.443 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.035 6.429 0.167 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.070 7.200 -0.925 1.00 0.25 N ATOM 0 H HIS A 96 -8.170 6.444 -0.594 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.293 7.226 1.131 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.128 6.727 -1.475 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.460 5.077 -0.987 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.469 7.732 -2.327 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.889 6.229 0.797 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.884 7.688 -1.300 1.00 0.25 H new ATOM 766 N SER A 97 -10.638 5.332 2.669 1.00 0.16 N ATOM 767 CA SER A 97 -10.918 4.236 3.586 1.00 0.20 C ATOM 768 C SER A 97 -11.685 3.110 2.896 1.00 0.18 C ATOM 769 O SER A 97 -11.476 1.940 3.207 1.00 0.18 O ATOM 770 CB SER A 97 -11.696 4.756 4.799 1.00 0.29 C ATOM 771 OG SER A 97 -11.925 3.733 5.756 1.00 1.32 O ATOM 0 H SER A 97 -10.960 6.243 2.996 1.00 0.16 H new ATOM 0 HA SER A 97 -9.967 3.823 3.923 1.00 0.20 H new ATOM 0 HB2 SER A 97 -11.142 5.571 5.264 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.651 5.166 4.470 1.00 0.29 H new ATOM 0 HG SER A 97 -12.422 4.101 6.516 1.00 1.32 H new ATOM 777 N LEU A 98 -12.573 3.458 1.965 1.00 0.18 N ATOM 778 CA LEU A 98 -13.261 2.452 1.161 1.00 0.18 C ATOM 779 C LEU A 98 -12.282 1.656 0.333 1.00 0.15 C ATOM 780 O LEU A 98 -12.403 0.445 0.195 1.00 0.18 O ATOM 781 CB LEU A 98 -14.251 3.102 0.217 1.00 0.21 C ATOM 782 CG LEU A 98 -15.586 3.483 0.834 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.511 4.010 -0.243 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.212 2.293 1.546 1.00 0.61 C ATOM 0 H LEU A 98 -12.831 4.421 1.751 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.782 1.792 1.855 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.794 3.999 -0.201 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.435 2.421 -0.614 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.422 4.265 1.575 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.468 4.283 0.201 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.064 4.888 -0.709 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.668 3.239 -0.997 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.167 2.590 1.980 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.373 1.485 0.832 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.545 1.950 2.337 1.00 0.61 H new ATOM 796 N PHE A 99 -11.316 2.364 -0.213 1.00 0.12 N ATOM 797 CA PHE A 99 -10.278 1.759 -1.036 1.00 0.11 C ATOM 798 C PHE A 99 -9.358 0.911 -0.170 1.00 0.11 C ATOM 799 O PHE A 99 -8.964 -0.188 -0.551 1.00 0.12 O ATOM 800 CB PHE A 99 -9.472 2.829 -1.770 1.00 0.12 C ATOM 801 CG PHE A 99 -8.260 2.281 -2.457 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.397 1.409 -3.518 1.00 0.15 C ATOM 803 CD2 PHE A 99 -6.987 2.628 -2.036 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.288 0.889 -4.153 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.873 2.114 -2.668 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.024 1.242 -3.728 1.00 0.18 C ATOM 0 H PHE A 99 -11.224 3.374 -0.102 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.756 1.123 -1.781 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.111 3.316 -2.507 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.164 3.596 -1.059 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.384 1.130 -3.855 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.865 3.307 -1.205 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.409 0.207 -4.981 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.885 2.393 -2.334 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.154 0.837 -4.223 1.00 0.18 H new ATOM 816 N LEU A 100 -9.029 1.425 1.002 1.00 0.12 N ATOM 817 CA LEU A 100 -8.235 0.684 1.968 1.00 0.14 C ATOM 818 C LEU A 100 -8.991 -0.554 2.432 1.00 0.16 C ATOM 819 O LEU A 100 -8.407 -1.493 2.950 1.00 0.21 O ATOM 820 CB LEU A 100 -7.903 1.575 3.157 1.00 0.17 C ATOM 821 CG LEU A 100 -7.226 2.886 2.792 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.348 3.873 3.934 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.774 2.638 2.444 1.00 0.22 C ATOM 0 H LEU A 100 -9.301 2.359 1.310 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.306 0.366 1.494 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.823 1.794 3.699 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.255 1.024 3.839 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.721 3.313 1.920 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.859 4.808 3.661 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.401 4.061 4.141 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.871 3.461 4.823 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.296 3.582 2.184 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.265 2.198 3.301 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.714 1.955 1.596 1.00 0.22 H new ATOM 835 N ALA A 101 -10.299 -0.551 2.243 1.00 0.16 N ATOM 836 CA ALA A 101 -11.103 -1.730 2.519 1.00 0.19 C ATOM 837 C ALA A 101 -11.585 -2.382 1.230 1.00 0.21 C ATOM 838 O ALA A 101 -12.432 -3.273 1.259 1.00 0.37 O ATOM 839 CB ALA A 101 -12.296 -1.376 3.394 1.00 0.23 C ATOM 0 H ALA A 101 -10.826 0.252 1.900 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.471 -2.441 3.051 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.884 -2.273 3.588 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.944 -0.961 4.339 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.916 -0.639 2.883 1.00 0.23 H new ATOM 845 N SER A 102 -11.042 -1.959 0.097 1.00 0.13 N ATOM 846 CA SER A 102 -11.519 -2.448 -1.187 1.00 0.15 C ATOM 847 C SER A 102 -10.639 -3.574 -1.707 1.00 0.17 C ATOM 848 O SER A 102 -9.488 -3.745 -1.288 1.00 0.25 O ATOM 849 CB SER A 102 -11.580 -1.312 -2.208 1.00 0.18 C ATOM 850 OG SER A 102 -10.287 -0.961 -2.663 1.00 1.40 O ATOM 0 H SER A 102 -10.278 -1.285 0.041 1.00 0.13 H new ATOM 0 HA SER A 102 -12.525 -2.841 -1.040 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.197 -1.614 -3.055 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.059 -0.442 -1.759 1.00 0.18 H new ATOM 0 HG SER A 102 -9.707 -0.783 -1.894 1.00 1.40 H new ATOM 856 N ALA A 103 -11.215 -4.347 -2.615 1.00 0.20 N ATOM 857 CA ALA A 103 -10.538 -5.469 -3.234 1.00 0.21 C ATOM 858 C ALA A 103 -9.335 -5.015 -4.044 1.00 0.18 C ATOM 859 O ALA A 103 -8.333 -5.723 -4.120 1.00 0.19 O ATOM 860 CB ALA A 103 -11.507 -6.215 -4.125 1.00 0.27 C ATOM 0 H ALA A 103 -12.171 -4.210 -2.943 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.179 -6.128 -2.444 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.998 -7.059 -4.590 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.343 -6.580 -3.528 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.880 -5.544 -4.899 1.00 0.27 H new ATOM 866 N GLU A 104 -9.448 -3.849 -4.670 1.00 0.17 N ATOM 867 CA GLU A 104 -8.365 -3.328 -5.488 1.00 0.17 C ATOM 868 C GLU A 104 -7.085 -3.163 -4.683 1.00 0.14 C ATOM 869 O GLU A 104 -6.017 -3.573 -5.132 1.00 0.14 O ATOM 870 CB GLU A 104 -8.732 -2.001 -6.115 1.00 0.22 C ATOM 871 CG GLU A 104 -7.873 -1.666 -7.316 1.00 0.30 C ATOM 872 CD GLU A 104 -8.170 -0.297 -7.883 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.362 0.024 -8.088 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.212 0.470 -8.109 1.00 1.70 O ATOM 0 H GLU A 104 -10.274 -3.252 -4.626 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.195 -4.059 -6.278 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.779 -2.024 -6.417 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.632 -1.212 -5.370 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.822 -1.716 -7.031 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.030 -2.417 -8.090 1.00 0.30 H new ATOM 881 N PHE A 105 -7.181 -2.578 -3.493 1.00 0.13 N ATOM 882 CA PHE A 105 -6.001 -2.380 -2.669 1.00 0.13 C ATOM 883 C PHE A 105 -5.459 -3.729 -2.236 1.00 0.12 C ATOM 884 O PHE A 105 -4.253 -3.924 -2.178 1.00 0.13 O ATOM 885 CB PHE A 105 -6.317 -1.514 -1.446 1.00 0.13 C ATOM 886 CG PHE A 105 -5.092 -1.045 -0.715 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.943 -0.746 -1.419 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.085 -0.899 0.665 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.806 -0.308 -0.768 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.950 -0.463 1.318 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.810 -0.166 0.599 1.00 0.14 C ATOM 0 H PHE A 105 -8.052 -2.238 -3.085 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.248 -1.856 -3.258 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.896 -0.647 -1.764 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.945 -2.082 -0.760 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.933 -0.856 -2.493 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.975 -1.128 1.232 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.915 -0.077 -1.333 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.954 -0.354 2.392 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.923 0.177 1.110 1.00 0.14 H new ATOM 901 N CYS A 106 -6.368 -4.663 -1.975 1.00 0.13 N ATOM 902 CA CYS A 106 -5.992 -6.035 -1.656 1.00 0.15 C ATOM 903 C CYS A 106 -5.161 -6.613 -2.788 1.00 0.15 C ATOM 904 O CYS A 106 -4.081 -7.171 -2.574 1.00 0.16 O ATOM 905 CB CYS A 106 -7.250 -6.889 -1.443 1.00 0.19 C ATOM 906 SG CYS A 106 -6.966 -8.666 -1.633 1.00 0.29 S ATOM 0 H CYS A 106 -7.374 -4.493 -1.978 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.403 -6.040 -0.739 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.643 -6.698 -0.444 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -8.016 -6.575 -2.152 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.690 -9.316 -0.770 1.00 0.29 H new ATOM 912 N ASN A 107 -5.689 -6.463 -3.991 1.00 0.14 N ATOM 913 CA ASN A 107 -5.021 -6.880 -5.210 1.00 0.16 C ATOM 914 C ASN A 107 -3.625 -6.295 -5.287 1.00 0.15 C ATOM 915 O ASN A 107 -2.635 -7.010 -5.385 1.00 0.17 O ATOM 916 CB ASN A 107 -5.815 -6.378 -6.407 1.00 0.18 C ATOM 917 CG ASN A 107 -6.151 -7.475 -7.395 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.471 -8.499 -7.460 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.193 -7.258 -8.183 1.00 0.34 N ATOM 0 H ASN A 107 -6.605 -6.043 -4.149 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.955 -7.968 -5.213 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.738 -5.917 -6.056 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.244 -5.601 -6.915 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.460 -7.954 -8.879 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.728 -6.394 -8.094 1.00 0.34 H new ATOM 926 N ILE A 108 -3.574 -4.979 -5.202 1.00 0.13 N ATOM 927 CA ILE A 108 -2.350 -4.222 -5.359 1.00 0.13 C ATOM 928 C ILE A 108 -1.340 -4.588 -4.278 1.00 0.11 C ATOM 929 O ILE A 108 -0.163 -4.804 -4.556 1.00 0.12 O ATOM 930 CB ILE A 108 -2.704 -2.728 -5.291 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.472 -2.326 -6.550 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.473 -1.866 -5.095 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.296 -1.071 -6.382 1.00 0.17 C ATOM 0 H ILE A 108 -4.393 -4.400 -5.019 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.890 -4.455 -6.319 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.340 -2.563 -4.421 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.764 -2.179 -7.366 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.129 -3.145 -6.842 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.766 -0.817 -5.052 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.979 -2.143 -4.164 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.787 -2.017 -5.928 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.813 -0.847 -7.315 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.028 -1.220 -5.589 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.642 -0.239 -6.121 1.00 0.17 H new ATOM 945 N LEU A 109 -1.836 -4.680 -3.061 1.00 0.09 N ATOM 946 CA LEU A 109 -1.034 -5.016 -1.898 1.00 0.08 C ATOM 947 C LEU A 109 -0.421 -6.394 -1.998 1.00 0.09 C ATOM 948 O LEU A 109 0.791 -6.562 -1.876 1.00 0.10 O ATOM 949 CB LEU A 109 -1.911 -4.940 -0.672 1.00 0.08 C ATOM 950 CG LEU A 109 -1.860 -3.598 0.025 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.844 -3.563 1.155 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.465 -3.318 0.531 1.00 0.07 C ATOM 0 H LEU A 109 -2.821 -4.522 -2.847 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.211 -4.304 -1.836 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.941 -5.153 -0.958 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.608 -5.717 0.030 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.127 -2.823 -0.693 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.797 -2.592 1.648 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.850 -3.725 0.767 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.602 -4.347 1.873 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.446 -2.349 1.030 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.171 -4.095 1.237 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.231 -3.308 -0.308 1.00 0.07 H new ATOM 964 N SER A 110 -1.265 -7.374 -2.221 1.00 0.10 N ATOM 965 CA SER A 110 -0.826 -8.747 -2.315 1.00 0.12 C ATOM 966 C SER A 110 0.175 -8.902 -3.455 1.00 0.12 C ATOM 967 O SER A 110 1.118 -9.688 -3.364 1.00 0.14 O ATOM 968 CB SER A 110 -2.027 -9.648 -2.511 1.00 0.15 C ATOM 969 OG SER A 110 -2.958 -9.493 -1.450 1.00 1.15 O ATOM 0 H SER A 110 -2.269 -7.244 -2.342 1.00 0.10 H new ATOM 0 HA SER A 110 -0.325 -9.036 -1.391 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.510 -9.415 -3.460 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.702 -10.687 -2.565 1.00 0.15 H new ATOM 0 HG SER A 110 -3.498 -8.689 -1.603 1.00 1.15 H new ATOM 975 N ARG A 111 -0.032 -8.131 -4.516 1.00 0.11 N ATOM 976 CA ARG A 111 0.908 -8.069 -5.620 1.00 0.12 C ATOM 977 C ARG A 111 2.264 -7.567 -5.162 1.00 0.11 C ATOM 978 O ARG A 111 3.274 -8.256 -5.294 1.00 0.13 O ATOM 979 CB ARG A 111 0.392 -7.122 -6.692 1.00 0.16 C ATOM 980 CG ARG A 111 -0.733 -7.681 -7.522 1.00 0.26 C ATOM 981 CD ARG A 111 -1.042 -6.775 -8.704 1.00 0.99 C ATOM 982 NE ARG A 111 -1.030 -5.359 -8.319 1.00 1.81 N ATOM 983 CZ ARG A 111 -0.678 -4.364 -9.139 1.00 2.57 C ATOM 984 NH1 ARG A 111 -0.429 -4.609 -10.421 1.00 2.67 N ATOM 985 NH2 ARG A 111 -0.591 -3.118 -8.680 1.00 3.55 N ATOM 0 H ARG A 111 -0.852 -7.536 -4.632 1.00 0.11 H new ATOM 0 HA ARG A 111 1.011 -9.079 -6.017 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.054 -6.202 -6.215 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.217 -6.855 -7.352 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.465 -8.675 -7.881 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.624 -7.795 -6.904 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -0.310 -6.944 -9.493 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -2.018 -7.032 -9.115 1.00 0.99 H new ATOM 0 HE ARG A 111 -1.307 -5.119 -7.367 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -0.506 -5.559 -10.783 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -0.161 -3.847 -11.043 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -0.793 -2.920 -7.700 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -0.322 -2.361 -9.308 1.00 3.55 H new ATOM 999 N VAL A 112 2.275 -6.368 -4.597 1.00 0.10 N ATOM 1000 CA VAL A 112 3.528 -5.697 -4.280 1.00 0.10 C ATOM 1001 C VAL A 112 4.285 -6.411 -3.194 1.00 0.11 C ATOM 1002 O VAL A 112 5.490 -6.551 -3.295 1.00 0.12 O ATOM 1003 CB VAL A 112 3.356 -4.224 -3.858 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.104 -3.349 -5.057 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.246 -4.051 -2.845 1.00 0.10 C ATOM 0 H VAL A 112 1.436 -5.843 -4.350 1.00 0.10 H new ATOM 0 HA VAL A 112 4.090 -5.721 -5.213 1.00 0.10 H new ATOM 0 HB VAL A 112 4.289 -3.917 -3.385 1.00 0.10 H new ATOM 0 HG11 VAL A 112 2.986 -2.315 -4.734 1.00 0.11 H new ATOM 0 HG12 VAL A 112 3.948 -3.421 -5.744 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.196 -3.677 -5.563 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.160 -2.998 -2.576 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.305 -4.394 -3.275 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.472 -4.636 -1.954 1.00 0.10 H new ATOM 1015 N LEU A 113 3.587 -6.854 -2.159 1.00 0.10 N ATOM 1016 CA LEU A 113 4.238 -7.561 -1.076 1.00 0.11 C ATOM 1017 C LEU A 113 4.990 -8.755 -1.608 1.00 0.12 C ATOM 1018 O LEU A 113 6.195 -8.847 -1.470 1.00 0.14 O ATOM 1019 CB LEU A 113 3.216 -8.028 -0.054 1.00 0.11 C ATOM 1020 CG LEU A 113 3.222 -7.207 1.210 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.945 -6.402 1.304 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.424 -8.078 2.436 1.00 0.28 C ATOM 0 H LEU A 113 2.580 -6.736 -2.050 1.00 0.10 H new ATOM 0 HA LEU A 113 4.937 -6.876 -0.596 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.222 -7.989 -0.500 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.413 -9.070 0.197 1.00 0.11 H new ATOM 0 HG LEU A 113 4.064 -6.516 1.173 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.954 -5.810 2.219 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.870 -5.738 0.443 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.089 -7.077 1.317 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.423 -7.454 3.330 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.616 -8.807 2.502 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.378 -8.600 2.359 1.00 0.28 H new ATOM 1034 N SER A 114 4.266 -9.604 -2.295 1.00 0.13 N ATOM 1035 CA SER A 114 4.813 -10.852 -2.814 1.00 0.15 C ATOM 1036 C SER A 114 5.992 -10.586 -3.741 1.00 0.15 C ATOM 1037 O SER A 114 6.977 -11.328 -3.754 1.00 0.17 O ATOM 1038 CB SER A 114 3.725 -11.629 -3.551 1.00 0.17 C ATOM 1039 OG SER A 114 2.596 -11.835 -2.713 1.00 1.00 O ATOM 0 H SER A 114 3.281 -9.458 -2.515 1.00 0.13 H new ATOM 0 HA SER A 114 5.171 -11.448 -1.974 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.425 -11.083 -4.446 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.119 -12.590 -3.881 1.00 0.17 H new ATOM 0 HG SER A 114 1.900 -11.182 -2.935 1.00 1.00 H new ATOM 1045 N ARG A 115 5.887 -9.520 -4.511 1.00 0.13 N ATOM 1046 CA ARG A 115 6.967 -9.095 -5.369 1.00 0.14 C ATOM 1047 C ARG A 115 8.110 -8.511 -4.548 1.00 0.14 C ATOM 1048 O ARG A 115 9.271 -8.741 -4.843 1.00 0.18 O ATOM 1049 CB ARG A 115 6.446 -8.057 -6.354 1.00 0.17 C ATOM 1050 CG ARG A 115 5.477 -8.613 -7.376 1.00 0.24 C ATOM 1051 CD ARG A 115 4.936 -7.511 -8.261 1.00 0.35 C ATOM 1052 NE ARG A 115 4.109 -8.031 -9.345 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.607 -7.285 -10.324 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.850 -5.980 -10.361 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.868 -7.850 -11.268 1.00 1.83 N ATOM 0 H ARG A 115 5.056 -8.931 -4.557 1.00 0.13 H new ATOM 0 HA ARG A 115 7.348 -9.958 -5.914 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.954 -7.258 -5.799 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.292 -7.609 -6.876 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.978 -9.363 -7.988 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.653 -9.114 -6.867 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.349 -6.819 -7.658 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.767 -6.943 -8.680 1.00 0.35 H new ATOM 0 HE ARG A 115 3.903 -9.030 -9.352 1.00 0.84 H new ATOM 0 HH11 ARG A 115 4.423 -5.547 -9.637 1.00 1.20 H new ATOM 0 HH12 ARG A 115 3.463 -5.410 -11.114 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.686 -8.853 -11.241 1.00 1.83 H new ATOM 0 HH22 ARG A 115 2.481 -7.281 -12.021 1.00 1.83 H new ATOM 1069 N ALA A 116 7.755 -7.754 -3.524 1.00 0.13 N ATOM 1070 CA ALA A 116 8.731 -7.051 -2.686 1.00 0.14 C ATOM 1071 C ALA A 116 9.606 -8.016 -1.893 1.00 0.16 C ATOM 1072 O ALA A 116 10.823 -7.850 -1.822 1.00 0.18 O ATOM 1073 CB ALA A 116 8.010 -6.088 -1.757 1.00 0.15 C ATOM 0 H ALA A 116 6.785 -7.605 -3.244 1.00 0.13 H new ATOM 0 HA ALA A 116 9.396 -6.489 -3.343 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.739 -5.567 -1.136 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.452 -5.362 -2.348 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.321 -6.643 -1.120 1.00 0.15 H new ATOM 1079 N ARG A 117 8.983 -9.021 -1.297 1.00 0.19 N ATOM 1080 CA ARG A 117 9.690 -10.028 -0.528 1.00 0.24 C ATOM 1081 C ARG A 117 10.704 -10.774 -1.395 1.00 0.26 C ATOM 1082 O ARG A 117 11.759 -11.197 -0.919 1.00 0.32 O ATOM 1083 CB ARG A 117 8.668 -10.973 0.046 1.00 0.28 C ATOM 1084 CG ARG A 117 7.444 -10.224 0.503 1.00 0.61 C ATOM 1085 CD ARG A 117 6.676 -11.001 1.497 1.00 0.34 C ATOM 1086 NE ARG A 117 6.181 -12.268 0.954 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.261 -13.033 1.543 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.725 -12.673 2.704 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.874 -14.162 0.962 1.00 2.33 N ATOM 0 H ARG A 117 7.973 -9.160 -1.334 1.00 0.19 H new ATOM 0 HA ARG A 117 10.254 -9.555 0.276 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.388 -11.713 -0.704 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.101 -11.518 0.885 1.00 0.28 H new ATOM 0 HG2 ARG A 117 7.741 -9.269 0.936 1.00 0.61 H new ATOM 0 HG3 ARG A 117 6.810 -10.001 -0.355 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.307 -11.202 2.363 1.00 0.34 H new ATOM 0 HD3 ARG A 117 5.833 -10.405 1.848 1.00 0.34 H new ATOM 0 HE ARG A 117 6.566 -12.587 0.065 1.00 1.22 H new ATOM 0 HH11 ARG A 117 5.016 -11.805 3.153 1.00 1.30 H new ATOM 0 HH12 ARG A 117 4.022 -13.265 3.147 1.00 1.30 H new ATOM 0 HH21 ARG A 117 5.280 -14.441 0.069 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.171 -14.750 1.409 1.00 2.33 H new ATOM 1103 N SER A 118 10.377 -10.915 -2.675 1.00 0.26 N ATOM 1104 CA SER A 118 11.238 -11.602 -3.628 1.00 0.31 C ATOM 1105 C SER A 118 12.219 -10.637 -4.264 1.00 0.28 C ATOM 1106 O SER A 118 13.368 -10.981 -4.550 1.00 0.32 O ATOM 1107 CB SER A 118 10.385 -12.220 -4.722 1.00 0.37 C ATOM 1108 OG SER A 118 11.040 -13.313 -5.344 1.00 0.68 O ATOM 0 H SER A 118 9.511 -10.558 -3.079 1.00 0.26 H new ATOM 0 HA SER A 118 11.794 -12.373 -3.094 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.438 -12.556 -4.299 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.149 -11.464 -5.470 1.00 0.37 H new ATOM 0 HG SER A 118 10.462 -13.687 -6.041 1.00 0.68 H new ATOM 1114 N ARG A 119 11.753 -9.427 -4.469 1.00 0.23 N ATOM 1115 CA ARG A 119 12.487 -8.424 -5.197 1.00 0.20 C ATOM 1116 C ARG A 119 12.560 -7.132 -4.413 1.00 0.18 C ATOM 1117 O ARG A 119 11.922 -6.140 -4.765 1.00 0.17 O ATOM 1118 CB ARG A 119 11.803 -8.186 -6.532 1.00 0.25 C ATOM 1119 CG ARG A 119 12.320 -9.067 -7.642 1.00 0.33 C ATOM 1120 CD ARG A 119 13.522 -8.439 -8.330 1.00 0.33 C ATOM 1121 NE ARG A 119 14.182 -9.375 -9.237 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.351 -9.149 -9.828 1.00 0.97 C ATOM 1123 NH1 ARG A 119 15.984 -7.995 -9.642 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.881 -10.079 -10.611 1.00 1.19 N ATOM 0 H ARG A 119 10.844 -9.110 -4.131 1.00 0.23 H new ATOM 0 HA ARG A 119 13.506 -8.775 -5.359 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.732 -8.352 -6.417 1.00 0.25 H new ATOM 0 HB3 ARG A 119 11.935 -7.142 -6.817 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.597 -10.041 -7.238 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.529 -9.238 -8.372 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.202 -7.558 -8.887 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.234 -8.099 -7.578 1.00 0.33 H new ATOM 0 HE ARG A 119 13.715 -10.261 -9.430 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.573 -7.278 -9.044 1.00 1.48 H new ATOM 0 HH12 ARG A 119 16.881 -7.826 -10.098 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.392 -10.962 -10.757 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.778 -9.911 -11.067 1.00 1.19 H new ATOM 1138 N PRO A 120 13.356 -7.123 -3.344 1.00 0.19 N ATOM 1139 CA PRO A 120 13.548 -5.942 -2.510 1.00 0.19 C ATOM 1140 C PRO A 120 14.360 -4.861 -3.218 1.00 0.20 C ATOM 1141 O PRO A 120 14.594 -3.788 -2.668 1.00 0.21 O ATOM 1142 CB PRO A 120 14.296 -6.495 -1.309 1.00 0.23 C ATOM 1143 CG PRO A 120 15.064 -7.622 -1.872 1.00 0.25 C ATOM 1144 CD PRO A 120 14.121 -8.271 -2.834 1.00 0.22 C ATOM 0 HA PRO A 120 12.609 -5.452 -2.252 1.00 0.19 H new ATOM 0 HB2 PRO A 120 14.951 -5.746 -0.864 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.612 -6.826 -0.527 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.968 -7.276 -2.374 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.378 -8.317 -1.093 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.649 -8.794 -3.631 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.479 -9.002 -2.343 1.00 0.22 H new ATOM 1152 N ALA A 121 14.795 -5.150 -4.444 1.00 0.20 N ATOM 1153 CA ALA A 121 15.411 -4.127 -5.277 1.00 0.22 C ATOM 1154 C ALA A 121 14.312 -3.340 -5.955 1.00 0.19 C ATOM 1155 O ALA A 121 14.411 -2.135 -6.179 1.00 0.21 O ATOM 1156 CB ALA A 121 16.320 -4.741 -6.323 1.00 0.25 C ATOM 0 H ALA A 121 14.732 -6.072 -4.875 1.00 0.20 H new ATOM 0 HA ALA A 121 16.020 -3.476 -4.650 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.764 -3.951 -6.928 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.110 -5.308 -5.831 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.741 -5.406 -6.963 1.00 0.25 H new ATOM 1162 N LYS A 122 13.252 -4.056 -6.273 1.00 0.16 N ATOM 1163 CA LYS A 122 12.091 -3.471 -6.892 1.00 0.16 C ATOM 1164 C LYS A 122 11.116 -2.984 -5.834 1.00 0.11 C ATOM 1165 O LYS A 122 10.042 -2.495 -6.155 1.00 0.11 O ATOM 1166 CB LYS A 122 11.425 -4.470 -7.818 1.00 0.20 C ATOM 1167 CG LYS A 122 12.343 -4.913 -8.933 1.00 0.27 C ATOM 1168 CD LYS A 122 11.605 -5.089 -10.235 1.00 0.41 C ATOM 1169 CE LYS A 122 10.512 -6.114 -10.111 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.844 -6.387 -11.410 1.00 1.07 N ATOM 0 H LYS A 122 13.176 -5.060 -6.107 1.00 0.16 H new ATOM 0 HA LYS A 122 12.408 -2.614 -7.486 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.108 -5.340 -7.243 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.526 -4.025 -8.245 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.137 -4.178 -9.063 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.821 -5.853 -8.657 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.178 -4.135 -10.545 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.305 -5.393 -11.014 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.929 -7.041 -9.718 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.772 -5.767 -9.390 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 9.099 -7.099 -11.274 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.422 -5.509 -11.775 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.544 -6.744 -12.092 1.00 1.07 H new ATOM 1184 N LEU A 123 11.484 -3.165 -4.566 1.00 0.10 N ATOM 1185 CA LEU A 123 10.725 -2.631 -3.446 1.00 0.08 C ATOM 1186 C LEU A 123 10.301 -1.189 -3.680 1.00 0.08 C ATOM 1187 O LEU A 123 9.153 -0.852 -3.453 1.00 0.13 O ATOM 1188 CB LEU A 123 11.556 -2.722 -2.178 1.00 0.12 C ATOM 1189 CG LEU A 123 10.880 -2.193 -0.924 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.569 -2.908 -0.678 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.797 -2.352 0.262 1.00 0.23 C ATOM 0 H LEU A 123 12.317 -3.686 -4.291 1.00 0.10 H new ATOM 0 HA LEU A 123 9.819 -3.228 -3.344 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.826 -3.765 -2.014 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.485 -2.172 -2.331 1.00 0.12 H new ATOM 0 HG LEU A 123 10.666 -1.134 -1.066 1.00 0.14 H new ATOM 0 HD11 LEU A 123 9.103 -2.513 0.225 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.904 -2.752 -1.528 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.754 -3.975 -0.554 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.305 -1.970 1.156 1.00 0.23 H new ATOM 0 HD22 LEU A 123 12.034 -3.407 0.400 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.717 -1.794 0.088 1.00 0.23 H new ATOM 1203 N TYR A 124 11.211 -0.349 -4.157 1.00 0.11 N ATOM 1204 CA TYR A 124 10.884 1.014 -4.481 1.00 0.10 C ATOM 1205 C TYR A 124 9.816 1.077 -5.550 1.00 0.11 C ATOM 1206 O TYR A 124 8.955 1.936 -5.503 1.00 0.14 O ATOM 1207 CB TYR A 124 12.145 1.740 -4.912 1.00 0.14 C ATOM 1208 CG TYR A 124 13.087 1.863 -3.763 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.562 2.061 -2.516 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.459 1.777 -3.903 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.357 2.177 -1.415 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.285 1.892 -2.803 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.727 2.095 -1.554 1.00 1.45 C ATOM 1214 OH TYR A 124 15.537 2.205 -0.446 1.00 1.89 O ATOM 0 H TYR A 124 12.185 -0.600 -4.325 1.00 0.11 H new ATOM 0 HA TYR A 124 10.478 1.507 -3.598 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.624 1.199 -5.728 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.892 2.730 -5.291 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.490 2.127 -2.401 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.889 1.619 -4.881 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.918 2.332 -0.441 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.357 1.824 -2.917 1.00 1.74 H new ATOM 0 HH TYR A 124 16.475 2.124 -0.717 1.00 1.89 H new ATOM 1224 N VAL A 125 9.819 0.130 -6.467 1.00 0.10 N ATOM 1225 CA VAL A 125 8.815 0.102 -7.514 1.00 0.12 C ATOM 1226 C VAL A 125 7.460 -0.061 -6.866 1.00 0.11 C ATOM 1227 O VAL A 125 6.503 0.636 -7.176 1.00 0.14 O ATOM 1228 CB VAL A 125 9.028 -1.091 -8.457 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.004 -1.087 -9.563 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.428 -1.106 -9.021 1.00 0.18 C ATOM 0 H VAL A 125 10.501 -0.627 -6.509 1.00 0.10 H new ATOM 0 HA VAL A 125 8.886 1.027 -8.087 1.00 0.12 H new ATOM 0 HB VAL A 125 8.898 -2.002 -7.873 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.174 -1.941 -10.219 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.004 -1.153 -9.134 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.092 -0.165 -10.137 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.544 -1.963 -9.684 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.605 -0.188 -9.581 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.148 -1.178 -8.206 1.00 0.18 H new ATOM 1240 N TYR A 126 7.444 -0.989 -5.932 1.00 0.07 N ATOM 1241 CA TYR A 126 6.265 -1.383 -5.181 1.00 0.08 C ATOM 1242 C TYR A 126 5.842 -0.289 -4.215 1.00 0.08 C ATOM 1243 O TYR A 126 4.664 0.047 -4.118 1.00 0.10 O ATOM 1244 CB TYR A 126 6.630 -2.658 -4.433 1.00 0.11 C ATOM 1245 CG TYR A 126 7.239 -3.696 -5.336 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.807 -3.856 -6.650 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.261 -4.499 -4.881 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.387 -4.796 -7.476 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.840 -5.445 -5.700 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.401 -5.588 -6.991 1.00 0.28 C ATOM 1251 OH TYR A 126 8.964 -6.547 -7.790 1.00 0.36 O ATOM 0 H TYR A 126 8.279 -1.509 -5.664 1.00 0.07 H new ATOM 0 HA TYR A 126 5.419 -1.551 -5.848 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.331 -2.419 -3.633 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.737 -3.068 -3.962 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.007 -3.236 -7.027 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.615 -4.386 -3.867 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.048 -4.909 -8.495 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.637 -6.071 -5.326 1.00 0.27 H new ATOM 0 HH TYR A 126 8.339 -6.784 -8.507 1.00 0.36 H new ATOM 1261 N ILE A 127 6.813 0.255 -3.500 1.00 0.08 N ATOM 1262 CA ILE A 127 6.602 1.387 -2.618 1.00 0.11 C ATOM 1263 C ILE A 127 5.984 2.535 -3.387 1.00 0.12 C ATOM 1264 O ILE A 127 4.922 3.043 -3.030 1.00 0.14 O ATOM 1265 CB ILE A 127 7.949 1.829 -2.010 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.448 0.782 -1.024 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.842 3.185 -1.339 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.918 0.913 -0.724 1.00 0.13 C ATOM 0 H ILE A 127 7.776 -0.080 -3.517 1.00 0.08 H new ATOM 0 HA ILE A 127 5.924 1.093 -1.816 1.00 0.11 H new ATOM 0 HB ILE A 127 8.669 1.923 -2.823 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.884 0.867 -0.095 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.252 -0.212 -1.427 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.810 3.462 -0.923 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.535 3.931 -2.072 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.103 3.138 -0.539 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.215 0.140 -0.016 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.489 0.800 -1.646 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.115 1.895 -0.293 1.00 0.13 H new ATOM 1280 N ASN A 128 6.653 2.919 -4.458 1.00 0.12 N ATOM 1281 CA ASN A 128 6.153 3.967 -5.333 1.00 0.15 C ATOM 1282 C ASN A 128 4.807 3.583 -5.944 1.00 0.12 C ATOM 1283 O ASN A 128 3.933 4.432 -6.089 1.00 0.12 O ATOM 1284 CB ASN A 128 7.168 4.277 -6.434 1.00 0.20 C ATOM 1285 CG ASN A 128 8.356 5.097 -5.945 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.320 6.330 -5.938 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.424 4.417 -5.549 1.00 0.42 N ATOM 0 H ASN A 128 7.547 2.520 -4.745 1.00 0.12 H new ATOM 0 HA ASN A 128 6.006 4.863 -4.730 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.531 3.341 -6.858 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.668 4.818 -7.238 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.253 4.914 -5.224 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.416 3.397 -5.569 1.00 0.42 H new ATOM 1294 N GLU A 129 4.645 2.307 -6.293 1.00 0.11 N ATOM 1295 CA GLU A 129 3.385 1.791 -6.820 1.00 0.10 C ATOM 1296 C GLU A 129 2.248 2.076 -5.876 1.00 0.09 C ATOM 1297 O GLU A 129 1.301 2.765 -6.218 1.00 0.14 O ATOM 1298 CB GLU A 129 3.469 0.287 -6.995 1.00 0.14 C ATOM 1299 CG GLU A 129 2.883 -0.210 -8.291 1.00 0.26 C ATOM 1300 CD GLU A 129 1.451 0.218 -8.555 1.00 1.41 C ATOM 1301 OE1 GLU A 129 0.523 -0.502 -8.129 1.00 1.55 O ATOM 1302 OE2 GLU A 129 1.249 1.307 -9.134 1.00 2.29 O ATOM 0 H GLU A 129 5.381 1.605 -6.218 1.00 0.11 H new ATOM 0 HA GLU A 129 3.206 2.283 -7.776 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.514 -0.018 -6.940 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.952 -0.195 -6.165 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.508 0.140 -9.113 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.928 -1.299 -8.298 1.00 0.26 H new ATOM 1309 N LEU A 130 2.389 1.561 -4.675 1.00 0.07 N ATOM 1310 CA LEU A 130 1.356 1.624 -3.674 1.00 0.08 C ATOM 1311 C LEU A 130 1.083 3.069 -3.319 1.00 0.09 C ATOM 1312 O LEU A 130 -0.059 3.482 -3.185 1.00 0.10 O ATOM 1313 CB LEU A 130 1.804 0.853 -2.446 1.00 0.08 C ATOM 1314 CG LEU A 130 0.675 0.225 -1.653 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.032 -0.899 -2.443 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.194 -0.278 -0.327 1.00 0.08 C ATOM 0 H LEU A 130 3.235 1.082 -4.366 1.00 0.07 H new ATOM 0 HA LEU A 130 0.438 1.179 -4.058 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.494 0.068 -2.757 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.360 1.526 -1.793 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.087 0.981 -1.463 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.776 -1.338 -1.859 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.368 -0.505 -3.377 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.778 -1.663 -2.662 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.377 -0.728 0.237 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.970 -1.024 -0.499 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.611 0.554 0.240 1.00 0.08 H new ATOM 1328 N CYS A 131 2.149 3.835 -3.208 1.00 0.11 N ATOM 1329 CA CYS A 131 2.056 5.248 -2.944 1.00 0.13 C ATOM 1330 C CYS A 131 1.297 5.962 -4.067 1.00 0.13 C ATOM 1331 O CYS A 131 0.508 6.877 -3.819 1.00 0.14 O ATOM 1332 CB CYS A 131 3.467 5.799 -2.801 1.00 0.18 C ATOM 1333 SG CYS A 131 4.285 5.348 -1.253 1.00 1.39 S ATOM 0 H CYS A 131 3.105 3.490 -3.299 1.00 0.11 H new ATOM 0 HA CYS A 131 1.500 5.419 -2.022 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.071 5.442 -3.635 1.00 0.18 H new ATOM 0 HB3 CYS A 131 3.430 6.886 -2.876 1.00 0.18 H new ATOM 0 HG CYS A 131 4.944 4.240 -1.417 1.00 1.39 H new ATOM 1339 N THR A 132 1.553 5.538 -5.296 1.00 0.12 N ATOM 1340 CA THR A 132 0.839 6.049 -6.463 1.00 0.14 C ATOM 1341 C THR A 132 -0.612 5.574 -6.443 1.00 0.11 C ATOM 1342 O THR A 132 -1.535 6.351 -6.668 1.00 0.15 O ATOM 1343 CB THR A 132 1.527 5.599 -7.767 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.867 6.108 -7.802 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.765 6.078 -8.993 1.00 0.24 C ATOM 0 H THR A 132 2.258 4.834 -5.515 1.00 0.12 H new ATOM 0 HA THR A 132 0.856 7.138 -6.424 1.00 0.14 H new ATOM 0 HB THR A 132 1.541 4.509 -7.784 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.478 5.449 -7.411 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.278 5.743 -9.894 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.245 5.668 -8.977 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.715 7.167 -8.988 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.781 4.290 -6.178 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.080 3.670 -5.955 1.00 0.07 C ATOM 1355 C VAL A 133 -2.925 4.448 -4.953 1.00 0.07 C ATOM 1356 O VAL A 133 -4.088 4.768 -5.206 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.862 2.242 -5.431 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.093 1.683 -4.756 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.423 1.332 -6.555 1.00 0.10 C ATOM 0 H VAL A 133 -0.003 3.633 -6.110 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.618 3.662 -6.903 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.076 2.292 -4.678 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.887 0.672 -4.403 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.362 2.315 -3.910 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.918 1.658 -5.467 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.272 0.324 -6.169 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.190 1.313 -7.329 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.489 1.702 -6.979 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.327 4.750 -3.820 1.00 0.10 N ATOM 1370 CA LEU A 134 -3.012 5.444 -2.744 1.00 0.11 C ATOM 1371 C LEU A 134 -3.315 6.883 -3.140 1.00 0.14 C ATOM 1372 O LEU A 134 -4.310 7.455 -2.711 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.146 5.398 -1.491 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.813 3.988 -0.999 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.679 4.028 0.011 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.043 3.324 -0.406 1.00 0.16 C ATOM 0 H LEU A 134 -1.354 4.523 -3.617 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.963 4.950 -2.542 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.215 5.929 -1.689 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.656 5.936 -0.692 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.486 3.394 -1.853 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.457 3.016 0.349 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.208 4.458 -0.455 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.973 4.639 0.864 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.786 2.322 -0.062 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.405 3.915 0.435 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.822 3.258 -1.165 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.452 7.448 -3.975 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.613 8.774 -4.497 1.00 0.17 C ATOM 1390 C LYS A 135 -3.698 8.777 -5.561 1.00 0.15 C ATOM 1391 O LYS A 135 -4.331 9.795 -5.837 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.272 9.204 -5.077 1.00 0.23 C ATOM 1393 CG LYS A 135 -1.001 10.666 -4.897 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.732 11.484 -5.930 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.044 11.403 -7.283 1.00 1.32 C ATOM 1396 NZ LYS A 135 -1.616 12.365 -8.258 1.00 1.82 N ATOM 0 H LYS A 135 -1.610 6.978 -4.307 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.917 9.471 -3.716 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.476 8.631 -4.602 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.248 8.963 -6.140 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -1.309 10.976 -3.898 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.070 10.853 -4.972 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.759 11.129 -6.019 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.782 12.524 -5.606 1.00 0.68 H new ATOM 0 HE2 LYS A 135 0.021 11.601 -7.160 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -1.136 10.391 -7.676 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.118 12.276 -9.167 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -2.626 12.160 -8.396 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -1.505 13.334 -7.896 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.900 7.615 -6.154 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.895 7.440 -7.180 1.00 0.14 C ATOM 1412 C ALA A 136 -6.275 7.346 -6.552 1.00 0.16 C ATOM 1413 O ALA A 136 -7.280 7.735 -7.147 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.586 6.177 -7.966 1.00 0.17 C ATOM 0 H ALA A 136 -3.375 6.769 -5.933 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.879 8.296 -7.855 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.337 6.040 -8.744 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.601 6.265 -8.424 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.599 5.318 -7.295 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.310 6.812 -5.339 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.568 6.556 -4.653 1.00 0.23 C ATOM 1422 C HIS A 137 -7.557 7.140 -3.249 1.00 0.24 C ATOM 1423 O HIS A 137 -7.896 6.465 -2.281 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.834 5.052 -4.596 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.669 4.378 -5.921 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -8.231 4.855 -7.079 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.945 3.298 -6.275 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.854 4.099 -8.087 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -7.077 3.141 -7.628 1.00 0.34 N ATOM 0 H HIS A 137 -5.480 6.547 -4.809 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.367 7.042 -5.213 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -7.155 4.596 -3.876 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.847 4.881 -4.232 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.367 2.671 -5.612 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -8.135 4.241 -9.120 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.646 2.405 -8.187 1.00 0.34 H new ATOM 1438 N SER A 138 -7.132 8.384 -3.153 1.00 0.26 N ATOM 1439 CA SER A 138 -7.167 9.122 -1.910 1.00 0.30 C ATOM 1440 C SER A 138 -8.582 9.637 -1.647 1.00 0.36 C ATOM 1441 O SER A 138 -9.295 9.990 -2.586 1.00 0.56 O ATOM 1442 CB SER A 138 -6.203 10.291 -2.031 1.00 0.40 C ATOM 1443 OG SER A 138 -5.067 9.936 -2.800 1.00 1.23 O ATOM 0 H SER A 138 -6.752 8.912 -3.939 1.00 0.26 H new ATOM 0 HA SER A 138 -6.878 8.478 -1.080 1.00 0.30 H new ATOM 0 HB2 SER A 138 -6.709 11.138 -2.494 1.00 0.40 H new ATOM 0 HB3 SER A 138 -5.888 10.612 -1.038 1.00 0.40 H new ATOM 0 HG SER A 138 -4.716 9.076 -2.488 1.00 1.23 H new ATOM 1449 N ALA A 139 -9.000 9.684 -0.380 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.317 10.202 -0.024 1.00 0.34 C ATOM 1451 C ALA A 139 -10.211 11.686 0.313 1.00 0.72 C ATOM 1452 O ALA A 139 -11.183 12.335 0.700 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.876 9.432 1.159 1.00 0.26 C ATOM 0 H ALA A 139 -8.443 9.369 0.414 1.00 0.26 H new ATOM 0 HA ALA A 139 -10.993 10.078 -0.870 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.859 9.826 1.418 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.965 8.377 0.898 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -10.206 9.539 2.012 1.00 0.26 H new ATOM 1459 N LYS A 140 -9.000 12.190 0.167 1.00 1.04 N ATOM 1460 CA LYS A 140 -8.670 13.587 0.377 1.00 1.45 C ATOM 1461 C LYS A 140 -7.327 13.809 -0.281 1.00 1.34 C ATOM 1462 O LYS A 140 -6.548 12.864 -0.383 1.00 1.80 O ATOM 1463 CB LYS A 140 -8.626 13.985 1.866 1.00 2.25 C ATOM 1464 CG LYS A 140 -7.496 13.357 2.677 1.00 3.01 C ATOM 1465 CD LYS A 140 -7.791 11.913 3.048 1.00 3.61 C ATOM 1466 CE LYS A 140 -9.020 11.794 3.938 1.00 4.40 C ATOM 1467 NZ LYS A 140 -9.272 10.390 4.350 1.00 4.94 N ATOM 0 H LYS A 140 -8.197 11.624 -0.108 1.00 1.04 H new ATOM 0 HA LYS A 140 -9.447 14.216 -0.058 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -8.539 15.070 1.933 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -9.576 13.712 2.326 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -6.571 13.401 2.103 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -7.336 13.938 3.585 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -7.943 11.329 2.140 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -6.929 11.487 3.561 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -8.888 12.414 4.825 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -9.891 12.178 3.407 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -10.297 10.214 4.375 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -8.826 9.743 3.669 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -8.870 10.228 5.295 1.00 4.94 H new ATOM 1481 N LYS A 141 -7.034 15.028 -0.703 1.00 1.51 N ATOM 1482 CA LYS A 141 -5.914 15.241 -1.602 1.00 2.10 C ATOM 1483 C LYS A 141 -5.827 16.699 -2.024 1.00 2.90 C ATOM 1484 O LYS A 141 -6.461 17.117 -2.992 1.00 3.44 O ATOM 1485 CB LYS A 141 -6.063 14.358 -2.838 1.00 2.17 C ATOM 1486 CG LYS A 141 -4.737 13.977 -3.452 1.00 2.04 C ATOM 1487 CD LYS A 141 -4.924 13.162 -4.716 1.00 2.31 C ATOM 1488 CE LYS A 141 -5.696 13.938 -5.766 1.00 3.03 C ATOM 1489 NZ LYS A 141 -4.917 15.091 -6.293 1.00 3.84 N ATOM 0 H LYS A 141 -7.546 15.871 -0.443 1.00 1.51 H new ATOM 0 HA LYS A 141 -4.998 14.977 -1.074 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -6.606 13.452 -2.568 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -6.665 14.881 -3.581 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -4.168 14.878 -3.680 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -4.152 13.405 -2.732 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -3.950 12.877 -5.115 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -5.454 12.239 -4.481 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -5.959 13.272 -6.588 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -6.631 14.298 -5.336 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -5.422 15.511 -7.099 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -4.804 15.805 -5.545 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -3.980 14.764 -6.604 1.00 3.84 H new ATOM 1503 N LYS A 142 -5.052 17.468 -1.285 1.00 3.43 N ATOM 1504 CA LYS A 142 -4.829 18.862 -1.614 1.00 4.37 C ATOM 1505 C LYS A 142 -3.335 19.145 -1.668 1.00 4.96 C ATOM 1506 O LYS A 142 -2.630 18.957 -0.674 1.00 5.45 O ATOM 1507 CB LYS A 142 -5.531 19.771 -0.593 1.00 5.00 C ATOM 1508 CG LYS A 142 -5.160 19.493 0.841 1.00 5.31 C ATOM 1509 CD LYS A 142 -6.053 20.244 1.818 1.00 5.43 C ATOM 1510 CE LYS A 142 -6.007 21.750 1.592 1.00 6.16 C ATOM 1511 NZ LYS A 142 -6.815 22.484 2.603 1.00 6.56 N ATOM 0 H LYS A 142 -4.564 17.149 -0.448 1.00 3.43 H new ATOM 0 HA LYS A 142 -5.255 19.073 -2.595 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -5.292 20.809 -0.823 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -6.609 19.660 -0.705 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -5.233 18.423 1.033 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -4.121 19.777 1.008 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -7.080 19.893 1.714 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -5.742 20.021 2.839 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -4.973 22.093 1.634 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -6.378 21.979 0.593 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -6.759 23.506 2.417 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -7.806 22.175 2.546 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -6.445 22.285 3.554 1.00 6.56 H new ATOM 1525 N LEU A 143 -2.851 19.523 -2.857 1.00 5.33 N ATOM 1526 CA LEU A 143 -1.446 19.876 -3.087 1.00 6.23 C ATOM 1527 C LEU A 143 -0.594 18.611 -3.241 1.00 7.01 C ATOM 1528 O LEU A 143 0.279 18.543 -4.106 1.00 7.76 O ATOM 1529 CB LEU A 143 -0.910 20.785 -1.970 1.00 6.61 C ATOM 1530 CG LEU A 143 0.165 21.788 -2.390 1.00 6.79 C ATOM 1531 CD1 LEU A 143 0.347 22.842 -1.312 1.00 7.64 C ATOM 1532 CD2 LEU A 143 1.491 21.096 -2.669 1.00 6.92 C ATOM 0 H LEU A 143 -3.430 19.593 -3.694 1.00 5.33 H new ATOM 0 HA LEU A 143 -1.383 20.440 -4.018 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -1.747 21.336 -1.542 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -0.504 20.156 -1.178 1.00 6.61 H new ATOM 0 HG LEU A 143 -0.167 22.267 -3.311 1.00 6.79 H new ATOM 0 HD11 LEU A 143 1.115 23.551 -1.622 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -0.594 23.371 -1.158 1.00 7.64 H new ATOM 0 HD13 LEU A 143 0.651 22.362 -0.382 1.00 7.64 H new ATOM 0 HD21 LEU A 143 2.233 21.837 -2.965 1.00 6.92 H new ATOM 0 HD22 LEU A 143 1.830 20.583 -1.769 1.00 6.92 H new ATOM 0 HD23 LEU A 143 1.361 20.372 -3.473 1.00 6.92 H new ATOM 1544 N ASN A 144 -0.881 17.604 -2.431 1.00 7.08 N ATOM 1545 CA ASN A 144 -0.165 16.334 -2.488 1.00 8.03 C ATOM 1546 C ASN A 144 -1.126 15.190 -2.196 1.00 8.20 C ATOM 1547 O ASN A 144 -1.406 14.937 -1.006 1.00 8.61 O ATOM 1548 CB ASN A 144 1.008 16.322 -1.498 1.00 8.72 C ATOM 1549 CG ASN A 144 1.804 15.025 -1.533 1.00 9.25 C ATOM 1550 OD1 ASN A 144 1.862 14.332 -2.550 1.00 9.46 O ATOM 1551 ND2 ASN A 144 2.451 14.702 -0.422 1.00 9.73 N ATOM 1552 OXT ASN A 144 -1.629 14.585 -3.163 1.00 8.17 O ATOM 0 H ASN A 144 -1.611 17.640 -1.720 1.00 7.08 H new ATOM 0 HA ASN A 144 0.244 16.207 -3.490 1.00 8.03 H new ATOM 0 HB2 ASN A 144 1.673 17.156 -1.722 1.00 8.72 H new ATOM 0 HB3 ASN A 144 0.626 16.480 -0.489 1.00 8.72 H new ATOM 0 HD21 ASN A 144 3.020 13.856 -0.391 1.00 9.73 H new ATOM 0 HD22 ASN A 144 2.380 15.300 0.402 1.00 9.73 H new TER 1559 ASN A 144