USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 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 54 LYS NZ :NH3+ 171:sc= 1.16 (180deg=1.02) USER MOD Set 1.2: A 81 MET CE :methyl -150:sc= -0.716 (180deg=-1.01) USER MOD Set 2.1: A 37 ASN : amide:sc= 1.07 K(o=2.3,f=-0.22) USER MOD Set 2.2: A 74 SER OG : rot 86:sc= 1.24 USER MOD Set 3.1: A 68 ASN : amide:sc= -0.138 K(o=1.1,f=0.19) USER MOD Set 3.2: A 70 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.16) USER MOD Set 4.1: A 41 THR OG1 : rot 72:sc= 1.24 USER MOD Set 4.2: A 75 CYS SG : rot 108:sc= 3.22 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -119:sc= 0.73 (180deg=-0.19) USER MOD Set 5.2: A 14 TYR OH : rot -127:sc= 2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.15 (180deg=1.17) USER MOD Single : A 2 SER OG : rot 180:sc= 0.258 USER MOD Single : A 3 ASN : amide:sc= -0.053 K(o=-0.053,f=-4.9!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.25 K(o=1.3,f=-0.068) USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 1.2 (180deg=0.971) USER MOD Single : A 20 ASN : amide:sc=-0.00509 K(o=-0.0051,f=-0.86) USER MOD Single : A 21 ASN : amide:sc= 0.403 K(o=0.4,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot -67:sc= -0.825! USER MOD Single : A 28 TYR OH : rot -35:sc= 0.13 USER MOD Single : A 33 ASN : amide:sc= 1.08 K(o=1.1,f=-0.18) USER MOD Single : A 34 ASN : amide:sc= -0.0506 K(o=-0.051,f=-1.1!) USER MOD Single : A 40 HIS : no HD1:sc= -0.402 X(o=-0.4,f=0.082) USER MOD Single : A 44 SER OG : rot 60:sc= 0.889 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.308 F(o=-3!,f=-0.31) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -118:sc= 1.23 (180deg=-0.159) USER MOD Single : A 63 HIS : no HE2:sc= 0.914 K(o=0.91,f=-6.1!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= 1.22 (180deg=0.672) USER MOD Single : A 80 HIS : no HE2:sc= 0.436 K(o=0.44,f=-4.5!) USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 1.87 (180deg=1.85) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0826 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.259 K(o=0.26,f=-0.39) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.054) USER MOD Single : A 98 HIS : +bothHN:sc= -2.19! C(o=-2.2!,f=-8.4!) USER MOD Single : A 99 HIS : no HD1:sc= -0.99 X(o=-0.99,f=-0.67) USER MOD Single : A 100 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.014) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ACO O2B : rot -89:sc= 0.427 USER MOD Single : A 103 ACO OAP : rot 180:sc= -0.0345 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.733 -2.198 -0.872 1.00 6.95 N ATOM 2 CA MET A 1 22.057 -2.217 0.446 1.00 6.01 C ATOM 3 C MET A 1 22.709 -1.212 1.388 1.00 5.28 C ATOM 4 O MET A 1 23.906 -0.938 1.279 1.00 5.28 O ATOM 5 CB MET A 1 22.112 -3.625 1.053 1.00 5.80 C ATOM 6 CG MET A 1 23.524 -4.118 1.340 1.00 6.10 C ATOM 7 SD MET A 1 24.417 -4.600 -0.152 1.00 6.20 S ATOM 8 CE MET A 1 26.104 -4.627 0.453 1.00 6.73 C ATOM 0 H1 MET A 1 22.163 -2.728 -1.562 1.00 6.95 H new ATOM 0 H2 MET A 1 22.839 -1.215 -1.193 1.00 6.95 H new ATOM 0 H3 MET A 1 23.672 -2.638 -0.787 1.00 6.95 H new ATOM 0 HA MET A 1 21.013 -1.938 0.305 1.00 6.01 H new ATOM 0 HB2 MET A 1 21.539 -3.633 1.980 1.00 5.80 H new ATOM 0 HB3 MET A 1 21.625 -4.323 0.372 1.00 5.80 H new ATOM 0 HG2 MET A 1 24.080 -3.333 1.852 1.00 6.10 H new ATOM 0 HG3 MET A 1 23.475 -4.969 2.019 1.00 6.10 H new ATOM 0 HE1 MET A 1 26.777 -4.909 -0.357 1.00 6.73 H new ATOM 0 HE2 MET A 1 26.374 -3.637 0.821 1.00 6.73 H new ATOM 0 HE3 MET A 1 26.188 -5.351 1.263 1.00 6.73 H new ATOM 20 N SER A 2 21.923 -0.664 2.306 1.00 5.03 N ATOM 21 CA SER A 2 22.422 0.312 3.266 1.00 4.69 C ATOM 22 C SER A 2 21.585 0.284 4.546 1.00 3.60 C ATOM 23 O SER A 2 21.995 -0.287 5.562 1.00 3.51 O ATOM 24 CB SER A 2 22.389 1.712 2.645 1.00 5.46 C ATOM 25 OG SER A 2 21.161 1.929 1.964 1.00 6.47 O ATOM 0 H SER A 2 20.931 -0.881 2.406 1.00 5.03 H new ATOM 0 HA SER A 2 23.450 0.057 3.523 1.00 4.69 H new ATOM 0 HB2 SER A 2 22.517 2.464 3.424 1.00 5.46 H new ATOM 0 HB3 SER A 2 23.221 1.827 1.951 1.00 5.46 H new ATOM 0 HG SER A 2 21.157 2.829 1.575 1.00 6.47 H new ATOM 31 N ASN A 3 20.408 0.897 4.484 1.00 3.10 N ATOM 32 CA ASN A 3 19.495 0.952 5.618 1.00 2.27 C ATOM 33 C ASN A 3 18.060 0.961 5.116 1.00 2.15 C ATOM 34 O ASN A 3 17.748 1.616 4.122 1.00 2.83 O ATOM 35 CB ASN A 3 19.768 2.190 6.478 1.00 2.40 C ATOM 36 CG ASN A 3 19.305 2.018 7.914 1.00 2.63 C ATOM 37 OD1 ASN A 3 18.427 1.206 8.207 1.00 2.70 O ATOM 38 ND2 ASN A 3 19.889 2.782 8.822 1.00 3.35 N ATOM 0 H ASN A 3 20.061 1.368 3.648 1.00 3.10 H new ATOM 0 HA ASN A 3 19.653 0.070 6.239 1.00 2.27 H new ATOM 0 HB2 ASN A 3 20.836 2.406 6.468 1.00 2.40 H new ATOM 0 HB3 ASN A 3 19.265 3.051 6.039 1.00 2.40 H new ATOM 0 HD21 ASN A 3 19.615 2.709 9.802 1.00 3.35 H new ATOM 0 HD22 ASN A 3 20.613 3.444 8.542 1.00 3.35 H new ATOM 45 N LEU A 4 17.195 0.224 5.797 1.00 1.64 N ATOM 46 CA LEU A 4 15.795 0.135 5.412 1.00 1.54 C ATOM 47 C LEU A 4 15.016 1.358 5.882 1.00 1.65 C ATOM 48 O LEU A 4 14.208 1.280 6.812 1.00 2.49 O ATOM 49 CB LEU A 4 15.159 -1.139 5.976 1.00 1.47 C ATOM 50 CG LEU A 4 15.341 -2.398 5.125 1.00 1.63 C ATOM 51 CD1 LEU A 4 16.787 -2.863 5.135 1.00 2.06 C ATOM 52 CD2 LEU A 4 14.427 -3.503 5.623 1.00 2.10 C ATOM 0 H LEU A 4 17.440 -0.323 6.622 1.00 1.64 H new ATOM 0 HA LEU A 4 15.753 0.098 4.323 1.00 1.54 H new ATOM 0 HB2 LEU A 4 15.578 -1.326 6.965 1.00 1.47 H new ATOM 0 HB3 LEU A 4 14.092 -0.963 6.110 1.00 1.47 H new ATOM 0 HG LEU A 4 15.074 -2.154 4.097 1.00 1.63 H new ATOM 0 HD11 LEU A 4 16.885 -3.759 4.522 1.00 2.06 H new ATOM 0 HD12 LEU A 4 17.425 -2.076 4.733 1.00 2.06 H new ATOM 0 HD13 LEU A 4 17.090 -3.088 6.158 1.00 2.06 H new ATOM 0 HD21 LEU A 4 14.565 -4.394 5.010 1.00 2.10 H new ATOM 0 HD22 LEU A 4 14.669 -3.735 6.660 1.00 2.10 H new ATOM 0 HD23 LEU A 4 13.390 -3.175 5.557 1.00 2.10 H new ATOM 64 N GLU A 5 15.272 2.487 5.241 1.00 1.13 N ATOM 65 CA GLU A 5 14.600 3.731 5.576 1.00 1.19 C ATOM 66 C GLU A 5 13.365 3.903 4.706 1.00 1.05 C ATOM 67 O GLU A 5 13.371 3.523 3.536 1.00 1.01 O ATOM 68 CB GLU A 5 15.549 4.917 5.382 1.00 1.48 C ATOM 69 CG GLU A 5 16.849 4.788 6.158 1.00 1.61 C ATOM 70 CD GLU A 5 16.664 5.003 7.645 1.00 2.22 C ATOM 71 OE1 GLU A 5 15.838 4.294 8.260 1.00 2.91 O ATOM 72 OE2 GLU A 5 17.345 5.884 8.209 1.00 2.57 O ATOM 0 H GLU A 5 15.946 2.567 4.480 1.00 1.13 H new ATOM 0 HA GLU A 5 14.296 3.696 6.622 1.00 1.19 H new ATOM 0 HB2 GLU A 5 15.777 5.019 4.321 1.00 1.48 H new ATOM 0 HB3 GLU A 5 15.042 5.832 5.689 1.00 1.48 H new ATOM 0 HG2 GLU A 5 17.273 3.798 5.988 1.00 1.61 H new ATOM 0 HG3 GLU A 5 17.569 5.512 5.777 1.00 1.61 H new ATOM 79 N ILE A 6 12.308 4.461 5.277 1.00 1.00 N ATOM 80 CA ILE A 6 11.075 4.672 4.530 1.00 0.88 C ATOM 81 C ILE A 6 11.233 5.846 3.572 1.00 0.86 C ATOM 82 O ILE A 6 11.078 7.006 3.954 1.00 0.90 O ATOM 83 CB ILE A 6 9.868 4.918 5.463 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.689 3.735 6.415 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.596 5.140 4.650 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.568 3.922 7.414 1.00 0.92 C ATOM 0 H ILE A 6 12.278 4.774 6.247 1.00 1.00 H new ATOM 0 HA ILE A 6 10.879 3.761 3.964 1.00 0.88 H new ATOM 0 HB ILE A 6 10.061 5.816 6.049 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.496 2.836 5.830 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.621 3.570 6.955 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.758 5.311 5.325 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.724 6.008 4.003 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.396 4.259 4.040 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.501 3.043 8.055 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.768 4.802 8.025 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.626 4.056 6.883 1.00 0.92 H new ATOM 98 N LYS A 7 11.577 5.535 2.337 1.00 0.86 N ATOM 99 CA LYS A 7 11.766 6.549 1.317 1.00 0.89 C ATOM 100 C LYS A 7 10.442 6.866 0.639 1.00 0.79 C ATOM 101 O LYS A 7 9.716 5.963 0.232 1.00 0.74 O ATOM 102 CB LYS A 7 12.784 6.073 0.277 1.00 0.99 C ATOM 103 CG LYS A 7 14.229 6.336 0.665 1.00 1.10 C ATOM 104 CD LYS A 7 14.596 7.809 0.534 1.00 1.61 C ATOM 105 CE LYS A 7 14.519 8.289 -0.907 1.00 1.77 C ATOM 106 NZ LYS A 7 15.483 7.575 -1.786 1.00 2.23 N ATOM 0 H LYS A 7 11.732 4.580 2.014 1.00 0.86 H new ATOM 0 HA LYS A 7 12.145 7.453 1.793 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.650 5.003 0.115 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.577 6.567 -0.672 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.393 6.011 1.692 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.888 5.741 0.033 1.00 1.10 H new ATOM 0 HD2 LYS A 7 13.925 8.406 1.151 1.00 1.61 H new ATOM 0 HD3 LYS A 7 15.605 7.967 0.915 1.00 1.61 H new ATOM 0 HE2 LYS A 7 13.507 8.142 -1.284 1.00 1.77 H new ATOM 0 HE3 LYS A 7 14.720 9.360 -0.943 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 16.151 8.259 -2.196 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 16.007 6.872 -1.227 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 14.966 7.095 -2.550 1.00 2.23 H new ATOM 120 N GLN A 8 10.121 8.140 0.534 1.00 0.81 N ATOM 121 CA GLN A 8 8.887 8.540 -0.111 1.00 0.78 C ATOM 122 C GLN A 8 9.183 9.191 -1.453 1.00 0.90 C ATOM 123 O GLN A 8 10.200 9.871 -1.623 1.00 1.15 O ATOM 124 CB GLN A 8 8.073 9.482 0.780 1.00 0.93 C ATOM 125 CG GLN A 8 8.779 10.783 1.125 1.00 1.29 C ATOM 126 CD GLN A 8 7.873 11.748 1.859 1.00 1.76 C ATOM 127 OE1 GLN A 8 7.801 11.741 3.087 1.00 2.52 O ATOM 128 NE2 GLN A 8 7.177 12.590 1.111 1.00 1.94 N ATOM 0 H GLN A 8 10.692 8.910 0.884 1.00 0.81 H new ATOM 0 HA GLN A 8 8.287 7.646 -0.280 1.00 0.78 H new ATOM 0 HB2 GLN A 8 7.133 9.714 0.280 1.00 0.93 H new ATOM 0 HB3 GLN A 8 7.822 8.962 1.705 1.00 0.93 H new ATOM 0 HG2 GLN A 8 9.653 10.568 1.740 1.00 1.29 H new ATOM 0 HG3 GLN A 8 9.141 11.252 0.210 1.00 1.29 H new ATOM 0 HE21 GLN A 8 7.266 12.563 0.095 1.00 1.94 H new ATOM 0 HE22 GLN A 8 6.552 13.266 1.551 1.00 1.94 H new ATOM 137 N GLY A 9 8.305 8.955 -2.404 1.00 0.87 N ATOM 138 CA GLY A 9 8.463 9.515 -3.724 1.00 1.04 C ATOM 139 C GLY A 9 7.199 10.197 -4.182 1.00 0.71 C ATOM 140 O GLY A 9 6.388 10.611 -3.353 1.00 0.83 O ATOM 0 H GLY A 9 7.473 8.377 -2.285 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.285 10.231 -3.722 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.729 8.726 -4.427 1.00 1.04 H new ATOM 144 N GLU A 10 7.022 10.293 -5.492 1.00 1.04 N ATOM 145 CA GLU A 10 5.846 10.929 -6.071 1.00 0.82 C ATOM 146 C GLU A 10 4.584 10.156 -5.692 1.00 0.70 C ATOM 147 O GLU A 10 4.176 9.233 -6.404 1.00 0.72 O ATOM 148 CB GLU A 10 5.998 11.002 -7.592 1.00 0.79 C ATOM 149 CG GLU A 10 5.242 12.154 -8.235 1.00 1.82 C ATOM 150 CD GLU A 10 3.778 11.845 -8.451 1.00 2.48 C ATOM 151 OE1 GLU A 10 3.459 11.058 -9.364 1.00 2.65 O ATOM 152 OE2 GLU A 10 2.937 12.391 -7.704 1.00 3.19 O ATOM 0 H GLU A 10 7.684 9.935 -6.180 1.00 1.04 H new ATOM 0 HA GLU A 10 5.755 11.941 -5.677 1.00 0.82 H new ATOM 0 HB2 GLU A 10 7.056 11.094 -7.837 1.00 0.79 H new ATOM 0 HB3 GLU A 10 5.650 10.065 -8.027 1.00 0.79 H new ATOM 0 HG2 GLU A 10 5.333 13.039 -7.605 1.00 1.82 H new ATOM 0 HG3 GLU A 10 5.703 12.396 -9.193 1.00 1.82 H new ATOM 159 N ASN A 11 3.986 10.545 -4.565 1.00 0.63 N ATOM 160 CA ASN A 11 2.785 9.896 -4.034 1.00 0.59 C ATOM 161 C ASN A 11 3.021 8.394 -3.904 1.00 0.47 C ATOM 162 O ASN A 11 2.158 7.579 -4.241 1.00 0.44 O ATOM 163 CB ASN A 11 1.559 10.171 -4.916 1.00 0.71 C ATOM 164 CG ASN A 11 0.953 11.544 -4.683 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.154 11.739 -3.767 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.315 12.504 -5.520 1.00 1.38 N ATOM 0 H ASN A 11 4.321 11.320 -3.993 1.00 0.63 H new ATOM 0 HA ASN A 11 2.581 10.315 -3.049 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.845 10.080 -5.964 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.803 9.410 -4.724 1.00 0.71 H new ATOM 0 HD21 ASN A 11 0.929 13.443 -5.417 1.00 1.38 H new ATOM 0 HD22 ASN A 11 1.980 12.305 -6.267 1.00 1.38 H new ATOM 173 N LYS A 12 4.203 8.033 -3.416 1.00 0.45 N ATOM 174 CA LYS A 12 4.563 6.633 -3.255 1.00 0.43 C ATOM 175 C LYS A 12 5.529 6.440 -2.094 1.00 0.46 C ATOM 176 O LYS A 12 6.139 7.395 -1.615 1.00 0.55 O ATOM 177 CB LYS A 12 5.214 6.111 -4.537 1.00 0.50 C ATOM 178 CG LYS A 12 6.682 6.487 -4.679 1.00 0.65 C ATOM 179 CD LYS A 12 7.297 5.913 -5.945 1.00 0.59 C ATOM 180 CE LYS A 12 8.815 5.931 -5.870 1.00 0.73 C ATOM 181 NZ LYS A 12 9.448 5.711 -7.193 1.00 0.94 N ATOM 0 H LYS A 12 4.926 8.691 -3.126 1.00 0.45 H new ATOM 0 HA LYS A 12 3.649 6.077 -3.046 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.123 5.025 -4.563 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.665 6.498 -5.395 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.779 7.573 -4.689 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.234 6.126 -3.812 1.00 0.65 H new ATOM 0 HD2 LYS A 12 6.949 4.891 -6.091 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.965 6.490 -6.808 1.00 0.59 H new ATOM 0 HE2 LYS A 12 9.145 6.888 -5.467 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.151 5.160 -5.176 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.425 5.381 -7.060 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.909 4.995 -7.721 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 9.454 6.603 -7.728 1.00 0.94 H new ATOM 195 N PHE A 13 5.660 5.198 -1.661 1.00 0.46 N ATOM 196 CA PHE A 13 6.573 4.832 -0.590 1.00 0.50 C ATOM 197 C PHE A 13 7.378 3.629 -1.051 1.00 0.50 C ATOM 198 O PHE A 13 6.822 2.712 -1.655 1.00 0.46 O ATOM 199 CB PHE A 13 5.814 4.493 0.698 1.00 0.51 C ATOM 200 CG PHE A 13 5.341 5.689 1.473 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.237 6.475 2.181 1.00 0.63 C ATOM 202 CD2 PHE A 13 3.998 6.021 1.503 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.799 7.571 2.903 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.554 7.112 2.224 1.00 0.59 C ATOM 205 CZ PHE A 13 4.455 7.889 2.925 1.00 0.65 C ATOM 0 H PHE A 13 5.135 4.412 -2.043 1.00 0.46 H new ATOM 0 HA PHE A 13 7.229 5.674 -0.369 1.00 0.50 H new ATOM 0 HB2 PHE A 13 4.952 3.875 0.445 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.460 3.893 1.339 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.289 6.229 2.169 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.288 5.419 0.955 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.507 8.177 3.449 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.502 7.357 2.240 1.00 0.59 H new ATOM 0 HZ PHE A 13 4.110 8.743 3.489 1.00 0.65 H new ATOM 215 N TYR A 14 8.672 3.623 -0.793 1.00 0.60 N ATOM 216 CA TYR A 14 9.508 2.514 -1.222 1.00 0.64 C ATOM 217 C TYR A 14 10.769 2.396 -0.379 1.00 0.69 C ATOM 218 O TYR A 14 11.217 3.361 0.239 1.00 0.75 O ATOM 219 CB TYR A 14 9.887 2.677 -2.703 1.00 0.67 C ATOM 220 CG TYR A 14 10.854 3.811 -2.975 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.486 5.133 -2.751 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.133 3.560 -3.453 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.364 6.168 -2.999 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.016 4.590 -3.704 1.00 1.04 C ATOM 225 CZ TYR A 14 12.629 5.889 -3.475 1.00 1.03 C ATOM 226 OH TYR A 14 13.505 6.919 -3.720 1.00 1.16 O ATOM 0 H TYR A 14 9.165 4.364 -0.294 1.00 0.60 H new ATOM 0 HA TYR A 14 8.930 1.599 -1.090 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.328 1.746 -3.058 1.00 0.67 H new ATOM 0 HB3 TYR A 14 8.979 2.842 -3.283 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.497 5.353 -2.377 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.442 2.541 -3.631 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.063 7.190 -2.822 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.006 4.377 -4.079 1.00 1.04 H new ATOM 0 HH TYR A 14 13.854 6.841 -4.632 1.00 1.16 H new ATOM 236 N ILE A 15 11.320 1.196 -0.357 1.00 0.71 N ATOM 237 CA ILE A 15 12.544 0.911 0.374 1.00 0.78 C ATOM 238 C ILE A 15 13.451 0.054 -0.498 1.00 0.92 C ATOM 239 O ILE A 15 13.034 -0.999 -0.986 1.00 0.92 O ATOM 240 CB ILE A 15 12.273 0.169 1.706 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.423 1.038 2.638 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.582 -0.215 2.382 1.00 0.80 C ATOM 243 CD1 ILE A 15 11.076 0.369 3.950 1.00 0.71 C ATOM 0 H ILE A 15 10.932 0.389 -0.846 1.00 0.71 H new ATOM 0 HA ILE A 15 13.018 1.862 0.616 1.00 0.78 H new ATOM 0 HB ILE A 15 11.721 -0.745 1.485 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.959 1.965 2.844 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.501 1.310 2.125 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.370 -0.735 3.316 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.153 -0.869 1.724 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.161 0.684 2.591 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.473 1.046 4.555 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.512 -0.543 3.755 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.992 0.122 4.486 1.00 0.71 H new ATOM 255 N GLY A 16 14.675 0.510 -0.712 1.00 1.09 N ATOM 256 CA GLY A 16 15.601 -0.239 -1.531 1.00 1.26 C ATOM 257 C GLY A 16 16.959 0.416 -1.613 1.00 1.42 C ATOM 258 O GLY A 16 17.153 1.530 -1.122 1.00 1.52 O ATOM 0 H GLY A 16 15.042 1.383 -0.334 1.00 1.09 H new ATOM 0 HA2 GLY A 16 15.710 -1.244 -1.124 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.190 -0.344 -2.535 1.00 1.26 H new ATOM 262 N ASP A 17 17.894 -0.281 -2.243 1.00 1.55 N ATOM 263 CA ASP A 17 19.259 0.208 -2.409 1.00 1.74 C ATOM 264 C ASP A 17 19.297 1.398 -3.360 1.00 1.66 C ATOM 265 O ASP A 17 20.096 2.325 -3.196 1.00 1.78 O ATOM 266 CB ASP A 17 20.142 -0.921 -2.948 1.00 1.95 C ATOM 267 CG ASP A 17 21.498 -0.441 -3.426 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.372 -0.159 -2.575 1.00 2.62 O ATOM 269 OD2 ASP A 17 21.686 -0.318 -4.653 1.00 2.14 O ATOM 0 H ASP A 17 17.730 -1.200 -2.654 1.00 1.55 H new ATOM 0 HA ASP A 17 19.634 0.536 -1.439 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.283 -1.668 -2.167 1.00 1.95 H new ATOM 0 HB3 ASP A 17 19.627 -1.415 -3.772 1.00 1.95 H new ATOM 274 N ASP A 18 18.413 1.373 -4.342 1.00 1.53 N ATOM 275 CA ASP A 18 18.331 2.426 -5.341 1.00 1.48 C ATOM 276 C ASP A 18 16.890 2.556 -5.814 1.00 1.37 C ATOM 277 O ASP A 18 16.059 1.717 -5.472 1.00 1.29 O ATOM 278 CB ASP A 18 19.261 2.088 -6.515 1.00 1.53 C ATOM 279 CG ASP A 18 19.264 3.144 -7.600 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.869 4.212 -7.389 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.661 2.898 -8.667 1.00 1.41 O ATOM 0 H ASP A 18 17.733 0.624 -4.470 1.00 1.53 H new ATOM 0 HA ASP A 18 18.646 3.377 -4.911 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.276 1.960 -6.140 1.00 1.53 H new ATOM 0 HB3 ASP A 18 18.958 1.134 -6.947 1.00 1.53 H new ATOM 286 N GLU A 19 16.595 3.598 -6.584 1.00 1.41 N ATOM 287 CA GLU A 19 15.251 3.815 -7.100 1.00 1.38 C ATOM 288 C GLU A 19 14.804 2.614 -7.932 1.00 1.34 C ATOM 289 O GLU A 19 13.658 2.169 -7.838 1.00 1.34 O ATOM 290 CB GLU A 19 15.209 5.089 -7.945 1.00 1.49 C ATOM 291 CG GLU A 19 13.802 5.584 -8.222 1.00 1.76 C ATOM 292 CD GLU A 19 13.136 6.165 -6.996 1.00 2.08 C ATOM 293 OE1 GLU A 19 13.711 7.092 -6.392 1.00 2.72 O ATOM 294 OE2 GLU A 19 12.032 5.698 -6.628 1.00 2.43 O ATOM 0 H GLU A 19 17.272 4.307 -6.865 1.00 1.41 H new ATOM 0 HA GLU A 19 14.568 3.931 -6.259 1.00 1.38 H new ATOM 0 HB2 GLU A 19 15.768 5.873 -7.434 1.00 1.49 H new ATOM 0 HB3 GLU A 19 15.714 4.904 -8.893 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.835 6.341 -9.005 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.199 4.759 -8.601 1.00 1.76 H new ATOM 301 N ASN A 20 15.722 2.081 -8.734 1.00 1.37 N ATOM 302 CA ASN A 20 15.416 0.924 -9.566 1.00 1.39 C ATOM 303 C ASN A 20 15.605 -0.363 -8.770 1.00 1.40 C ATOM 304 O ASN A 20 15.054 -1.410 -9.112 1.00 1.52 O ATOM 305 CB ASN A 20 16.295 0.897 -10.817 1.00 1.48 C ATOM 306 CG ASN A 20 15.793 -0.099 -11.849 1.00 2.08 C ATOM 307 OD1 ASN A 20 14.584 -0.287 -12.014 1.00 2.92 O ATOM 308 ND2 ASN A 20 16.710 -0.753 -12.544 1.00 2.15 N ATOM 0 H ASN A 20 16.676 2.429 -8.824 1.00 1.37 H new ATOM 0 HA ASN A 20 14.375 1.002 -9.881 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.325 1.893 -11.260 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.317 0.642 -10.536 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.427 -1.439 -13.244 1.00 2.15 H new ATOM 0 HD22 ASN A 20 17.700 -0.571 -12.380 1.00 2.15 H new ATOM 315 N ASN A 21 16.366 -0.265 -7.687 1.00 1.36 N ATOM 316 CA ASN A 21 16.634 -1.412 -6.825 1.00 1.38 C ATOM 317 C ASN A 21 15.673 -1.411 -5.648 1.00 1.25 C ATOM 318 O ASN A 21 16.066 -1.667 -4.507 1.00 1.23 O ATOM 319 CB ASN A 21 18.072 -1.391 -6.299 1.00 1.54 C ATOM 320 CG ASN A 21 19.094 -1.789 -7.343 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.757 -2.391 -8.362 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.354 -1.472 -7.090 1.00 2.45 N ATOM 0 H ASN A 21 16.811 0.601 -7.383 1.00 1.36 H new ATOM 0 HA ASN A 21 16.495 -2.315 -7.420 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.304 -0.390 -5.935 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.150 -2.066 -5.447 1.00 1.54 H new ATOM 0 HD21 ASN A 21 21.087 -1.727 -7.752 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.592 -0.972 -6.233 1.00 2.45 H new ATOM 329 N ALA A 22 14.420 -1.089 -5.929 1.00 1.19 N ATOM 330 CA ALA A 22 13.390 -1.050 -4.906 1.00 1.09 C ATOM 331 C ALA A 22 13.003 -2.461 -4.483 1.00 1.06 C ATOM 332 O ALA A 22 12.416 -3.218 -5.262 1.00 1.14 O ATOM 333 CB ALA A 22 12.172 -0.288 -5.408 1.00 1.04 C ATOM 0 H ALA A 22 14.092 -0.849 -6.864 1.00 1.19 H new ATOM 0 HA ALA A 22 13.787 -0.529 -4.035 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.409 -0.268 -4.630 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.460 0.733 -5.660 1.00 1.04 H new ATOM 0 HB3 ALA A 22 11.773 -0.782 -6.294 1.00 1.04 H new ATOM 339 N LEU A 23 13.349 -2.811 -3.251 1.00 0.99 N ATOM 340 CA LEU A 23 13.037 -4.125 -2.706 1.00 0.99 C ATOM 341 C LEU A 23 11.552 -4.200 -2.394 1.00 0.87 C ATOM 342 O LEU A 23 10.926 -5.256 -2.498 1.00 0.95 O ATOM 343 CB LEU A 23 13.860 -4.377 -1.444 1.00 1.05 C ATOM 344 CG LEU A 23 15.374 -4.300 -1.644 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.084 -4.136 -0.312 1.00 1.39 C ATOM 346 CD2 LEU A 23 15.879 -5.536 -2.371 1.00 1.37 C ATOM 0 H LEU A 23 13.849 -2.198 -2.607 1.00 0.99 H new ATOM 0 HA LEU A 23 13.287 -4.892 -3.439 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.570 -3.650 -0.686 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.608 -5.363 -1.053 1.00 1.05 H new ATOM 0 HG LEU A 23 15.594 -3.426 -2.257 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.160 -4.083 -0.477 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.746 -3.219 0.170 1.00 1.39 H new ATOM 0 HD13 LEU A 23 15.857 -4.988 0.329 1.00 1.39 H new ATOM 0 HD21 LEU A 23 16.958 -5.464 -2.505 1.00 1.37 H new ATOM 0 HD22 LEU A 23 15.644 -6.424 -1.785 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.397 -5.607 -3.346 1.00 1.37 H new ATOM 358 N ALA A 24 11.002 -3.060 -2.009 1.00 0.77 N ATOM 359 CA ALA A 24 9.591 -2.942 -1.695 1.00 0.66 C ATOM 360 C ALA A 24 9.093 -1.576 -2.138 1.00 0.60 C ATOM 361 O ALA A 24 9.713 -0.560 -1.826 1.00 0.67 O ATOM 362 CB ALA A 24 9.349 -3.157 -0.205 1.00 0.71 C ATOM 0 H ALA A 24 11.524 -2.190 -1.906 1.00 0.77 H new ATOM 0 HA ALA A 24 9.036 -3.713 -2.230 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.284 -3.064 0.008 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.690 -4.152 0.079 1.00 0.71 H new ATOM 0 HB3 ALA A 24 9.900 -2.408 0.365 1.00 0.71 H new ATOM 368 N GLU A 25 7.998 -1.547 -2.876 1.00 0.54 N ATOM 369 CA GLU A 25 7.452 -0.292 -3.360 1.00 0.52 C ATOM 370 C GLU A 25 5.932 -0.333 -3.388 1.00 0.43 C ATOM 371 O GLU A 25 5.332 -1.288 -3.887 1.00 0.45 O ATOM 372 CB GLU A 25 7.993 0.022 -4.757 1.00 0.65 C ATOM 373 CG GLU A 25 7.570 1.386 -5.276 1.00 0.84 C ATOM 374 CD GLU A 25 6.716 1.300 -6.522 1.00 0.87 C ATOM 375 OE1 GLU A 25 7.286 1.175 -7.625 1.00 1.33 O ATOM 376 OE2 GLU A 25 5.476 1.364 -6.406 1.00 1.02 O ATOM 0 H GLU A 25 7.471 -2.375 -3.153 1.00 0.54 H new ATOM 0 HA GLU A 25 7.762 0.496 -2.674 1.00 0.52 H new ATOM 0 HB2 GLU A 25 9.082 -0.029 -4.737 1.00 0.65 H new ATOM 0 HB3 GLU A 25 7.651 -0.745 -5.452 1.00 0.65 H new ATOM 0 HG2 GLU A 25 7.016 1.910 -4.497 1.00 0.84 H new ATOM 0 HG3 GLU A 25 8.459 1.980 -5.490 1.00 0.84 H new ATOM 383 N ILE A 26 5.322 0.698 -2.832 1.00 0.40 N ATOM 384 CA ILE A 26 3.881 0.815 -2.805 1.00 0.33 C ATOM 385 C ILE A 26 3.475 2.182 -3.356 1.00 0.33 C ATOM 386 O ILE A 26 3.884 3.228 -2.840 1.00 0.38 O ATOM 387 CB ILE A 26 3.311 0.598 -1.379 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.796 0.814 -1.362 1.00 0.30 C ATOM 389 CG2 ILE A 26 3.996 1.511 -0.370 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.147 0.469 -0.039 1.00 0.34 C ATOM 0 H ILE A 26 5.813 1.474 -2.388 1.00 0.40 H new ATOM 0 HA ILE A 26 3.458 0.031 -3.434 1.00 0.33 H new ATOM 0 HB ILE A 26 3.513 -0.434 -1.091 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.584 1.856 -1.600 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.343 0.209 -2.148 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.577 1.337 0.621 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.065 1.298 -0.354 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.837 2.551 -0.654 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.074 0.647 -0.103 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.327 -0.581 0.192 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.572 1.092 0.748 1.00 0.34 H new ATOM 402 N THR A 27 2.707 2.168 -4.429 1.00 0.33 N ATOM 403 CA THR A 27 2.261 3.393 -5.064 1.00 0.35 C ATOM 404 C THR A 27 0.760 3.588 -4.897 1.00 0.37 C ATOM 405 O THR A 27 -0.009 2.622 -4.901 1.00 0.41 O ATOM 406 CB THR A 27 2.609 3.391 -6.561 1.00 0.40 C ATOM 407 OG1 THR A 27 2.998 2.073 -6.967 1.00 0.60 O ATOM 408 CG2 THR A 27 3.726 4.367 -6.879 1.00 0.51 C ATOM 0 H THR A 27 2.377 1.315 -4.881 1.00 0.33 H new ATOM 0 HA THR A 27 2.780 4.217 -4.574 1.00 0.35 H new ATOM 0 HB THR A 27 1.720 3.704 -7.108 1.00 0.40 H new ATOM 0 HG1 THR A 27 3.847 1.836 -6.538 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.943 4.336 -7.947 1.00 0.51 H new ATOM 0 HG22 THR A 27 3.419 5.375 -6.600 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.620 4.092 -6.319 1.00 0.51 H new ATOM 416 N TYR A 28 0.355 4.839 -4.752 1.00 0.39 N ATOM 417 CA TYR A 28 -1.048 5.181 -4.583 1.00 0.45 C ATOM 418 C TYR A 28 -1.350 6.489 -5.297 1.00 0.48 C ATOM 419 O TYR A 28 -0.446 7.123 -5.843 1.00 0.68 O ATOM 420 CB TYR A 28 -1.414 5.283 -3.094 1.00 0.48 C ATOM 421 CG TYR A 28 -0.579 6.264 -2.297 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.624 5.875 -1.718 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.985 7.583 -2.142 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.396 6.774 -1.005 1.00 0.60 C ATOM 425 CE2 TYR A 28 -0.216 8.487 -1.435 1.00 0.66 C ATOM 426 CZ TYR A 28 0.941 8.050 -0.800 1.00 0.65 C ATOM 427 OH TYR A 28 1.742 8.981 -0.167 1.00 0.76 O ATOM 0 H TYR A 28 0.985 5.641 -4.748 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.654 4.388 -5.022 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.462 5.570 -3.011 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.317 4.296 -2.643 1.00 0.48 H new ATOM 0 HD1 TYR A 28 0.961 4.855 -1.827 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -1.917 7.907 -2.581 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.355 6.471 -0.611 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.511 9.524 -1.376 1.00 0.66 H new ATOM 0 HH TYR A 28 2.278 8.537 0.523 1.00 0.76 H new ATOM 437 N ARG A 29 -2.613 6.887 -5.303 1.00 0.42 N ATOM 438 CA ARG A 29 -3.016 8.122 -5.954 1.00 0.48 C ATOM 439 C ARG A 29 -4.363 8.594 -5.436 1.00 0.48 C ATOM 440 O ARG A 29 -5.192 7.788 -5.010 1.00 0.49 O ATOM 441 CB ARG A 29 -3.098 7.919 -7.467 1.00 0.56 C ATOM 442 CG ARG A 29 -2.783 9.169 -8.271 1.00 0.93 C ATOM 443 CD ARG A 29 -1.554 8.966 -9.135 1.00 1.22 C ATOM 444 NE ARG A 29 -0.402 8.511 -8.354 1.00 1.83 N ATOM 445 CZ ARG A 29 0.781 9.117 -8.346 1.00 2.81 C ATOM 446 NH1 ARG A 29 0.972 10.228 -9.045 1.00 3.23 N ATOM 447 NH2 ARG A 29 1.776 8.612 -7.628 1.00 3.63 N ATOM 0 H ARG A 29 -3.376 6.372 -4.864 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.267 8.881 -5.728 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.406 7.128 -7.756 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.100 7.576 -7.724 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.635 9.425 -8.900 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -2.622 10.009 -7.595 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.775 8.236 -9.914 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.305 9.901 -9.636 1.00 1.22 H new ATOM 0 HE ARG A 29 -0.515 7.676 -7.779 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.208 10.623 -9.594 1.00 3.23 H new ATOM 0 HH12 ARG A 29 1.883 10.687 -9.034 1.00 3.23 H new ATOM 0 HH21 ARG A 29 1.632 7.761 -7.084 1.00 3.63 H new ATOM 0 HH22 ARG A 29 2.685 9.075 -7.620 1.00 3.63 H new ATOM 461 N PHE A 30 -4.569 9.899 -5.476 1.00 0.56 N ATOM 462 CA PHE A 30 -5.821 10.488 -5.034 1.00 0.60 C ATOM 463 C PHE A 30 -6.829 10.399 -6.172 1.00 0.68 C ATOM 464 O PHE A 30 -6.740 11.140 -7.147 1.00 0.83 O ATOM 465 CB PHE A 30 -5.617 11.947 -4.614 1.00 0.66 C ATOM 466 CG PHE A 30 -4.867 12.107 -3.322 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.491 11.959 -3.284 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.539 12.402 -2.149 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.798 12.105 -2.098 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.852 12.550 -0.960 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.485 12.407 -0.932 1.00 0.82 C ATOM 0 H PHE A 30 -3.882 10.574 -5.812 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.193 9.943 -4.166 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.078 12.471 -5.403 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.591 12.428 -4.520 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.954 11.727 -4.192 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.613 12.518 -2.163 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.725 11.984 -2.079 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.389 12.778 -0.051 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.947 12.530 -0.004 1.00 0.82 H new ATOM 481 N VAL A 31 -7.766 9.473 -6.058 1.00 0.62 N ATOM 482 CA VAL A 31 -8.762 9.269 -7.105 1.00 0.70 C ATOM 483 C VAL A 31 -9.948 10.214 -6.975 1.00 0.73 C ATOM 484 O VAL A 31 -10.719 10.381 -7.922 1.00 0.83 O ATOM 485 CB VAL A 31 -9.268 7.816 -7.119 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.161 6.877 -7.565 1.00 0.84 C ATOM 487 CG2 VAL A 31 -9.791 7.411 -5.750 1.00 0.67 C ATOM 0 H VAL A 31 -7.861 8.851 -5.255 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.257 9.487 -8.046 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.092 7.747 -7.830 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -8.533 5.852 -7.570 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -7.835 7.150 -8.569 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.319 6.954 -6.877 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.143 6.380 -5.785 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -8.991 7.496 -5.015 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.615 8.066 -5.467 1.00 0.67 H new ATOM 497 N ASP A 32 -10.109 10.819 -5.810 1.00 0.72 N ATOM 498 CA ASP A 32 -11.211 11.747 -5.597 1.00 0.84 C ATOM 499 C ASP A 32 -10.753 12.957 -4.791 1.00 0.97 C ATOM 500 O ASP A 32 -10.286 13.942 -5.361 1.00 1.74 O ATOM 501 CB ASP A 32 -12.392 11.052 -4.912 1.00 0.84 C ATOM 502 CG ASP A 32 -13.651 11.899 -4.938 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.774 12.805 -4.089 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.517 11.674 -5.808 1.00 1.16 O ATOM 0 H ASP A 32 -9.498 10.688 -5.004 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.548 12.096 -6.573 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.587 10.100 -5.406 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.129 10.827 -3.878 1.00 0.84 H new ATOM 509 N ASN A 33 -10.860 12.887 -3.469 1.00 0.89 N ATOM 510 CA ASN A 33 -10.457 14.002 -2.622 1.00 0.95 C ATOM 511 C ASN A 33 -9.513 13.543 -1.521 1.00 0.84 C ATOM 512 O ASN A 33 -8.366 13.988 -1.453 1.00 1.07 O ATOM 513 CB ASN A 33 -11.686 14.683 -2.010 1.00 1.09 C ATOM 514 CG ASN A 33 -12.262 15.767 -2.904 1.00 1.82 C ATOM 515 OD1 ASN A 33 -11.923 16.944 -2.776 1.00 2.09 O ATOM 516 ND2 ASN A 33 -13.142 15.382 -3.813 1.00 2.72 N ATOM 0 H ASN A 33 -11.219 12.077 -2.964 1.00 0.89 H new ATOM 0 HA ASN A 33 -9.928 14.721 -3.248 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -12.453 13.933 -1.816 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.414 15.118 -1.048 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -13.564 16.069 -4.437 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -13.399 14.398 -3.890 1.00 2.72 H new ATOM 523 N ASN A 34 -9.995 12.645 -0.670 1.00 0.73 N ATOM 524 CA ASN A 34 -9.195 12.124 0.436 1.00 0.86 C ATOM 525 C ASN A 34 -8.954 10.634 0.264 1.00 0.88 C ATOM 526 O ASN A 34 -8.262 10.006 1.064 1.00 1.22 O ATOM 527 CB ASN A 34 -9.899 12.379 1.776 1.00 1.01 C ATOM 528 CG ASN A 34 -9.681 13.785 2.296 1.00 1.35 C ATOM 529 OD1 ASN A 34 -8.619 14.370 2.103 1.00 1.84 O ATOM 530 ND2 ASN A 34 -10.684 14.337 2.961 1.00 1.83 N ATOM 0 H ASN A 34 -10.938 12.261 -0.724 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.236 12.642 0.433 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -10.968 12.202 1.659 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -9.536 11.663 2.514 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -10.590 15.282 3.334 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -11.551 13.818 3.100 1.00 1.83 H new ATOM 537 N GLU A 35 -9.550 10.075 -0.773 1.00 0.64 N ATOM 538 CA GLU A 35 -9.426 8.660 -1.069 1.00 0.62 C ATOM 539 C GLU A 35 -8.160 8.374 -1.872 1.00 0.57 C ATOM 540 O GLU A 35 -7.969 8.909 -2.969 1.00 0.59 O ATOM 541 CB GLU A 35 -10.655 8.172 -1.844 1.00 0.68 C ATOM 542 CG GLU A 35 -11.977 8.436 -1.133 1.00 1.01 C ATOM 543 CD GLU A 35 -12.651 9.719 -1.586 1.00 1.41 C ATOM 544 OE1 GLU A 35 -11.959 10.759 -1.666 1.00 2.25 O ATOM 545 OE2 GLU A 35 -13.868 9.692 -1.880 1.00 1.47 O ATOM 0 H GLU A 35 -10.133 10.589 -1.433 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.360 8.123 -0.123 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.674 8.659 -2.819 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.558 7.101 -2.024 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.651 7.597 -1.308 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.801 8.485 -0.058 1.00 1.01 H new ATOM 552 N ILE A 36 -7.299 7.538 -1.311 1.00 0.52 N ATOM 553 CA ILE A 36 -6.060 7.152 -1.966 1.00 0.48 C ATOM 554 C ILE A 36 -6.140 5.695 -2.408 1.00 0.46 C ATOM 555 O ILE A 36 -6.292 4.788 -1.587 1.00 0.53 O ATOM 556 CB ILE A 36 -4.826 7.365 -1.056 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.123 6.945 0.390 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.387 8.819 -1.108 1.00 0.51 C ATOM 559 CD1 ILE A 36 -3.953 7.134 1.338 1.00 0.51 C ATOM 0 H ILE A 36 -7.439 7.111 -0.395 1.00 0.52 H new ATOM 0 HA ILE A 36 -5.935 7.795 -2.837 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.016 6.736 -1.425 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -5.973 7.520 0.758 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.420 5.896 0.400 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.518 8.960 -0.465 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.127 9.084 -2.133 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.201 9.457 -0.764 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.241 6.815 2.340 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.108 6.537 0.996 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.669 8.186 1.360 1.00 0.51 H new ATOM 571 N ASN A 37 -6.051 5.483 -3.712 1.00 0.44 N ATOM 572 CA ASN A 37 -6.137 4.145 -4.282 1.00 0.46 C ATOM 573 C ASN A 37 -4.760 3.530 -4.476 1.00 0.42 C ATOM 574 O ASN A 37 -3.899 4.105 -5.142 1.00 0.50 O ATOM 575 CB ASN A 37 -6.874 4.191 -5.624 1.00 0.54 C ATOM 576 CG ASN A 37 -6.866 2.857 -6.356 1.00 0.86 C ATOM 577 OD1 ASN A 37 -6.984 1.791 -5.748 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.724 2.908 -7.673 1.00 0.98 N ATOM 0 H ASN A 37 -5.918 6.224 -4.400 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.691 3.522 -3.580 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.906 4.499 -5.455 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.415 4.949 -6.258 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -6.710 2.046 -8.218 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -6.629 3.809 -8.141 1.00 0.98 H new ATOM 585 N ILE A 38 -4.559 2.373 -3.867 1.00 0.36 N ATOM 586 CA ILE A 38 -3.313 1.637 -3.993 1.00 0.33 C ATOM 587 C ILE A 38 -3.510 0.514 -5.002 1.00 0.41 C ATOM 588 O ILE A 38 -4.250 -0.443 -4.743 1.00 0.53 O ATOM 589 CB ILE A 38 -2.852 1.041 -2.643 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.589 2.152 -1.625 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.599 0.198 -2.835 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.647 1.683 -0.188 1.00 0.69 C ATOM 0 H ILE A 38 -5.253 1.919 -3.273 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.540 2.329 -4.327 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.649 0.403 -2.261 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.607 2.585 -1.818 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.322 2.946 -1.769 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.287 -0.214 -1.875 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.811 -0.616 -3.528 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.800 0.820 -3.239 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.451 2.524 0.477 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.636 1.277 0.022 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.896 0.910 -0.027 1.00 0.69 H new ATOM 604 N ASP A 39 -2.871 0.633 -6.155 1.00 0.52 N ATOM 605 CA ASP A 39 -3.017 -0.376 -7.197 1.00 0.73 C ATOM 606 C ASP A 39 -1.710 -1.116 -7.468 1.00 0.50 C ATOM 607 O ASP A 39 -1.716 -2.213 -8.026 1.00 0.64 O ATOM 608 CB ASP A 39 -3.539 0.262 -8.483 1.00 1.08 C ATOM 609 CG ASP A 39 -4.127 -0.762 -9.433 1.00 1.73 C ATOM 610 OD1 ASP A 39 -5.167 -1.362 -9.094 1.00 2.47 O ATOM 611 OD2 ASP A 39 -3.559 -0.964 -10.529 1.00 2.16 O ATOM 0 H ASP A 39 -2.252 1.408 -6.393 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.739 -1.110 -6.839 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -4.298 1.004 -8.236 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -2.726 0.791 -8.980 1.00 1.08 H new ATOM 616 N HIS A 40 -0.592 -0.535 -7.061 1.00 0.37 N ATOM 617 CA HIS A 40 0.700 -1.170 -7.278 1.00 0.44 C ATOM 618 C HIS A 40 1.427 -1.395 -5.960 1.00 0.39 C ATOM 619 O HIS A 40 1.582 -0.478 -5.153 1.00 0.42 O ATOM 620 CB HIS A 40 1.561 -0.329 -8.227 1.00 0.72 C ATOM 621 CG HIS A 40 2.896 -0.943 -8.550 1.00 0.72 C ATOM 622 ND1 HIS A 40 3.129 -1.700 -9.678 1.00 1.59 N ATOM 623 CD2 HIS A 40 4.073 -0.907 -7.878 1.00 0.92 C ATOM 624 CE1 HIS A 40 4.385 -2.105 -9.682 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.979 -1.638 -8.604 1.00 1.64 N ATOM 0 H HIS A 40 -0.552 0.365 -6.584 1.00 0.37 H new ATOM 0 HA HIS A 40 0.523 -2.142 -7.738 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.012 -0.171 -9.155 1.00 0.72 H new ATOM 0 HB3 HIS A 40 1.723 0.652 -7.781 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.262 -0.398 -6.945 1.00 0.92 H new ATOM 0 HE1 HIS A 40 4.848 -2.717 -10.442 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.954 -1.794 -8.350 1.00 1.64 H new ATOM 634 N THR A 41 1.851 -2.630 -5.745 1.00 0.41 N ATOM 635 CA THR A 41 2.577 -2.998 -4.542 1.00 0.45 C ATOM 636 C THR A 41 3.552 -4.127 -4.851 1.00 0.54 C ATOM 637 O THR A 41 3.140 -5.253 -5.123 1.00 0.73 O ATOM 638 CB THR A 41 1.623 -3.444 -3.415 1.00 0.48 C ATOM 639 OG1 THR A 41 0.378 -2.734 -3.514 1.00 0.48 O ATOM 640 CG2 THR A 41 2.243 -3.193 -2.047 1.00 0.55 C ATOM 0 H THR A 41 1.702 -3.401 -6.396 1.00 0.41 H new ATOM 0 HA THR A 41 3.120 -2.116 -4.201 1.00 0.45 H new ATOM 0 HB THR A 41 1.444 -4.513 -3.526 1.00 0.48 H new ATOM 0 HG1 THR A 41 -0.128 -3.067 -4.284 1.00 0.48 H new ATOM 0 HG21 THR A 41 1.551 -3.516 -1.269 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.173 -3.754 -1.961 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.449 -2.129 -1.931 1.00 0.55 H new ATOM 648 N GLY A 42 4.836 -3.813 -4.832 1.00 0.55 N ATOM 649 CA GLY A 42 5.848 -4.810 -5.118 1.00 0.66 C ATOM 650 C GLY A 42 6.728 -5.082 -3.915 1.00 0.64 C ATOM 651 O GLY A 42 7.187 -4.152 -3.257 1.00 0.70 O ATOM 0 H GLY A 42 5.199 -2.883 -4.623 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.367 -5.736 -5.433 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.465 -4.473 -5.951 1.00 0.66 H new ATOM 655 N VAL A 43 6.957 -6.356 -3.620 1.00 0.67 N ATOM 656 CA VAL A 43 7.777 -6.753 -2.483 1.00 0.71 C ATOM 657 C VAL A 43 8.665 -7.935 -2.857 1.00 0.74 C ATOM 658 O VAL A 43 8.171 -8.972 -3.303 1.00 0.82 O ATOM 659 CB VAL A 43 6.911 -7.158 -1.265 1.00 0.79 C ATOM 660 CG1 VAL A 43 7.789 -7.550 -0.087 1.00 0.93 C ATOM 661 CG2 VAL A 43 5.947 -6.045 -0.870 1.00 0.80 C ATOM 0 H VAL A 43 6.582 -7.137 -4.158 1.00 0.67 H new ATOM 0 HA VAL A 43 8.386 -5.890 -2.213 1.00 0.71 H new ATOM 0 HB VAL A 43 6.316 -8.024 -1.557 1.00 0.79 H new ATOM 0 HG11 VAL A 43 7.160 -7.831 0.758 1.00 0.93 H new ATOM 0 HG12 VAL A 43 8.418 -8.395 -0.367 1.00 0.93 H new ATOM 0 HG13 VAL A 43 8.419 -6.706 0.194 1.00 0.93 H new ATOM 0 HG21 VAL A 43 5.355 -6.364 -0.012 1.00 0.80 H new ATOM 0 HG22 VAL A 43 6.512 -5.150 -0.609 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.284 -5.824 -1.706 1.00 0.80 H new ATOM 671 N SER A 44 9.966 -7.778 -2.686 1.00 0.82 N ATOM 672 CA SER A 44 10.897 -8.850 -2.994 1.00 0.90 C ATOM 673 C SER A 44 10.940 -9.839 -1.837 1.00 1.01 C ATOM 674 O SER A 44 11.423 -9.524 -0.748 1.00 1.32 O ATOM 675 CB SER A 44 12.294 -8.299 -3.259 1.00 1.27 C ATOM 676 OG SER A 44 12.235 -7.101 -4.016 1.00 1.83 O ATOM 0 H SER A 44 10.400 -6.923 -2.337 1.00 0.82 H new ATOM 0 HA SER A 44 10.554 -9.358 -3.895 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.799 -8.110 -2.312 1.00 1.27 H new ATOM 0 HB3 SER A 44 12.886 -9.042 -3.794 1.00 1.27 H new ATOM 0 HG SER A 44 11.726 -6.426 -3.521 1.00 1.83 H new ATOM 682 N ASP A 45 10.442 -11.035 -2.081 1.00 1.10 N ATOM 683 CA ASP A 45 10.401 -12.070 -1.056 1.00 1.45 C ATOM 684 C ASP A 45 11.689 -12.878 -1.049 1.00 1.27 C ATOM 685 O ASP A 45 12.008 -13.543 -0.065 1.00 1.73 O ATOM 686 CB ASP A 45 9.191 -12.987 -1.255 1.00 2.05 C ATOM 687 CG ASP A 45 9.306 -13.870 -2.480 1.00 2.57 C ATOM 688 OD1 ASP A 45 9.126 -13.358 -3.604 1.00 3.12 O ATOM 689 OD2 ASP A 45 9.597 -15.075 -2.324 1.00 2.90 O ATOM 0 H ASP A 45 10.058 -11.319 -2.982 1.00 1.10 H new ATOM 0 HA ASP A 45 10.302 -11.579 -0.088 1.00 1.45 H new ATOM 0 HB2 ASP A 45 9.070 -13.615 -0.372 1.00 2.05 H new ATOM 0 HB3 ASP A 45 8.291 -12.377 -1.338 1.00 2.05 H new ATOM 694 N GLU A 46 12.439 -12.797 -2.138 1.00 1.36 N ATOM 695 CA GLU A 46 13.702 -13.515 -2.245 1.00 1.66 C ATOM 696 C GLU A 46 14.761 -12.849 -1.373 1.00 1.96 C ATOM 697 O GLU A 46 15.826 -13.415 -1.126 1.00 2.52 O ATOM 698 CB GLU A 46 14.170 -13.552 -3.696 1.00 2.19 C ATOM 699 CG GLU A 46 13.154 -14.170 -4.641 1.00 2.65 C ATOM 700 CD GLU A 46 13.384 -13.782 -6.084 1.00 3.34 C ATOM 701 OE1 GLU A 46 13.329 -12.577 -6.396 1.00 3.79 O ATOM 702 OE2 GLU A 46 13.626 -14.683 -6.914 1.00 3.80 O ATOM 0 H GLU A 46 12.196 -12.243 -2.959 1.00 1.36 H new ATOM 0 HA GLU A 46 13.550 -14.538 -1.899 1.00 1.66 H new ATOM 0 HB2 GLU A 46 14.391 -12.537 -4.025 1.00 2.19 H new ATOM 0 HB3 GLU A 46 15.101 -14.116 -3.756 1.00 2.19 H new ATOM 0 HG2 GLU A 46 13.194 -15.256 -4.551 1.00 2.65 H new ATOM 0 HG3 GLU A 46 12.152 -13.862 -4.342 1.00 2.65 H new ATOM 709 N LEU A 47 14.458 -11.638 -0.921 1.00 2.08 N ATOM 710 CA LEU A 47 15.359 -10.879 -0.070 1.00 2.74 C ATOM 711 C LEU A 47 15.322 -11.415 1.357 1.00 2.84 C ATOM 712 O LEU A 47 16.344 -11.477 2.039 1.00 3.61 O ATOM 713 CB LEU A 47 14.962 -9.400 -0.086 1.00 3.16 C ATOM 714 CG LEU A 47 15.614 -8.527 0.989 1.00 3.70 C ATOM 715 CD1 LEU A 47 17.013 -8.108 0.565 1.00 4.35 C ATOM 716 CD2 LEU A 47 14.746 -7.312 1.280 1.00 4.47 C ATOM 0 H LEU A 47 13.584 -11.158 -1.134 1.00 2.08 H new ATOM 0 HA LEU A 47 16.375 -10.982 -0.452 1.00 2.74 H new ATOM 0 HB2 LEU A 47 15.210 -8.987 -1.064 1.00 3.16 H new ATOM 0 HB3 LEU A 47 13.880 -9.332 0.024 1.00 3.16 H new ATOM 0 HG LEU A 47 15.703 -9.111 1.905 1.00 3.70 H new ATOM 0 HD11 LEU A 47 17.459 -7.488 1.343 1.00 4.35 H new ATOM 0 HD12 LEU A 47 17.628 -8.995 0.411 1.00 4.35 H new ATOM 0 HD13 LEU A 47 16.957 -7.540 -0.364 1.00 4.35 H new ATOM 0 HD21 LEU A 47 15.222 -6.700 2.046 1.00 4.47 H new ATOM 0 HD22 LEU A 47 14.625 -6.725 0.370 1.00 4.47 H new ATOM 0 HD23 LEU A 47 13.768 -7.640 1.633 1.00 4.47 H new ATOM 728 N GLY A 48 14.134 -11.805 1.797 1.00 2.46 N ATOM 729 CA GLY A 48 13.969 -12.324 3.139 1.00 3.19 C ATOM 730 C GLY A 48 13.230 -11.347 4.028 1.00 3.20 C ATOM 731 O GLY A 48 12.733 -11.714 5.095 1.00 3.86 O ATOM 0 H GLY A 48 13.277 -11.771 1.245 1.00 2.46 H new ATOM 0 HA2 GLY A 48 13.423 -13.266 3.100 1.00 3.19 H new ATOM 0 HA3 GLY A 48 14.947 -12.540 3.569 1.00 3.19 H new ATOM 735 N GLY A 49 13.151 -10.099 3.580 1.00 2.85 N ATOM 736 CA GLY A 49 12.469 -9.073 4.342 1.00 3.05 C ATOM 737 C GLY A 49 10.981 -9.037 4.058 1.00 2.17 C ATOM 738 O GLY A 49 10.530 -8.347 3.143 1.00 2.73 O ATOM 0 H GLY A 49 13.550 -9.780 2.697 1.00 2.85 H new ATOM 0 HA2 GLY A 49 12.629 -9.247 5.406 1.00 3.05 H new ATOM 0 HA3 GLY A 49 12.904 -8.101 4.109 1.00 3.05 H new ATOM 742 N GLN A 50 10.218 -9.782 4.843 1.00 1.42 N ATOM 743 CA GLN A 50 8.771 -9.842 4.676 1.00 1.52 C ATOM 744 C GLN A 50 8.090 -8.689 5.404 1.00 1.37 C ATOM 745 O GLN A 50 7.011 -8.242 5.010 1.00 2.20 O ATOM 746 CB GLN A 50 8.237 -11.183 5.186 1.00 2.43 C ATOM 747 CG GLN A 50 8.087 -12.243 4.101 1.00 2.96 C ATOM 748 CD GLN A 50 9.122 -12.111 3.000 1.00 3.04 C ATOM 749 OE1 GLN A 50 8.769 -11.400 1.943 1.00 3.39 O flip ATOM 750 NE2 GLN A 50 10.226 -12.649 3.094 1.00 3.44 N flip ATOM 0 H GLN A 50 10.577 -10.356 5.606 1.00 1.42 H new ATOM 0 HA GLN A 50 8.545 -9.752 3.614 1.00 1.52 H new ATOM 0 HB2 GLN A 50 8.908 -11.560 5.958 1.00 2.43 H new ATOM 0 HB3 GLN A 50 7.268 -11.021 5.658 1.00 2.43 H new ATOM 0 HG2 GLN A 50 8.168 -13.232 4.552 1.00 2.96 H new ATOM 0 HG3 GLN A 50 7.090 -12.172 3.666 1.00 2.96 H new ATOM 0 HE21 GLN A 50 10.461 -13.190 3.926 1.00 3.44 H new ATOM 0 HE22 GLN A 50 10.906 -12.554 2.339 1.00 3.44 H new ATOM 759 N GLY A 51 8.740 -8.192 6.449 1.00 1.01 N ATOM 760 CA GLY A 51 8.177 -7.096 7.217 1.00 1.11 C ATOM 761 C GLY A 51 8.385 -5.756 6.543 1.00 0.88 C ATOM 762 O GLY A 51 7.769 -4.760 6.926 1.00 0.86 O ATOM 0 H GLY A 51 9.645 -8.527 6.779 1.00 1.01 H new ATOM 0 HA2 GLY A 51 7.110 -7.266 7.361 1.00 1.11 H new ATOM 0 HA3 GLY A 51 8.633 -7.077 8.207 1.00 1.11 H new ATOM 766 N VAL A 52 9.240 -5.736 5.526 1.00 0.80 N ATOM 767 CA VAL A 52 9.534 -4.510 4.791 1.00 0.68 C ATOM 768 C VAL A 52 8.284 -3.982 4.094 1.00 0.58 C ATOM 769 O VAL A 52 7.991 -2.785 4.142 1.00 0.56 O ATOM 770 CB VAL A 52 10.644 -4.729 3.740 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.117 -3.399 3.170 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.808 -5.499 4.345 1.00 1.14 C ATOM 0 H VAL A 52 9.743 -6.557 5.191 1.00 0.80 H new ATOM 0 HA VAL A 52 9.882 -3.778 5.520 1.00 0.68 H new ATOM 0 HB VAL A 52 10.230 -5.320 2.923 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.899 -3.577 2.432 1.00 0.91 H new ATOM 0 HG12 VAL A 52 10.279 -2.888 2.695 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.512 -2.778 3.974 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.580 -5.644 3.590 1.00 1.14 H new ATOM 0 HG22 VAL A 52 12.220 -4.936 5.182 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.458 -6.470 4.697 1.00 1.14 H new ATOM 782 N GLY A 53 7.539 -4.888 3.472 1.00 0.59 N ATOM 783 CA GLY A 53 6.324 -4.503 2.778 1.00 0.58 C ATOM 784 C GLY A 53 5.264 -4.002 3.738 1.00 0.51 C ATOM 785 O GLY A 53 4.500 -3.090 3.421 1.00 0.50 O ATOM 0 H GLY A 53 7.755 -5.884 3.436 1.00 0.59 H new ATOM 0 HA2 GLY A 53 6.552 -3.725 2.050 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.937 -5.357 2.222 1.00 0.58 H new ATOM 789 N LYS A 54 5.231 -4.595 4.927 1.00 0.52 N ATOM 790 CA LYS A 54 4.269 -4.208 5.951 1.00 0.50 C ATOM 791 C LYS A 54 4.622 -2.841 6.520 1.00 0.48 C ATOM 792 O LYS A 54 3.741 -2.057 6.862 1.00 0.48 O ATOM 793 CB LYS A 54 4.236 -5.248 7.072 1.00 0.59 C ATOM 794 CG LYS A 54 3.785 -6.624 6.609 1.00 0.75 C ATOM 795 CD LYS A 54 3.621 -7.579 7.779 1.00 1.08 C ATOM 796 CE LYS A 54 2.186 -8.067 7.902 1.00 1.49 C ATOM 797 NZ LYS A 54 1.263 -6.986 8.344 1.00 2.02 N ATOM 0 H LYS A 54 5.861 -5.347 5.205 1.00 0.52 H new ATOM 0 HA LYS A 54 3.282 -4.154 5.493 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.230 -5.329 7.511 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.567 -4.901 7.859 1.00 0.59 H new ATOM 0 HG2 LYS A 54 2.840 -6.537 6.074 1.00 0.75 H new ATOM 0 HG3 LYS A 54 4.513 -7.029 5.906 1.00 0.75 H new ATOM 0 HD2 LYS A 54 4.287 -8.432 7.650 1.00 1.08 H new ATOM 0 HD3 LYS A 54 3.917 -7.080 8.702 1.00 1.08 H new ATOM 0 HE2 LYS A 54 1.853 -8.457 6.940 1.00 1.49 H new ATOM 0 HE3 LYS A 54 2.144 -8.892 8.613 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 0.280 -7.317 8.269 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 1.469 -6.736 9.332 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 1.394 -6.149 7.740 1.00 2.02 H new ATOM 811 N LYS A 55 5.920 -2.565 6.602 1.00 0.51 N ATOM 812 CA LYS A 55 6.414 -1.294 7.120 1.00 0.54 C ATOM 813 C LYS A 55 5.912 -0.142 6.257 1.00 0.47 C ATOM 814 O LYS A 55 5.491 0.897 6.769 1.00 0.48 O ATOM 815 CB LYS A 55 7.945 -1.304 7.151 1.00 0.65 C ATOM 816 CG LYS A 55 8.561 -0.092 7.831 1.00 1.28 C ATOM 817 CD LYS A 55 10.023 0.078 7.449 1.00 1.72 C ATOM 818 CE LYS A 55 10.897 -1.018 8.037 1.00 2.30 C ATOM 819 NZ LYS A 55 11.216 -0.770 9.466 1.00 2.57 N ATOM 0 H LYS A 55 6.654 -3.211 6.313 1.00 0.51 H new ATOM 0 HA LYS A 55 6.040 -1.156 8.135 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.281 -2.205 7.664 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.318 -1.362 6.128 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.005 0.804 7.554 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.476 -0.198 8.913 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.117 0.073 6.363 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.377 1.049 7.795 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.389 -1.978 7.940 1.00 2.30 H new ATOM 0 HE3 LYS A 55 11.823 -1.089 7.466 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 11.813 -1.541 9.827 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 11.724 0.133 9.557 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 10.335 -0.728 10.016 1.00 2.57 H new ATOM 833 N LEU A 56 5.949 -0.340 4.945 1.00 0.46 N ATOM 834 CA LEU A 56 5.493 0.674 4.006 1.00 0.45 C ATOM 835 C LEU A 56 3.982 0.843 4.090 1.00 0.38 C ATOM 836 O LEU A 56 3.474 1.963 4.104 1.00 0.37 O ATOM 837 CB LEU A 56 5.900 0.302 2.581 1.00 0.54 C ATOM 838 CG LEU A 56 7.393 0.423 2.281 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.685 0.010 0.851 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.872 1.844 2.531 1.00 0.85 C ATOM 0 H LEU A 56 6.291 -1.196 4.508 1.00 0.46 H new ATOM 0 HA LEU A 56 5.964 1.621 4.271 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.588 -0.724 2.387 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.353 0.938 1.886 1.00 0.54 H new ATOM 0 HG LEU A 56 7.933 -0.247 2.950 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.753 0.103 0.656 1.00 0.86 H new ATOM 0 HD12 LEU A 56 7.378 -1.025 0.701 1.00 0.86 H new ATOM 0 HD13 LEU A 56 7.134 0.655 0.166 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.938 1.912 2.312 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.324 2.531 1.886 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.698 2.108 3.574 1.00 0.85 H new ATOM 852 N LEU A 57 3.271 -0.280 4.148 1.00 0.37 N ATOM 853 CA LEU A 57 1.815 -0.261 4.245 1.00 0.36 C ATOM 854 C LEU A 57 1.383 0.452 5.524 1.00 0.34 C ATOM 855 O LEU A 57 0.446 1.251 5.519 1.00 0.37 O ATOM 856 CB LEU A 57 1.261 -1.689 4.225 1.00 0.43 C ATOM 857 CG LEU A 57 -0.265 -1.798 4.259 1.00 0.72 C ATOM 858 CD1 LEU A 57 -0.866 -1.363 2.930 1.00 1.29 C ATOM 859 CD2 LEU A 57 -0.684 -3.218 4.597 1.00 0.71 C ATOM 0 H LEU A 57 3.680 -1.214 4.129 1.00 0.37 H new ATOM 0 HA LEU A 57 1.416 0.280 3.387 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.625 -2.190 3.328 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.667 -2.231 5.079 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.641 -1.131 5.035 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -1.952 -1.448 2.976 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.592 -0.328 2.728 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.486 -2.001 2.132 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -1.772 -3.281 4.618 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.295 -3.902 3.842 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.286 -3.492 5.574 1.00 0.71 H new ATOM 871 N LYS A 58 2.090 0.160 6.610 1.00 0.36 N ATOM 872 CA LYS A 58 1.811 0.767 7.905 1.00 0.42 C ATOM 873 C LYS A 58 1.980 2.280 7.825 1.00 0.41 C ATOM 874 O LYS A 58 1.170 3.033 8.365 1.00 0.44 O ATOM 875 CB LYS A 58 2.743 0.187 8.972 1.00 0.50 C ATOM 876 CG LYS A 58 2.475 0.712 10.374 1.00 0.74 C ATOM 877 CD LYS A 58 3.439 0.116 11.386 1.00 1.10 C ATOM 878 CE LYS A 58 4.853 0.647 11.205 1.00 1.13 C ATOM 879 NZ LYS A 58 4.990 2.050 11.681 1.00 1.39 N ATOM 0 H LYS A 58 2.868 -0.500 6.618 1.00 0.36 H new ATOM 0 HA LYS A 58 0.780 0.544 8.181 1.00 0.42 H new ATOM 0 HB2 LYS A 58 2.644 -0.899 8.976 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.774 0.412 8.701 1.00 0.50 H new ATOM 0 HG2 LYS A 58 2.565 1.798 10.380 1.00 0.74 H new ATOM 0 HG3 LYS A 58 1.451 0.475 10.663 1.00 0.74 H new ATOM 0 HD2 LYS A 58 3.093 0.343 12.394 1.00 1.10 H new ATOM 0 HD3 LYS A 58 3.444 -0.969 11.287 1.00 1.10 H new ATOM 0 HE2 LYS A 58 5.551 0.011 11.749 1.00 1.13 H new ATOM 0 HE3 LYS A 58 5.128 0.594 10.151 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 5.257 2.662 10.884 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 4.084 2.372 12.077 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 5.725 2.097 12.415 1.00 1.39 H new ATOM 893 N ALA A 59 3.026 2.716 7.128 1.00 0.43 N ATOM 894 CA ALA A 59 3.303 4.139 6.967 1.00 0.48 C ATOM 895 C ALA A 59 2.150 4.832 6.254 1.00 0.44 C ATOM 896 O ALA A 59 1.743 5.927 6.643 1.00 0.47 O ATOM 897 CB ALA A 59 4.604 4.347 6.209 1.00 0.56 C ATOM 0 H ALA A 59 3.696 2.102 6.665 1.00 0.43 H new ATOM 0 HA ALA A 59 3.409 4.582 7.957 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.794 5.415 6.099 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.424 3.888 6.761 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.528 3.888 5.223 1.00 0.56 H new ATOM 903 N VAL A 60 1.616 4.182 5.225 1.00 0.39 N ATOM 904 CA VAL A 60 0.497 4.733 4.471 1.00 0.38 C ATOM 905 C VAL A 60 -0.719 4.888 5.380 1.00 0.37 C ATOM 906 O VAL A 60 -1.345 5.944 5.418 1.00 0.40 O ATOM 907 CB VAL A 60 0.123 3.846 3.262 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.046 4.445 2.493 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.317 3.659 2.341 1.00 0.41 C ATOM 0 H VAL A 60 1.940 3.273 4.895 1.00 0.39 H new ATOM 0 HA VAL A 60 0.807 5.707 4.092 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.177 2.870 3.642 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.292 3.804 1.647 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -1.911 4.525 3.151 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.773 5.436 2.130 1.00 0.44 H new ATOM 0 HG21 VAL A 60 1.031 3.031 1.497 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.650 4.630 1.975 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.128 3.181 2.890 1.00 0.41 H new ATOM 919 N VAL A 61 -1.020 3.834 6.132 1.00 0.36 N ATOM 920 CA VAL A 61 -2.153 3.833 7.052 1.00 0.40 C ATOM 921 C VAL A 61 -1.981 4.908 8.123 1.00 0.44 C ATOM 922 O VAL A 61 -2.909 5.666 8.418 1.00 0.49 O ATOM 923 CB VAL A 61 -2.325 2.454 7.727 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.490 2.469 8.703 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.521 1.370 6.679 1.00 0.43 C ATOM 0 H VAL A 61 -0.490 2.962 6.122 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.047 4.049 6.468 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.417 2.234 8.288 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.590 1.487 9.165 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.308 3.216 9.475 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.408 2.715 8.170 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.641 0.405 7.172 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.412 1.590 6.090 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.651 1.337 6.023 1.00 0.43 H new ATOM 935 N GLU A 62 -0.786 4.976 8.695 1.00 0.47 N ATOM 936 CA GLU A 62 -0.489 5.961 9.722 1.00 0.54 C ATOM 937 C GLU A 62 -0.610 7.375 9.168 1.00 0.55 C ATOM 938 O GLU A 62 -1.228 8.242 9.787 1.00 0.61 O ATOM 939 CB GLU A 62 0.911 5.736 10.289 1.00 0.61 C ATOM 940 CG GLU A 62 0.952 4.698 11.395 1.00 1.05 C ATOM 941 CD GLU A 62 2.298 4.631 12.085 1.00 1.17 C ATOM 942 OE1 GLU A 62 2.782 5.681 12.558 1.00 1.53 O ATOM 943 OE2 GLU A 62 2.873 3.526 12.162 1.00 1.76 O ATOM 0 H GLU A 62 -0.007 4.359 8.464 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.216 5.842 10.525 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.576 5.425 9.483 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.296 6.681 10.673 1.00 0.61 H new ATOM 0 HG2 GLU A 62 0.182 4.927 12.132 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.713 3.720 10.978 1.00 1.05 H new ATOM 950 N HIS A 63 -0.041 7.598 7.991 1.00 0.54 N ATOM 951 CA HIS A 63 -0.087 8.906 7.352 1.00 0.61 C ATOM 952 C HIS A 63 -1.521 9.266 6.983 1.00 0.61 C ATOM 953 O HIS A 63 -1.909 10.437 7.019 1.00 0.69 O ATOM 954 CB HIS A 63 0.808 8.931 6.112 1.00 0.67 C ATOM 955 CG HIS A 63 1.170 10.314 5.665 1.00 0.78 C ATOM 956 ND1 HIS A 63 1.482 11.328 6.543 1.00 0.85 N ATOM 957 CD2 HIS A 63 1.268 10.849 4.427 1.00 0.97 C ATOM 958 CE1 HIS A 63 1.756 12.425 5.865 1.00 0.97 C ATOM 959 NE2 HIS A 63 1.634 12.164 4.579 1.00 1.04 N ATOM 0 H HIS A 63 0.460 6.887 7.458 1.00 0.54 H new ATOM 0 HA HIS A 63 0.286 9.648 8.058 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.722 8.375 6.322 1.00 0.67 H new ATOM 0 HB3 HIS A 63 0.301 8.415 5.297 1.00 0.67 H new ATOM 0 HD1 HIS A 63 1.499 11.244 7.559 1.00 0.85 H new ATOM 0 HD2 HIS A 63 1.091 10.337 3.492 1.00 0.97 H new ATOM 0 HE1 HIS A 63 2.034 13.377 6.292 1.00 0.97 H new ATOM 968 N ALA A 64 -2.302 8.253 6.628 1.00 0.56 N ATOM 969 CA ALA A 64 -3.698 8.456 6.280 1.00 0.62 C ATOM 970 C ALA A 64 -4.461 8.950 7.496 1.00 0.70 C ATOM 971 O ALA A 64 -5.247 9.884 7.407 1.00 0.85 O ATOM 972 CB ALA A 64 -4.318 7.174 5.743 1.00 0.61 C ATOM 0 H ALA A 64 -1.990 7.283 6.574 1.00 0.56 H new ATOM 0 HA ALA A 64 -3.756 9.208 5.493 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.363 7.353 5.490 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.779 6.855 4.851 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.257 6.394 6.502 1.00 0.61 H new ATOM 978 N ARG A 65 -4.193 8.331 8.639 1.00 0.69 N ATOM 979 CA ARG A 65 -4.834 8.710 9.894 1.00 0.82 C ATOM 980 C ARG A 65 -4.464 10.146 10.262 1.00 0.85 C ATOM 981 O ARG A 65 -5.276 10.888 10.816 1.00 0.96 O ATOM 982 CB ARG A 65 -4.397 7.757 11.014 1.00 0.89 C ATOM 983 CG ARG A 65 -5.172 7.927 12.313 1.00 1.36 C ATOM 984 CD ARG A 65 -6.481 7.161 12.281 1.00 1.44 C ATOM 985 NE ARG A 65 -7.638 8.051 12.237 1.00 2.20 N ATOM 986 CZ ARG A 65 -8.886 7.645 12.001 1.00 2.25 C ATOM 987 NH1 ARG A 65 -9.137 6.363 11.768 1.00 1.87 N ATOM 988 NH2 ARG A 65 -9.881 8.524 11.998 1.00 3.12 N ATOM 0 H ARG A 65 -3.532 7.559 8.724 1.00 0.69 H new ATOM 0 HA ARG A 65 -5.915 8.644 9.770 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -4.511 6.730 10.667 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -3.336 7.910 11.214 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -4.565 7.579 13.149 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -5.372 8.985 12.483 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -6.495 6.505 11.410 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -6.549 6.523 13.162 1.00 1.44 H new ATOM 0 HE ARG A 65 -7.482 9.046 12.397 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.374 5.686 11.769 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -10.093 6.055 11.588 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -9.691 9.510 12.176 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -10.836 8.213 11.817 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.235 10.527 9.927 1.00 0.79 N ATOM 1003 CA GLU A 66 -2.724 11.862 10.215 1.00 0.88 C ATOM 1004 C GLU A 66 -3.499 12.945 9.467 1.00 0.89 C ATOM 1005 O GLU A 66 -3.696 14.040 9.988 1.00 1.00 O ATOM 1006 CB GLU A 66 -1.242 11.958 9.837 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.331 11.083 10.683 1.00 1.05 C ATOM 1008 CD GLU A 66 1.133 11.236 10.315 1.00 1.33 C ATOM 1009 OE1 GLU A 66 1.484 11.001 9.139 1.00 1.82 O ATOM 1010 OE2 GLU A 66 1.942 11.592 11.198 1.00 1.38 O ATOM 0 H GLU A 66 -2.568 9.921 9.450 1.00 0.79 H new ATOM 0 HA GLU A 66 -2.849 12.027 11.285 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.126 11.680 8.789 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -0.920 12.995 9.929 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.466 11.335 11.735 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -0.624 10.040 10.566 1.00 1.05 H new ATOM 1017 N ASN A 67 -3.945 12.640 8.254 1.00 0.82 N ATOM 1018 CA ASN A 67 -4.665 13.627 7.448 1.00 0.87 C ATOM 1019 C ASN A 67 -6.120 13.239 7.200 1.00 0.89 C ATOM 1020 O ASN A 67 -6.792 13.858 6.377 1.00 0.97 O ATOM 1021 CB ASN A 67 -3.949 13.833 6.114 1.00 0.86 C ATOM 1022 CG ASN A 67 -2.703 14.685 6.252 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -2.763 15.912 6.169 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -1.563 14.043 6.468 1.00 1.09 N ATOM 0 H ASN A 67 -3.825 11.730 7.809 1.00 0.82 H new ATOM 0 HA ASN A 67 -4.673 14.557 8.016 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -3.678 12.863 5.697 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -4.632 14.305 5.407 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -0.694 14.567 6.572 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -1.555 13.025 6.530 1.00 1.09 H new ATOM 1031 N ASN A 68 -6.596 12.223 7.916 1.00 0.88 N ATOM 1032 CA ASN A 68 -7.979 11.740 7.783 1.00 0.94 C ATOM 1033 C ASN A 68 -8.271 11.295 6.343 1.00 0.87 C ATOM 1034 O ASN A 68 -9.327 11.596 5.778 1.00 0.94 O ATOM 1035 CB ASN A 68 -8.978 12.823 8.221 1.00 1.10 C ATOM 1036 CG ASN A 68 -10.376 12.275 8.453 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -10.549 11.145 8.908 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -11.384 13.075 8.138 1.00 2.18 N ATOM 0 H ASN A 68 -6.042 11.710 8.602 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.095 10.876 8.437 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -8.620 13.292 9.137 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -9.020 13.602 7.460 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -12.345 12.761 8.270 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -11.199 14.005 7.763 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.330 10.567 5.762 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.464 10.074 4.399 1.00 0.73 C ATOM 1047 C LEU A 69 -8.147 8.712 4.393 1.00 0.70 C ATOM 1048 O LEU A 69 -8.153 8.009 5.404 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.090 9.967 3.731 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.296 11.273 3.648 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -3.885 11.006 3.150 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -5.996 12.268 2.736 1.00 0.77 C ATOM 0 H LEU A 69 -6.457 10.302 6.218 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.076 10.781 3.838 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.496 9.234 4.277 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.225 9.579 2.721 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.238 11.702 4.648 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.334 11.945 3.097 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.379 10.327 3.836 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -3.928 10.554 2.159 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -5.416 13.190 2.690 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.084 11.845 1.735 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -6.990 12.484 3.128 1.00 0.77 H new ATOM 1064 N LYS A 70 -8.722 8.348 3.258 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.405 7.070 3.116 1.00 0.70 C ATOM 1066 C LYS A 70 -8.611 6.181 2.177 1.00 0.62 C ATOM 1067 O LYS A 70 -8.309 6.572 1.054 1.00 0.60 O ATOM 1068 CB LYS A 70 -10.829 7.266 2.584 1.00 0.76 C ATOM 1069 CG LYS A 70 -11.806 7.803 3.620 1.00 0.80 C ATOM 1070 CD LYS A 70 -11.544 9.267 3.934 1.00 1.70 C ATOM 1071 CE LYS A 70 -12.325 9.730 5.149 1.00 1.93 C ATOM 1072 NZ LYS A 70 -12.073 11.164 5.460 1.00 3.05 N ATOM 0 H LYS A 70 -8.730 8.923 2.416 1.00 0.72 H new ATOM 0 HA LYS A 70 -9.476 6.597 4.095 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -10.799 7.952 1.738 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.200 6.313 2.209 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.826 7.686 3.253 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -11.727 7.215 4.534 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -10.478 9.417 4.108 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -11.815 9.878 3.073 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -13.390 9.578 4.975 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -12.053 9.119 6.010 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -12.411 11.375 6.421 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -11.053 11.358 5.401 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -12.579 11.762 4.776 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.278 4.990 2.632 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.482 4.077 1.831 1.00 0.57 C ATOM 1088 C ILE A 71 -8.335 3.046 1.105 1.00 0.56 C ATOM 1089 O ILE A 71 -9.188 2.388 1.701 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.431 3.342 2.690 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.565 4.349 3.449 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.561 2.440 1.823 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.545 3.707 4.362 1.00 0.86 C ATOM 0 H ILE A 71 -8.544 4.631 3.549 1.00 0.62 H new ATOM 0 HA ILE A 71 -6.978 4.695 1.088 1.00 0.57 H new ATOM 0 HB ILE A 71 -6.956 2.718 3.414 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.047 4.984 2.730 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.211 4.998 4.040 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -4.827 1.932 2.449 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.187 1.700 1.324 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.045 3.042 1.075 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -3.969 4.483 4.866 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.056 3.094 5.105 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -3.874 3.080 3.774 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.101 2.936 -0.192 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.777 1.964 -1.032 1.00 0.54 C ATOM 1107 C ILE A 72 -7.717 1.185 -1.794 1.00 0.50 C ATOM 1108 O ILE A 72 -6.894 1.768 -2.496 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.773 2.602 -2.029 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.449 4.080 -2.266 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.198 2.442 -1.523 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.225 4.695 -3.410 1.00 0.99 C ATOM 0 H ILE A 72 -7.433 3.522 -0.693 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.368 1.315 -0.386 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.678 2.083 -2.983 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.658 4.640 -1.354 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.382 4.182 -2.465 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.889 2.895 -2.233 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.430 1.382 -1.417 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.298 2.934 -0.555 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.944 5.742 -3.519 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -9.998 4.161 -4.332 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.293 4.626 -3.204 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.719 -0.123 -1.646 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.716 -0.948 -2.293 1.00 0.43 C ATOM 1126 C ALA A 73 -7.305 -1.812 -3.390 1.00 0.43 C ATOM 1127 O ALA A 73 -8.048 -2.756 -3.120 1.00 0.47 O ATOM 1128 CB ALA A 73 -6.017 -1.820 -1.263 1.00 0.50 C ATOM 0 H ALA A 73 -8.399 -0.638 -1.087 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.994 -0.278 -2.759 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -5.266 -2.436 -1.757 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.534 -1.187 -0.518 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.749 -2.463 -0.774 1.00 0.50 H new ATOM 1134 N SER A 74 -6.982 -1.476 -4.627 1.00 0.48 N ATOM 1135 CA SER A 74 -7.443 -2.243 -5.767 1.00 0.53 C ATOM 1136 C SER A 74 -6.406 -3.308 -6.095 1.00 0.46 C ATOM 1137 O SER A 74 -6.703 -4.310 -6.744 1.00 0.55 O ATOM 1138 CB SER A 74 -7.676 -1.324 -6.963 1.00 0.69 C ATOM 1139 OG SER A 74 -8.539 -0.254 -6.612 1.00 0.94 O ATOM 0 H SER A 74 -6.400 -0.673 -4.866 1.00 0.48 H new ATOM 0 HA SER A 74 -8.391 -2.726 -5.529 1.00 0.53 H new ATOM 0 HB2 SER A 74 -6.723 -0.929 -7.315 1.00 0.69 H new ATOM 0 HB3 SER A 74 -8.109 -1.892 -7.786 1.00 0.69 H new ATOM 0 HG SER A 74 -8.014 0.474 -6.218 1.00 0.94 H new ATOM 1145 N CYS A 75 -5.187 -3.075 -5.619 1.00 0.45 N ATOM 1146 CA CYS A 75 -4.081 -3.997 -5.820 1.00 0.48 C ATOM 1147 C CYS A 75 -4.388 -5.333 -5.161 1.00 0.45 C ATOM 1148 O CYS A 75 -4.810 -5.374 -4.008 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.801 -3.401 -5.231 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.450 -4.579 -5.019 1.00 1.31 S ATOM 0 H CYS A 75 -4.941 -2.242 -5.084 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.940 -4.159 -6.889 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.462 -2.592 -5.878 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -3.034 -2.958 -4.263 1.00 0.59 H new ATOM 0 HG CYS A 75 -0.524 -4.340 -5.899 1.00 1.31 H new ATOM 1156 N SER A 76 -4.163 -6.414 -5.894 1.00 0.57 N ATOM 1157 CA SER A 76 -4.422 -7.759 -5.400 1.00 0.64 C ATOM 1158 C SER A 76 -3.703 -8.032 -4.077 1.00 0.61 C ATOM 1159 O SER A 76 -4.237 -8.715 -3.200 1.00 0.61 O ATOM 1160 CB SER A 76 -3.985 -8.768 -6.458 1.00 0.82 C ATOM 1161 OG SER A 76 -4.176 -8.236 -7.762 1.00 1.12 O ATOM 0 H SER A 76 -3.797 -6.384 -6.845 1.00 0.57 H new ATOM 0 HA SER A 76 -5.491 -7.855 -5.208 1.00 0.64 H new ATOM 0 HB2 SER A 76 -2.935 -9.024 -6.313 1.00 0.82 H new ATOM 0 HB3 SER A 76 -4.556 -9.690 -6.348 1.00 0.82 H new ATOM 0 HG SER A 76 -3.889 -8.894 -8.429 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.507 -7.482 -3.927 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.732 -7.678 -2.712 1.00 0.62 C ATOM 1169 C PHE A 77 -2.203 -6.744 -1.603 1.00 0.55 C ATOM 1170 O PHE A 77 -2.561 -7.193 -0.512 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.242 -7.455 -2.982 1.00 0.68 C ATOM 1172 CG PHE A 77 0.610 -7.625 -1.758 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.717 -8.857 -1.133 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.314 -6.554 -1.241 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.513 -9.013 -0.013 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.108 -6.703 -0.124 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.166 -7.947 0.520 1.00 0.95 C ATOM 0 H PHE A 77 -2.054 -6.898 -4.630 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.884 -8.707 -2.385 1.00 0.62 H new ATOM 0 HB2 PHE A 77 0.091 -8.154 -3.749 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.097 -6.451 -3.381 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.173 -9.704 -1.525 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.241 -5.588 -1.718 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.616 -9.988 0.441 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.681 -5.868 0.252 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.727 -8.058 1.436 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.219 -5.446 -1.893 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.624 -4.438 -0.917 1.00 0.46 C ATOM 1189 C ALA A 78 -4.030 -4.695 -0.386 1.00 0.44 C ATOM 1190 O ALA A 78 -4.299 -4.495 0.799 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.535 -3.048 -1.525 1.00 0.47 C ATOM 0 H ALA A 78 -1.954 -5.066 -2.802 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.937 -4.503 -0.073 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.840 -2.307 -0.786 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.508 -2.851 -1.834 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -3.193 -2.987 -2.392 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.922 -5.143 -1.263 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.293 -5.431 -0.874 1.00 0.47 C ATOM 1199 C LYS A 79 -6.322 -6.507 0.203 1.00 0.52 C ATOM 1200 O LYS A 79 -6.910 -6.310 1.260 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.117 -5.870 -2.090 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.575 -6.175 -1.777 1.00 0.63 C ATOM 1203 CD LYS A 79 -8.809 -7.668 -1.606 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.266 -7.976 -1.302 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.519 -9.438 -1.211 1.00 1.27 N ATOM 0 H LYS A 79 -4.718 -5.314 -2.248 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.735 -4.521 -0.469 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -7.075 -5.086 -2.846 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.657 -6.757 -2.526 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.869 -5.653 -0.866 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -9.207 -5.796 -2.580 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -8.508 -8.190 -2.514 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.181 -8.045 -0.799 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.549 -7.500 -0.363 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -10.897 -7.547 -2.080 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -11.314 -9.692 -1.831 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -9.668 -9.957 -1.509 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.752 -9.690 -0.229 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.655 -7.628 -0.065 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.609 -8.742 0.879 1.00 0.64 C ATOM 1221 C HIS A 80 -4.881 -8.343 2.161 1.00 0.60 C ATOM 1222 O HIS A 80 -5.201 -8.832 3.244 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.929 -9.957 0.238 1.00 0.77 C ATOM 1224 CG HIS A 80 -4.826 -11.151 1.145 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -5.917 -11.734 1.758 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -3.749 -11.867 1.541 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -5.510 -12.756 2.488 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -4.200 -12.857 2.374 1.00 1.13 N ATOM 0 H HIS A 80 -5.138 -7.789 -0.930 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.634 -9.008 1.138 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -5.483 -10.240 -0.657 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.928 -9.672 -0.085 1.00 0.77 H new ATOM 0 HD1 HIS A 80 -6.884 -11.424 1.662 1.00 1.09 H new ATOM 0 HD2 HIS A 80 -2.723 -11.691 1.254 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -6.143 -13.401 3.079 1.00 1.21 H new ATOM 1237 N MET A 81 -3.902 -7.458 2.029 1.00 0.58 N ATOM 1238 CA MET A 81 -3.134 -6.988 3.175 1.00 0.59 C ATOM 1239 C MET A 81 -4.027 -6.265 4.170 1.00 0.54 C ATOM 1240 O MET A 81 -4.123 -6.653 5.335 1.00 0.58 O ATOM 1241 CB MET A 81 -2.015 -6.052 2.720 1.00 0.64 C ATOM 1242 CG MET A 81 -0.792 -6.777 2.192 1.00 1.25 C ATOM 1243 SD MET A 81 -0.168 -8.022 3.337 1.00 1.51 S ATOM 1244 CE MET A 81 0.072 -7.039 4.816 1.00 1.09 C ATOM 0 H MET A 81 -3.620 -7.050 1.138 1.00 0.58 H new ATOM 0 HA MET A 81 -2.699 -7.860 3.664 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.399 -5.392 1.942 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.719 -5.420 3.557 1.00 0.64 H new ATOM 0 HG2 MET A 81 -1.039 -7.254 1.244 1.00 1.25 H new ATOM 0 HG3 MET A 81 -0.005 -6.051 1.988 1.00 1.25 H new ATOM 0 HE1 MET A 81 0.892 -7.456 5.401 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.311 -6.013 4.536 1.00 1.09 H new ATOM 0 HE3 MET A 81 -0.841 -7.050 5.412 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.698 -5.227 3.698 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.581 -4.437 4.541 1.00 0.51 C ATOM 1256 C LEU A 82 -6.846 -5.223 4.890 1.00 0.56 C ATOM 1257 O LEU A 82 -7.578 -4.874 5.815 1.00 0.58 O ATOM 1258 CB LEU A 82 -5.923 -3.127 3.836 1.00 0.53 C ATOM 1259 CG LEU A 82 -4.721 -2.219 3.560 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -4.880 -1.500 2.230 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.546 -1.214 4.684 1.00 0.49 C ATOM 0 H LEU A 82 -4.647 -4.910 2.730 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.071 -4.208 5.477 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.413 -3.356 2.890 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.643 -2.580 4.444 1.00 0.53 H new ATOM 0 HG LEU A 82 -3.829 -2.844 3.507 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -4.014 -0.861 2.056 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -4.957 -2.233 1.427 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -5.783 -0.890 2.252 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -3.687 -0.577 4.472 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.443 -0.600 4.766 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.382 -1.743 5.623 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.093 -6.282 4.127 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.238 -7.158 4.348 1.00 0.70 C ATOM 1275 C GLU A 83 -7.984 -8.015 5.586 1.00 0.68 C ATOM 1276 O GLU A 83 -8.894 -8.319 6.358 1.00 0.72 O ATOM 1277 CB GLU A 83 -8.445 -8.042 3.111 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.463 -9.151 3.282 1.00 1.15 C ATOM 1279 CD GLU A 83 -9.393 -10.165 2.157 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -8.447 -10.987 2.147 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -10.269 -10.139 1.271 1.00 1.45 O ATOM 0 H GLU A 83 -6.506 -6.557 3.339 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.139 -6.566 4.510 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.754 -7.410 2.279 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -7.488 -8.486 2.836 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -9.295 -9.654 4.234 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -10.464 -8.721 3.321 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.731 -8.401 5.757 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.321 -9.202 6.896 1.00 0.69 C ATOM 1290 C LYS A 84 -6.096 -8.298 8.101 1.00 0.68 C ATOM 1291 O LYS A 84 -6.543 -8.594 9.213 1.00 0.67 O ATOM 1292 CB LYS A 84 -5.044 -9.980 6.557 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.313 -10.536 7.768 1.00 0.99 C ATOM 1294 CD LYS A 84 -3.056 -11.285 7.359 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.080 -11.407 8.518 1.00 1.94 C ATOM 1296 NZ LYS A 84 -1.404 -10.119 8.817 1.00 2.33 N ATOM 0 H LYS A 84 -5.974 -8.169 5.114 1.00 0.67 H new ATOM 0 HA LYS A 84 -7.106 -9.919 7.137 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.300 -10.804 5.891 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.368 -9.325 6.008 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.050 -9.721 8.442 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.974 -11.205 8.319 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -3.324 -12.279 7.001 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.575 -10.766 6.530 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -2.612 -11.751 9.405 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -1.331 -12.163 8.283 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -0.760 -10.244 9.624 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -0.861 -9.811 7.985 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -2.117 -9.399 9.051 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.417 -7.181 7.865 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.128 -6.224 8.920 1.00 0.96 C ATOM 1312 C GLU A 85 -6.364 -5.411 9.281 1.00 0.93 C ATOM 1313 O GLU A 85 -6.615 -4.343 8.720 1.00 0.86 O ATOM 1314 CB GLU A 85 -3.986 -5.300 8.502 1.00 1.07 C ATOM 1315 CG GLU A 85 -2.657 -5.657 9.148 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.227 -7.084 8.861 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -2.789 -8.012 9.476 1.00 1.60 O ATOM 1318 OE2 GLU A 85 -1.316 -7.286 8.028 1.00 1.49 O ATOM 0 H GLU A 85 -5.056 -6.918 6.948 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.823 -6.782 9.805 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.877 -5.336 7.418 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.245 -4.274 8.762 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -1.889 -4.972 8.790 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -2.733 -5.515 10.226 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.124 -5.924 10.239 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.349 -5.274 10.696 1.00 1.10 C ATOM 1327 C ASP A 86 -8.041 -3.922 11.331 1.00 1.02 C ATOM 1328 O ASP A 86 -8.833 -2.982 11.241 1.00 0.99 O ATOM 1329 CB ASP A 86 -9.071 -6.171 11.701 1.00 1.36 C ATOM 1330 CG ASP A 86 -10.504 -5.746 11.945 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -10.738 -4.866 12.799 1.00 2.27 O ATOM 1332 OD2 ASP A 86 -11.412 -6.306 11.295 1.00 2.66 O ATOM 0 H ASP A 86 -6.912 -6.798 10.720 1.00 1.07 H new ATOM 0 HA ASP A 86 -8.994 -5.109 9.833 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -9.059 -7.199 11.338 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -8.528 -6.160 12.646 1.00 1.36 H new ATOM 1337 N SER A 87 -6.873 -3.827 11.947 1.00 1.05 N ATOM 1338 CA SER A 87 -6.436 -2.605 12.610 1.00 1.08 C ATOM 1339 C SER A 87 -6.266 -1.450 11.620 1.00 0.93 C ATOM 1340 O SER A 87 -6.305 -0.285 12.011 1.00 0.97 O ATOM 1341 CB SER A 87 -5.119 -2.869 13.330 1.00 1.27 C ATOM 1342 OG SER A 87 -5.031 -4.228 13.725 1.00 1.46 O ATOM 0 H SER A 87 -6.201 -4.593 12.002 1.00 1.05 H new ATOM 0 HA SER A 87 -7.204 -2.312 13.326 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.284 -2.620 12.675 1.00 1.27 H new ATOM 0 HB3 SER A 87 -5.041 -2.224 14.205 1.00 1.27 H new ATOM 0 HG SER A 87 -4.179 -4.381 14.184 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.073 -1.778 10.345 1.00 0.91 N ATOM 1349 CA TYR A 88 -5.892 -0.760 9.314 1.00 0.88 C ATOM 1350 C TYR A 88 -7.223 -0.388 8.666 1.00 0.89 C ATOM 1351 O TYR A 88 -7.291 0.539 7.859 1.00 0.80 O ATOM 1352 CB TYR A 88 -4.924 -1.251 8.234 1.00 0.93 C ATOM 1353 CG TYR A 88 -3.499 -1.468 8.704 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.065 -0.922 9.905 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.591 -2.218 7.962 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -1.775 -1.111 10.351 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.297 -2.412 8.405 1.00 0.97 C ATOM 1358 CZ TYR A 88 -0.877 -1.876 9.533 1.00 0.93 C ATOM 1359 OH TYR A 88 0.391 -2.045 10.042 1.00 1.00 O ATOM 0 H TYR A 88 -6.038 -2.738 10.002 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.477 0.124 9.798 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.303 -2.188 7.826 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -4.916 -0.528 7.418 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -3.751 -0.338 10.500 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -2.903 -2.655 7.025 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.448 -0.694 11.292 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.619 -3.013 7.817 1.00 0.97 H new ATOM 0 HH TYR A 88 0.926 -2.577 9.417 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.284 -1.095 9.036 1.00 1.08 N ATOM 1370 CA GLN A 89 -9.607 -0.843 8.470 1.00 1.18 C ATOM 1371 C GLN A 89 -10.282 0.354 9.131 1.00 1.16 C ATOM 1372 O GLN A 89 -11.499 0.528 9.042 1.00 1.26 O ATOM 1373 CB GLN A 89 -10.481 -2.089 8.583 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.149 -3.136 7.534 1.00 1.61 C ATOM 1375 CD GLN A 89 -10.759 -4.486 7.832 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -11.834 -4.585 8.423 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -10.075 -5.540 7.419 1.00 2.33 N ATOM 0 H GLN A 89 -8.256 -1.847 9.725 1.00 1.08 H new ATOM 0 HA GLN A 89 -9.478 -0.603 7.415 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.360 -2.524 9.575 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.528 -1.803 8.486 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -10.500 -2.792 6.561 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.066 -3.241 7.463 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -9.187 -5.413 6.933 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -10.435 -6.479 7.587 1.00 2.33 H new ATOM 1386 N ASP A 90 -9.480 1.173 9.800 1.00 1.11 N ATOM 1387 CA ASP A 90 -9.977 2.376 10.449 1.00 1.17 C ATOM 1388 C ASP A 90 -9.980 3.513 9.434 1.00 1.09 C ATOM 1389 O ASP A 90 -10.821 4.410 9.482 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.116 2.739 11.662 1.00 1.18 C ATOM 1391 CG ASP A 90 -7.734 3.224 11.278 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -7.026 2.490 10.561 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -7.354 4.340 11.688 1.00 2.03 O ATOM 0 H ASP A 90 -8.477 1.023 9.907 1.00 1.11 H new ATOM 0 HA ASP A 90 -10.991 2.201 10.809 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -9.620 3.513 12.240 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.023 1.867 12.309 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.023 3.463 8.516 1.00 0.83 N ATOM 1399 CA VAL A 91 -8.928 4.450 7.446 1.00 0.79 C ATOM 1400 C VAL A 91 -9.115 3.768 6.094 1.00 0.73 C ATOM 1401 O VAL A 91 -9.433 4.412 5.096 1.00 0.76 O ATOM 1402 CB VAL A 91 -7.584 5.211 7.452 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.591 6.301 8.510 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.422 4.259 7.676 1.00 0.78 C ATOM 0 H VAL A 91 -8.298 2.746 8.491 1.00 0.83 H new ATOM 0 HA VAL A 91 -9.718 5.181 7.618 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.456 5.678 6.476 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.636 6.825 8.498 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.395 7.007 8.300 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.748 5.854 9.492 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.487 4.820 7.676 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.543 3.756 8.635 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.400 3.517 6.878 1.00 0.78 H new ATOM 1414 N TYR A 92 -8.909 2.457 6.072 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.075 1.675 4.859 1.00 0.71 C ATOM 1416 C TYR A 92 -10.522 1.221 4.738 1.00 0.80 C ATOM 1417 O TYR A 92 -11.126 0.775 5.716 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.133 0.465 4.869 1.00 0.76 C ATOM 1419 CG TYR A 92 -8.476 -0.597 3.843 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -8.185 -0.410 2.498 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.089 -1.784 4.221 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -8.496 -1.375 1.561 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.402 -2.754 3.288 1.00 1.02 C ATOM 1424 CZ TYR A 92 -9.104 -2.544 1.959 1.00 1.02 C ATOM 1425 OH TYR A 92 -9.414 -3.507 1.021 1.00 1.14 O ATOM 0 H TYR A 92 -8.625 1.913 6.887 1.00 0.72 H new ATOM 0 HA TYR A 92 -8.824 2.295 3.999 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.114 0.810 4.692 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.149 0.014 5.861 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -7.708 0.505 2.180 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.325 -1.952 5.261 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -8.263 -1.213 0.519 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -9.878 -3.672 3.599 1.00 1.02 H new ATOM 0 HH TYR A 92 -9.838 -4.271 1.465 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.073 1.341 3.544 1.00 0.74 N ATOM 1436 CA LEU A 93 -12.447 0.945 3.302 1.00 0.84 C ATOM 1437 C LEU A 93 -12.552 -0.564 3.103 1.00 1.05 C ATOM 1438 O LEU A 93 -12.537 -1.063 1.976 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.010 1.696 2.094 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.045 3.223 2.240 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.672 3.864 1.015 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -13.808 3.624 3.493 1.00 1.42 C ATOM 0 H LEU A 93 -10.589 1.710 2.726 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.041 1.207 4.178 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -12.413 1.443 1.217 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.023 1.341 1.904 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.019 3.579 2.330 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.687 4.947 1.139 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.088 3.608 0.131 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.692 3.498 0.895 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.822 4.711 3.579 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -14.831 3.252 3.431 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.319 3.197 4.369 1.00 1.42 H new ATOM 1454 N GLY A 94 -12.620 -1.283 4.216 1.00 1.78 N ATOM 1455 CA GLY A 94 -12.741 -2.729 4.180 1.00 2.31 C ATOM 1456 C GLY A 94 -13.836 -3.217 5.105 1.00 3.01 C ATOM 1457 O GLY A 94 -13.877 -4.386 5.487 1.00 3.64 O ATOM 0 H GLY A 94 -12.593 -0.885 5.155 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -12.953 -3.052 3.161 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -11.792 -3.182 4.467 1.00 2.31 H new ATOM 1461 N LEU A 95 -14.728 -2.305 5.457 1.00 3.25 N ATOM 1462 CA LEU A 95 -15.844 -2.601 6.346 1.00 3.98 C ATOM 1463 C LEU A 95 -17.153 -2.354 5.611 1.00 3.60 C ATOM 1464 O LEU A 95 -18.150 -1.927 6.196 1.00 3.99 O ATOM 1465 CB LEU A 95 -15.766 -1.730 7.607 1.00 4.97 C ATOM 1466 CG LEU A 95 -15.851 -0.216 7.372 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -16.574 0.457 8.526 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -14.461 0.379 7.203 1.00 6.50 C ATOM 0 H LEU A 95 -14.700 -1.338 5.135 1.00 3.25 H new ATOM 0 HA LEU A 95 -15.795 -3.647 6.650 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -16.573 -2.021 8.279 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -14.830 -1.948 8.120 1.00 4.97 H new ATOM 0 HG LEU A 95 -16.415 -0.042 6.455 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -16.627 1.531 8.346 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -17.583 0.053 8.609 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -16.032 0.271 9.453 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -14.543 1.453 7.037 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -13.874 0.194 8.103 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -13.969 -0.084 6.348 1.00 6.50 H new ATOM 1480 N GLU A 96 -17.131 -2.633 4.318 1.00 3.30 N ATOM 1481 CA GLU A 96 -18.289 -2.435 3.461 1.00 3.30 C ATOM 1482 C GLU A 96 -19.521 -3.180 3.983 1.00 3.83 C ATOM 1483 O GLU A 96 -20.507 -2.544 4.356 1.00 4.33 O ATOM 1484 CB GLU A 96 -17.973 -2.831 2.006 1.00 3.38 C ATOM 1485 CG GLU A 96 -16.884 -3.888 1.843 1.00 3.76 C ATOM 1486 CD GLU A 96 -17.374 -5.278 2.165 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -18.010 -5.912 1.298 1.00 5.06 O ATOM 1488 OE2 GLU A 96 -17.105 -5.765 3.277 1.00 5.15 O ATOM 0 H GLU A 96 -16.313 -3.002 3.834 1.00 3.30 H new ATOM 0 HA GLU A 96 -18.527 -1.371 3.478 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -18.887 -3.199 1.540 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -17.674 -1.937 1.459 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -16.511 -3.866 0.819 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -16.044 -3.643 2.493 1.00 3.76 H new ATOM 1495 N HIS A 97 -19.459 -4.512 4.043 1.00 4.10 N ATOM 1496 CA HIS A 97 -20.594 -5.301 4.514 1.00 4.81 C ATOM 1497 C HIS A 97 -20.266 -6.794 4.617 1.00 4.91 C ATOM 1498 O HIS A 97 -20.706 -7.454 5.554 1.00 5.78 O ATOM 1499 CB HIS A 97 -21.825 -5.098 3.609 1.00 5.50 C ATOM 1500 CG HIS A 97 -21.625 -5.488 2.172 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -21.911 -6.743 1.680 1.00 5.86 N ATOM 1502 CD2 HIS A 97 -21.167 -4.772 1.119 1.00 5.14 C ATOM 1503 CE1 HIS A 97 -21.635 -6.781 0.391 1.00 5.88 C ATOM 1504 NE2 HIS A 97 -21.182 -5.599 0.027 1.00 5.53 N ATOM 0 H HIS A 97 -18.642 -5.061 3.774 1.00 4.10 H new ATOM 0 HA HIS A 97 -20.823 -4.941 5.517 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -22.655 -5.676 4.015 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -22.118 -4.049 3.648 1.00 5.50 H new ATOM 0 HD2 HIS A 97 -20.849 -3.740 1.136 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -21.759 -7.636 -0.256 1.00 5.88 H new ATOM 0 HE2 HIS A 97 -20.890 -5.341 -0.916 1.00 5.53 H new ATOM 1513 N HIS A 98 -19.483 -7.326 3.677 1.00 4.24 N ATOM 1514 CA HIS A 98 -19.166 -8.753 3.694 1.00 4.57 C ATOM 1515 C HIS A 98 -18.051 -9.072 4.692 1.00 5.57 C ATOM 1516 O HIS A 98 -18.159 -10.036 5.445 1.00 6.29 O ATOM 1517 CB HIS A 98 -18.853 -9.273 2.269 1.00 4.01 C ATOM 1518 CG HIS A 98 -17.410 -9.273 1.856 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -16.766 -8.164 1.363 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -16.502 -10.272 1.824 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -15.525 -8.480 1.046 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -15.336 -9.756 1.314 1.00 5.02 N ATOM 0 H HIS A 98 -19.064 -6.802 2.909 1.00 4.24 H new ATOM 0 HA HIS A 98 -20.050 -9.288 4.040 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -19.231 -10.292 2.188 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -19.412 -8.668 1.555 1.00 4.01 H new ATOM 0 HD1 HIS A 98 -17.183 -7.239 1.258 1.00 4.75 H new ATOM 0 HD2 HIS A 98 -16.663 -11.291 2.142 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -14.788 -7.806 0.636 1.00 5.20 H new ATOM 0 HE2 HIS A 98 -14.469 -10.274 1.167 1.00 5.02 H new ATOM 1531 N HIS A 99 -17.000 -8.245 4.712 1.00 5.88 N ATOM 1532 CA HIS A 99 -15.867 -8.430 5.634 1.00 7.00 C ATOM 1533 C HIS A 99 -15.170 -9.786 5.441 1.00 7.19 C ATOM 1534 O HIS A 99 -15.620 -10.632 4.667 1.00 6.84 O ATOM 1535 CB HIS A 99 -16.331 -8.318 7.095 1.00 7.91 C ATOM 1536 CG HIS A 99 -17.041 -7.044 7.435 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -18.412 -6.948 7.517 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -16.561 -5.818 7.740 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -18.744 -5.716 7.857 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -17.641 -5.007 8.002 1.00 10.32 N ATOM 0 H HIS A 99 -16.908 -7.436 4.098 1.00 5.88 H new ATOM 0 HA HIS A 99 -15.153 -7.639 5.404 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -16.992 -9.156 7.316 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -15.462 -8.418 7.746 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -15.521 -5.528 7.772 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -19.751 -5.350 7.994 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -17.596 -4.022 8.264 1.00 10.32 H new ATOM 1549 N HIS A 100 -14.058 -9.964 6.154 1.00 7.91 N ATOM 1550 CA HIS A 100 -13.273 -11.206 6.132 1.00 8.32 C ATOM 1551 C HIS A 100 -12.729 -11.537 4.736 1.00 8.49 C ATOM 1552 O HIS A 100 -11.611 -11.152 4.406 1.00 8.85 O ATOM 1553 CB HIS A 100 -14.110 -12.369 6.682 1.00 8.84 C ATOM 1554 CG HIS A 100 -13.314 -13.587 7.055 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -13.890 -14.820 7.281 1.00 9.84 N ATOM 1556 CD2 HIS A 100 -11.986 -13.756 7.262 1.00 9.72 C ATOM 1557 CE1 HIS A 100 -12.954 -15.688 7.613 1.00 10.37 C ATOM 1558 NE2 HIS A 100 -11.790 -15.070 7.609 1.00 10.32 N ATOM 0 H HIS A 100 -13.671 -9.248 6.768 1.00 7.91 H new ATOM 0 HA HIS A 100 -12.406 -11.053 6.774 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -14.656 -12.024 7.560 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -14.853 -12.650 5.936 1.00 8.84 H new ATOM 0 HD2 HIS A 100 -11.223 -12.998 7.171 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -13.114 -16.730 7.848 1.00 10.37 H new ATOM 0 HE2 HIS A 100 -10.890 -15.498 7.828 1.00 10.32 H new ATOM 1567 N HIS A 101 -13.504 -12.257 3.928 1.00 8.41 N ATOM 1568 CA HIS A 101 -13.065 -12.627 2.585 1.00 8.73 C ATOM 1569 C HIS A 101 -14.259 -12.949 1.694 1.00 9.24 C ATOM 1570 O HIS A 101 -14.418 -12.363 0.622 1.00 9.03 O ATOM 1571 CB HIS A 101 -12.112 -13.826 2.634 1.00 8.88 C ATOM 1572 CG HIS A 101 -11.363 -14.048 1.353 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -11.652 -15.071 0.476 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -10.333 -13.364 0.803 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -10.831 -15.009 -0.555 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -10.022 -13.983 -0.381 1.00 9.49 N ATOM 0 H HIS A 101 -14.434 -12.594 4.178 1.00 8.41 H new ATOM 0 HA HIS A 101 -12.533 -11.775 2.163 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -11.397 -13.679 3.443 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -12.682 -14.724 2.872 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -9.847 -12.494 1.218 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -10.823 -15.684 -1.398 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -9.284 -13.696 -1.023 1.00 9.49 H new ATOM 1585 N HIS A 102 -15.089 -13.882 2.141 1.00 10.03 N ATOM 1586 CA HIS A 102 -16.272 -14.280 1.390 1.00 10.75 C ATOM 1587 C HIS A 102 -17.466 -13.428 1.798 1.00 11.48 C ATOM 1588 O HIS A 102 -18.096 -12.824 0.911 1.00 11.72 O ATOM 1589 CB HIS A 102 -16.584 -15.762 1.619 1.00 11.25 C ATOM 1590 CG HIS A 102 -17.876 -16.216 1.001 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -19.036 -16.399 1.724 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -18.186 -16.517 -0.283 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -19.998 -16.794 0.915 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -19.511 -16.872 -0.308 1.00 12.14 N ATOM 1595 OXT HIS A 102 -17.761 -13.360 3.010 1.00 11.93 O ATOM 0 H HIS A 102 -14.964 -14.379 3.023 1.00 10.03 H new ATOM 0 HA HIS A 102 -16.072 -14.127 0.329 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -15.769 -16.361 1.214 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -16.619 -15.954 2.691 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -17.515 -16.484 -1.129 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -21.014 -17.016 1.205 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -20.034 -17.151 -1.138 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -1.130 -12.013 -2.340 1.00 1.26 N HETATM 1606 C2A ACO A 103 -1.523 -11.307 -1.206 1.00 1.17 C HETATM 1607 N3A ACO A 103 -0.833 -11.517 -0.012 1.00 1.07 N HETATM 1608 C4A ACO A 103 0.187 -12.395 0.020 1.00 1.07 C HETATM 1609 C5A ACO A 103 0.545 -13.068 -1.086 1.00 1.24 C HETATM 1610 C6A ACO A 103 -0.106 -12.874 -2.243 1.00 1.33 C HETATM 1611 N6A ACO A 103 0.323 -13.568 -3.298 1.00 1.58 N HETATM 1612 N7A ACO A 103 1.570 -13.856 -0.768 1.00 1.38 N HETATM 1613 C8A ACO A 103 1.845 -13.681 0.522 1.00 1.26 C HETATM 1614 N9A ACO A 103 0.995 -12.778 1.003 1.00 1.07 N HETATM 1615 C1B ACO A 103 0.952 -12.280 2.401 1.00 1.03 C HETATM 1616 C2B ACO A 103 1.978 -12.936 3.286 1.00 1.11 C HETATM 1617 O2B ACO A 103 1.468 -14.174 3.808 1.00 1.48 O HETATM 1618 C3B ACO A 103 2.161 -11.936 4.395 1.00 1.01 C HETATM 1619 O3B ACO A 103 1.307 -12.266 5.499 1.00 1.23 O HETATM 1620 P3B ACO A 103 1.415 -11.435 6.871 1.00 1.16 P HETATM 1621 O7A ACO A 103 0.300 -10.278 6.769 1.00 1.71 O HETATM 1622 O8A ACO A 103 2.846 -10.707 6.883 1.00 1.81 O HETATM 1623 O9A ACO A 103 1.214 -12.288 8.062 1.00 2.04 O HETATM 1624 C4B ACO A 103 1.737 -10.604 3.786 1.00 1.04 C HETATM 1625 O4B ACO A 103 1.292 -10.880 2.435 1.00 1.04 O HETATM 1626 C5B ACO A 103 2.923 -9.653 3.755 1.00 1.18 C HETATM 1627 O5B ACO A 103 3.906 -10.148 2.839 1.00 1.28 O HETATM 1628 P1A ACO A 103 5.051 -9.173 2.269 1.00 1.52 P HETATM 1629 O1A ACO A 103 4.828 -7.797 2.767 1.00 2.30 O HETATM 1630 O2A ACO A 103 6.387 -9.773 2.512 1.00 2.20 O HETATM 1631 O3A ACO A 103 4.802 -9.192 0.681 1.00 1.44 O HETATM 1632 P2A ACO A 103 4.974 -10.560 -0.150 1.00 1.59 P HETATM 1633 O4A ACO A 103 3.792 -11.435 0.069 1.00 2.35 O HETATM 1634 O5A ACO A 103 6.311 -11.135 0.115 1.00 2.24 O HETATM 1635 O6A ACO A 103 4.921 -10.061 -1.680 1.00 1.29 O HETATM 1636 CBP ACO A 103 3.816 -9.473 -3.758 1.00 0.94 C HETATM 1637 CCP ACO A 103 3.786 -10.351 -2.504 1.00 1.05 C HETATM 1638 CDP ACO A 103 2.610 -9.811 -4.645 1.00 1.01 C HETATM 1639 CEP ACO A 103 3.756 -7.994 -3.347 1.00 0.88 C HETATM 1640 CAP ACO A 103 5.120 -9.741 -4.522 1.00 0.97 C HETATM 1641 OAP ACO A 103 5.129 -11.091 -4.992 1.00 1.11 O HETATM 1642 C9P ACO A 103 5.244 -8.788 -5.714 1.00 0.94 C HETATM 1643 O9P ACO A 103 6.110 -7.916 -5.735 1.00 0.99 O HETATM 1644 N8P ACO A 103 4.354 -8.981 -6.697 1.00 1.53 N HETATM 1645 C7P ACO A 103 3.730 -7.859 -7.411 1.00 1.93 C HETATM 1646 C6P ACO A 103 4.741 -7.227 -8.372 1.00 2.42 C HETATM 1647 C5P ACO A 103 4.528 -5.710 -8.439 1.00 2.41 C HETATM 1648 O5P ACO A 103 5.483 -4.942 -8.555 1.00 3.30 O HETATM 1649 N4P ACO A 103 3.251 -5.310 -8.367 1.00 1.79 N HETATM 1650 C3P ACO A 103 2.457 -5.032 -9.572 1.00 2.18 C HETATM 1651 C2P ACO A 103 1.741 -6.303 -10.030 1.00 2.07 C HETATM 1652 S1P ACO A 103 -0.002 -6.346 -9.469 1.00 2.13 S HETATM 1653 C ACO A 103 0.219 -6.033 -7.732 1.00 1.95 C HETATM 1654 O ACO A 103 0.518 -4.712 -7.277 1.00 1.49 O HETATM 1655 CH3 ACO A 103 0.086 -7.177 -6.727 1.00 3.07 C HETATM 0 HO2A ACO A 103 0.998 -14.005 4.651 1.00 1.48 H new HETATM 0 HH33 ACO A 103 -0.915 -7.604 -6.792 1.00 3.07 H new HETATM 0 HH32 ACO A 103 0.824 -7.947 -6.952 1.00 3.07 H new HETATM 0 HH31 ACO A 103 0.253 -6.797 -5.719 1.00 3.07 H new HETATM 0 H62A ACO A 103 1.104 -14.217 -3.198 1.00 1.58 H new HETATM 0 H61A ACO A 103 -0.130 -13.450 -4.204 1.00 1.58 H new HETATM 0 H52A ACO A 103 2.597 -8.658 3.453 1.00 1.18 H new HETATM 0 H51A ACO A 103 3.354 -9.559 4.752 1.00 1.18 H new HETATM 0 H143 ACO A 103 2.835 -7.807 -2.794 1.00 0.88 H new HETATM 0 H142 ACO A 103 4.613 -7.757 -2.716 1.00 0.88 H new HETATM 0 H141 ACO A 103 3.777 -7.367 -4.239 1.00 0.88 H new HETATM 0 H133 ACO A 103 2.654 -10.861 -4.935 1.00 1.01 H new HETATM 0 H132 ACO A 103 1.689 -9.625 -4.093 1.00 1.01 H new HETATM 0 H131 ACO A 103 2.629 -9.187 -5.539 1.00 1.01 H new HETATM 0 H122 ACO A 103 3.790 -11.404 -2.786 1.00 1.05 H new HETATM 0 H121 ACO A 103 2.866 -10.174 -1.947 1.00 1.05 H new HETATM 0 HO1 ACO A 103 5.961 -11.262 -5.481 1.00 1.11 H new HETATM 0 HN8 ACO A 103 4.102 -9.935 -6.957 1.00 1.53 H new HETATM 0 HN4 ACO A 103 2.818 -5.195 -7.451 1.00 1.79 H new HETATM 0 H8A ACO A 103 2.628 -14.188 1.085 1.00 1.26 H new HETATM 0 H72 ACO A 103 2.858 -8.208 -7.964 1.00 1.93 H new HETATM 0 H71 ACO A 103 3.377 -7.114 -6.698 1.00 1.93 H new HETATM 0 H62 ACO A 103 5.756 -7.445 -8.039 1.00 2.42 H new HETATM 0 H61 ACO A 103 4.631 -7.662 -9.365 1.00 2.42 H new HETATM 0 H4B ACO A 103 0.943 -10.140 4.371 1.00 1.04 H new HETATM 0 H3B ACO A 103 3.184 -11.914 4.772 1.00 1.01 H new HETATM 0 H32 ACO A 103 1.728 -4.249 -9.365 1.00 2.18 H new HETATM 0 H31 ACO A 103 3.105 -4.663 -10.367 1.00 2.18 H new HETATM 0 H2B ACO A 103 2.905 -13.178 2.767 1.00 1.11 H new HETATM 0 H2A ACO A 103 -2.354 -10.603 -1.250 1.00 1.17 H new HETATM 0 H22 ACO A 103 1.774 -6.366 -11.118 1.00 2.07 H new HETATM 0 H21 ACO A 103 2.268 -7.176 -9.644 1.00 2.07 H new HETATM 0 H1B ACO A 103 -0.057 -12.494 2.753 1.00 1.03 H new HETATM 0 H10 ACO A 103 5.962 -9.578 -3.849 1.00 0.97 H new