USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1366 hydrogens (28 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 145 SER OG : rot 103:sc= 1.41 USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= -0.392 USER MOD Set 2.1: A 118 CYS SG : rot 126:sc= 0.206 USER MOD Set 2.2: A 150 GLN : amide:sc= 0.233 K(o=0.44,f=-1) USER MOD Set 3.1: A 72 MET CE :methyl 147:sc= 0 (180deg=-0.711) USER MOD Set 3.2: A 99 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Set 4.1: A 25 GLN : amide:sc= 0.39 K(o=-1,f=-5.3) USER MOD Set 4.2: A 27 HIS : no HD1:sc= -1.4 K(o=-1,f=-3.8!) USER MOD Set 5.1: A 16 LYS NZ :NH3+ -169:sc= 1.7 (180deg=0.787) USER MOD Set 5.2: A 58 THR OG1 : rot -88:sc= 1.88 USER MOD Single : A 1 MET CE :methyl -167:sc=-0.00617 (180deg=-0.209) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 165:sc= 1.02 USER MOD Single : A 5 LYS NZ :NH3+ 133:sc= 1.1 (180deg=0.548) USER MOD Single : A 20 THR OG1 : rot -160:sc= 0.00875 USER MOD Single : A 22 GLN : amide:sc= 0.733 K(o=0.73,f=-2.4!) USER MOD Single : A 26 ASN : amide:sc= -0.0253 K(o=-0.025,f=-3.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -94:sc= 1.26 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0.0145 (180deg=0.00779) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 51 CYS SG : rot 48:sc= 0.842 USER MOD Single : A 61 GLN : amide:sc= -0.0173 K(o=-0.017,f=-0.67) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.14 USER MOD Single : A 67 MET CE :methyl -116:sc= -0.164 (180deg=-0.583) USER MOD Single : A 70 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.078) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.6!) USER MOD Single : A 86 ASN : amide:sc= 0.723 K(o=0.72,f=-6.4!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 88 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0757) USER MOD Single : A 89 SER OG : rot -62:sc= 1.72 USER MOD Single : A 94 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=-0.00057) USER MOD Single : A 95 HIS : no HE2:sc= 0.675 K(o=0.67,f=-4.9!) USER MOD Single : A 96 TYR OH : rot 162:sc= 0.241 USER MOD Single : A 101 LYS NZ :NH3+ -156:sc= 1.16 (180deg=1.06) USER MOD Single : A 104 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.16) USER MOD Single : A 106 SER OG : rot 180:sc=-0.000111 USER MOD Single : A 111 MET CE :methyl 124:sc=-0.00152 (180deg=-1.22) USER MOD Single : A 116 ASN : amide:sc= 1.71 K(o=1.7,f=-3.9!) USER MOD Single : A 117 LYS NZ :NH3+ -160:sc= 0.787 (180deg=0.517) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -69:sc= 1.16 USER MOD Single : A 128 LYS NZ :NH3+ -137:sc= 1.19 (180deg=0.875) USER MOD Single : A 129 GLN : amide:sc= -0.557 K(o=-0.56,f=0) USER MOD Single : A 131 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.2) USER MOD Single : A 136 SER OG : rot 53:sc= 1.24 USER MOD Single : A 137 TYR OH : rot 30:sc= -0.0774 USER MOD Single : A 144 THR OG1 : rot 170:sc= -0.0776 USER MOD Single : A 147 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.13) USER MOD Single : A 157 TYR OH : rot 77:sc= 1.22 USER MOD Single : A 158 THR OG1 : rot 72:sc= 1.31 USER MOD Single : A 165 LYS NZ :NH3+ -117:sc= 0.555 (180deg=-0.288!) USER MOD Single : A 166 HIS : no HE2:sc= 1.05 K(o=1,f=-5.9!) USER MOD Single : A 167 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.24) USER MOD Single : A 169 LYS NZ :NH3+ 150:sc= -0.239 (180deg=-0.808) USER MOD Single : A 201 GDP O2' : rot 162:sc= 1.15 USER MOD Single : A 201 GDP O3' : rot -151:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.582 9.869 8.037 1.00 0.55 N ATOM 2 CA MET A 1 18.201 9.700 7.537 1.00 0.44 C ATOM 3 C MET A 1 18.092 8.431 6.696 1.00 0.43 C ATOM 4 O MET A 1 18.585 8.369 5.567 1.00 0.60 O ATOM 5 CB MET A 1 17.779 10.919 6.709 1.00 0.50 C ATOM 6 CG MET A 1 16.378 10.807 6.126 1.00 0.53 C ATOM 7 SD MET A 1 15.924 12.229 5.111 1.00 1.04 S ATOM 8 CE MET A 1 15.764 13.505 6.357 1.00 1.48 C ATOM 0 H1 MET A 1 19.641 10.737 8.608 1.00 0.55 H new ATOM 0 H2 MET A 1 19.841 9.050 8.624 1.00 0.55 H new ATOM 0 H3 MET A 1 20.237 9.939 7.232 1.00 0.55 H new ATOM 0 HA MET A 1 17.533 9.611 8.394 1.00 0.44 H new ATOM 0 HB2 MET A 1 17.832 11.809 7.336 1.00 0.50 H new ATOM 0 HB3 MET A 1 18.491 11.059 5.896 1.00 0.50 H new ATOM 0 HG2 MET A 1 16.312 9.901 5.524 1.00 0.53 H new ATOM 0 HG3 MET A 1 15.659 10.703 6.939 1.00 0.53 H new ATOM 0 HE1 MET A 1 15.269 14.375 5.925 1.00 1.48 H new ATOM 0 HE2 MET A 1 15.172 13.127 7.191 1.00 1.48 H new ATOM 0 HE3 MET A 1 16.753 13.791 6.714 1.00 1.48 H new ATOM 20 N THR A 2 17.466 7.411 7.259 1.00 0.36 N ATOM 21 CA THR A 2 17.285 6.148 6.565 1.00 0.41 C ATOM 22 C THR A 2 16.175 6.258 5.526 1.00 0.33 C ATOM 23 O THR A 2 15.062 6.688 5.834 1.00 0.35 O ATOM 24 CB THR A 2 16.955 5.015 7.561 1.00 0.57 C ATOM 25 OG1 THR A 2 17.969 4.948 8.576 1.00 1.04 O ATOM 26 CG2 THR A 2 16.858 3.673 6.851 1.00 0.91 C ATOM 0 H THR A 2 17.073 7.434 8.200 1.00 0.36 H new ATOM 0 HA THR A 2 18.221 5.910 6.060 1.00 0.41 H new ATOM 0 HB THR A 2 15.990 5.235 8.018 1.00 0.57 H new ATOM 0 HG1 THR A 2 17.754 4.229 9.206 1.00 1.04 H new ATOM 0 HG21 THR A 2 16.625 2.894 7.576 1.00 0.91 H new ATOM 0 HG22 THR A 2 16.071 3.716 6.098 1.00 0.91 H new ATOM 0 HG23 THR A 2 17.809 3.447 6.369 1.00 0.91 H new ATOM 34 N GLU A 3 16.490 5.885 4.293 1.00 0.31 N ATOM 35 CA GLU A 3 15.523 5.942 3.210 1.00 0.26 C ATOM 36 C GLU A 3 14.830 4.592 3.049 1.00 0.24 C ATOM 37 O GLU A 3 15.482 3.546 3.081 1.00 0.37 O ATOM 38 CB GLU A 3 16.225 6.340 1.911 1.00 0.37 C ATOM 39 CG GLU A 3 15.316 6.358 0.693 1.00 0.42 C ATOM 40 CD GLU A 3 16.083 6.536 -0.599 1.00 0.62 C ATOM 41 OE1 GLU A 3 15.604 7.276 -1.484 1.00 1.15 O ATOM 42 OE2 GLU A 3 17.176 5.944 -0.742 1.00 1.27 O ATOM 0 H GLU A 3 17.410 5.539 4.020 1.00 0.31 H new ATOM 0 HA GLU A 3 14.767 6.691 3.446 1.00 0.26 H new ATOM 0 HB2 GLU A 3 16.665 7.329 2.037 1.00 0.37 H new ATOM 0 HB3 GLU A 3 17.046 5.647 1.728 1.00 0.37 H new ATOM 0 HG2 GLU A 3 14.751 5.427 0.651 1.00 0.42 H new ATOM 0 HG3 GLU A 3 14.592 7.166 0.796 1.00 0.42 H new ATOM 49 N TYR A 4 13.512 4.620 2.902 1.00 0.19 N ATOM 50 CA TYR A 4 12.724 3.405 2.731 1.00 0.25 C ATOM 51 C TYR A 4 11.934 3.467 1.431 1.00 0.21 C ATOM 52 O TYR A 4 11.213 4.432 1.179 1.00 0.21 O ATOM 53 CB TYR A 4 11.751 3.219 3.898 1.00 0.37 C ATOM 54 CG TYR A 4 12.402 2.877 5.222 1.00 0.53 C ATOM 55 CD1 TYR A 4 12.575 1.551 5.617 1.00 0.91 C ATOM 56 CD2 TYR A 4 12.832 3.877 6.085 1.00 0.78 C ATOM 57 CE1 TYR A 4 13.156 1.240 6.831 1.00 1.06 C ATOM 58 CE2 TYR A 4 13.412 3.570 7.297 1.00 0.93 C ATOM 59 CZ TYR A 4 13.572 2.252 7.666 1.00 0.91 C ATOM 60 OH TYR A 4 14.151 1.951 8.875 1.00 1.11 O ATOM 0 H TYR A 4 12.961 5.479 2.898 1.00 0.19 H new ATOM 0 HA TYR A 4 13.413 2.561 2.702 1.00 0.25 H new ATOM 0 HB2 TYR A 4 11.173 4.135 4.020 1.00 0.37 H new ATOM 0 HB3 TYR A 4 11.046 2.429 3.642 1.00 0.37 H new ATOM 0 HD1 TYR A 4 12.250 0.755 4.964 1.00 0.91 H new ATOM 0 HD2 TYR A 4 12.710 4.912 5.802 1.00 0.78 H new ATOM 0 HE1 TYR A 4 13.283 0.208 7.123 1.00 1.06 H new ATOM 0 HE2 TYR A 4 13.740 4.360 7.956 1.00 0.93 H new ATOM 0 HH TYR A 4 14.599 2.747 9.230 1.00 1.11 H new ATOM 70 N LYS A 5 12.062 2.431 0.618 1.00 0.24 N ATOM 71 CA LYS A 5 11.355 2.364 -0.649 1.00 0.26 C ATOM 72 C LYS A 5 10.117 1.493 -0.506 1.00 0.24 C ATOM 73 O LYS A 5 10.214 0.270 -0.358 1.00 0.29 O ATOM 74 CB LYS A 5 12.270 1.816 -1.744 1.00 0.40 C ATOM 75 CG LYS A 5 13.403 2.751 -2.121 1.00 0.81 C ATOM 76 CD LYS A 5 14.139 2.263 -3.360 1.00 0.65 C ATOM 77 CE LYS A 5 13.403 2.631 -4.640 1.00 0.62 C ATOM 78 NZ LYS A 5 13.307 4.102 -4.834 1.00 0.71 N ATOM 0 H LYS A 5 12.652 1.622 0.815 1.00 0.24 H new ATOM 0 HA LYS A 5 11.047 3.370 -0.933 1.00 0.26 H new ATOM 0 HB2 LYS A 5 12.690 0.867 -1.412 1.00 0.40 H new ATOM 0 HB3 LYS A 5 11.673 1.607 -2.632 1.00 0.40 H new ATOM 0 HG2 LYS A 5 13.007 3.750 -2.302 1.00 0.81 H new ATOM 0 HG3 LYS A 5 14.102 2.831 -1.289 1.00 0.81 H new ATOM 0 HD2 LYS A 5 15.140 2.694 -3.380 1.00 0.65 H new ATOM 0 HD3 LYS A 5 14.258 1.181 -3.308 1.00 0.65 H new ATOM 0 HE2 LYS A 5 13.918 2.187 -5.492 1.00 0.62 H new ATOM 0 HE3 LYS A 5 12.400 2.204 -4.615 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 13.573 4.342 -5.810 1.00 0.71 H new ATOM 0 HZ2 LYS A 5 12.331 4.413 -4.655 1.00 0.71 H new ATOM 0 HZ3 LYS A 5 13.950 4.582 -4.172 1.00 0.71 H new ATOM 92 N LEU A 6 8.957 2.121 -0.531 1.00 0.26 N ATOM 93 CA LEU A 6 7.697 1.406 -0.387 1.00 0.33 C ATOM 94 C LEU A 6 6.768 1.693 -1.564 1.00 0.27 C ATOM 95 O LEU A 6 6.792 2.775 -2.151 1.00 0.29 O ATOM 96 CB LEU A 6 7.013 1.792 0.930 1.00 0.45 C ATOM 97 CG LEU A 6 7.048 3.281 1.269 1.00 0.70 C ATOM 98 CD1 LEU A 6 5.645 3.800 1.541 1.00 1.39 C ATOM 99 CD2 LEU A 6 7.965 3.533 2.461 1.00 1.08 C ATOM 0 H LEU A 6 8.858 3.129 -0.650 1.00 0.26 H new ATOM 0 HA LEU A 6 7.914 0.338 -0.374 1.00 0.33 H new ATOM 0 HB2 LEU A 6 5.973 1.470 0.889 1.00 0.45 H new ATOM 0 HB3 LEU A 6 7.486 1.240 1.742 1.00 0.45 H new ATOM 0 HG LEU A 6 7.447 3.824 0.412 1.00 0.70 H new ATOM 0 HD11 LEU A 6 5.690 4.862 1.781 1.00 1.39 H new ATOM 0 HD12 LEU A 6 5.025 3.654 0.656 1.00 1.39 H new ATOM 0 HD13 LEU A 6 5.213 3.257 2.381 1.00 1.39 H new ATOM 0 HD21 LEU A 6 7.979 4.599 2.690 1.00 1.08 H new ATOM 0 HD22 LEU A 6 7.598 2.981 3.326 1.00 1.08 H new ATOM 0 HD23 LEU A 6 8.975 3.200 2.220 1.00 1.08 H new ATOM 111 N VAL A 7 5.946 0.714 -1.904 1.00 0.26 N ATOM 112 CA VAL A 7 5.016 0.849 -3.014 1.00 0.26 C ATOM 113 C VAL A 7 3.591 0.540 -2.569 1.00 0.30 C ATOM 114 O VAL A 7 3.342 -0.462 -1.891 1.00 0.39 O ATOM 115 CB VAL A 7 5.382 -0.090 -4.185 1.00 0.32 C ATOM 116 CG1 VAL A 7 4.538 0.226 -5.410 1.00 0.81 C ATOM 117 CG2 VAL A 7 6.864 0.005 -4.515 1.00 0.74 C ATOM 0 H VAL A 7 5.904 -0.186 -1.426 1.00 0.26 H new ATOM 0 HA VAL A 7 5.083 1.882 -3.354 1.00 0.26 H new ATOM 0 HB VAL A 7 5.169 -1.114 -3.877 1.00 0.32 H new ATOM 0 HG11 VAL A 7 4.811 -0.446 -6.223 1.00 0.81 H new ATOM 0 HG12 VAL A 7 3.483 0.094 -5.169 1.00 0.81 H new ATOM 0 HG13 VAL A 7 4.714 1.257 -5.717 1.00 0.81 H new ATOM 0 HG21 VAL A 7 7.096 -0.665 -5.342 1.00 0.74 H new ATOM 0 HG22 VAL A 7 7.109 1.029 -4.798 1.00 0.74 H new ATOM 0 HG23 VAL A 7 7.450 -0.280 -3.641 1.00 0.74 H new ATOM 127 N VAL A 8 2.667 1.414 -2.934 1.00 0.28 N ATOM 128 CA VAL A 8 1.267 1.210 -2.607 1.00 0.33 C ATOM 129 C VAL A 8 0.596 0.455 -3.746 1.00 0.37 C ATOM 130 O VAL A 8 0.566 0.934 -4.886 1.00 0.41 O ATOM 131 CB VAL A 8 0.525 2.537 -2.363 1.00 0.37 C ATOM 132 CG1 VAL A 8 -0.864 2.288 -1.797 1.00 0.44 C ATOM 133 CG2 VAL A 8 1.319 3.436 -1.432 1.00 0.37 C ATOM 0 H VAL A 8 2.861 2.269 -3.455 1.00 0.28 H new ATOM 0 HA VAL A 8 1.220 0.635 -1.682 1.00 0.33 H new ATOM 0 HB VAL A 8 0.419 3.041 -3.324 1.00 0.37 H new ATOM 0 HG11 VAL A 8 -1.367 3.241 -1.634 1.00 0.44 H new ATOM 0 HG12 VAL A 8 -1.442 1.689 -2.501 1.00 0.44 H new ATOM 0 HG13 VAL A 8 -0.781 1.755 -0.850 1.00 0.44 H new ATOM 0 HG21 VAL A 8 0.775 4.367 -1.274 1.00 0.37 H new ATOM 0 HG22 VAL A 8 1.463 2.933 -0.476 1.00 0.37 H new ATOM 0 HG23 VAL A 8 2.290 3.654 -1.877 1.00 0.37 H new ATOM 143 N VAL A 9 0.072 -0.721 -3.447 1.00 0.40 N ATOM 144 CA VAL A 9 -0.567 -1.534 -4.465 1.00 0.46 C ATOM 145 C VAL A 9 -2.049 -1.732 -4.166 1.00 0.52 C ATOM 146 O VAL A 9 -2.487 -1.592 -3.022 1.00 0.70 O ATOM 147 CB VAL A 9 0.119 -2.912 -4.613 1.00 0.49 C ATOM 148 CG1 VAL A 9 1.576 -2.741 -5.017 1.00 0.51 C ATOM 149 CG2 VAL A 9 0.010 -3.723 -3.329 1.00 0.59 C ATOM 0 H VAL A 9 0.076 -1.132 -2.513 1.00 0.40 H new ATOM 0 HA VAL A 9 -0.464 -0.993 -5.406 1.00 0.46 H new ATOM 0 HB VAL A 9 -0.398 -3.462 -5.400 1.00 0.49 H new ATOM 0 HG11 VAL A 9 2.043 -3.721 -5.117 1.00 0.51 H new ATOM 0 HG12 VAL A 9 1.630 -2.215 -5.970 1.00 0.51 H new ATOM 0 HG13 VAL A 9 2.100 -2.165 -4.254 1.00 0.51 H new ATOM 0 HG21 VAL A 9 0.502 -4.686 -3.464 1.00 0.59 H new ATOM 0 HG22 VAL A 9 0.491 -3.181 -2.515 1.00 0.59 H new ATOM 0 HG23 VAL A 9 -1.041 -3.883 -3.088 1.00 0.59 H new ATOM 159 N GLY A 10 -2.811 -2.043 -5.198 1.00 0.44 N ATOM 160 CA GLY A 10 -4.230 -2.260 -5.045 1.00 0.51 C ATOM 161 C GLY A 10 -4.934 -2.136 -6.371 1.00 0.51 C ATOM 162 O GLY A 10 -4.304 -1.807 -7.380 1.00 0.53 O ATOM 0 H GLY A 10 -2.466 -2.150 -6.152 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -4.408 -3.250 -4.624 1.00 0.51 H new ATOM 0 HA3 GLY A 10 -4.640 -1.536 -4.341 1.00 0.51 H new ATOM 166 N ALA A 11 -6.229 -2.388 -6.379 1.00 0.52 N ATOM 167 CA ALA A 11 -7.014 -2.308 -7.605 1.00 0.53 C ATOM 168 C ALA A 11 -7.243 -0.863 -8.025 1.00 0.50 C ATOM 169 O ALA A 11 -6.915 0.070 -7.291 1.00 0.50 O ATOM 170 CB ALA A 11 -8.345 -3.024 -7.436 1.00 0.58 C ATOM 0 H ALA A 11 -6.764 -2.651 -5.551 1.00 0.52 H new ATOM 0 HA ALA A 11 -6.446 -2.802 -8.393 1.00 0.53 H new ATOM 0 HB1 ALA A 11 -8.916 -2.953 -8.362 1.00 0.58 H new ATOM 0 HB2 ALA A 11 -8.166 -4.073 -7.199 1.00 0.58 H new ATOM 0 HB3 ALA A 11 -8.908 -2.560 -6.626 1.00 0.58 H new ATOM 176 N GLY A 12 -7.813 -0.681 -9.202 1.00 0.55 N ATOM 177 CA GLY A 12 -8.071 0.650 -9.698 1.00 0.54 C ATOM 178 C GLY A 12 -9.291 1.273 -9.055 1.00 0.54 C ATOM 179 O GLY A 12 -10.388 0.719 -9.130 1.00 0.80 O ATOM 0 H GLY A 12 -8.103 -1.435 -9.825 1.00 0.55 H new ATOM 0 HA2 GLY A 12 -7.202 1.280 -9.511 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -8.211 0.613 -10.778 1.00 0.54 H new ATOM 183 N GLY A 13 -9.096 2.415 -8.403 1.00 0.34 N ATOM 184 CA GLY A 13 -10.199 3.101 -7.761 1.00 0.40 C ATOM 185 C GLY A 13 -10.256 2.872 -6.267 1.00 0.40 C ATOM 186 O GLY A 13 -11.171 3.361 -5.598 1.00 0.42 O ATOM 0 H GLY A 13 -8.192 2.877 -8.309 1.00 0.34 H new ATOM 0 HA2 GLY A 13 -10.115 4.170 -7.955 1.00 0.40 H new ATOM 0 HA3 GLY A 13 -11.135 2.768 -8.209 1.00 0.40 H new ATOM 190 N VAL A 14 -9.285 2.145 -5.722 1.00 0.39 N ATOM 191 CA VAL A 14 -9.274 1.879 -4.286 1.00 0.41 C ATOM 192 C VAL A 14 -8.894 3.129 -3.499 1.00 0.44 C ATOM 193 O VAL A 14 -9.313 3.300 -2.356 1.00 0.57 O ATOM 194 CB VAL A 14 -8.336 0.717 -3.899 1.00 0.42 C ATOM 195 CG1 VAL A 14 -8.838 -0.589 -4.481 1.00 0.41 C ATOM 196 CG2 VAL A 14 -6.915 0.985 -4.347 1.00 0.43 C ATOM 0 H VAL A 14 -8.508 1.736 -6.241 1.00 0.39 H new ATOM 0 HA VAL A 14 -10.290 1.582 -4.027 1.00 0.41 H new ATOM 0 HB VAL A 14 -8.335 0.637 -2.812 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -8.163 -1.397 -4.197 1.00 0.41 H new ATOM 0 HG12 VAL A 14 -9.837 -0.798 -4.097 1.00 0.41 H new ATOM 0 HG13 VAL A 14 -8.876 -0.512 -5.568 1.00 0.41 H new ATOM 0 HG21 VAL A 14 -6.279 0.148 -4.059 1.00 0.43 H new ATOM 0 HG22 VAL A 14 -6.891 1.103 -5.430 1.00 0.43 H new ATOM 0 HG23 VAL A 14 -6.550 1.897 -3.874 1.00 0.43 H new ATOM 206 N GLY A 15 -8.095 4.003 -4.110 1.00 0.39 N ATOM 207 CA GLY A 15 -7.712 5.233 -3.440 1.00 0.42 C ATOM 208 C GLY A 15 -6.227 5.353 -3.150 1.00 0.43 C ATOM 209 O GLY A 15 -5.835 6.155 -2.310 1.00 0.49 O ATOM 0 H GLY A 15 -7.710 3.882 -5.047 1.00 0.39 H new ATOM 0 HA2 GLY A 15 -8.019 6.078 -4.056 1.00 0.42 H new ATOM 0 HA3 GLY A 15 -8.260 5.307 -2.501 1.00 0.42 H new ATOM 213 N LYS A 16 -5.398 4.585 -3.858 1.00 0.41 N ATOM 214 CA LYS A 16 -3.946 4.614 -3.648 1.00 0.45 C ATOM 215 C LYS A 16 -3.385 6.038 -3.735 1.00 0.47 C ATOM 216 O LYS A 16 -2.724 6.508 -2.810 1.00 0.58 O ATOM 217 CB LYS A 16 -3.231 3.715 -4.667 1.00 0.46 C ATOM 218 CG LYS A 16 -3.669 2.256 -4.618 1.00 0.65 C ATOM 219 CD LYS A 16 -2.927 1.406 -5.638 1.00 0.79 C ATOM 220 CE LYS A 16 -3.463 1.621 -7.041 1.00 0.78 C ATOM 221 NZ LYS A 16 -2.897 0.642 -8.005 1.00 0.81 N ATOM 0 H LYS A 16 -5.705 3.935 -4.582 1.00 0.41 H new ATOM 0 HA LYS A 16 -3.762 4.237 -2.642 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -3.410 4.104 -5.669 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -2.156 3.768 -4.492 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -3.495 1.858 -3.618 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -4.741 2.192 -4.804 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -1.865 1.650 -5.612 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -3.018 0.353 -5.370 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -4.550 1.535 -7.032 1.00 0.78 H new ATOM 0 HE3 LYS A 16 -3.226 2.633 -7.369 1.00 0.78 H new ATOM 0 HZ1 LYS A 16 -3.137 0.931 -8.975 1.00 0.81 H new ATOM 0 HZ2 LYS A 16 -1.863 0.609 -7.899 1.00 0.81 H new ATOM 0 HZ3 LYS A 16 -3.295 -0.300 -7.817 1.00 0.81 H new ATOM 235 N SER A 17 -3.682 6.724 -4.839 1.00 0.40 N ATOM 236 CA SER A 17 -3.194 8.085 -5.065 1.00 0.41 C ATOM 237 C SER A 17 -3.691 9.058 -3.990 1.00 0.40 C ATOM 238 O SER A 17 -2.971 9.972 -3.588 1.00 0.58 O ATOM 239 CB SER A 17 -3.635 8.571 -6.453 1.00 0.43 C ATOM 240 OG SER A 17 -3.685 7.494 -7.394 1.00 0.44 O ATOM 0 H SER A 17 -4.261 6.357 -5.594 1.00 0.40 H new ATOM 0 HA SER A 17 -2.106 8.060 -5.009 1.00 0.41 H new ATOM 0 HB2 SER A 17 -4.617 9.039 -6.381 1.00 0.43 H new ATOM 0 HB3 SER A 17 -2.944 9.335 -6.809 1.00 0.43 H new ATOM 246 N ALA A 18 -4.912 8.842 -3.514 1.00 0.41 N ATOM 247 CA ALA A 18 -5.499 9.708 -2.502 1.00 0.40 C ATOM 248 C ALA A 18 -4.757 9.594 -1.181 1.00 0.41 C ATOM 249 O ALA A 18 -4.524 10.600 -0.505 1.00 0.43 O ATOM 250 CB ALA A 18 -6.972 9.380 -2.305 1.00 0.43 C ATOM 0 H ALA A 18 -5.513 8.074 -3.813 1.00 0.41 H new ATOM 0 HA ALA A 18 -5.411 10.736 -2.854 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -7.393 10.038 -1.545 1.00 0.43 H new ATOM 0 HB2 ALA A 18 -7.506 9.523 -3.245 1.00 0.43 H new ATOM 0 HB3 ALA A 18 -7.074 8.343 -1.984 1.00 0.43 H new ATOM 256 N LEU A 19 -4.380 8.374 -0.820 1.00 0.44 N ATOM 257 CA LEU A 19 -3.668 8.131 0.426 1.00 0.50 C ATOM 258 C LEU A 19 -2.312 8.831 0.423 1.00 0.48 C ATOM 259 O LEU A 19 -1.880 9.376 1.439 1.00 0.51 O ATOM 260 CB LEU A 19 -3.477 6.629 0.650 1.00 0.60 C ATOM 261 CG LEU A 19 -4.724 5.766 0.424 1.00 0.76 C ATOM 262 CD1 LEU A 19 -4.427 4.301 0.711 1.00 0.92 C ATOM 263 CD2 LEU A 19 -5.885 6.257 1.276 1.00 0.79 C ATOM 0 H LEU A 19 -4.556 7.536 -1.375 1.00 0.44 H new ATOM 0 HA LEU A 19 -4.268 8.538 1.240 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -2.688 6.277 -0.014 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -3.128 6.473 1.671 1.00 0.60 H new ATOM 0 HG LEU A 19 -5.011 5.856 -0.624 1.00 0.76 H new ATOM 0 HD11 LEU A 19 -5.326 3.708 0.544 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -3.635 3.954 0.048 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -4.107 4.191 1.747 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -6.758 5.629 1.098 1.00 0.79 H new ATOM 0 HD22 LEU A 19 -5.610 6.206 2.330 1.00 0.79 H new ATOM 0 HD23 LEU A 19 -6.120 7.288 1.012 1.00 0.79 H new ATOM 275 N THR A 20 -1.646 8.816 -0.725 1.00 0.49 N ATOM 276 CA THR A 20 -0.350 9.453 -0.858 1.00 0.54 C ATOM 277 C THR A 20 -0.467 10.970 -0.708 1.00 0.49 C ATOM 278 O THR A 20 0.287 11.592 0.045 1.00 0.50 O ATOM 279 CB THR A 20 0.284 9.131 -2.222 1.00 0.64 C ATOM 280 OG1 THR A 20 0.015 7.768 -2.565 1.00 0.89 O ATOM 281 CG2 THR A 20 1.785 9.358 -2.190 1.00 0.74 C ATOM 0 H THR A 20 -1.986 8.368 -1.576 1.00 0.49 H new ATOM 0 HA THR A 20 0.286 9.061 -0.064 1.00 0.54 H new ATOM 0 HB THR A 20 -0.150 9.795 -2.969 1.00 0.64 H new ATOM 0 HG1 THR A 20 0.656 7.469 -3.243 1.00 0.89 H new ATOM 0 HG21 THR A 20 2.209 9.123 -3.166 1.00 0.74 H new ATOM 0 HG22 THR A 20 1.990 10.400 -1.946 1.00 0.74 H new ATOM 0 HG23 THR A 20 2.234 8.713 -1.435 1.00 0.74 H new ATOM 289 N ILE A 21 -1.433 11.556 -1.405 1.00 0.48 N ATOM 290 CA ILE A 21 -1.646 12.998 -1.362 1.00 0.50 C ATOM 291 C ILE A 21 -2.089 13.452 0.030 1.00 0.43 C ATOM 292 O ILE A 21 -1.705 14.526 0.498 1.00 0.43 O ATOM 293 CB ILE A 21 -2.677 13.444 -2.424 1.00 0.59 C ATOM 294 CG1 ILE A 21 -2.110 13.215 -3.827 1.00 0.63 C ATOM 295 CG2 ILE A 21 -3.062 14.908 -2.238 1.00 0.79 C ATOM 296 CD1 ILE A 21 -3.081 13.550 -4.938 1.00 0.76 C ATOM 0 H ILE A 21 -2.083 11.053 -2.009 1.00 0.48 H new ATOM 0 HA ILE A 21 -0.692 13.473 -1.590 1.00 0.50 H new ATOM 0 HB ILE A 21 -3.579 12.845 -2.300 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -1.210 13.818 -3.949 1.00 0.63 H new ATOM 0 HG13 ILE A 21 -1.809 12.172 -3.922 1.00 0.63 H new ATOM 0 HG21 ILE A 21 -3.788 15.193 -2.999 1.00 0.79 H new ATOM 0 HG22 ILE A 21 -3.500 15.046 -1.249 1.00 0.79 H new ATOM 0 HG23 ILE A 21 -2.174 15.533 -2.332 1.00 0.79 H new ATOM 0 HD11 ILE A 21 -2.609 13.363 -5.902 1.00 0.76 H new ATOM 0 HD12 ILE A 21 -3.971 12.928 -4.843 1.00 0.76 H new ATOM 0 HD13 ILE A 21 -3.363 14.601 -4.870 1.00 0.76 H new ATOM 308 N GLN A 22 -2.866 12.614 0.706 1.00 0.41 N ATOM 309 CA GLN A 22 -3.352 12.928 2.046 1.00 0.37 C ATOM 310 C GLN A 22 -2.217 12.896 3.071 1.00 0.37 C ATOM 311 O GLN A 22 -2.375 13.344 4.204 1.00 0.46 O ATOM 312 CB GLN A 22 -4.445 11.944 2.458 1.00 0.40 C ATOM 313 CG GLN A 22 -5.857 12.495 2.340 1.00 0.43 C ATOM 314 CD GLN A 22 -6.218 13.417 3.490 1.00 0.36 C ATOM 315 OE1 GLN A 22 -5.376 14.151 4.003 1.00 0.35 O ATOM 316 NE2 GLN A 22 -7.470 13.374 3.916 1.00 0.41 N ATOM 0 H GLN A 22 -3.174 11.710 0.348 1.00 0.41 H new ATOM 0 HA GLN A 22 -3.764 13.937 2.021 1.00 0.37 H new ATOM 0 HB2 GLN A 22 -4.364 11.049 1.841 1.00 0.40 H new ATOM 0 HB3 GLN A 22 -4.272 11.637 3.489 1.00 0.40 H new ATOM 0 HG2 GLN A 22 -5.955 13.037 1.399 1.00 0.43 H new ATOM 0 HG3 GLN A 22 -6.565 11.667 2.306 1.00 0.43 H new ATOM 0 HE21 GLN A 22 -8.141 12.752 3.465 1.00 0.41 H new ATOM 0 HE22 GLN A 22 -7.764 13.963 4.695 1.00 0.41 H new ATOM 325 N LEU A 23 -1.073 12.354 2.673 1.00 0.41 N ATOM 326 CA LEU A 23 0.084 12.276 3.553 1.00 0.44 C ATOM 327 C LEU A 23 1.105 13.355 3.205 1.00 0.40 C ATOM 328 O LEU A 23 1.750 13.932 4.084 1.00 0.49 O ATOM 329 CB LEU A 23 0.729 10.893 3.450 1.00 0.54 C ATOM 330 CG LEU A 23 2.073 10.736 4.158 1.00 1.06 C ATOM 331 CD1 LEU A 23 1.871 10.569 5.655 1.00 1.37 C ATOM 332 CD2 LEU A 23 2.833 9.552 3.588 1.00 1.25 C ATOM 0 H LEU A 23 -0.922 11.961 1.744 1.00 0.41 H new ATOM 0 HA LEU A 23 -0.253 12.439 4.577 1.00 0.44 H new ATOM 0 HB2 LEU A 23 0.036 10.158 3.858 1.00 0.54 H new ATOM 0 HB3 LEU A 23 0.864 10.653 2.395 1.00 0.54 H new ATOM 0 HG LEU A 23 2.661 11.639 3.991 1.00 1.06 H new ATOM 0 HD11 LEU A 23 2.840 10.459 6.143 1.00 1.37 H new ATOM 0 HD12 LEU A 23 1.362 11.447 6.054 1.00 1.37 H new ATOM 0 HD13 LEU A 23 1.266 9.682 5.844 1.00 1.37 H new ATOM 0 HD21 LEU A 23 3.789 9.452 4.102 1.00 1.25 H new ATOM 0 HD22 LEU A 23 2.249 8.643 3.728 1.00 1.25 H new ATOM 0 HD23 LEU A 23 3.008 9.710 2.524 1.00 1.25 H new ATOM 344 N ILE A 24 1.251 13.619 1.916 1.00 0.37 N ATOM 345 CA ILE A 24 2.199 14.619 1.444 1.00 0.39 C ATOM 346 C ILE A 24 1.631 16.031 1.573 1.00 0.46 C ATOM 347 O ILE A 24 2.204 16.877 2.258 1.00 0.58 O ATOM 348 CB ILE A 24 2.605 14.363 -0.026 1.00 0.40 C ATOM 349 CG1 ILE A 24 3.168 12.947 -0.185 1.00 0.39 C ATOM 350 CG2 ILE A 24 3.617 15.398 -0.497 1.00 0.47 C ATOM 351 CD1 ILE A 24 4.469 12.711 0.555 1.00 0.37 C ATOM 0 H ILE A 24 0.725 13.154 1.176 1.00 0.37 H new ATOM 0 HA ILE A 24 3.084 14.535 2.075 1.00 0.39 H new ATOM 0 HB ILE A 24 1.714 14.454 -0.648 1.00 0.40 H new ATOM 0 HG12 ILE A 24 2.426 12.231 0.169 1.00 0.39 H new ATOM 0 HG13 ILE A 24 3.324 12.747 -1.245 1.00 0.39 H new ATOM 0 HG21 ILE A 24 3.887 15.197 -1.534 1.00 0.47 H new ATOM 0 HG22 ILE A 24 3.180 16.394 -0.422 1.00 0.47 H new ATOM 0 HG23 ILE A 24 4.509 15.345 0.127 1.00 0.47 H new ATOM 0 HD11 ILE A 24 4.800 11.685 0.391 1.00 0.37 H new ATOM 0 HD12 ILE A 24 5.228 13.401 0.186 1.00 0.37 H new ATOM 0 HD13 ILE A 24 4.316 12.877 1.621 1.00 0.37 H new ATOM 363 N GLN A 25 0.503 16.277 0.917 1.00 0.46 N ATOM 364 CA GLN A 25 -0.130 17.592 0.949 1.00 0.55 C ATOM 365 C GLN A 25 -1.120 17.695 2.112 1.00 0.50 C ATOM 366 O GLN A 25 -1.524 18.794 2.498 1.00 0.58 O ATOM 367 CB GLN A 25 -0.848 17.876 -0.372 1.00 0.65 C ATOM 368 CG GLN A 25 0.079 17.986 -1.574 1.00 0.82 C ATOM 369 CD GLN A 25 -0.656 18.380 -2.840 1.00 1.04 C ATOM 370 OE1 GLN A 25 -1.833 18.073 -3.007 1.00 1.68 O ATOM 371 NE2 GLN A 25 0.036 19.055 -3.743 1.00 1.38 N ATOM 0 H GLN A 25 0.007 15.584 0.356 1.00 0.46 H new ATOM 0 HA GLN A 25 0.653 18.336 1.093 1.00 0.55 H new ATOM 0 HB2 GLN A 25 -1.572 17.083 -0.557 1.00 0.65 H new ATOM 0 HB3 GLN A 25 -1.410 18.805 -0.275 1.00 0.65 H new ATOM 0 HG2 GLN A 25 0.855 18.722 -1.364 1.00 0.82 H new ATOM 0 HG3 GLN A 25 0.580 17.031 -1.731 1.00 0.82 H new ATOM 0 HE21 GLN A 25 1.012 19.291 -3.566 1.00 1.38 H new ATOM 0 HE22 GLN A 25 -0.407 19.340 -4.617 1.00 1.38 H new ATOM 380 N ASN A 26 -1.504 16.538 2.651 1.00 0.44 N ATOM 381 CA ASN A 26 -2.429 16.455 3.788 1.00 0.49 C ATOM 382 C ASN A 26 -3.814 17.007 3.450 1.00 0.46 C ATOM 383 O ASN A 26 -4.386 17.787 4.212 1.00 0.58 O ATOM 384 CB ASN A 26 -1.862 17.166 5.023 1.00 0.61 C ATOM 385 CG ASN A 26 -0.841 16.322 5.764 1.00 1.02 C ATOM 386 OD1 ASN A 26 -1.194 15.434 6.536 1.00 1.40 O ATOM 387 ND2 ASN A 26 0.435 16.609 5.554 1.00 1.60 N ATOM 0 H ASN A 26 -1.184 15.630 2.314 1.00 0.44 H new ATOM 0 HA ASN A 26 -2.542 15.395 4.017 1.00 0.49 H new ATOM 0 HB2 ASN A 26 -1.399 18.104 4.717 1.00 0.61 H new ATOM 0 HB3 ASN A 26 -2.679 17.419 5.699 1.00 0.61 H new ATOM 0 HD21 ASN A 26 1.162 16.085 6.041 1.00 1.60 H new ATOM 0 HD22 ASN A 26 0.690 17.354 4.905 1.00 1.60 H new ATOM 394 N HIS A 27 -4.349 16.602 2.302 1.00 0.41 N ATOM 395 CA HIS A 27 -5.684 17.024 1.884 1.00 0.44 C ATOM 396 C HIS A 27 -6.284 15.974 0.952 1.00 0.43 C ATOM 397 O HIS A 27 -5.568 15.350 0.169 1.00 0.46 O ATOM 398 CB HIS A 27 -5.666 18.430 1.247 1.00 0.51 C ATOM 399 CG HIS A 27 -5.373 18.477 -0.225 1.00 0.55 C ATOM 400 ND1 HIS A 27 -6.337 18.738 -1.176 1.00 0.61 N ATOM 401 CD2 HIS A 27 -4.215 18.322 -0.904 1.00 0.67 C ATOM 402 CE1 HIS A 27 -5.782 18.736 -2.375 1.00 0.69 C ATOM 403 NE2 HIS A 27 -4.498 18.485 -2.237 1.00 0.74 N ATOM 0 H HIS A 27 -3.879 15.981 1.643 1.00 0.41 H new ATOM 0 HA HIS A 27 -6.321 17.103 2.765 1.00 0.44 H new ATOM 0 HB2 HIS A 27 -6.634 18.899 1.421 1.00 0.51 H new ATOM 0 HB3 HIS A 27 -4.922 19.034 1.766 1.00 0.51 H new ATOM 0 HD2 HIS A 27 -3.246 18.109 -0.477 1.00 0.67 H new ATOM 0 HE1 HIS A 27 -6.295 18.911 -3.309 1.00 0.69 H new ATOM 0 HE2 HIS A 27 -3.822 18.422 -2.998 1.00 0.74 H new ATOM 412 N PHE A 28 -7.586 15.768 1.064 1.00 0.44 N ATOM 413 CA PHE A 28 -8.280 14.772 0.259 1.00 0.45 C ATOM 414 C PHE A 28 -8.635 15.304 -1.126 1.00 0.45 C ATOM 415 O PHE A 28 -9.201 16.389 -1.259 1.00 0.52 O ATOM 416 CB PHE A 28 -9.544 14.311 0.985 1.00 0.52 C ATOM 417 CG PHE A 28 -10.365 13.318 0.209 1.00 0.47 C ATOM 418 CD1 PHE A 28 -9.912 12.022 0.014 1.00 0.48 C ATOM 419 CD2 PHE A 28 -11.593 13.681 -0.318 1.00 0.60 C ATOM 420 CE1 PHE A 28 -10.672 11.108 -0.691 1.00 0.49 C ATOM 421 CE2 PHE A 28 -12.354 12.772 -1.025 1.00 0.60 C ATOM 422 CZ PHE A 28 -11.895 11.485 -1.210 1.00 0.48 C ATOM 0 H PHE A 28 -8.188 16.280 1.709 1.00 0.44 H new ATOM 0 HA PHE A 28 -7.606 13.927 0.121 1.00 0.45 H new ATOM 0 HB2 PHE A 28 -9.261 13.867 1.939 1.00 0.52 H new ATOM 0 HB3 PHE A 28 -10.161 15.182 1.209 1.00 0.52 H new ATOM 0 HD1 PHE A 28 -8.955 11.724 0.417 1.00 0.48 H new ATOM 0 HD2 PHE A 28 -11.959 14.687 -0.174 1.00 0.60 H new ATOM 0 HE1 PHE A 28 -10.310 10.101 -0.836 1.00 0.49 H new ATOM 0 HE2 PHE A 28 -13.309 13.069 -1.433 1.00 0.60 H new ATOM 0 HZ PHE A 28 -12.491 10.772 -1.760 1.00 0.48 H new ATOM 432 N VAL A 29 -8.287 14.528 -2.147 1.00 0.46 N ATOM 433 CA VAL A 29 -8.586 14.878 -3.532 1.00 0.49 C ATOM 434 C VAL A 29 -9.648 13.932 -4.078 1.00 0.52 C ATOM 435 O VAL A 29 -9.445 12.715 -4.121 1.00 0.61 O ATOM 436 CB VAL A 29 -7.330 14.807 -4.434 1.00 0.53 C ATOM 437 CG1 VAL A 29 -7.649 15.268 -5.852 1.00 0.55 C ATOM 438 CG2 VAL A 29 -6.200 15.636 -3.844 1.00 0.64 C ATOM 0 H VAL A 29 -7.792 13.643 -2.039 1.00 0.46 H new ATOM 0 HA VAL A 29 -8.948 15.906 -3.541 1.00 0.49 H new ATOM 0 HB VAL A 29 -7.007 13.767 -4.481 1.00 0.53 H new ATOM 0 HG11 VAL A 29 -6.750 15.208 -6.465 1.00 0.55 H new ATOM 0 HG12 VAL A 29 -8.421 14.628 -6.278 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -8.004 16.298 -5.828 1.00 0.55 H new ATOM 0 HG21 VAL A 29 -5.326 15.573 -4.492 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -6.517 16.676 -3.761 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -5.946 15.254 -2.855 1.00 0.64 H new ATOM 448 N ASP A 30 -10.777 14.493 -4.490 1.00 0.55 N ATOM 449 CA ASP A 30 -11.884 13.698 -5.014 1.00 0.63 C ATOM 450 C ASP A 30 -11.642 13.268 -6.461 1.00 0.60 C ATOM 451 O ASP A 30 -11.919 12.128 -6.831 1.00 0.72 O ATOM 452 CB ASP A 30 -13.191 14.491 -4.917 1.00 0.75 C ATOM 453 CG ASP A 30 -14.383 13.739 -5.477 1.00 0.93 C ATOM 454 OD1 ASP A 30 -15.077 14.290 -6.362 1.00 1.12 O ATOM 455 OD2 ASP A 30 -14.651 12.604 -5.027 1.00 0.99 O ATOM 0 H ASP A 30 -10.952 15.498 -4.472 1.00 0.55 H new ATOM 0 HA ASP A 30 -11.957 12.795 -4.408 1.00 0.63 H new ATOM 0 HB2 ASP A 30 -13.383 14.739 -3.873 1.00 0.75 H new ATOM 0 HB3 ASP A 30 -13.078 15.433 -5.453 1.00 0.75 H new ATOM 460 N GLU A 31 -11.110 14.172 -7.275 1.00 0.54 N ATOM 461 CA GLU A 31 -10.865 13.868 -8.677 1.00 0.59 C ATOM 462 C GLU A 31 -9.378 13.892 -9.007 1.00 0.53 C ATOM 463 O GLU A 31 -8.748 14.950 -9.035 1.00 0.53 O ATOM 464 CB GLU A 31 -11.615 14.859 -9.571 1.00 0.69 C ATOM 465 CG GLU A 31 -11.912 14.319 -10.959 1.00 0.83 C ATOM 466 CD GLU A 31 -13.048 13.318 -10.950 1.00 0.99 C ATOM 467 OE1 GLU A 31 -12.786 12.117 -10.730 1.00 1.18 O ATOM 468 OE2 GLU A 31 -14.210 13.720 -11.172 1.00 1.16 O ATOM 0 H GLU A 31 -10.842 15.114 -6.990 1.00 0.54 H new ATOM 0 HA GLU A 31 -11.233 12.859 -8.865 1.00 0.59 H new ATOM 0 HB2 GLU A 31 -12.553 15.133 -9.088 1.00 0.69 H new ATOM 0 HB3 GLU A 31 -11.025 15.771 -9.663 1.00 0.69 H new ATOM 0 HG2 GLU A 31 -12.163 15.146 -11.623 1.00 0.83 H new ATOM 0 HG3 GLU A 31 -11.017 13.847 -11.363 1.00 0.83 H new ATOM 475 N TYR A 32 -8.825 12.716 -9.249 1.00 0.50 N ATOM 476 CA TYR A 32 -7.424 12.583 -9.605 1.00 0.46 C ATOM 477 C TYR A 32 -7.282 11.485 -10.649 1.00 0.44 C ATOM 478 O TYR A 32 -8.014 10.491 -10.608 1.00 0.48 O ATOM 479 CB TYR A 32 -6.572 12.267 -8.372 1.00 0.46 C ATOM 480 CG TYR A 32 -5.087 12.509 -8.571 1.00 0.46 C ATOM 481 CD1 TYR A 32 -4.557 13.790 -8.487 1.00 0.51 C ATOM 482 CD2 TYR A 32 -4.217 11.457 -8.842 1.00 0.46 C ATOM 483 CE1 TYR A 32 -3.206 14.015 -8.670 1.00 0.55 C ATOM 484 CE2 TYR A 32 -2.866 11.678 -9.024 1.00 0.50 C ATOM 485 CZ TYR A 32 -2.365 12.955 -8.938 1.00 0.54 C ATOM 486 OH TYR A 32 -1.016 13.171 -9.122 1.00 0.60 O ATOM 0 H TYR A 32 -9.331 11.832 -9.205 1.00 0.50 H new ATOM 0 HA TYR A 32 -7.068 13.527 -10.016 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -6.920 12.875 -7.537 1.00 0.46 H new ATOM 0 HB3 TYR A 32 -6.726 11.224 -8.094 1.00 0.46 H new ATOM 0 HD1 TYR A 32 -5.211 14.623 -8.275 1.00 0.51 H new ATOM 0 HD2 TYR A 32 -4.605 10.451 -8.911 1.00 0.46 H new ATOM 0 HE1 TYR A 32 -2.810 15.018 -8.603 1.00 0.55 H new ATOM 0 HE2 TYR A 32 -2.205 10.850 -9.233 1.00 0.50 H new ATOM 0 HH TYR A 32 -0.569 12.317 -9.301 1.00 0.60 H new ATOM 496 N ASP A 33 -6.362 11.670 -11.586 1.00 0.43 N ATOM 497 CA ASP A 33 -6.148 10.692 -12.647 1.00 0.42 C ATOM 498 C ASP A 33 -5.642 9.372 -12.076 1.00 0.39 C ATOM 499 O ASP A 33 -4.627 9.332 -11.374 1.00 0.42 O ATOM 500 CB ASP A 33 -5.163 11.233 -13.679 1.00 0.50 C ATOM 501 CG ASP A 33 -5.275 10.519 -15.006 1.00 0.55 C ATOM 502 OD1 ASP A 33 -4.778 9.380 -15.116 1.00 0.80 O ATOM 503 OD2 ASP A 33 -5.871 11.094 -15.945 1.00 0.60 O ATOM 0 H ASP A 33 -5.752 12.486 -11.634 1.00 0.43 H new ATOM 0 HA ASP A 33 -7.104 10.509 -13.137 1.00 0.42 H new ATOM 0 HB2 ASP A 33 -5.342 12.298 -13.826 1.00 0.50 H new ATOM 0 HB3 ASP A 33 -4.147 11.130 -13.298 1.00 0.50 H new ATOM 508 N PRO A 34 -6.355 8.274 -12.357 1.00 0.38 N ATOM 509 CA PRO A 34 -5.990 6.949 -11.856 1.00 0.41 C ATOM 510 C PRO A 34 -4.844 6.301 -12.633 1.00 0.42 C ATOM 511 O PRO A 34 -4.229 5.342 -12.158 1.00 0.52 O ATOM 512 CB PRO A 34 -7.280 6.150 -12.041 1.00 0.50 C ATOM 513 CG PRO A 34 -7.970 6.790 -13.196 1.00 0.49 C ATOM 514 CD PRO A 34 -7.586 8.243 -13.171 1.00 0.42 C ATOM 0 HA PRO A 34 -5.627 6.992 -10.829 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -7.068 5.100 -12.241 1.00 0.50 H new ATOM 0 HB3 PRO A 34 -7.898 6.185 -11.144 1.00 0.50 H new ATOM 0 HG2 PRO A 34 -7.668 6.325 -14.134 1.00 0.49 H new ATOM 0 HG3 PRO A 34 -9.051 6.673 -13.116 1.00 0.49 H new ATOM 0 HD2 PRO A 34 -7.410 8.626 -14.176 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -8.372 8.856 -12.729 1.00 0.42 H new ATOM 522 N THR A 35 -4.543 6.838 -13.812 1.00 0.37 N ATOM 523 CA THR A 35 -3.481 6.291 -14.646 1.00 0.42 C ATOM 524 C THR A 35 -2.145 6.978 -14.382 1.00 0.40 C ATOM 525 O THR A 35 -1.148 6.682 -15.036 1.00 0.41 O ATOM 526 CB THR A 35 -3.822 6.406 -16.144 1.00 0.52 C ATOM 527 OG1 THR A 35 -5.046 7.133 -16.320 1.00 0.74 O ATOM 528 CG2 THR A 35 -3.955 5.029 -16.772 1.00 0.89 C ATOM 0 H THR A 35 -5.018 7.648 -14.209 1.00 0.37 H new ATOM 0 HA THR A 35 -3.394 5.237 -14.381 1.00 0.42 H new ATOM 0 HB THR A 35 -3.010 6.941 -16.636 1.00 0.52 H new ATOM 0 HG1 THR A 35 -4.870 8.094 -16.242 1.00 0.74 H new ATOM 0 HG21 THR A 35 -4.196 5.133 -17.830 1.00 0.89 H new ATOM 0 HG22 THR A 35 -3.015 4.488 -16.666 1.00 0.89 H new ATOM 0 HG23 THR A 35 -4.750 4.476 -16.272 1.00 0.89 H new ATOM 536 N ILE A 36 -2.124 7.893 -13.422 1.00 0.45 N ATOM 537 CA ILE A 36 -0.899 8.597 -13.079 1.00 0.48 C ATOM 538 C ILE A 36 -0.090 7.796 -12.070 1.00 0.47 C ATOM 539 O ILE A 36 -0.615 7.362 -11.037 1.00 0.54 O ATOM 540 CB ILE A 36 -1.174 10.018 -12.525 1.00 0.54 C ATOM 541 CG1 ILE A 36 -1.534 10.965 -13.674 1.00 0.62 C ATOM 542 CG2 ILE A 36 0.033 10.546 -11.749 1.00 0.65 C ATOM 543 CD1 ILE A 36 -1.823 12.386 -13.227 1.00 0.73 C ATOM 0 H ILE A 36 -2.938 8.163 -12.870 1.00 0.45 H new ATOM 0 HA ILE A 36 -0.326 8.707 -14.000 1.00 0.48 H new ATOM 0 HB ILE A 36 -2.016 9.964 -11.835 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -0.714 10.979 -14.392 1.00 0.62 H new ATOM 0 HG13 ILE A 36 -2.407 10.573 -14.196 1.00 0.62 H new ATOM 0 HG21 ILE A 36 -0.186 11.545 -11.371 1.00 0.65 H new ATOM 0 HG22 ILE A 36 0.248 9.880 -10.913 1.00 0.65 H new ATOM 0 HG23 ILE A 36 0.899 10.590 -12.409 1.00 0.65 H new ATOM 0 HD11 ILE A 36 -2.070 12.997 -14.095 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -2.663 12.385 -12.533 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -0.944 12.798 -12.732 1.00 0.73 H new ATOM 555 N GLU A 37 1.173 7.578 -12.403 1.00 0.49 N ATOM 556 CA GLU A 37 2.096 6.852 -11.549 1.00 0.48 C ATOM 557 C GLU A 37 3.189 7.817 -11.099 1.00 0.50 C ATOM 558 O GLU A 37 4.165 8.044 -11.819 1.00 0.79 O ATOM 559 CB GLU A 37 2.693 5.669 -12.309 1.00 0.51 C ATOM 560 CG GLU A 37 3.232 4.565 -11.415 1.00 0.57 C ATOM 561 CD GLU A 37 3.268 3.230 -12.124 1.00 0.59 C ATOM 562 OE1 GLU A 37 2.474 2.336 -11.755 1.00 0.64 O ATOM 563 OE2 GLU A 37 4.071 3.079 -13.068 1.00 0.81 O ATOM 0 H GLU A 37 1.587 7.902 -13.277 1.00 0.49 H new ATOM 0 HA GLU A 37 1.576 6.457 -10.676 1.00 0.48 H new ATOM 0 HB2 GLU A 37 1.930 5.250 -12.965 1.00 0.51 H new ATOM 0 HB3 GLU A 37 3.499 6.031 -12.947 1.00 0.51 H new ATOM 0 HG2 GLU A 37 4.237 4.826 -11.082 1.00 0.57 H new ATOM 0 HG3 GLU A 37 2.611 4.485 -10.523 1.00 0.57 H new ATOM 570 N ASP A 38 3.001 8.401 -9.925 1.00 0.30 N ATOM 571 CA ASP A 38 3.944 9.374 -9.394 1.00 0.33 C ATOM 572 C ASP A 38 4.601 8.856 -8.121 1.00 0.31 C ATOM 573 O ASP A 38 4.123 7.899 -7.510 1.00 0.34 O ATOM 574 CB ASP A 38 3.212 10.691 -9.106 1.00 0.42 C ATOM 575 CG ASP A 38 4.115 11.905 -9.207 1.00 0.54 C ATOM 576 OD1 ASP A 38 3.587 13.038 -9.247 1.00 1.29 O ATOM 577 OD2 ASP A 38 5.352 11.738 -9.241 1.00 1.12 O ATOM 0 H ASP A 38 2.201 8.217 -9.320 1.00 0.30 H new ATOM 0 HA ASP A 38 4.725 9.543 -10.135 1.00 0.33 H new ATOM 0 HB2 ASP A 38 2.385 10.801 -9.807 1.00 0.42 H new ATOM 0 HB3 ASP A 38 2.780 10.649 -8.106 1.00 0.42 H new ATOM 582 N SER A 39 5.694 9.497 -7.735 1.00 0.33 N ATOM 583 CA SER A 39 6.431 9.134 -6.534 1.00 0.35 C ATOM 584 C SER A 39 6.686 10.378 -5.682 1.00 0.27 C ATOM 585 O SER A 39 7.157 11.401 -6.185 1.00 0.35 O ATOM 586 CB SER A 39 7.753 8.456 -6.905 1.00 0.51 C ATOM 587 OG SER A 39 8.257 8.965 -8.131 1.00 0.78 O ATOM 0 H SER A 39 6.095 10.284 -8.246 1.00 0.33 H new ATOM 0 HA SER A 39 5.836 8.429 -5.954 1.00 0.35 H new ATOM 0 HB2 SER A 39 8.484 8.617 -6.112 1.00 0.51 H new ATOM 0 HB3 SER A 39 7.604 7.379 -6.988 1.00 0.51 H new ATOM 0 HG SER A 39 9.102 8.519 -8.347 1.00 0.78 H new ATOM 593 N TYR A 40 6.364 10.296 -4.400 1.00 0.32 N ATOM 594 CA TYR A 40 6.545 11.426 -3.496 1.00 0.33 C ATOM 595 C TYR A 40 7.387 11.030 -2.292 1.00 0.31 C ATOM 596 O TYR A 40 7.293 9.900 -1.807 1.00 0.35 O ATOM 597 CB TYR A 40 5.188 11.959 -3.032 1.00 0.44 C ATOM 598 CG TYR A 40 4.343 12.517 -4.155 1.00 0.53 C ATOM 599 CD1 TYR A 40 3.160 11.890 -4.538 1.00 0.68 C ATOM 600 CD2 TYR A 40 4.733 13.661 -4.843 1.00 0.67 C ATOM 601 CE1 TYR A 40 2.392 12.389 -5.573 1.00 0.79 C ATOM 602 CE2 TYR A 40 3.969 14.167 -5.876 1.00 0.80 C ATOM 603 CZ TYR A 40 2.799 13.527 -6.235 1.00 0.80 C ATOM 604 OH TYR A 40 2.041 14.023 -7.265 1.00 0.94 O ATOM 0 H TYR A 40 5.976 9.461 -3.961 1.00 0.32 H new ATOM 0 HA TYR A 40 7.069 12.212 -4.039 1.00 0.33 H new ATOM 0 HB2 TYR A 40 4.640 11.155 -2.540 1.00 0.44 H new ATOM 0 HB3 TYR A 40 5.348 12.738 -2.287 1.00 0.44 H new ATOM 0 HD1 TYR A 40 2.838 11.000 -4.018 1.00 0.68 H new ATOM 0 HD2 TYR A 40 5.648 14.162 -4.565 1.00 0.67 H new ATOM 0 HE1 TYR A 40 1.479 11.890 -5.861 1.00 0.79 H new ATOM 0 HE2 TYR A 40 4.284 15.057 -6.400 1.00 0.80 H new ATOM 0 HH TYR A 40 2.380 13.676 -8.117 1.00 0.94 H new ATOM 614 N ARG A 41 8.218 11.958 -1.831 1.00 0.33 N ATOM 615 CA ARG A 41 9.079 11.717 -0.686 1.00 0.34 C ATOM 616 C ARG A 41 8.663 12.594 0.492 1.00 0.40 C ATOM 617 O ARG A 41 8.255 13.743 0.311 1.00 0.53 O ATOM 618 CB ARG A 41 10.541 11.976 -1.055 1.00 0.40 C ATOM 619 CG ARG A 41 11.280 10.732 -1.535 1.00 0.38 C ATOM 620 CD ARG A 41 10.671 10.152 -2.804 1.00 0.36 C ATOM 621 NE ARG A 41 10.830 11.038 -3.953 1.00 0.40 N ATOM 622 CZ ARG A 41 10.946 10.608 -5.203 1.00 0.48 C ATOM 623 NH1 ARG A 41 10.914 9.303 -5.474 1.00 0.56 N ATOM 624 NH2 ARG A 41 11.094 11.488 -6.189 1.00 0.56 N ATOM 0 H ARG A 41 8.312 12.889 -2.238 1.00 0.33 H new ATOM 0 HA ARG A 41 8.975 10.673 -0.390 1.00 0.34 H new ATOM 0 HB2 ARG A 41 10.581 12.736 -1.836 1.00 0.40 H new ATOM 0 HB3 ARG A 41 11.059 12.384 -0.187 1.00 0.40 H new ATOM 0 HG2 ARG A 41 12.325 10.981 -1.717 1.00 0.38 H new ATOM 0 HG3 ARG A 41 11.264 9.977 -0.749 1.00 0.38 H new ATOM 0 HD2 ARG A 41 11.138 9.192 -3.022 1.00 0.36 H new ATOM 0 HD3 ARG A 41 9.610 9.961 -2.640 1.00 0.36 H new ATOM 0 HE ARG A 41 10.853 12.044 -3.786 1.00 0.40 H new ATOM 0 HH11 ARG A 41 10.800 8.628 -4.718 1.00 0.56 H new ATOM 0 HH12 ARG A 41 11.004 8.980 -6.437 1.00 0.56 H new ATOM 0 HH21 ARG A 41 11.118 12.487 -5.982 1.00 0.56 H new ATOM 0 HH22 ARG A 41 11.184 11.164 -7.152 1.00 0.56 H new ATOM 638 N LYS A 42 8.763 12.034 1.689 1.00 0.36 N ATOM 639 CA LYS A 42 8.398 12.730 2.916 1.00 0.44 C ATOM 640 C LYS A 42 9.305 12.267 4.052 1.00 0.36 C ATOM 641 O LYS A 42 9.551 11.072 4.201 1.00 0.32 O ATOM 642 CB LYS A 42 6.926 12.445 3.241 1.00 0.56 C ATOM 643 CG LYS A 42 6.381 13.211 4.433 1.00 0.72 C ATOM 644 CD LYS A 42 4.908 12.897 4.647 1.00 1.07 C ATOM 645 CE LYS A 42 4.408 13.397 5.993 1.00 1.33 C ATOM 646 NZ LYS A 42 4.146 14.858 5.991 1.00 1.46 N ATOM 0 H LYS A 42 9.100 11.083 1.838 1.00 0.36 H new ATOM 0 HA LYS A 42 8.525 13.805 2.789 1.00 0.44 H new ATOM 0 HB2 LYS A 42 6.322 12.684 2.366 1.00 0.56 H new ATOM 0 HB3 LYS A 42 6.809 11.377 3.428 1.00 0.56 H new ATOM 0 HG2 LYS A 42 6.947 12.951 5.328 1.00 0.72 H new ATOM 0 HG3 LYS A 42 6.510 14.281 4.273 1.00 0.72 H new ATOM 0 HD2 LYS A 42 4.321 13.353 3.850 1.00 1.07 H new ATOM 0 HD3 LYS A 42 4.754 11.820 4.580 1.00 1.07 H new ATOM 0 HE2 LYS A 42 3.493 12.867 6.258 1.00 1.33 H new ATOM 0 HE3 LYS A 42 5.145 13.164 6.761 1.00 1.33 H new ATOM 0 HZ1 LYS A 42 3.972 15.181 6.964 1.00 1.46 H new ATOM 0 HZ2 LYS A 42 4.971 15.358 5.603 1.00 1.46 H new ATOM 0 HZ3 LYS A 42 3.311 15.060 5.405 1.00 1.46 H new ATOM 660 N GLN A 43 9.810 13.204 4.841 1.00 0.46 N ATOM 661 CA GLN A 43 10.707 12.862 5.945 1.00 0.42 C ATOM 662 C GLN A 43 9.977 12.923 7.279 1.00 0.48 C ATOM 663 O GLN A 43 9.553 13.989 7.719 1.00 0.63 O ATOM 664 CB GLN A 43 11.939 13.778 5.956 1.00 0.53 C ATOM 665 CG GLN A 43 11.676 15.176 5.418 1.00 0.73 C ATOM 666 CD GLN A 43 12.951 15.951 5.145 1.00 1.26 C ATOM 667 OE1 GLN A 43 13.478 16.636 6.023 1.00 1.75 O ATOM 668 NE2 GLN A 43 13.460 15.845 3.927 1.00 1.89 N ATOM 0 H GLN A 43 9.618 14.201 4.742 1.00 0.46 H new ATOM 0 HA GLN A 43 11.048 11.838 5.793 1.00 0.42 H new ATOM 0 HB2 GLN A 43 12.311 13.857 6.978 1.00 0.53 H new ATOM 0 HB3 GLN A 43 12.729 13.315 5.364 1.00 0.53 H new ATOM 0 HG2 GLN A 43 11.097 15.103 4.498 1.00 0.73 H new ATOM 0 HG3 GLN A 43 11.068 15.728 6.135 1.00 0.73 H new ATOM 0 HE21 GLN A 43 12.993 15.267 3.228 1.00 1.89 H new ATOM 0 HE22 GLN A 43 14.319 16.341 3.688 1.00 1.89 H new ATOM 677 N VAL A 44 9.843 11.768 7.916 1.00 0.41 N ATOM 678 CA VAL A 44 9.152 11.664 9.200 1.00 0.50 C ATOM 679 C VAL A 44 10.042 10.963 10.231 1.00 0.41 C ATOM 680 O VAL A 44 10.843 10.097 9.882 1.00 0.38 O ATOM 681 CB VAL A 44 7.821 10.879 9.059 1.00 0.65 C ATOM 682 CG1 VAL A 44 7.022 10.893 10.359 1.00 0.92 C ATOM 683 CG2 VAL A 44 6.985 11.430 7.915 1.00 1.09 C ATOM 0 H VAL A 44 10.206 10.882 7.564 1.00 0.41 H new ATOM 0 HA VAL A 44 8.930 12.677 9.536 1.00 0.50 H new ATOM 0 HB VAL A 44 8.076 9.843 8.834 1.00 0.65 H new ATOM 0 HG11 VAL A 44 6.096 10.334 10.223 1.00 0.92 H new ATOM 0 HG12 VAL A 44 7.611 10.433 11.153 1.00 0.92 H new ATOM 0 HG13 VAL A 44 6.788 11.922 10.631 1.00 0.92 H new ATOM 0 HG21 VAL A 44 6.057 10.863 7.836 1.00 1.09 H new ATOM 0 HG22 VAL A 44 6.755 12.478 8.105 1.00 1.09 H new ATOM 0 HG23 VAL A 44 7.543 11.344 6.982 1.00 1.09 H new ATOM 693 N VAL A 45 9.903 11.344 11.494 1.00 0.46 N ATOM 694 CA VAL A 45 10.682 10.744 12.572 1.00 0.41 C ATOM 695 C VAL A 45 9.927 9.548 13.150 1.00 0.46 C ATOM 696 O VAL A 45 8.989 9.714 13.928 1.00 0.65 O ATOM 697 CB VAL A 45 10.971 11.763 13.695 1.00 0.43 C ATOM 698 CG1 VAL A 45 11.960 11.192 14.696 1.00 0.47 C ATOM 699 CG2 VAL A 45 11.499 13.062 13.113 1.00 0.54 C ATOM 0 H VAL A 45 9.255 12.070 11.799 1.00 0.46 H new ATOM 0 HA VAL A 45 11.635 10.417 12.156 1.00 0.41 H new ATOM 0 HB VAL A 45 10.036 11.971 14.215 1.00 0.43 H new ATOM 0 HG11 VAL A 45 12.150 11.926 15.479 1.00 0.47 H new ATOM 0 HG12 VAL A 45 11.546 10.286 15.140 1.00 0.47 H new ATOM 0 HG13 VAL A 45 12.895 10.953 14.188 1.00 0.47 H new ATOM 0 HG21 VAL A 45 11.697 13.768 13.919 1.00 0.54 H new ATOM 0 HG22 VAL A 45 12.422 12.867 12.566 1.00 0.54 H new ATOM 0 HG23 VAL A 45 10.758 13.485 12.435 1.00 0.54 H new ATOM 709 N ILE A 46 10.332 8.348 12.754 1.00 0.45 N ATOM 710 CA ILE A 46 9.682 7.131 13.212 1.00 0.52 C ATOM 711 C ILE A 46 10.541 6.397 14.231 1.00 0.47 C ATOM 712 O ILE A 46 11.668 5.988 13.935 1.00 0.47 O ATOM 713 CB ILE A 46 9.375 6.185 12.032 1.00 0.65 C ATOM 714 CG1 ILE A 46 8.467 6.879 11.016 1.00 0.79 C ATOM 715 CG2 ILE A 46 8.722 4.904 12.534 1.00 1.06 C ATOM 716 CD1 ILE A 46 8.364 6.150 9.694 1.00 0.81 C ATOM 0 H ILE A 46 11.111 8.193 12.114 1.00 0.45 H new ATOM 0 HA ILE A 46 8.746 7.429 13.684 1.00 0.52 H new ATOM 0 HB ILE A 46 10.314 5.928 11.542 1.00 0.65 H new ATOM 0 HG12 ILE A 46 7.469 6.981 11.443 1.00 0.79 H new ATOM 0 HG13 ILE A 46 8.841 7.887 10.837 1.00 0.79 H new ATOM 0 HG21 ILE A 46 8.512 4.248 11.690 1.00 1.06 H new ATOM 0 HG22 ILE A 46 9.396 4.400 13.227 1.00 1.06 H new ATOM 0 HG23 ILE A 46 7.791 5.147 13.045 1.00 1.06 H new ATOM 0 HD11 ILE A 46 7.704 6.702 9.025 1.00 0.81 H new ATOM 0 HD12 ILE A 46 9.354 6.072 9.244 1.00 0.81 H new ATOM 0 HD13 ILE A 46 7.961 5.151 9.860 1.00 0.81 H new ATOM 728 N ASP A 47 9.996 6.267 15.435 1.00 0.48 N ATOM 729 CA ASP A 47 10.651 5.575 16.539 1.00 0.50 C ATOM 730 C ASP A 47 11.962 6.248 16.929 1.00 0.45 C ATOM 731 O ASP A 47 12.893 5.593 17.398 1.00 0.53 O ATOM 732 CB ASP A 47 10.874 4.094 16.206 1.00 0.56 C ATOM 733 CG ASP A 47 9.606 3.274 16.350 1.00 0.65 C ATOM 734 OD1 ASP A 47 8.622 3.789 16.919 1.00 0.97 O ATOM 735 OD2 ASP A 47 9.583 2.109 15.887 1.00 0.79 O ATOM 0 H ASP A 47 9.078 6.642 15.675 1.00 0.48 H new ATOM 0 HA ASP A 47 9.985 5.634 17.400 1.00 0.50 H new ATOM 0 HB2 ASP A 47 11.247 4.006 15.186 1.00 0.56 H new ATOM 0 HB3 ASP A 47 11.643 3.688 16.863 1.00 0.56 H new ATOM 740 N GLY A 48 12.019 7.563 16.747 1.00 0.41 N ATOM 741 CA GLY A 48 13.207 8.314 17.110 1.00 0.43 C ATOM 742 C GLY A 48 14.210 8.470 15.985 1.00 0.43 C ATOM 743 O GLY A 48 15.255 9.090 16.172 1.00 0.60 O ATOM 0 H GLY A 48 11.263 8.123 16.354 1.00 0.41 H new ATOM 0 HA2 GLY A 48 12.907 9.304 17.454 1.00 0.43 H new ATOM 0 HA3 GLY A 48 13.694 7.819 17.950 1.00 0.43 H new ATOM 747 N GLU A 49 13.911 7.917 14.819 1.00 0.40 N ATOM 748 CA GLU A 49 14.824 8.014 13.685 1.00 0.43 C ATOM 749 C GLU A 49 14.151 8.682 12.492 1.00 0.34 C ATOM 750 O GLU A 49 13.068 8.269 12.073 1.00 0.36 O ATOM 751 CB GLU A 49 15.330 6.627 13.282 1.00 0.52 C ATOM 752 CG GLU A 49 15.750 5.757 14.456 1.00 0.72 C ATOM 753 CD GLU A 49 16.738 4.682 14.055 1.00 0.96 C ATOM 754 OE1 GLU A 49 17.959 4.924 14.168 1.00 1.30 O ATOM 755 OE2 GLU A 49 16.295 3.591 13.626 1.00 1.41 O ATOM 0 H GLU A 49 13.052 7.400 14.632 1.00 0.40 H new ATOM 0 HA GLU A 49 15.670 8.628 13.994 1.00 0.43 H new ATOM 0 HB2 GLU A 49 14.547 6.114 12.724 1.00 0.52 H new ATOM 0 HB3 GLU A 49 16.178 6.743 12.607 1.00 0.52 H new ATOM 0 HG2 GLU A 49 16.194 6.384 15.229 1.00 0.72 H new ATOM 0 HG3 GLU A 49 14.867 5.290 14.893 1.00 0.72 H new ATOM 762 N THR A 50 14.780 9.724 11.960 1.00 0.35 N ATOM 763 CA THR A 50 14.247 10.430 10.805 1.00 0.32 C ATOM 764 C THR A 50 14.393 9.573 9.554 1.00 0.30 C ATOM 765 O THR A 50 15.505 9.269 9.120 1.00 0.38 O ATOM 766 CB THR A 50 14.978 11.763 10.603 1.00 0.45 C ATOM 767 OG1 THR A 50 15.493 12.208 11.863 1.00 0.63 O ATOM 768 CG2 THR A 50 14.040 12.813 10.031 1.00 0.47 C ATOM 0 H THR A 50 15.661 10.098 12.312 1.00 0.35 H new ATOM 0 HA THR A 50 13.191 10.631 10.984 1.00 0.32 H new ATOM 0 HB THR A 50 15.795 11.616 9.896 1.00 0.45 H new ATOM 0 HG1 THR A 50 15.963 13.059 11.742 1.00 0.63 H new ATOM 0 HG21 THR A 50 14.581 13.750 9.897 1.00 0.47 H new ATOM 0 HG22 THR A 50 13.657 12.474 9.068 1.00 0.47 H new ATOM 0 HG23 THR A 50 13.208 12.970 10.717 1.00 0.47 H new ATOM 776 N CYS A 51 13.268 9.183 8.982 1.00 0.31 N ATOM 777 CA CYS A 51 13.272 8.338 7.806 1.00 0.40 C ATOM 778 C CYS A 51 12.651 9.045 6.605 1.00 0.34 C ATOM 779 O CYS A 51 11.741 9.870 6.751 1.00 0.35 O ATOM 780 CB CYS A 51 12.508 7.049 8.106 1.00 0.53 C ATOM 781 SG CYS A 51 12.872 6.336 9.728 1.00 0.71 S ATOM 0 H CYS A 51 12.339 9.440 9.315 1.00 0.31 H new ATOM 0 HA CYS A 51 14.307 8.107 7.554 1.00 0.40 H new ATOM 0 HB2 CYS A 51 11.439 7.249 8.041 1.00 0.53 H new ATOM 0 HB3 CYS A 51 12.742 6.313 7.337 1.00 0.53 H new ATOM 0 HG CYS A 51 12.799 7.264 10.636 1.00 0.71 H new ATOM 787 N LEU A 52 13.154 8.723 5.419 1.00 0.32 N ATOM 788 CA LEU A 52 12.653 9.306 4.186 1.00 0.30 C ATOM 789 C LEU A 52 11.712 8.321 3.507 1.00 0.28 C ATOM 790 O LEU A 52 12.093 7.193 3.199 1.00 0.35 O ATOM 791 CB LEU A 52 13.806 9.675 3.245 1.00 0.37 C ATOM 792 CG LEU A 52 13.417 10.529 2.034 1.00 0.40 C ATOM 793 CD1 LEU A 52 13.029 11.933 2.471 1.00 0.48 C ATOM 794 CD2 LEU A 52 14.561 10.585 1.034 1.00 0.47 C ATOM 0 H LEU A 52 13.914 8.056 5.288 1.00 0.32 H new ATOM 0 HA LEU A 52 12.111 10.221 4.425 1.00 0.30 H new ATOM 0 HB2 LEU A 52 14.563 10.210 3.818 1.00 0.37 H new ATOM 0 HB3 LEU A 52 14.269 8.755 2.886 1.00 0.37 H new ATOM 0 HG LEU A 52 12.555 10.067 1.552 1.00 0.40 H new ATOM 0 HD11 LEU A 52 12.756 12.524 1.597 1.00 0.48 H new ATOM 0 HD12 LEU A 52 12.180 11.880 3.153 1.00 0.48 H new ATOM 0 HD13 LEU A 52 13.872 12.403 2.977 1.00 0.48 H new ATOM 0 HD21 LEU A 52 14.268 11.196 0.180 1.00 0.47 H new ATOM 0 HD22 LEU A 52 15.439 11.023 1.509 1.00 0.47 H new ATOM 0 HD23 LEU A 52 14.798 9.576 0.695 1.00 0.47 H new ATOM 806 N LEU A 53 10.477 8.738 3.317 1.00 0.27 N ATOM 807 CA LEU A 53 9.470 7.895 2.695 1.00 0.29 C ATOM 808 C LEU A 53 9.441 8.058 1.179 1.00 0.25 C ATOM 809 O LEU A 53 9.149 9.143 0.678 1.00 0.30 O ATOM 810 CB LEU A 53 8.086 8.233 3.253 1.00 0.37 C ATOM 811 CG LEU A 53 7.879 7.930 4.735 1.00 0.39 C ATOM 812 CD1 LEU A 53 6.786 8.816 5.306 1.00 0.59 C ATOM 813 CD2 LEU A 53 7.512 6.471 4.932 1.00 0.87 C ATOM 0 H LEU A 53 10.142 9.663 3.586 1.00 0.27 H new ATOM 0 HA LEU A 53 9.732 6.862 2.924 1.00 0.29 H new ATOM 0 HB2 LEU A 53 7.897 9.294 3.088 1.00 0.37 H new ATOM 0 HB3 LEU A 53 7.339 7.683 2.681 1.00 0.37 H new ATOM 0 HG LEU A 53 8.812 8.133 5.260 1.00 0.39 H new ATOM 0 HD11 LEU A 53 6.649 8.589 6.363 1.00 0.59 H new ATOM 0 HD12 LEU A 53 7.070 9.862 5.193 1.00 0.59 H new ATOM 0 HD13 LEU A 53 5.853 8.633 4.772 1.00 0.59 H new ATOM 0 HD21 LEU A 53 7.368 6.272 5.994 1.00 0.87 H new ATOM 0 HD22 LEU A 53 6.590 6.252 4.394 1.00 0.87 H new ATOM 0 HD23 LEU A 53 8.314 5.839 4.550 1.00 0.87 H new ATOM 825 N ASP A 54 9.761 6.991 0.462 1.00 0.23 N ATOM 826 CA ASP A 54 9.710 6.994 -0.996 1.00 0.24 C ATOM 827 C ASP A 54 8.469 6.223 -1.412 1.00 0.24 C ATOM 828 O ASP A 54 8.486 4.996 -1.474 1.00 0.28 O ATOM 829 CB ASP A 54 10.970 6.358 -1.595 1.00 0.26 C ATOM 830 CG ASP A 54 10.913 6.259 -3.110 1.00 0.39 C ATOM 831 OD1 ASP A 54 10.579 7.266 -3.770 1.00 0.96 O ATOM 832 OD2 ASP A 54 11.240 5.182 -3.653 1.00 1.03 O ATOM 0 H ASP A 54 10.061 6.105 0.868 1.00 0.23 H new ATOM 0 HA ASP A 54 9.666 8.018 -1.367 1.00 0.24 H new ATOM 0 HB2 ASP A 54 11.841 6.946 -1.306 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.104 5.361 -1.175 1.00 0.26 H new ATOM 837 N ILE A 55 7.384 6.949 -1.651 1.00 0.24 N ATOM 838 CA ILE A 55 6.111 6.335 -1.996 1.00 0.27 C ATOM 839 C ILE A 55 5.817 6.411 -3.485 1.00 0.26 C ATOM 840 O ILE A 55 5.868 7.487 -4.084 1.00 0.34 O ATOM 841 CB ILE A 55 4.955 7.017 -1.239 1.00 0.34 C ATOM 842 CG1 ILE A 55 5.332 7.224 0.227 1.00 0.46 C ATOM 843 CG2 ILE A 55 3.679 6.194 -1.346 1.00 0.40 C ATOM 844 CD1 ILE A 55 4.633 8.401 0.863 1.00 0.68 C ATOM 0 H ILE A 55 7.362 7.968 -1.612 1.00 0.24 H new ATOM 0 HA ILE A 55 6.190 5.287 -1.708 1.00 0.27 H new ATOM 0 HB ILE A 55 4.773 7.990 -1.696 1.00 0.34 H new ATOM 0 HG12 ILE A 55 5.091 6.321 0.788 1.00 0.46 H new ATOM 0 HG13 ILE A 55 6.410 7.367 0.301 1.00 0.46 H new ATOM 0 HG21 ILE A 55 2.877 6.695 -0.804 1.00 0.40 H new ATOM 0 HG22 ILE A 55 3.400 6.091 -2.394 1.00 0.40 H new ATOM 0 HG23 ILE A 55 3.846 5.206 -0.916 1.00 0.40 H new ATOM 0 HD11 ILE A 55 4.946 8.491 1.903 1.00 0.68 H new ATOM 0 HD12 ILE A 55 4.894 9.313 0.326 1.00 0.68 H new ATOM 0 HD13 ILE A 55 3.554 8.250 0.820 1.00 0.68 H new ATOM 856 N LEU A 56 5.503 5.266 -4.076 1.00 0.30 N ATOM 857 CA LEU A 56 5.169 5.198 -5.490 1.00 0.32 C ATOM 858 C LEU A 56 3.705 4.788 -5.659 1.00 0.33 C ATOM 859 O LEU A 56 3.294 3.712 -5.218 1.00 0.39 O ATOM 860 CB LEU A 56 6.086 4.206 -6.210 1.00 0.37 C ATOM 861 CG LEU A 56 5.781 3.992 -7.698 1.00 0.42 C ATOM 862 CD1 LEU A 56 6.139 5.227 -8.510 1.00 0.45 C ATOM 863 CD2 LEU A 56 6.525 2.775 -8.219 1.00 0.46 C ATOM 0 H LEU A 56 5.473 4.368 -3.594 1.00 0.30 H new ATOM 0 HA LEU A 56 5.314 6.183 -5.933 1.00 0.32 H new ATOM 0 HB2 LEU A 56 7.115 4.552 -6.113 1.00 0.37 H new ATOM 0 HB3 LEU A 56 6.024 3.244 -5.701 1.00 0.37 H new ATOM 0 HG LEU A 56 4.710 3.818 -7.806 1.00 0.42 H new ATOM 0 HD11 LEU A 56 5.913 5.049 -9.561 1.00 0.45 H new ATOM 0 HD12 LEU A 56 5.559 6.078 -8.153 1.00 0.45 H new ATOM 0 HD13 LEU A 56 7.202 5.440 -8.398 1.00 0.45 H new ATOM 0 HD21 LEU A 56 6.299 2.635 -9.276 1.00 0.46 H new ATOM 0 HD22 LEU A 56 7.598 2.923 -8.094 1.00 0.46 H new ATOM 0 HD23 LEU A 56 6.213 1.892 -7.662 1.00 0.46 H new ATOM 875 N ASP A 57 2.925 5.656 -6.286 1.00 0.32 N ATOM 876 CA ASP A 57 1.510 5.388 -6.524 1.00 0.34 C ATOM 877 C ASP A 57 1.330 4.678 -7.858 1.00 0.36 C ATOM 878 O ASP A 57 1.371 5.304 -8.914 1.00 0.40 O ATOM 879 CB ASP A 57 0.707 6.695 -6.482 1.00 0.35 C ATOM 880 CG ASP A 57 -0.682 6.587 -7.093 1.00 0.37 C ATOM 881 OD1 ASP A 57 -1.486 5.713 -6.736 1.00 0.37 O ATOM 882 OD2 ASP A 57 -1.056 7.396 -7.949 1.00 0.44 O ATOM 0 H ASP A 57 3.247 6.556 -6.641 1.00 0.32 H new ATOM 0 HA ASP A 57 1.134 4.735 -5.736 1.00 0.34 H new ATOM 0 HB2 ASP A 57 0.613 7.018 -5.445 1.00 0.35 H new ATOM 0 HB3 ASP A 57 1.265 7.470 -7.008 1.00 0.35 H new ATOM 887 N THR A 58 1.145 3.368 -7.793 1.00 0.40 N ATOM 888 CA THR A 58 0.991 2.550 -8.984 1.00 0.44 C ATOM 889 C THR A 58 -0.244 2.926 -9.798 1.00 0.41 C ATOM 890 O THR A 58 -1.320 3.185 -9.251 1.00 0.49 O ATOM 891 CB THR A 58 0.923 1.056 -8.621 1.00 0.53 C ATOM 892 OG1 THR A 58 0.007 0.847 -7.531 1.00 0.61 O ATOM 893 CG2 THR A 58 2.299 0.529 -8.248 1.00 0.73 C ATOM 0 H THR A 58 1.098 2.846 -6.918 1.00 0.40 H new ATOM 0 HA THR A 58 1.871 2.740 -9.599 1.00 0.44 H new ATOM 0 HB THR A 58 0.566 0.511 -9.495 1.00 0.53 H new ATOM 0 HG1 THR A 58 0.485 0.937 -6.680 1.00 0.61 H new ATOM 0 HG21 THR A 58 2.227 -0.529 -7.995 1.00 0.73 H new ATOM 0 HG22 THR A 58 2.978 0.655 -9.091 1.00 0.73 H new ATOM 0 HG23 THR A 58 2.680 1.082 -7.390 1.00 0.73 H new ATOM 901 N ALA A 59 -0.074 2.948 -11.112 1.00 0.41 N ATOM 902 CA ALA A 59 -1.156 3.267 -12.027 1.00 0.39 C ATOM 903 C ALA A 59 -1.995 2.022 -12.300 1.00 0.40 C ATOM 904 O ALA A 59 -3.215 2.103 -12.439 1.00 0.56 O ATOM 905 CB ALA A 59 -0.602 3.828 -13.326 1.00 0.43 C ATOM 0 H ALA A 59 0.814 2.746 -11.571 1.00 0.41 H new ATOM 0 HA ALA A 59 -1.792 4.024 -11.568 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -1.425 4.062 -14.001 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -0.034 4.735 -13.118 1.00 0.43 H new ATOM 0 HB3 ALA A 59 0.051 3.090 -13.792 1.00 0.43 H new ATOM 911 N GLY A 60 -1.334 0.869 -12.370 1.00 0.42 N ATOM 912 CA GLY A 60 -2.032 -0.377 -12.619 1.00 0.46 C ATOM 913 C GLY A 60 -1.315 -1.229 -13.648 1.00 0.47 C ATOM 914 O GLY A 60 -0.662 -2.218 -13.304 1.00 0.72 O ATOM 0 H GLY A 60 -0.324 0.778 -12.258 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -2.125 -0.934 -11.687 1.00 0.46 H new ATOM 0 HA3 GLY A 60 -3.044 -0.164 -12.965 1.00 0.46 H new ATOM 918 N GLN A 61 -1.424 -0.832 -14.908 1.00 0.43 N ATOM 919 CA GLN A 61 -0.784 -1.548 -16.004 1.00 0.51 C ATOM 920 C GLN A 61 0.376 -0.728 -16.548 1.00 0.44 C ATOM 921 O GLN A 61 0.187 0.391 -17.034 1.00 0.63 O ATOM 922 CB GLN A 61 -1.795 -1.832 -17.119 1.00 0.71 C ATOM 923 CG GLN A 61 -2.904 -2.785 -16.705 1.00 0.80 C ATOM 924 CD GLN A 61 -2.434 -4.223 -16.613 1.00 1.04 C ATOM 925 OE1 GLN A 61 -1.633 -4.685 -17.425 1.00 1.23 O ATOM 926 NE2 GLN A 61 -2.927 -4.932 -15.616 1.00 1.26 N ATOM 0 H GLN A 61 -1.954 -0.011 -15.199 1.00 0.43 H new ATOM 0 HA GLN A 61 -0.405 -2.499 -15.629 1.00 0.51 H new ATOM 0 HB2 GLN A 61 -2.238 -0.891 -17.445 1.00 0.71 H new ATOM 0 HB3 GLN A 61 -1.269 -2.250 -17.977 1.00 0.71 H new ATOM 0 HG2 GLN A 61 -3.303 -2.475 -15.739 1.00 0.80 H new ATOM 0 HG3 GLN A 61 -3.721 -2.719 -17.423 1.00 0.80 H new ATOM 0 HE21 GLN A 61 -3.589 -4.507 -14.967 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -2.646 -5.905 -15.494 1.00 1.26 H new ATOM 935 N GLU A 62 1.576 -1.276 -16.447 1.00 0.51 N ATOM 936 CA GLU A 62 2.757 -0.582 -16.930 1.00 0.54 C ATOM 937 C GLU A 62 3.006 -0.913 -18.397 1.00 0.54 C ATOM 938 O GLU A 62 2.464 -1.889 -18.919 1.00 0.59 O ATOM 939 CB GLU A 62 3.987 -0.936 -16.089 1.00 0.70 C ATOM 940 CG GLU A 62 4.575 0.256 -15.343 1.00 0.81 C ATOM 941 CD GLU A 62 5.111 1.323 -16.282 1.00 0.96 C ATOM 942 OE1 GLU A 62 6.329 1.580 -16.262 1.00 1.57 O ATOM 943 OE2 GLU A 62 4.312 1.909 -17.052 1.00 1.43 O ATOM 0 H GLU A 62 1.757 -2.193 -16.038 1.00 0.51 H new ATOM 0 HA GLU A 62 2.580 0.489 -16.837 1.00 0.54 H new ATOM 0 HB2 GLU A 62 3.715 -1.708 -15.369 1.00 0.70 H new ATOM 0 HB3 GLU A 62 4.752 -1.361 -16.739 1.00 0.70 H new ATOM 0 HG2 GLU A 62 3.810 0.692 -14.701 1.00 0.81 H new ATOM 0 HG3 GLU A 62 5.379 -0.088 -14.692 1.00 0.81 H new ATOM 950 N GLU A 63 3.821 -0.087 -19.048 1.00 0.55 N ATOM 951 CA GLU A 63 4.157 -0.270 -20.460 1.00 0.59 C ATOM 952 C GLU A 63 4.735 -1.660 -20.714 1.00 0.47 C ATOM 953 O GLU A 63 4.279 -2.385 -21.599 1.00 0.50 O ATOM 954 CB GLU A 63 5.145 0.815 -20.900 1.00 0.70 C ATOM 955 CG GLU A 63 5.617 0.676 -22.340 1.00 0.96 C ATOM 956 CD GLU A 63 6.253 1.945 -22.872 1.00 1.10 C ATOM 957 OE1 GLU A 63 7.289 2.376 -22.327 1.00 1.32 O ATOM 958 OE2 GLU A 63 5.716 2.517 -23.841 1.00 1.38 O ATOM 0 H GLU A 63 4.265 0.723 -18.616 1.00 0.55 H new ATOM 0 HA GLU A 63 3.244 -0.181 -21.049 1.00 0.59 H new ATOM 0 HB2 GLU A 63 4.676 1.791 -20.775 1.00 0.70 H new ATOM 0 HB3 GLU A 63 6.012 0.791 -20.240 1.00 0.70 H new ATOM 0 HG2 GLU A 63 6.336 -0.141 -22.405 1.00 0.96 H new ATOM 0 HG3 GLU A 63 4.770 0.407 -22.971 1.00 0.96 H new ATOM 965 N TYR A 64 5.744 -2.025 -19.938 1.00 0.40 N ATOM 966 CA TYR A 64 6.369 -3.330 -20.069 1.00 0.34 C ATOM 967 C TYR A 64 6.394 -4.022 -18.717 1.00 0.30 C ATOM 968 O TYR A 64 6.492 -3.360 -17.680 1.00 0.30 O ATOM 969 CB TYR A 64 7.791 -3.209 -20.634 1.00 0.36 C ATOM 970 CG TYR A 64 7.844 -2.644 -22.038 1.00 0.44 C ATOM 971 CD1 TYR A 64 7.057 -3.178 -23.052 1.00 0.59 C ATOM 972 CD2 TYR A 64 8.679 -1.580 -22.350 1.00 0.66 C ATOM 973 CE1 TYR A 64 7.103 -2.667 -24.333 1.00 0.68 C ATOM 974 CE2 TYR A 64 8.728 -1.063 -23.630 1.00 0.76 C ATOM 975 CZ TYR A 64 7.938 -1.610 -24.617 1.00 0.67 C ATOM 976 OH TYR A 64 7.984 -1.101 -25.896 1.00 0.81 O ATOM 0 H TYR A 64 6.147 -1.434 -19.211 1.00 0.40 H new ATOM 0 HA TYR A 64 5.783 -3.926 -20.769 1.00 0.34 H new ATOM 0 HB2 TYR A 64 8.381 -2.574 -19.974 1.00 0.36 H new ATOM 0 HB3 TYR A 64 8.258 -4.194 -20.631 1.00 0.36 H new ATOM 0 HD1 TYR A 64 6.399 -4.006 -22.834 1.00 0.59 H new ATOM 0 HD2 TYR A 64 9.301 -1.149 -21.579 1.00 0.66 H new ATOM 0 HE1 TYR A 64 6.486 -3.095 -25.110 1.00 0.68 H new ATOM 0 HE2 TYR A 64 9.382 -0.234 -23.856 1.00 0.76 H new ATOM 0 HH TYR A 64 8.622 -0.358 -25.929 1.00 0.81 H new ATOM 986 N SER A 65 6.302 -5.346 -18.724 1.00 0.32 N ATOM 987 CA SER A 65 6.304 -6.127 -17.491 1.00 0.34 C ATOM 988 C SER A 65 7.606 -5.936 -16.713 1.00 0.30 C ATOM 989 O SER A 65 7.604 -5.906 -15.482 1.00 0.35 O ATOM 990 CB SER A 65 6.099 -7.604 -17.819 1.00 0.40 C ATOM 991 OG SER A 65 5.584 -7.762 -19.132 1.00 0.63 O ATOM 0 H SER A 65 6.225 -5.905 -19.574 1.00 0.32 H new ATOM 0 HA SER A 65 5.486 -5.776 -16.862 1.00 0.34 H new ATOM 0 HB2 SER A 65 7.046 -8.136 -17.729 1.00 0.40 H new ATOM 0 HB3 SER A 65 5.413 -8.049 -17.098 1.00 0.40 H new ATOM 0 HG SER A 65 5.462 -8.715 -19.323 1.00 0.63 H new ATOM 997 N ALA A 66 8.710 -5.782 -17.438 1.00 0.26 N ATOM 998 CA ALA A 66 10.018 -5.589 -16.815 1.00 0.26 C ATOM 999 C ALA A 66 10.058 -4.296 -16.002 1.00 0.26 C ATOM 1000 O ALA A 66 10.738 -4.218 -14.981 1.00 0.32 O ATOM 1001 CB ALA A 66 11.119 -5.582 -17.868 1.00 0.26 C ATOM 0 H ALA A 66 8.726 -5.787 -18.458 1.00 0.26 H new ATOM 0 HA ALA A 66 10.188 -6.424 -16.135 1.00 0.26 H new ATOM 0 HB1 ALA A 66 12.085 -5.437 -17.384 1.00 0.26 H new ATOM 0 HB2 ALA A 66 11.119 -6.533 -18.401 1.00 0.26 H new ATOM 0 HB3 ALA A 66 10.942 -4.771 -18.574 1.00 0.26 H new ATOM 1007 N MET A 67 9.309 -3.292 -16.450 1.00 0.25 N ATOM 1008 CA MET A 67 9.258 -2.002 -15.764 1.00 0.30 C ATOM 1009 C MET A 67 8.434 -2.127 -14.490 1.00 0.30 C ATOM 1010 O MET A 67 8.694 -1.454 -13.492 1.00 0.34 O ATOM 1011 CB MET A 67 8.660 -0.933 -16.679 1.00 0.36 C ATOM 1012 CG MET A 67 9.400 -0.788 -17.999 1.00 0.50 C ATOM 1013 SD MET A 67 8.623 0.404 -19.104 1.00 0.63 S ATOM 1014 CE MET A 67 8.954 1.926 -18.220 1.00 0.69 C ATOM 0 H MET A 67 8.728 -3.346 -17.286 1.00 0.25 H new ATOM 0 HA MET A 67 10.273 -1.702 -15.503 1.00 0.30 H new ATOM 0 HB2 MET A 67 7.617 -1.179 -16.880 1.00 0.36 H new ATOM 0 HB3 MET A 67 8.667 0.025 -16.159 1.00 0.36 H new ATOM 0 HG2 MET A 67 10.427 -0.480 -17.803 1.00 0.50 H new ATOM 0 HG3 MET A 67 9.447 -1.758 -18.493 1.00 0.50 H new ATOM 0 HE1 MET A 67 8.013 2.375 -17.903 1.00 0.69 H new ATOM 0 HE2 MET A 67 9.567 1.712 -17.345 1.00 0.69 H new ATOM 0 HE3 MET A 67 9.484 2.619 -18.874 1.00 0.69 H new ATOM 1024 N ARG A 68 7.446 -3.009 -14.535 1.00 0.31 N ATOM 1025 CA ARG A 68 6.579 -3.255 -13.394 1.00 0.36 C ATOM 1026 C ARG A 68 7.324 -4.064 -12.342 1.00 0.37 C ATOM 1027 O ARG A 68 7.305 -3.741 -11.155 1.00 0.41 O ATOM 1028 CB ARG A 68 5.327 -4.005 -13.847 1.00 0.43 C ATOM 1029 CG ARG A 68 4.465 -4.511 -12.707 1.00 0.55 C ATOM 1030 CD ARG A 68 3.635 -5.707 -13.142 1.00 0.62 C ATOM 1031 NE ARG A 68 4.469 -6.872 -13.448 1.00 0.64 N ATOM 1032 CZ ARG A 68 4.139 -7.830 -14.309 1.00 0.76 C ATOM 1033 NH1 ARG A 68 2.987 -7.781 -14.971 1.00 0.90 N ATOM 1034 NH2 ARG A 68 4.968 -8.845 -14.500 1.00 0.86 N ATOM 0 H ARG A 68 7.224 -3.570 -15.357 1.00 0.31 H new ATOM 0 HA ARG A 68 6.281 -2.301 -12.958 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.729 -3.346 -14.476 1.00 0.43 H new ATOM 0 HB3 ARG A 68 5.627 -4.851 -14.466 1.00 0.43 H new ATOM 0 HG2 ARG A 68 5.097 -4.790 -11.864 1.00 0.55 H new ATOM 0 HG3 ARG A 68 3.807 -3.713 -12.362 1.00 0.55 H new ATOM 0 HD2 ARG A 68 2.928 -5.964 -12.353 1.00 0.62 H new ATOM 0 HD3 ARG A 68 3.048 -5.440 -14.021 1.00 0.62 H new ATOM 0 HE ARG A 68 5.365 -6.954 -12.967 1.00 0.64 H new ATOM 0 HH11 ARG A 68 2.345 -7.002 -14.821 1.00 0.90 H new ATOM 0 HH12 ARG A 68 2.745 -8.522 -15.629 1.00 0.90 H new ATOM 0 HH21 ARG A 68 5.850 -8.886 -13.989 1.00 0.86 H new ATOM 0 HH22 ARG A 68 4.725 -9.585 -15.158 1.00 0.86 H new ATOM 1048 N ASP A 69 7.995 -5.112 -12.800 1.00 0.37 N ATOM 1049 CA ASP A 69 8.761 -5.990 -11.920 1.00 0.42 C ATOM 1050 C ASP A 69 9.930 -5.233 -11.310 1.00 0.36 C ATOM 1051 O ASP A 69 10.426 -5.587 -10.240 1.00 0.42 O ATOM 1052 CB ASP A 69 9.287 -7.206 -12.692 1.00 0.58 C ATOM 1053 CG ASP A 69 8.192 -8.188 -13.071 1.00 0.78 C ATOM 1054 OD1 ASP A 69 7.001 -7.874 -12.878 1.00 0.94 O ATOM 1055 OD2 ASP A 69 8.523 -9.286 -13.577 1.00 1.41 O ATOM 0 H ASP A 69 8.025 -5.378 -13.784 1.00 0.37 H new ATOM 0 HA ASP A 69 8.099 -6.335 -11.126 1.00 0.42 H new ATOM 0 HB2 ASP A 69 9.791 -6.865 -13.597 1.00 0.58 H new ATOM 0 HB3 ASP A 69 10.034 -7.719 -12.086 1.00 0.58 H new ATOM 1060 N GLN A 70 10.353 -4.182 -12.006 1.00 0.32 N ATOM 1061 CA GLN A 70 11.470 -3.348 -11.575 1.00 0.31 C ATOM 1062 C GLN A 70 11.223 -2.750 -10.187 1.00 0.26 C ATOM 1063 O GLN A 70 12.009 -2.969 -9.262 1.00 0.33 O ATOM 1064 CB GLN A 70 11.705 -2.228 -12.591 1.00 0.34 C ATOM 1065 CG GLN A 70 13.101 -1.631 -12.551 1.00 0.43 C ATOM 1066 CD GLN A 70 13.256 -0.467 -13.504 1.00 0.96 C ATOM 1067 OE1 GLN A 70 13.550 -0.648 -14.689 1.00 1.51 O ATOM 1068 NE2 GLN A 70 13.083 0.737 -12.991 1.00 1.30 N ATOM 0 H GLN A 70 9.931 -3.884 -12.885 1.00 0.32 H new ATOM 0 HA GLN A 70 12.356 -3.979 -11.514 1.00 0.31 H new ATOM 0 HB2 GLN A 70 11.517 -2.616 -13.592 1.00 0.34 H new ATOM 0 HB3 GLN A 70 10.978 -1.435 -12.415 1.00 0.34 H new ATOM 0 HG2 GLN A 70 13.323 -1.299 -11.537 1.00 0.43 H new ATOM 0 HG3 GLN A 70 13.830 -2.402 -12.801 1.00 0.43 H new ATOM 0 HE21 GLN A 70 12.840 0.842 -12.006 1.00 1.30 H new ATOM 0 HE22 GLN A 70 13.192 1.563 -13.580 1.00 1.30 H new ATOM 1077 N TYR A 71 10.117 -2.024 -10.035 1.00 0.23 N ATOM 1078 CA TYR A 71 9.803 -1.393 -8.751 1.00 0.27 C ATOM 1079 C TYR A 71 9.368 -2.425 -7.715 1.00 0.24 C ATOM 1080 O TYR A 71 9.321 -2.135 -6.517 1.00 0.29 O ATOM 1081 CB TYR A 71 8.758 -0.268 -8.901 1.00 0.37 C ATOM 1082 CG TYR A 71 7.389 -0.690 -9.385 1.00 0.44 C ATOM 1083 CD1 TYR A 71 6.469 -1.260 -8.519 1.00 0.53 C ATOM 1084 CD2 TYR A 71 7.002 -0.475 -10.703 1.00 0.67 C ATOM 1085 CE1 TYR A 71 5.205 -1.610 -8.949 1.00 0.77 C ATOM 1086 CE2 TYR A 71 5.740 -0.826 -11.144 1.00 0.86 C ATOM 1087 CZ TYR A 71 4.844 -1.394 -10.264 1.00 0.90 C ATOM 1088 OH TYR A 71 3.579 -1.739 -10.698 1.00 1.17 O ATOM 0 H TYR A 71 9.431 -1.858 -10.772 1.00 0.23 H new ATOM 0 HA TYR A 71 10.721 -0.929 -8.389 1.00 0.27 H new ATOM 0 HB2 TYR A 71 8.643 0.224 -7.935 1.00 0.37 H new ATOM 0 HB3 TYR A 71 9.152 0.476 -9.593 1.00 0.37 H new ATOM 0 HD1 TYR A 71 6.746 -1.433 -7.490 1.00 0.53 H new ATOM 0 HD2 TYR A 71 7.700 -0.026 -11.394 1.00 0.67 H new ATOM 0 HE1 TYR A 71 4.501 -2.051 -8.259 1.00 0.77 H new ATOM 0 HE2 TYR A 71 5.457 -0.656 -12.172 1.00 0.86 H new ATOM 0 HH TYR A 71 3.488 -1.520 -11.649 1.00 1.17 H new ATOM 1098 N MET A 72 9.057 -3.633 -8.178 1.00 0.24 N ATOM 1099 CA MET A 72 8.662 -4.716 -7.285 1.00 0.28 C ATOM 1100 C MET A 72 9.897 -5.273 -6.585 1.00 0.31 C ATOM 1101 O MET A 72 9.824 -5.773 -5.467 1.00 0.44 O ATOM 1102 CB MET A 72 7.958 -5.842 -8.055 1.00 0.36 C ATOM 1103 CG MET A 72 6.551 -5.499 -8.518 1.00 0.39 C ATOM 1104 SD MET A 72 5.615 -6.957 -9.025 1.00 0.51 S ATOM 1105 CE MET A 72 4.019 -6.232 -9.393 1.00 0.70 C ATOM 0 H MET A 72 9.071 -3.885 -9.166 1.00 0.24 H new ATOM 0 HA MET A 72 7.964 -4.316 -6.550 1.00 0.28 H new ATOM 0 HB2 MET A 72 8.561 -6.103 -8.925 1.00 0.36 H new ATOM 0 HB3 MET A 72 7.913 -6.727 -7.421 1.00 0.36 H new ATOM 0 HG2 MET A 72 6.020 -4.993 -7.712 1.00 0.39 H new ATOM 0 HG3 MET A 72 6.607 -4.799 -9.352 1.00 0.39 H new ATOM 0 HE1 MET A 72 3.550 -6.781 -10.210 1.00 0.70 H new ATOM 0 HE2 MET A 72 3.383 -6.283 -8.509 1.00 0.70 H new ATOM 0 HE3 MET A 72 4.151 -5.190 -9.685 1.00 0.70 H new ATOM 1115 N ARG A 73 11.037 -5.173 -7.257 1.00 0.25 N ATOM 1116 CA ARG A 73 12.291 -5.669 -6.709 1.00 0.30 C ATOM 1117 C ARG A 73 12.928 -4.645 -5.780 1.00 0.27 C ATOM 1118 O ARG A 73 13.567 -5.004 -4.790 1.00 0.34 O ATOM 1119 CB ARG A 73 13.268 -6.001 -7.834 1.00 0.37 C ATOM 1120 CG ARG A 73 12.757 -7.054 -8.801 1.00 0.45 C ATOM 1121 CD ARG A 73 13.744 -7.288 -9.937 1.00 0.50 C ATOM 1122 NE ARG A 73 14.166 -6.034 -10.574 1.00 0.80 N ATOM 1123 CZ ARG A 73 14.504 -5.917 -11.865 1.00 0.81 C ATOM 1124 NH1 ARG A 73 14.467 -6.971 -12.668 1.00 1.19 N ATOM 1125 NH2 ARG A 73 14.888 -4.744 -12.345 1.00 1.29 N ATOM 0 H ARG A 73 11.118 -4.753 -8.183 1.00 0.25 H new ATOM 0 HA ARG A 73 12.068 -6.571 -6.139 1.00 0.30 H new ATOM 0 HB2 ARG A 73 13.491 -5.090 -8.389 1.00 0.37 H new ATOM 0 HB3 ARG A 73 14.205 -6.346 -7.398 1.00 0.37 H new ATOM 0 HG2 ARG A 73 12.586 -7.989 -8.267 1.00 0.45 H new ATOM 0 HG3 ARG A 73 11.797 -6.740 -9.210 1.00 0.45 H new ATOM 0 HD2 ARG A 73 14.620 -7.811 -9.553 1.00 0.50 H new ATOM 0 HD3 ARG A 73 13.288 -7.937 -10.684 1.00 0.50 H new ATOM 0 HE ARG A 73 14.204 -5.196 -9.994 1.00 0.80 H new ATOM 0 HH11 ARG A 73 14.180 -7.880 -12.304 1.00 1.19 H new ATOM 0 HH12 ARG A 73 14.726 -6.874 -13.650 1.00 1.19 H new ATOM 0 HH21 ARG A 73 14.926 -3.930 -11.732 1.00 1.29 H new ATOM 0 HH22 ARG A 73 15.145 -4.655 -13.328 1.00 1.29 H new ATOM 1139 N THR A 74 12.755 -3.374 -6.103 1.00 0.23 N ATOM 1140 CA THR A 74 13.324 -2.304 -5.304 1.00 0.23 C ATOM 1141 C THR A 74 12.496 -2.036 -4.055 1.00 0.20 C ATOM 1142 O THR A 74 13.021 -1.573 -3.039 1.00 0.24 O ATOM 1143 CB THR A 74 13.451 -1.015 -6.129 1.00 0.26 C ATOM 1144 OG1 THR A 74 12.486 -1.025 -7.188 1.00 0.64 O ATOM 1145 CG2 THR A 74 14.846 -0.890 -6.715 1.00 0.72 C ATOM 0 H THR A 74 12.224 -3.059 -6.915 1.00 0.23 H new ATOM 0 HA THR A 74 14.317 -2.628 -4.993 1.00 0.23 H new ATOM 0 HB THR A 74 13.270 -0.163 -5.474 1.00 0.26 H new ATOM 0 HG1 THR A 74 12.567 -0.201 -7.712 1.00 0.64 H new ATOM 0 HG21 THR A 74 14.916 0.030 -7.296 1.00 0.72 H new ATOM 0 HG22 THR A 74 15.579 -0.866 -5.908 1.00 0.72 H new ATOM 0 HG23 THR A 74 15.047 -1.744 -7.362 1.00 0.72 H new ATOM 1153 N GLY A 75 11.210 -2.344 -4.133 1.00 0.17 N ATOM 1154 CA GLY A 75 10.321 -2.127 -3.011 1.00 0.16 C ATOM 1155 C GLY A 75 10.654 -3.006 -1.822 1.00 0.14 C ATOM 1156 O GLY A 75 10.739 -4.229 -1.946 1.00 0.19 O ATOM 0 H GLY A 75 10.764 -2.743 -4.959 1.00 0.17 H new ATOM 0 HA2 GLY A 75 10.372 -1.081 -2.710 1.00 0.16 H new ATOM 0 HA3 GLY A 75 9.295 -2.319 -3.324 1.00 0.16 H new ATOM 1160 N GLU A 76 10.849 -2.381 -0.670 1.00 0.16 N ATOM 1161 CA GLU A 76 11.163 -3.101 0.551 1.00 0.20 C ATOM 1162 C GLU A 76 9.876 -3.421 1.304 1.00 0.23 C ATOM 1163 O GLU A 76 9.809 -4.393 2.059 1.00 0.34 O ATOM 1164 CB GLU A 76 12.100 -2.269 1.423 1.00 0.26 C ATOM 1165 CG GLU A 76 13.375 -1.868 0.708 1.00 0.30 C ATOM 1166 CD GLU A 76 14.162 -0.816 1.458 1.00 0.34 C ATOM 1167 OE1 GLU A 76 13.802 0.379 1.370 1.00 0.43 O ATOM 1168 OE2 GLU A 76 15.152 -1.174 2.130 1.00 0.54 O ATOM 0 H GLU A 76 10.794 -1.369 -0.557 1.00 0.16 H new ATOM 0 HA GLU A 76 11.665 -4.035 0.299 1.00 0.20 H new ATOM 0 HB2 GLU A 76 11.578 -1.371 1.754 1.00 0.26 H new ATOM 0 HB3 GLU A 76 12.355 -2.837 2.318 1.00 0.26 H new ATOM 0 HG2 GLU A 76 13.999 -2.750 0.566 1.00 0.30 H new ATOM 0 HG3 GLU A 76 13.127 -1.491 -0.284 1.00 0.30 H new ATOM 1175 N GLY A 77 8.855 -2.601 1.078 1.00 0.21 N ATOM 1176 CA GLY A 77 7.569 -2.804 1.716 1.00 0.23 C ATOM 1177 C GLY A 77 6.438 -2.483 0.764 1.00 0.17 C ATOM 1178 O GLY A 77 6.556 -1.571 -0.056 1.00 0.26 O ATOM 0 H GLY A 77 8.898 -1.792 0.458 1.00 0.21 H new ATOM 0 HA2 GLY A 77 7.484 -3.837 2.052 1.00 0.23 H new ATOM 0 HA3 GLY A 77 7.494 -2.173 2.602 1.00 0.23 H new ATOM 1182 N PHE A 78 5.354 -3.235 0.844 1.00 0.11 N ATOM 1183 CA PHE A 78 4.221 -3.010 -0.037 1.00 0.17 C ATOM 1184 C PHE A 78 2.931 -2.846 0.754 1.00 0.17 C ATOM 1185 O PHE A 78 2.633 -3.627 1.659 1.00 0.20 O ATOM 1186 CB PHE A 78 4.085 -4.158 -1.042 1.00 0.24 C ATOM 1187 CG PHE A 78 5.292 -4.328 -1.919 1.00 0.28 C ATOM 1188 CD1 PHE A 78 6.325 -5.172 -1.540 1.00 0.29 C ATOM 1189 CD2 PHE A 78 5.395 -3.645 -3.121 1.00 0.43 C ATOM 1190 CE1 PHE A 78 7.438 -5.328 -2.343 1.00 0.35 C ATOM 1191 CE2 PHE A 78 6.506 -3.799 -3.927 1.00 0.48 C ATOM 1192 CZ PHE A 78 7.528 -4.641 -3.537 1.00 0.40 C ATOM 0 H PHE A 78 5.234 -4.002 1.506 1.00 0.11 H new ATOM 0 HA PHE A 78 4.403 -2.084 -0.583 1.00 0.17 H new ATOM 0 HB2 PHE A 78 3.905 -5.086 -0.500 1.00 0.24 H new ATOM 0 HB3 PHE A 78 3.211 -3.981 -1.669 1.00 0.24 H new ATOM 0 HD1 PHE A 78 6.259 -5.713 -0.608 1.00 0.29 H new ATOM 0 HD2 PHE A 78 4.598 -2.985 -3.431 1.00 0.43 H new ATOM 0 HE1 PHE A 78 8.237 -5.987 -2.037 1.00 0.35 H new ATOM 0 HE2 PHE A 78 6.575 -3.261 -4.861 1.00 0.48 H new ATOM 0 HZ PHE A 78 8.398 -4.762 -4.166 1.00 0.40 H new ATOM 1202 N LEU A 79 2.176 -1.819 0.412 1.00 0.19 N ATOM 1203 CA LEU A 79 0.911 -1.544 1.070 1.00 0.20 C ATOM 1204 C LEU A 79 -0.230 -2.037 0.195 1.00 0.21 C ATOM 1205 O LEU A 79 -0.462 -1.492 -0.882 1.00 0.24 O ATOM 1206 CB LEU A 79 0.763 -0.042 1.325 1.00 0.23 C ATOM 1207 CG LEU A 79 -0.259 0.341 2.392 1.00 0.26 C ATOM 1208 CD1 LEU A 79 0.363 0.276 3.776 1.00 0.37 C ATOM 1209 CD2 LEU A 79 -0.811 1.732 2.123 1.00 0.27 C ATOM 0 H LEU A 79 2.419 -1.156 -0.324 1.00 0.19 H new ATOM 0 HA LEU A 79 0.885 -2.063 2.028 1.00 0.20 H new ATOM 0 HB2 LEU A 79 1.734 0.358 1.616 1.00 0.23 H new ATOM 0 HB3 LEU A 79 0.486 0.443 0.389 1.00 0.23 H new ATOM 0 HG LEU A 79 -1.082 -0.373 2.351 1.00 0.26 H new ATOM 0 HD11 LEU A 79 -0.381 0.552 4.523 1.00 0.37 H new ATOM 0 HD12 LEU A 79 0.713 -0.738 3.970 1.00 0.37 H new ATOM 0 HD13 LEU A 79 1.205 0.967 3.830 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.538 1.990 2.893 1.00 0.27 H new ATOM 0 HD22 LEU A 79 0.004 2.456 2.137 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -1.295 1.749 1.146 1.00 0.27 H new ATOM 1221 N CYS A 80 -0.929 -3.065 0.650 1.00 0.21 N ATOM 1222 CA CYS A 80 -2.034 -3.630 -0.111 1.00 0.25 C ATOM 1223 C CYS A 80 -3.339 -2.939 0.254 1.00 0.24 C ATOM 1224 O CYS A 80 -3.910 -3.179 1.319 1.00 0.28 O ATOM 1225 CB CYS A 80 -2.139 -5.129 0.151 1.00 0.31 C ATOM 1226 SG CYS A 80 -0.551 -5.990 0.102 1.00 0.61 S ATOM 0 H CYS A 80 -0.751 -3.526 1.543 1.00 0.21 H new ATOM 0 HA CYS A 80 -1.843 -3.471 -1.172 1.00 0.25 H new ATOM 0 HB2 CYS A 80 -2.597 -5.287 1.127 1.00 0.31 H new ATOM 0 HB3 CYS A 80 -2.805 -5.572 -0.589 1.00 0.31 H new ATOM 0 HG CYS A 80 -0.736 -7.255 0.337 1.00 0.61 H new ATOM 1232 N VAL A 81 -3.808 -2.079 -0.632 1.00 0.29 N ATOM 1233 CA VAL A 81 -5.035 -1.336 -0.399 1.00 0.33 C ATOM 1234 C VAL A 81 -6.199 -1.920 -1.182 1.00 0.30 C ATOM 1235 O VAL A 81 -6.118 -2.096 -2.398 1.00 0.36 O ATOM 1236 CB VAL A 81 -4.875 0.151 -0.779 1.00 0.44 C ATOM 1237 CG1 VAL A 81 -6.123 0.949 -0.412 1.00 0.59 C ATOM 1238 CG2 VAL A 81 -3.643 0.738 -0.114 1.00 0.42 C ATOM 0 H VAL A 81 -3.356 -1.877 -1.524 1.00 0.29 H new ATOM 0 HA VAL A 81 -5.246 -1.415 0.668 1.00 0.33 H new ATOM 0 HB VAL A 81 -4.747 0.214 -1.860 1.00 0.44 H new ATOM 0 HG11 VAL A 81 -5.982 1.993 -0.691 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -6.984 0.544 -0.944 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -6.296 0.881 0.662 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.544 1.787 -0.392 1.00 0.42 H new ATOM 0 HG22 VAL A 81 -3.741 0.657 0.969 1.00 0.42 H new ATOM 0 HG23 VAL A 81 -2.758 0.192 -0.440 1.00 0.42 H new ATOM 1248 N PHE A 82 -7.275 -2.218 -0.475 1.00 0.26 N ATOM 1249 CA PHE A 82 -8.474 -2.745 -1.091 1.00 0.26 C ATOM 1250 C PHE A 82 -9.680 -1.986 -0.560 1.00 0.25 C ATOM 1251 O PHE A 82 -9.603 -1.350 0.493 1.00 0.25 O ATOM 1252 CB PHE A 82 -8.611 -4.254 -0.831 1.00 0.28 C ATOM 1253 CG PHE A 82 -9.115 -4.614 0.548 1.00 0.27 C ATOM 1254 CD1 PHE A 82 -8.241 -4.707 1.621 1.00 0.31 C ATOM 1255 CD2 PHE A 82 -10.463 -4.868 0.767 1.00 0.30 C ATOM 1256 CE1 PHE A 82 -8.702 -5.044 2.881 1.00 0.34 C ATOM 1257 CE2 PHE A 82 -10.925 -5.202 2.025 1.00 0.30 C ATOM 1258 CZ PHE A 82 -10.044 -5.290 3.082 1.00 0.30 C ATOM 0 H PHE A 82 -7.340 -2.101 0.536 1.00 0.26 H new ATOM 0 HA PHE A 82 -8.412 -2.610 -2.171 1.00 0.26 H new ATOM 0 HB2 PHE A 82 -9.289 -4.677 -1.573 1.00 0.28 H new ATOM 0 HB3 PHE A 82 -7.640 -4.725 -0.982 1.00 0.28 H new ATOM 0 HD1 PHE A 82 -7.189 -4.514 1.471 1.00 0.31 H new ATOM 0 HD2 PHE A 82 -11.158 -4.804 -0.057 1.00 0.30 H new ATOM 0 HE1 PHE A 82 -8.011 -5.114 3.708 1.00 0.34 H new ATOM 0 HE2 PHE A 82 -11.976 -5.394 2.181 1.00 0.30 H new ATOM 0 HZ PHE A 82 -10.404 -5.551 4.066 1.00 0.30 H new ATOM 1268 N ALA A 83 -10.783 -2.044 -1.284 1.00 0.28 N ATOM 1269 CA ALA A 83 -11.991 -1.351 -0.878 1.00 0.27 C ATOM 1270 C ALA A 83 -12.980 -2.325 -0.255 1.00 0.28 C ATOM 1271 O ALA A 83 -13.308 -3.354 -0.845 1.00 0.31 O ATOM 1272 CB ALA A 83 -12.611 -0.643 -2.070 1.00 0.32 C ATOM 0 H ALA A 83 -10.867 -2.565 -2.157 1.00 0.28 H new ATOM 0 HA ALA A 83 -11.733 -0.604 -0.127 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -13.517 -0.126 -1.755 1.00 0.32 H new ATOM 0 HB2 ALA A 83 -11.902 0.080 -2.473 1.00 0.32 H new ATOM 0 HB3 ALA A 83 -12.859 -1.375 -2.839 1.00 0.32 H new ATOM 1278 N ILE A 84 -13.465 -1.993 0.936 1.00 0.28 N ATOM 1279 CA ILE A 84 -14.415 -2.856 1.641 1.00 0.31 C ATOM 1280 C ILE A 84 -15.762 -2.926 0.921 1.00 0.31 C ATOM 1281 O ILE A 84 -16.586 -3.793 1.214 1.00 0.33 O ATOM 1282 CB ILE A 84 -14.641 -2.397 3.098 1.00 0.37 C ATOM 1283 CG1 ILE A 84 -15.170 -0.966 3.131 1.00 0.54 C ATOM 1284 CG2 ILE A 84 -13.351 -2.514 3.899 1.00 0.53 C ATOM 1285 CD1 ILE A 84 -16.239 -0.736 4.179 1.00 0.78 C ATOM 0 H ILE A 84 -13.220 -1.138 1.435 1.00 0.28 H new ATOM 0 HA ILE A 84 -13.967 -3.850 1.651 1.00 0.31 H new ATOM 0 HB ILE A 84 -15.387 -3.047 3.555 1.00 0.37 H new ATOM 0 HG12 ILE A 84 -14.339 -0.285 3.317 1.00 0.54 H new ATOM 0 HG13 ILE A 84 -15.575 -0.715 2.151 1.00 0.54 H new ATOM 0 HG21 ILE A 84 -13.528 -2.187 4.923 1.00 0.53 H new ATOM 0 HG22 ILE A 84 -13.018 -3.552 3.902 1.00 0.53 H new ATOM 0 HG23 ILE A 84 -12.583 -1.888 3.445 1.00 0.53 H new ATOM 0 HD11 ILE A 84 -16.566 0.303 4.143 1.00 0.78 H new ATOM 0 HD12 ILE A 84 -17.088 -1.391 3.983 1.00 0.78 H new ATOM 0 HD13 ILE A 84 -15.833 -0.954 5.167 1.00 0.78 H new ATOM 1297 N ASN A 85 -15.984 -2.019 -0.017 1.00 0.33 N ATOM 1298 CA ASN A 85 -17.227 -1.995 -0.770 1.00 0.38 C ATOM 1299 C ASN A 85 -17.029 -2.626 -2.141 1.00 0.36 C ATOM 1300 O ASN A 85 -17.927 -2.606 -2.982 1.00 0.48 O ATOM 1301 CB ASN A 85 -17.739 -0.559 -0.922 1.00 0.51 C ATOM 1302 CG ASN A 85 -16.916 0.271 -1.893 1.00 0.62 C ATOM 1303 OD1 ASN A 85 -15.684 0.260 -1.859 1.00 0.68 O ATOM 1304 ND2 ASN A 85 -17.599 0.997 -2.766 1.00 0.82 N ATOM 0 H ASN A 85 -15.319 -1.290 -0.275 1.00 0.33 H new ATOM 0 HA ASN A 85 -17.970 -2.573 -0.220 1.00 0.38 H new ATOM 0 HB2 ASN A 85 -18.774 -0.583 -1.262 1.00 0.51 H new ATOM 0 HB3 ASN A 85 -17.736 -0.074 0.054 1.00 0.51 H new ATOM 0 HD21 ASN A 85 -17.105 1.576 -3.445 1.00 0.82 H new ATOM 0 HD22 ASN A 85 -18.619 0.977 -2.759 1.00 0.82 H new ATOM 1311 N ASN A 86 -15.848 -3.192 -2.359 1.00 0.34 N ATOM 1312 CA ASN A 86 -15.523 -3.828 -3.630 1.00 0.39 C ATOM 1313 C ASN A 86 -14.828 -5.165 -3.389 1.00 0.33 C ATOM 1314 O ASN A 86 -13.642 -5.216 -3.062 1.00 0.33 O ATOM 1315 CB ASN A 86 -14.630 -2.914 -4.473 1.00 0.53 C ATOM 1316 CG ASN A 86 -14.467 -3.424 -5.890 1.00 0.64 C ATOM 1317 OD1 ASN A 86 -13.661 -4.315 -6.149 1.00 1.07 O ATOM 1318 ND2 ASN A 86 -15.221 -2.855 -6.817 1.00 0.98 N ATOM 0 H ASN A 86 -15.097 -3.223 -1.669 1.00 0.34 H new ATOM 0 HA ASN A 86 -16.450 -4.007 -4.174 1.00 0.39 H new ATOM 0 HB2 ASN A 86 -15.057 -1.912 -4.496 1.00 0.53 H new ATOM 0 HB3 ASN A 86 -13.650 -2.832 -4.003 1.00 0.53 H new ATOM 0 HD21 ASN A 86 -15.145 -3.153 -7.790 1.00 0.98 H new ATOM 0 HD22 ASN A 86 -15.878 -2.118 -6.559 1.00 0.98 H new ATOM 1325 N THR A 87 -15.569 -6.243 -3.563 1.00 0.33 N ATOM 1326 CA THR A 87 -15.049 -7.581 -3.340 1.00 0.32 C ATOM 1327 C THR A 87 -13.977 -7.968 -4.359 1.00 0.30 C ATOM 1328 O THR A 87 -13.097 -8.776 -4.061 1.00 0.30 O ATOM 1329 CB THR A 87 -16.193 -8.604 -3.383 1.00 0.38 C ATOM 1330 OG1 THR A 87 -17.411 -7.938 -3.750 1.00 0.65 O ATOM 1331 CG2 THR A 87 -16.365 -9.290 -2.034 1.00 0.57 C ATOM 0 H THR A 87 -16.544 -6.218 -3.861 1.00 0.33 H new ATOM 0 HA THR A 87 -14.582 -7.583 -2.355 1.00 0.32 H new ATOM 0 HB THR A 87 -15.950 -9.367 -4.122 1.00 0.38 H new ATOM 0 HG1 THR A 87 -18.143 -8.589 -3.780 1.00 0.65 H new ATOM 0 HG21 THR A 87 -17.182 -10.009 -2.093 1.00 0.57 H new ATOM 0 HG22 THR A 87 -15.443 -9.808 -1.769 1.00 0.57 H new ATOM 0 HG23 THR A 87 -16.593 -8.544 -1.273 1.00 0.57 H new ATOM 1339 N LYS A 88 -14.037 -7.385 -5.554 1.00 0.33 N ATOM 1340 CA LYS A 88 -13.063 -7.697 -6.597 1.00 0.35 C ATOM 1341 C LYS A 88 -11.668 -7.207 -6.212 1.00 0.30 C ATOM 1342 O LYS A 88 -10.671 -7.872 -6.501 1.00 0.36 O ATOM 1343 CB LYS A 88 -13.486 -7.086 -7.935 1.00 0.42 C ATOM 1344 CG LYS A 88 -13.006 -7.878 -9.143 1.00 0.49 C ATOM 1345 CD LYS A 88 -13.810 -9.157 -9.325 1.00 0.71 C ATOM 1346 CE LYS A 88 -13.190 -10.070 -10.374 1.00 0.89 C ATOM 1347 NZ LYS A 88 -13.040 -9.394 -11.693 1.00 0.82 N ATOM 0 H LYS A 88 -14.743 -6.700 -5.823 1.00 0.33 H new ATOM 0 HA LYS A 88 -13.028 -8.781 -6.704 1.00 0.35 H new ATOM 0 HB2 LYS A 88 -14.573 -7.015 -7.966 1.00 0.42 H new ATOM 0 HB3 LYS A 88 -13.099 -6.069 -8.000 1.00 0.42 H new ATOM 0 HG2 LYS A 88 -13.090 -7.263 -10.039 1.00 0.49 H new ATOM 0 HG3 LYS A 88 -11.951 -8.124 -9.023 1.00 0.49 H new ATOM 0 HD2 LYS A 88 -13.872 -9.686 -8.374 1.00 0.71 H new ATOM 0 HD3 LYS A 88 -14.830 -8.907 -9.618 1.00 0.71 H new ATOM 0 HE2 LYS A 88 -12.213 -10.407 -10.028 1.00 0.89 H new ATOM 0 HE3 LYS A 88 -13.810 -10.958 -10.492 1.00 0.89 H new ATOM 0 HZ1 LYS A 88 -12.759 -10.092 -12.411 1.00 0.82 H new ATOM 0 HZ2 LYS A 88 -13.945 -8.962 -11.966 1.00 0.82 H new ATOM 0 HZ3 LYS A 88 -12.311 -8.656 -11.624 1.00 0.82 H new ATOM 1361 N SER A 89 -11.595 -6.046 -5.570 1.00 0.27 N ATOM 1362 CA SER A 89 -10.313 -5.502 -5.151 1.00 0.27 C ATOM 1363 C SER A 89 -9.677 -6.411 -4.103 1.00 0.25 C ATOM 1364 O SER A 89 -8.466 -6.615 -4.094 1.00 0.32 O ATOM 1365 CB SER A 89 -10.477 -4.075 -4.613 1.00 0.33 C ATOM 1366 OG SER A 89 -11.238 -4.047 -3.417 1.00 0.64 O ATOM 0 H SER A 89 -12.402 -5.470 -5.331 1.00 0.27 H new ATOM 0 HA SER A 89 -9.652 -5.457 -6.017 1.00 0.27 H new ATOM 0 HB2 SER A 89 -9.494 -3.641 -4.429 1.00 0.33 H new ATOM 0 HB3 SER A 89 -10.963 -3.456 -5.367 1.00 0.33 H new ATOM 0 HG SER A 89 -12.139 -4.388 -3.595 1.00 0.64 H new ATOM 1372 N PHE A 90 -10.514 -6.975 -3.238 1.00 0.24 N ATOM 1373 CA PHE A 90 -10.052 -7.877 -2.196 1.00 0.25 C ATOM 1374 C PHE A 90 -9.576 -9.187 -2.815 1.00 0.27 C ATOM 1375 O PHE A 90 -8.609 -9.795 -2.354 1.00 0.28 O ATOM 1376 CB PHE A 90 -11.179 -8.130 -1.195 1.00 0.29 C ATOM 1377 CG PHE A 90 -10.794 -9.026 -0.052 1.00 0.29 C ATOM 1378 CD1 PHE A 90 -9.846 -8.622 0.878 1.00 0.26 C ATOM 1379 CD2 PHE A 90 -11.388 -10.268 0.096 1.00 0.38 C ATOM 1380 CE1 PHE A 90 -9.498 -9.442 1.934 1.00 0.31 C ATOM 1381 CE2 PHE A 90 -11.044 -11.093 1.149 1.00 0.42 C ATOM 1382 CZ PHE A 90 -10.099 -10.681 2.068 1.00 0.39 C ATOM 0 H PHE A 90 -11.522 -6.820 -3.241 1.00 0.24 H new ATOM 0 HA PHE A 90 -9.214 -7.421 -1.668 1.00 0.25 H new ATOM 0 HB2 PHE A 90 -11.517 -7.174 -0.795 1.00 0.29 H new ATOM 0 HB3 PHE A 90 -12.025 -8.573 -1.721 1.00 0.29 H new ATOM 0 HD1 PHE A 90 -9.375 -7.656 0.775 1.00 0.26 H new ATOM 0 HD2 PHE A 90 -12.128 -10.595 -0.619 1.00 0.38 H new ATOM 0 HE1 PHE A 90 -8.760 -9.117 2.652 1.00 0.31 H new ATOM 0 HE2 PHE A 90 -11.514 -12.060 1.254 1.00 0.42 H new ATOM 0 HZ PHE A 90 -9.829 -11.326 2.891 1.00 0.39 H new ATOM 1392 N GLU A 91 -10.256 -9.606 -3.871 1.00 0.32 N ATOM 1393 CA GLU A 91 -9.907 -10.832 -4.578 1.00 0.40 C ATOM 1394 C GLU A 91 -8.538 -10.695 -5.241 1.00 0.39 C ATOM 1395 O GLU A 91 -7.722 -11.616 -5.205 1.00 0.49 O ATOM 1396 CB GLU A 91 -10.965 -11.146 -5.637 1.00 0.51 C ATOM 1397 CG GLU A 91 -12.213 -11.809 -5.082 1.00 0.59 C ATOM 1398 CD GLU A 91 -12.096 -13.317 -5.042 1.00 0.75 C ATOM 1399 OE1 GLU A 91 -12.624 -13.985 -5.957 1.00 1.44 O ATOM 1400 OE2 GLU A 91 -11.476 -13.845 -4.097 1.00 1.09 O ATOM 0 H GLU A 91 -11.059 -9.112 -4.261 1.00 0.32 H new ATOM 0 HA GLU A 91 -9.868 -11.648 -3.856 1.00 0.40 H new ATOM 0 HB2 GLU A 91 -11.249 -10.221 -6.138 1.00 0.51 H new ATOM 0 HB3 GLU A 91 -10.526 -11.796 -6.394 1.00 0.51 H new ATOM 0 HG2 GLU A 91 -12.403 -11.435 -4.076 1.00 0.59 H new ATOM 0 HG3 GLU A 91 -13.072 -11.530 -5.693 1.00 0.59 H new ATOM 1407 N ASP A 92 -8.291 -9.524 -5.818 1.00 0.35 N ATOM 1408 CA ASP A 92 -7.033 -9.240 -6.505 1.00 0.37 C ATOM 1409 C ASP A 92 -5.848 -9.281 -5.552 1.00 0.31 C ATOM 1410 O ASP A 92 -4.718 -9.556 -5.963 1.00 0.31 O ATOM 1411 CB ASP A 92 -7.096 -7.872 -7.176 1.00 0.43 C ATOM 1412 CG ASP A 92 -6.974 -7.966 -8.681 1.00 0.53 C ATOM 1413 OD1 ASP A 92 -6.648 -9.059 -9.190 1.00 1.02 O ATOM 1414 OD2 ASP A 92 -7.220 -6.951 -9.362 1.00 0.99 O ATOM 0 H ASP A 92 -8.952 -8.748 -5.824 1.00 0.35 H new ATOM 0 HA ASP A 92 -6.892 -10.015 -7.258 1.00 0.37 H new ATOM 0 HB2 ASP A 92 -8.038 -7.387 -6.919 1.00 0.43 H new ATOM 0 HB3 ASP A 92 -6.296 -7.242 -6.787 1.00 0.43 H new ATOM 1419 N ILE A 93 -6.111 -9.016 -4.277 1.00 0.28 N ATOM 1420 CA ILE A 93 -5.071 -9.024 -3.249 1.00 0.25 C ATOM 1421 C ILE A 93 -4.378 -10.383 -3.192 1.00 0.24 C ATOM 1422 O ILE A 93 -3.197 -10.481 -2.859 1.00 0.25 O ATOM 1423 CB ILE A 93 -5.660 -8.677 -1.860 1.00 0.29 C ATOM 1424 CG1 ILE A 93 -6.298 -7.282 -1.878 1.00 0.32 C ATOM 1425 CG2 ILE A 93 -4.595 -8.756 -0.771 1.00 0.35 C ATOM 1426 CD1 ILE A 93 -5.346 -6.175 -2.278 1.00 0.42 C ATOM 0 H ILE A 93 -7.042 -8.791 -3.927 1.00 0.28 H new ATOM 0 HA ILE A 93 -4.337 -8.264 -3.516 1.00 0.25 H new ATOM 0 HB ILE A 93 -6.431 -9.414 -1.633 1.00 0.29 H new ATOM 0 HG12 ILE A 93 -7.142 -7.288 -2.568 1.00 0.32 H new ATOM 0 HG13 ILE A 93 -6.698 -7.064 -0.888 1.00 0.32 H new ATOM 0 HG21 ILE A 93 -5.040 -8.507 0.192 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -4.188 -9.767 -0.732 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -3.794 -8.051 -0.994 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -5.872 -5.221 -2.267 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.514 -6.139 -1.575 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -4.965 -6.367 -3.281 1.00 0.42 H new ATOM 1438 N HIS A 94 -5.113 -11.426 -3.557 1.00 0.26 N ATOM 1439 CA HIS A 94 -4.580 -12.781 -3.549 1.00 0.30 C ATOM 1440 C HIS A 94 -3.486 -12.935 -4.598 1.00 0.30 C ATOM 1441 O HIS A 94 -2.458 -13.562 -4.347 1.00 0.38 O ATOM 1442 CB HIS A 94 -5.695 -13.793 -3.811 1.00 0.35 C ATOM 1443 CG HIS A 94 -6.657 -13.937 -2.673 1.00 0.46 C ATOM 1444 ND1 HIS A 94 -6.652 -15.010 -1.811 1.00 0.73 N ATOM 1445 CD2 HIS A 94 -7.663 -13.128 -2.254 1.00 0.70 C ATOM 1446 CE1 HIS A 94 -7.608 -14.858 -0.915 1.00 0.83 C ATOM 1447 NE2 HIS A 94 -8.236 -13.727 -1.164 1.00 0.79 N ATOM 0 H HIS A 94 -6.084 -11.358 -3.863 1.00 0.26 H new ATOM 0 HA HIS A 94 -4.151 -12.971 -2.565 1.00 0.30 H new ATOM 0 HB2 HIS A 94 -6.244 -13.492 -4.703 1.00 0.35 H new ATOM 0 HB3 HIS A 94 -5.249 -14.765 -4.023 1.00 0.35 H new ATOM 0 HD2 HIS A 94 -7.957 -12.188 -2.697 1.00 0.70 H new ATOM 0 HE1 HIS A 94 -7.837 -15.544 -0.113 1.00 0.83 H new ATOM 0 HE2 HIS A 94 -9.023 -13.357 -0.631 1.00 0.79 H new ATOM 1456 N HIS A 95 -3.710 -12.350 -5.769 1.00 0.27 N ATOM 1457 CA HIS A 95 -2.741 -12.421 -6.858 1.00 0.30 C ATOM 1458 C HIS A 95 -1.589 -11.450 -6.623 1.00 0.26 C ATOM 1459 O HIS A 95 -0.453 -11.731 -6.984 1.00 0.26 O ATOM 1460 CB HIS A 95 -3.418 -12.125 -8.205 1.00 0.37 C ATOM 1461 CG HIS A 95 -2.465 -12.029 -9.363 1.00 0.50 C ATOM 1462 ND1 HIS A 95 -1.541 -13.007 -9.670 1.00 0.72 N ATOM 1463 CD2 HIS A 95 -2.297 -11.056 -10.290 1.00 0.65 C ATOM 1464 CE1 HIS A 95 -0.855 -12.642 -10.738 1.00 0.79 C ATOM 1465 NE2 HIS A 95 -1.291 -11.464 -11.127 1.00 0.72 N ATOM 0 H HIS A 95 -4.554 -11.821 -5.989 1.00 0.27 H new ATOM 0 HA HIS A 95 -2.338 -13.434 -6.885 1.00 0.30 H new ATOM 0 HB2 HIS A 95 -4.147 -12.908 -8.413 1.00 0.37 H new ATOM 0 HB3 HIS A 95 -3.970 -11.189 -8.124 1.00 0.37 H new ATOM 0 HD1 HIS A 95 -1.409 -13.876 -9.153 1.00 0.72 H new ATOM 0 HD2 HIS A 95 -2.852 -10.132 -10.357 1.00 0.65 H new ATOM 0 HE1 HIS A 95 -0.070 -13.213 -11.211 1.00 0.79 H new ATOM 1474 N TYR A 96 -1.891 -10.308 -6.026 1.00 0.29 N ATOM 1475 CA TYR A 96 -0.874 -9.295 -5.748 1.00 0.29 C ATOM 1476 C TYR A 96 0.226 -9.864 -4.856 1.00 0.24 C ATOM 1477 O TYR A 96 1.413 -9.710 -5.147 1.00 0.24 O ATOM 1478 CB TYR A 96 -1.504 -8.061 -5.103 1.00 0.38 C ATOM 1479 CG TYR A 96 -2.128 -7.109 -6.106 1.00 0.47 C ATOM 1480 CD1 TYR A 96 -2.720 -7.583 -7.272 1.00 1.04 C ATOM 1481 CD2 TYR A 96 -2.125 -5.740 -5.887 1.00 0.76 C ATOM 1482 CE1 TYR A 96 -3.290 -6.721 -8.185 1.00 1.17 C ATOM 1483 CE2 TYR A 96 -2.695 -4.874 -6.798 1.00 0.81 C ATOM 1484 CZ TYR A 96 -3.275 -5.370 -7.943 1.00 0.75 C ATOM 1485 OH TYR A 96 -3.839 -4.507 -8.852 1.00 0.91 O ATOM 0 H TYR A 96 -2.832 -10.055 -5.723 1.00 0.29 H new ATOM 0 HA TYR A 96 -0.425 -8.995 -6.695 1.00 0.29 H new ATOM 0 HB2 TYR A 96 -2.267 -8.381 -4.393 1.00 0.38 H new ATOM 0 HB3 TYR A 96 -0.742 -7.529 -4.534 1.00 0.38 H new ATOM 0 HD1 TYR A 96 -2.733 -8.645 -7.466 1.00 1.04 H new ATOM 0 HD2 TYR A 96 -1.670 -5.345 -4.990 1.00 0.76 H new ATOM 0 HE1 TYR A 96 -3.746 -7.107 -9.085 1.00 1.17 H new ATOM 0 HE2 TYR A 96 -2.686 -3.810 -6.613 1.00 0.81 H new ATOM 0 HH TYR A 96 -4.004 -3.642 -8.423 1.00 0.91 H new ATOM 1495 N ARG A 97 -0.183 -10.530 -3.781 1.00 0.25 N ATOM 1496 CA ARG A 97 0.758 -11.147 -2.851 1.00 0.25 C ATOM 1497 C ARG A 97 1.599 -12.192 -3.576 1.00 0.22 C ATOM 1498 O ARG A 97 2.818 -12.221 -3.442 1.00 0.29 O ATOM 1499 CB ARG A 97 -0.002 -11.800 -1.685 1.00 0.32 C ATOM 1500 CG ARG A 97 0.830 -12.773 -0.853 1.00 0.36 C ATOM 1501 CD ARG A 97 1.814 -12.059 0.067 1.00 0.39 C ATOM 1502 NE ARG A 97 2.567 -13.001 0.896 1.00 0.45 N ATOM 1503 CZ ARG A 97 3.441 -12.646 1.840 1.00 0.48 C ATOM 1504 NH1 ARG A 97 3.691 -11.365 2.088 1.00 0.48 N ATOM 1505 NH2 ARG A 97 4.065 -13.583 2.539 1.00 0.60 N ATOM 0 H ARG A 97 -1.164 -10.657 -3.531 1.00 0.25 H new ATOM 0 HA ARG A 97 1.417 -10.375 -2.454 1.00 0.25 H new ATOM 0 HB2 ARG A 97 -0.382 -11.015 -1.031 1.00 0.32 H new ATOM 0 HB3 ARG A 97 -0.867 -12.330 -2.083 1.00 0.32 H new ATOM 0 HG2 ARG A 97 0.165 -13.396 -0.255 1.00 0.36 H new ATOM 0 HG3 ARG A 97 1.378 -13.439 -1.519 1.00 0.36 H new ATOM 0 HD2 ARG A 97 2.507 -11.468 -0.531 1.00 0.39 H new ATOM 0 HD3 ARG A 97 1.273 -11.363 0.708 1.00 0.39 H new ATOM 0 HE ARG A 97 2.413 -13.997 0.742 1.00 0.45 H new ATOM 0 HH11 ARG A 97 3.213 -10.639 1.554 1.00 0.48 H new ATOM 0 HH12 ARG A 97 4.361 -11.107 2.812 1.00 0.48 H new ATOM 0 HH21 ARG A 97 3.876 -14.568 2.354 1.00 0.60 H new ATOM 0 HH22 ARG A 97 4.734 -13.319 3.262 1.00 0.60 H new ATOM 1519 N GLU A 98 0.929 -13.029 -4.360 1.00 0.22 N ATOM 1520 CA GLU A 98 1.586 -14.094 -5.109 1.00 0.24 C ATOM 1521 C GLU A 98 2.562 -13.531 -6.149 1.00 0.23 C ATOM 1522 O GLU A 98 3.719 -13.955 -6.223 1.00 0.26 O ATOM 1523 CB GLU A 98 0.516 -14.974 -5.776 1.00 0.30 C ATOM 1524 CG GLU A 98 0.986 -15.728 -7.013 1.00 0.46 C ATOM 1525 CD GLU A 98 0.357 -15.198 -8.287 1.00 0.94 C ATOM 1526 OE1 GLU A 98 1.090 -14.650 -9.136 1.00 1.21 O ATOM 1527 OE2 GLU A 98 -0.879 -15.319 -8.445 1.00 1.35 O ATOM 0 H GLU A 98 -0.081 -12.989 -4.494 1.00 0.22 H new ATOM 0 HA GLU A 98 2.174 -14.699 -4.419 1.00 0.24 H new ATOM 0 HB2 GLU A 98 0.152 -15.696 -5.045 1.00 0.30 H new ATOM 0 HB3 GLU A 98 -0.331 -14.345 -6.051 1.00 0.30 H new ATOM 0 HG2 GLU A 98 2.071 -15.655 -7.089 1.00 0.46 H new ATOM 0 HG3 GLU A 98 0.744 -16.785 -6.904 1.00 0.46 H new ATOM 1534 N GLN A 99 2.098 -12.551 -6.920 1.00 0.23 N ATOM 1535 CA GLN A 99 2.905 -11.941 -7.976 1.00 0.25 C ATOM 1536 C GLN A 99 4.187 -11.319 -7.432 1.00 0.24 C ATOM 1537 O GLN A 99 5.285 -11.699 -7.843 1.00 0.26 O ATOM 1538 CB GLN A 99 2.094 -10.884 -8.730 1.00 0.30 C ATOM 1539 CG GLN A 99 2.890 -10.144 -9.798 1.00 0.33 C ATOM 1540 CD GLN A 99 2.001 -9.477 -10.826 1.00 0.63 C ATOM 1541 OE1 GLN A 99 1.553 -8.344 -10.641 1.00 1.15 O ATOM 1542 NE2 GLN A 99 1.745 -10.173 -11.923 1.00 1.08 N ATOM 0 H GLN A 99 1.160 -12.159 -6.833 1.00 0.23 H new ATOM 0 HA GLN A 99 3.187 -12.739 -8.663 1.00 0.25 H new ATOM 0 HB2 GLN A 99 1.235 -11.364 -9.198 1.00 0.30 H new ATOM 0 HB3 GLN A 99 1.704 -10.160 -8.014 1.00 0.30 H new ATOM 0 HG2 GLN A 99 3.518 -9.391 -9.322 1.00 0.33 H new ATOM 0 HG3 GLN A 99 3.558 -10.845 -10.300 1.00 0.33 H new ATOM 0 HE21 GLN A 99 2.136 -11.108 -12.036 1.00 1.08 H new ATOM 0 HE22 GLN A 99 1.157 -9.774 -12.655 1.00 1.08 H new ATOM 1551 N ILE A 100 4.054 -10.376 -6.502 1.00 0.24 N ATOM 1552 CA ILE A 100 5.220 -9.702 -5.936 1.00 0.26 C ATOM 1553 C ILE A 100 6.150 -10.700 -5.249 1.00 0.24 C ATOM 1554 O ILE A 100 7.374 -10.595 -5.358 1.00 0.24 O ATOM 1555 CB ILE A 100 4.821 -8.598 -4.934 1.00 0.32 C ATOM 1556 CG1 ILE A 100 3.898 -7.576 -5.608 1.00 0.39 C ATOM 1557 CG2 ILE A 100 6.060 -7.906 -4.374 1.00 0.34 C ATOM 1558 CD1 ILE A 100 3.211 -6.644 -4.633 1.00 0.51 C ATOM 0 H ILE A 100 3.159 -10.063 -6.127 1.00 0.24 H new ATOM 0 HA ILE A 100 5.744 -9.234 -6.769 1.00 0.26 H new ATOM 0 HB ILE A 100 4.284 -9.062 -4.107 1.00 0.32 H new ATOM 0 HG12 ILE A 100 4.480 -6.984 -6.315 1.00 0.39 H new ATOM 0 HG13 ILE A 100 3.141 -8.107 -6.185 1.00 0.39 H new ATOM 0 HG21 ILE A 100 5.757 -7.131 -3.670 1.00 0.34 H new ATOM 0 HG22 ILE A 100 6.685 -8.637 -3.862 1.00 0.34 H new ATOM 0 HG23 ILE A 100 6.624 -7.454 -5.190 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.575 -5.949 -5.181 1.00 0.51 H new ATOM 0 HD12 ILE A 100 2.602 -7.226 -3.941 1.00 0.51 H new ATOM 0 HD13 ILE A 100 3.961 -6.085 -4.074 1.00 0.51 H new ATOM 1570 N LYS A 101 5.565 -11.676 -4.564 1.00 0.25 N ATOM 1571 CA LYS A 101 6.342 -12.695 -3.869 1.00 0.27 C ATOM 1572 C LYS A 101 7.190 -13.486 -4.859 1.00 0.23 C ATOM 1573 O LYS A 101 8.319 -13.879 -4.555 1.00 0.27 O ATOM 1574 CB LYS A 101 5.411 -13.636 -3.110 1.00 0.34 C ATOM 1575 CG LYS A 101 6.111 -14.510 -2.088 1.00 0.78 C ATOM 1576 CD LYS A 101 5.160 -15.533 -1.501 1.00 0.76 C ATOM 1577 CE LYS A 101 5.883 -16.509 -0.588 1.00 0.97 C ATOM 1578 NZ LYS A 101 4.994 -17.609 -0.132 1.00 1.05 N ATOM 0 H LYS A 101 4.555 -11.783 -4.475 1.00 0.25 H new ATOM 0 HA LYS A 101 7.005 -12.202 -3.159 1.00 0.27 H new ATOM 0 HB2 LYS A 101 4.648 -13.044 -2.604 1.00 0.34 H new ATOM 0 HB3 LYS A 101 4.896 -14.275 -3.827 1.00 0.34 H new ATOM 0 HG2 LYS A 101 6.953 -15.019 -2.556 1.00 0.78 H new ATOM 0 HG3 LYS A 101 6.518 -13.888 -1.291 1.00 0.78 H new ATOM 0 HD2 LYS A 101 4.376 -15.023 -0.941 1.00 0.76 H new ATOM 0 HD3 LYS A 101 4.672 -16.081 -2.307 1.00 0.76 H new ATOM 0 HE2 LYS A 101 6.740 -16.930 -1.114 1.00 0.97 H new ATOM 0 HE3 LYS A 101 6.272 -15.974 0.279 1.00 0.97 H new ATOM 0 HZ1 LYS A 101 5.356 -18.001 0.761 1.00 1.05 H new ATOM 0 HZ2 LYS A 101 4.033 -17.240 0.017 1.00 1.05 H new ATOM 0 HZ3 LYS A 101 4.970 -18.357 -0.854 1.00 1.05 H new ATOM 1592 N ARG A 102 6.642 -13.710 -6.047 1.00 0.22 N ATOM 1593 CA ARG A 102 7.347 -14.441 -7.090 1.00 0.23 C ATOM 1594 C ARG A 102 8.452 -13.590 -7.700 1.00 0.21 C ATOM 1595 O ARG A 102 9.528 -14.095 -8.019 1.00 0.26 O ATOM 1596 CB ARG A 102 6.382 -14.888 -8.187 1.00 0.29 C ATOM 1597 CG ARG A 102 5.518 -16.073 -7.789 1.00 0.35 C ATOM 1598 CD ARG A 102 4.531 -16.438 -8.887 1.00 0.44 C ATOM 1599 NE ARG A 102 3.770 -17.639 -8.559 1.00 0.58 N ATOM 1600 CZ ARG A 102 2.685 -18.036 -9.219 1.00 0.75 C ATOM 1601 NH1 ARG A 102 2.225 -17.333 -10.247 1.00 0.89 N ATOM 1602 NH2 ARG A 102 2.050 -19.139 -8.850 1.00 0.91 N ATOM 0 H ARG A 102 5.709 -13.394 -6.312 1.00 0.22 H new ATOM 0 HA ARG A 102 7.794 -15.322 -6.629 1.00 0.23 H new ATOM 0 HB2 ARG A 102 5.736 -14.052 -8.455 1.00 0.29 H new ATOM 0 HB3 ARG A 102 6.953 -15.148 -9.078 1.00 0.29 H new ATOM 0 HG2 ARG A 102 6.154 -16.931 -7.570 1.00 0.35 H new ATOM 0 HG3 ARG A 102 4.975 -15.837 -6.874 1.00 0.35 H new ATOM 0 HD2 ARG A 102 3.845 -15.607 -9.049 1.00 0.44 H new ATOM 0 HD3 ARG A 102 5.069 -16.594 -9.822 1.00 0.44 H new ATOM 0 HE ARG A 102 4.089 -18.209 -7.776 1.00 0.58 H new ATOM 0 HH11 ARG A 102 2.704 -16.481 -10.537 1.00 0.89 H new ATOM 0 HH12 ARG A 102 1.393 -17.645 -10.747 1.00 0.89 H new ATOM 0 HH21 ARG A 102 2.393 -19.685 -8.059 1.00 0.91 H new ATOM 0 HH22 ARG A 102 1.218 -19.442 -9.357 1.00 0.91 H new ATOM 1616 N VAL A 103 8.181 -12.298 -7.856 1.00 0.21 N ATOM 1617 CA VAL A 103 9.154 -11.373 -8.437 1.00 0.23 C ATOM 1618 C VAL A 103 10.340 -11.163 -7.495 1.00 0.19 C ATOM 1619 O VAL A 103 11.492 -11.113 -7.932 1.00 0.21 O ATOM 1620 CB VAL A 103 8.514 -10.003 -8.767 1.00 0.27 C ATOM 1621 CG1 VAL A 103 9.522 -9.078 -9.437 1.00 0.35 C ATOM 1622 CG2 VAL A 103 7.289 -10.181 -9.652 1.00 0.35 C ATOM 0 H VAL A 103 7.297 -11.866 -7.589 1.00 0.21 H new ATOM 0 HA VAL A 103 9.505 -11.825 -9.364 1.00 0.23 H new ATOM 0 HB VAL A 103 8.200 -9.545 -7.829 1.00 0.27 H new ATOM 0 HG11 VAL A 103 9.047 -8.122 -9.659 1.00 0.35 H new ATOM 0 HG12 VAL A 103 10.368 -8.917 -8.769 1.00 0.35 H new ATOM 0 HG13 VAL A 103 9.873 -9.532 -10.364 1.00 0.35 H new ATOM 0 HG21 VAL A 103 6.854 -9.206 -9.872 1.00 0.35 H new ATOM 0 HG22 VAL A 103 7.580 -10.667 -10.583 1.00 0.35 H new ATOM 0 HG23 VAL A 103 6.554 -10.798 -9.136 1.00 0.35 H new ATOM 1632 N LYS A 104 10.057 -11.046 -6.205 1.00 0.17 N ATOM 1633 CA LYS A 104 11.105 -10.838 -5.216 1.00 0.16 C ATOM 1634 C LYS A 104 11.758 -12.161 -4.815 1.00 0.18 C ATOM 1635 O LYS A 104 12.871 -12.170 -4.290 1.00 0.28 O ATOM 1636 CB LYS A 104 10.549 -10.141 -3.973 1.00 0.18 C ATOM 1637 CG LYS A 104 10.141 -8.698 -4.212 1.00 0.26 C ATOM 1638 CD LYS A 104 10.397 -7.830 -2.990 1.00 0.32 C ATOM 1639 CE LYS A 104 11.871 -7.474 -2.856 1.00 0.51 C ATOM 1640 NZ LYS A 104 12.133 -6.641 -1.653 1.00 0.63 N ATOM 0 H LYS A 104 9.114 -11.091 -5.820 1.00 0.17 H new ATOM 0 HA LYS A 104 11.862 -10.200 -5.672 1.00 0.16 H new ATOM 0 HB2 LYS A 104 9.685 -10.698 -3.611 1.00 0.18 H new ATOM 0 HB3 LYS A 104 11.301 -10.171 -3.184 1.00 0.18 H new ATOM 0 HG2 LYS A 104 10.694 -8.300 -5.063 1.00 0.26 H new ATOM 0 HG3 LYS A 104 9.083 -8.657 -4.472 1.00 0.26 H new ATOM 0 HD2 LYS A 104 9.806 -6.917 -3.061 1.00 0.32 H new ATOM 0 HD3 LYS A 104 10.066 -8.355 -2.094 1.00 0.32 H new ATOM 0 HE2 LYS A 104 12.462 -8.388 -2.800 1.00 0.51 H new ATOM 0 HE3 LYS A 104 12.197 -6.938 -3.747 1.00 0.51 H new ATOM 0 HZ1 LYS A 104 13.159 -6.562 -1.503 1.00 0.63 H new ATOM 0 HZ2 LYS A 104 11.729 -5.693 -1.793 1.00 0.63 H new ATOM 0 HZ3 LYS A 104 11.695 -7.085 -0.821 1.00 0.63 H new ATOM 1654 N ASP A 105 11.053 -13.264 -5.062 1.00 0.17 N ATOM 1655 CA ASP A 105 11.543 -14.604 -4.722 1.00 0.21 C ATOM 1656 C ASP A 105 11.909 -14.675 -3.243 1.00 0.23 C ATOM 1657 O ASP A 105 13.052 -14.952 -2.875 1.00 0.28 O ATOM 1658 CB ASP A 105 12.748 -14.987 -5.592 1.00 0.24 C ATOM 1659 CG ASP A 105 12.967 -16.485 -5.641 1.00 0.34 C ATOM 1660 OD1 ASP A 105 12.135 -17.186 -6.257 1.00 0.43 O ATOM 1661 OD2 ASP A 105 13.966 -16.971 -5.067 1.00 0.47 O ATOM 0 H ASP A 105 10.132 -13.258 -5.500 1.00 0.17 H new ATOM 0 HA ASP A 105 10.744 -15.318 -4.920 1.00 0.21 H new ATOM 0 HB2 ASP A 105 12.597 -14.611 -6.604 1.00 0.24 H new ATOM 0 HB3 ASP A 105 13.644 -14.503 -5.202 1.00 0.24 H new ATOM 1666 N SER A 106 10.936 -14.372 -2.396 1.00 0.28 N ATOM 1667 CA SER A 106 11.135 -14.394 -0.953 1.00 0.33 C ATOM 1668 C SER A 106 9.890 -14.943 -0.270 1.00 0.36 C ATOM 1669 O SER A 106 8.774 -14.666 -0.698 1.00 0.56 O ATOM 1670 CB SER A 106 11.434 -12.985 -0.428 1.00 0.36 C ATOM 1671 OG SER A 106 12.196 -12.233 -1.364 1.00 1.14 O ATOM 0 H SER A 106 9.995 -14.106 -2.685 1.00 0.28 H new ATOM 0 HA SER A 106 11.986 -15.037 -0.729 1.00 0.33 H new ATOM 0 HB2 SER A 106 10.498 -12.467 -0.219 1.00 0.36 H new ATOM 0 HB3 SER A 106 11.978 -13.054 0.514 1.00 0.36 H new ATOM 0 HG SER A 106 12.369 -11.339 -1.002 1.00 1.14 H new ATOM 1677 N GLU A 107 10.084 -15.728 0.783 1.00 0.42 N ATOM 1678 CA GLU A 107 8.965 -16.305 1.515 1.00 0.54 C ATOM 1679 C GLU A 107 8.306 -15.238 2.389 1.00 0.42 C ATOM 1680 O GLU A 107 7.098 -15.264 2.614 1.00 0.54 O ATOM 1681 CB GLU A 107 9.447 -17.480 2.374 1.00 0.74 C ATOM 1682 CG GLU A 107 8.325 -18.323 2.966 1.00 1.11 C ATOM 1683 CD GLU A 107 7.644 -19.205 1.938 1.00 1.17 C ATOM 1684 OE1 GLU A 107 6.478 -18.933 1.596 1.00 1.74 O ATOM 1685 OE2 GLU A 107 8.270 -20.180 1.468 1.00 1.46 O ATOM 0 H GLU A 107 11.003 -15.979 1.148 1.00 0.42 H new ATOM 0 HA GLU A 107 8.228 -16.676 0.803 1.00 0.54 H new ATOM 0 HB2 GLU A 107 10.086 -18.121 1.767 1.00 0.74 H new ATOM 0 HB3 GLU A 107 10.063 -17.093 3.186 1.00 0.74 H new ATOM 0 HG2 GLU A 107 8.728 -18.948 3.763 1.00 1.11 H new ATOM 0 HG3 GLU A 107 7.584 -17.665 3.421 1.00 1.11 H new ATOM 1692 N ASP A 108 9.113 -14.295 2.864 1.00 0.35 N ATOM 1693 CA ASP A 108 8.620 -13.215 3.707 1.00 0.37 C ATOM 1694 C ASP A 108 8.781 -11.871 3.013 1.00 0.29 C ATOM 1695 O ASP A 108 9.880 -11.507 2.590 1.00 0.39 O ATOM 1696 CB ASP A 108 9.362 -13.192 5.046 1.00 0.54 C ATOM 1697 CG ASP A 108 9.052 -11.952 5.864 1.00 0.65 C ATOM 1698 OD1 ASP A 108 7.877 -11.772 6.263 1.00 0.77 O ATOM 1699 OD2 ASP A 108 9.981 -11.153 6.116 1.00 0.78 O ATOM 0 H ASP A 108 10.115 -14.258 2.678 1.00 0.35 H new ATOM 0 HA ASP A 108 7.560 -13.394 3.890 1.00 0.37 H new ATOM 0 HB2 ASP A 108 9.094 -14.078 5.621 1.00 0.54 H new ATOM 0 HB3 ASP A 108 10.435 -13.243 4.863 1.00 0.54 H new ATOM 1704 N VAL A 109 7.673 -11.156 2.879 1.00 0.25 N ATOM 1705 CA VAL A 109 7.662 -9.838 2.261 1.00 0.21 C ATOM 1706 C VAL A 109 6.814 -8.895 3.107 1.00 0.18 C ATOM 1707 O VAL A 109 5.602 -9.092 3.223 1.00 0.25 O ATOM 1708 CB VAL A 109 7.087 -9.865 0.819 1.00 0.27 C ATOM 1709 CG1 VAL A 109 7.241 -8.505 0.153 1.00 0.31 C ATOM 1710 CG2 VAL A 109 7.743 -10.950 -0.030 1.00 0.47 C ATOM 0 H VAL A 109 6.757 -11.473 3.196 1.00 0.25 H new ATOM 0 HA VAL A 109 8.695 -9.496 2.204 1.00 0.21 H new ATOM 0 HB VAL A 109 6.025 -10.100 0.896 1.00 0.27 H new ATOM 0 HG11 VAL A 109 6.832 -8.546 -0.856 1.00 0.31 H new ATOM 0 HG12 VAL A 109 6.704 -7.753 0.732 1.00 0.31 H new ATOM 0 HG13 VAL A 109 8.297 -8.240 0.106 1.00 0.31 H new ATOM 0 HG21 VAL A 109 7.314 -10.937 -1.032 1.00 0.47 H new ATOM 0 HG22 VAL A 109 8.815 -10.765 -0.092 1.00 0.47 H new ATOM 0 HG23 VAL A 109 7.569 -11.924 0.427 1.00 0.47 H new ATOM 1720 N PRO A 110 7.440 -7.877 3.729 1.00 0.15 N ATOM 1721 CA PRO A 110 6.733 -6.901 4.570 1.00 0.15 C ATOM 1722 C PRO A 110 5.564 -6.237 3.849 1.00 0.14 C ATOM 1723 O PRO A 110 5.754 -5.426 2.937 1.00 0.17 O ATOM 1724 CB PRO A 110 7.808 -5.866 4.895 1.00 0.18 C ATOM 1725 CG PRO A 110 9.094 -6.593 4.759 1.00 0.25 C ATOM 1726 CD PRO A 110 8.886 -7.600 3.665 1.00 0.23 C ATOM 0 HA PRO A 110 6.292 -7.374 5.447 1.00 0.15 H new ATOM 0 HB2 PRO A 110 7.759 -5.018 4.211 1.00 0.18 H new ATOM 0 HB3 PRO A 110 7.683 -5.470 5.903 1.00 0.18 H new ATOM 0 HG2 PRO A 110 9.905 -5.908 4.510 1.00 0.25 H new ATOM 0 HG3 PRO A 110 9.366 -7.083 5.694 1.00 0.25 H new ATOM 0 HD2 PRO A 110 9.177 -7.203 2.692 1.00 0.23 H new ATOM 0 HD3 PRO A 110 9.476 -8.501 3.831 1.00 0.23 H new ATOM 1734 N MET A 111 4.357 -6.586 4.260 1.00 0.13 N ATOM 1735 CA MET A 111 3.155 -6.040 3.659 1.00 0.14 C ATOM 1736 C MET A 111 2.116 -5.732 4.721 1.00 0.15 C ATOM 1737 O MET A 111 2.108 -6.338 5.788 1.00 0.17 O ATOM 1738 CB MET A 111 2.575 -7.025 2.642 1.00 0.17 C ATOM 1739 CG MET A 111 3.398 -7.141 1.372 1.00 0.24 C ATOM 1740 SD MET A 111 3.050 -8.656 0.458 1.00 0.34 S ATOM 1741 CE MET A 111 3.825 -8.284 -1.114 1.00 0.79 C ATOM 0 H MET A 111 4.184 -7.251 5.014 1.00 0.13 H new ATOM 0 HA MET A 111 3.422 -5.114 3.150 1.00 0.14 H new ATOM 0 HB2 MET A 111 2.496 -8.009 3.105 1.00 0.17 H new ATOM 0 HB3 MET A 111 1.563 -6.713 2.382 1.00 0.17 H new ATOM 0 HG2 MET A 111 3.197 -6.281 0.733 1.00 0.24 H new ATOM 0 HG3 MET A 111 4.458 -7.109 1.626 1.00 0.24 H new ATOM 0 HE1 MET A 111 4.553 -9.059 -1.353 1.00 0.79 H new ATOM 0 HE2 MET A 111 3.065 -8.246 -1.894 1.00 0.79 H new ATOM 0 HE3 MET A 111 4.330 -7.320 -1.052 1.00 0.79 H new ATOM 1751 N VAL A 112 1.257 -4.772 4.429 1.00 0.16 N ATOM 1752 CA VAL A 112 0.190 -4.391 5.341 1.00 0.16 C ATOM 1753 C VAL A 112 -1.123 -4.324 4.574 1.00 0.17 C ATOM 1754 O VAL A 112 -1.202 -3.667 3.534 1.00 0.17 O ATOM 1755 CB VAL A 112 0.464 -3.026 6.019 1.00 0.17 C ATOM 1756 CG1 VAL A 112 -0.731 -2.576 6.853 1.00 0.22 C ATOM 1757 CG2 VAL A 112 1.710 -3.095 6.887 1.00 0.21 C ATOM 0 H VAL A 112 1.277 -4.237 3.561 1.00 0.16 H new ATOM 0 HA VAL A 112 0.136 -5.144 6.127 1.00 0.16 H new ATOM 0 HB VAL A 112 0.627 -2.292 5.230 1.00 0.17 H new ATOM 0 HG11 VAL A 112 -0.510 -1.615 7.317 1.00 0.22 H new ATOM 0 HG12 VAL A 112 -1.606 -2.476 6.211 1.00 0.22 H new ATOM 0 HG13 VAL A 112 -0.933 -3.315 7.628 1.00 0.22 H new ATOM 0 HG21 VAL A 112 1.883 -2.125 7.353 1.00 0.21 H new ATOM 0 HG22 VAL A 112 1.573 -3.850 7.661 1.00 0.21 H new ATOM 0 HG23 VAL A 112 2.569 -3.359 6.270 1.00 0.21 H new ATOM 1767 N LEU A 113 -2.139 -5.018 5.067 1.00 0.18 N ATOM 1768 CA LEU A 113 -3.435 -5.024 4.417 1.00 0.19 C ATOM 1769 C LEU A 113 -4.241 -3.817 4.874 1.00 0.20 C ATOM 1770 O LEU A 113 -4.523 -3.661 6.064 1.00 0.23 O ATOM 1771 CB LEU A 113 -4.182 -6.316 4.739 1.00 0.23 C ATOM 1772 CG LEU A 113 -5.467 -6.549 3.941 1.00 0.23 C ATOM 1773 CD1 LEU A 113 -5.161 -6.697 2.459 1.00 0.26 C ATOM 1774 CD2 LEU A 113 -6.197 -7.779 4.460 1.00 0.29 C ATOM 0 H LEU A 113 -2.088 -5.583 5.915 1.00 0.18 H new ATOM 0 HA LEU A 113 -3.294 -4.969 3.338 1.00 0.19 H new ATOM 0 HB2 LEU A 113 -3.510 -7.157 4.566 1.00 0.23 H new ATOM 0 HB3 LEU A 113 -4.429 -6.318 5.801 1.00 0.23 H new ATOM 0 HG LEU A 113 -6.113 -5.681 4.070 1.00 0.23 H new ATOM 0 HD11 LEU A 113 -6.088 -6.862 1.911 1.00 0.26 H new ATOM 0 HD12 LEU A 113 -4.680 -5.789 2.094 1.00 0.26 H new ATOM 0 HD13 LEU A 113 -4.495 -7.546 2.308 1.00 0.26 H new ATOM 0 HD21 LEU A 113 -7.109 -7.932 3.883 1.00 0.29 H new ATOM 0 HD22 LEU A 113 -5.554 -8.653 4.360 1.00 0.29 H new ATOM 0 HD23 LEU A 113 -6.452 -7.635 5.510 1.00 0.29 H new ATOM 1786 N VAL A 114 -4.593 -2.963 3.929 1.00 0.23 N ATOM 1787 CA VAL A 114 -5.339 -1.758 4.232 1.00 0.28 C ATOM 1788 C VAL A 114 -6.733 -1.777 3.611 1.00 0.24 C ATOM 1789 O VAL A 114 -6.885 -1.824 2.388 1.00 0.30 O ATOM 1790 CB VAL A 114 -4.571 -0.508 3.744 1.00 0.38 C ATOM 1791 CG1 VAL A 114 -5.424 0.742 3.860 1.00 0.82 C ATOM 1792 CG2 VAL A 114 -3.278 -0.340 4.528 1.00 0.59 C ATOM 0 H VAL A 114 -4.372 -3.084 2.941 1.00 0.23 H new ATOM 0 HA VAL A 114 -5.453 -1.717 5.315 1.00 0.28 H new ATOM 0 HB VAL A 114 -4.329 -0.654 2.691 1.00 0.38 H new ATOM 0 HG11 VAL A 114 -4.856 1.604 3.509 1.00 0.82 H new ATOM 0 HG12 VAL A 114 -6.322 0.627 3.253 1.00 0.82 H new ATOM 0 HG13 VAL A 114 -5.707 0.894 4.902 1.00 0.82 H new ATOM 0 HG21 VAL A 114 -2.749 0.544 4.172 1.00 0.59 H new ATOM 0 HG22 VAL A 114 -3.507 -0.224 5.587 1.00 0.59 H new ATOM 0 HG23 VAL A 114 -2.650 -1.220 4.387 1.00 0.59 H new ATOM 1802 N GLY A 115 -7.745 -1.736 4.468 1.00 0.20 N ATOM 1803 CA GLY A 115 -9.117 -1.718 4.003 1.00 0.19 C ATOM 1804 C GLY A 115 -9.640 -0.300 3.947 1.00 0.19 C ATOM 1805 O GLY A 115 -10.132 0.222 4.944 1.00 0.27 O ATOM 0 H GLY A 115 -7.638 -1.715 5.482 1.00 0.20 H new ATOM 0 HA2 GLY A 115 -9.178 -2.173 3.015 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -9.740 -2.316 4.668 1.00 0.19 H new ATOM 1809 N ASN A 116 -9.522 0.325 2.783 1.00 0.16 N ATOM 1810 CA ASN A 116 -9.944 1.710 2.601 1.00 0.15 C ATOM 1811 C ASN A 116 -11.452 1.815 2.385 1.00 0.16 C ATOM 1812 O ASN A 116 -12.115 0.819 2.078 1.00 0.16 O ATOM 1813 CB ASN A 116 -9.188 2.327 1.418 1.00 0.16 C ATOM 1814 CG ASN A 116 -9.334 3.836 1.345 1.00 0.17 C ATOM 1815 OD1 ASN A 116 -9.535 4.502 2.358 1.00 0.19 O ATOM 1816 ND2 ASN A 116 -9.226 4.388 0.149 1.00 0.21 N ATOM 0 H ASN A 116 -9.135 -0.108 1.944 1.00 0.16 H new ATOM 0 HA ASN A 116 -9.707 2.262 3.511 1.00 0.15 H new ATOM 0 HB2 ASN A 116 -8.131 2.073 1.497 1.00 0.16 H new ATOM 0 HB3 ASN A 116 -9.554 1.887 0.490 1.00 0.16 H new ATOM 0 HD21 ASN A 116 -9.310 5.399 0.045 1.00 0.21 H new ATOM 0 HD22 ASN A 116 -9.059 3.803 -0.670 1.00 0.21 H new ATOM 1823 N LYS A 117 -11.973 3.034 2.558 1.00 0.18 N ATOM 1824 CA LYS A 117 -13.396 3.334 2.389 1.00 0.21 C ATOM 1825 C LYS A 117 -14.235 2.674 3.484 1.00 0.23 C ATOM 1826 O LYS A 117 -15.383 2.300 3.255 1.00 0.26 O ATOM 1827 CB LYS A 117 -13.888 2.896 1.000 1.00 0.21 C ATOM 1828 CG LYS A 117 -13.132 3.539 -0.161 1.00 0.25 C ATOM 1829 CD LYS A 117 -13.798 3.240 -1.498 1.00 0.31 C ATOM 1830 CE LYS A 117 -12.923 3.649 -2.672 1.00 0.42 C ATOM 1831 NZ LYS A 117 -13.589 3.389 -3.977 1.00 0.54 N ATOM 0 H LYS A 117 -11.414 3.845 2.821 1.00 0.18 H new ATOM 0 HA LYS A 117 -13.517 4.414 2.473 1.00 0.21 H new ATOM 0 HB2 LYS A 117 -13.801 1.812 0.921 1.00 0.21 H new ATOM 0 HB3 LYS A 117 -14.947 3.138 0.908 1.00 0.21 H new ATOM 0 HG2 LYS A 117 -13.083 4.618 -0.011 1.00 0.25 H new ATOM 0 HG3 LYS A 117 -12.106 3.172 -0.175 1.00 0.25 H new ATOM 0 HD2 LYS A 117 -14.018 2.174 -1.563 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -14.751 3.767 -1.555 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -12.681 4.709 -2.593 1.00 0.42 H new ATOM 0 HE3 LYS A 117 -11.981 3.103 -2.630 1.00 0.42 H new ATOM 0 HZ1 LYS A 117 -12.873 3.353 -4.731 1.00 0.54 H new ATOM 0 HZ2 LYS A 117 -14.093 2.481 -3.934 1.00 0.54 H new ATOM 0 HZ3 LYS A 117 -14.266 4.152 -4.179 1.00 0.54 H new ATOM 1845 N CYS A 118 -13.670 2.575 4.686 1.00 0.27 N ATOM 1846 CA CYS A 118 -14.360 1.949 5.814 1.00 0.33 C ATOM 1847 C CYS A 118 -15.558 2.774 6.281 1.00 0.38 C ATOM 1848 O CYS A 118 -16.462 2.253 6.941 1.00 0.46 O ATOM 1849 CB CYS A 118 -13.393 1.740 6.986 1.00 0.36 C ATOM 1850 SG CYS A 118 -12.857 3.272 7.793 1.00 0.41 S ATOM 0 H CYS A 118 -12.735 2.920 4.905 1.00 0.27 H new ATOM 0 HA CYS A 118 -14.729 0.984 5.467 1.00 0.33 H new ATOM 0 HB2 CYS A 118 -13.872 1.101 7.728 1.00 0.36 H new ATOM 0 HB3 CYS A 118 -12.514 1.206 6.626 1.00 0.36 H new ATOM 0 HG CYS A 118 -13.093 3.196 9.069 1.00 0.41 H new ATOM 1856 N ASP A 119 -15.570 4.057 5.939 1.00 0.38 N ATOM 1857 CA ASP A 119 -16.654 4.946 6.345 1.00 0.45 C ATOM 1858 C ASP A 119 -17.814 4.897 5.355 1.00 0.46 C ATOM 1859 O ASP A 119 -18.906 5.391 5.639 1.00 0.54 O ATOM 1860 CB ASP A 119 -16.145 6.387 6.491 1.00 0.52 C ATOM 1861 CG ASP A 119 -15.963 7.094 5.159 1.00 0.54 C ATOM 1862 OD1 ASP A 119 -15.004 6.761 4.429 1.00 0.44 O ATOM 1863 OD2 ASP A 119 -16.769 7.996 4.845 1.00 0.70 O ATOM 0 H ASP A 119 -14.843 4.505 5.382 1.00 0.38 H new ATOM 0 HA ASP A 119 -17.019 4.600 7.312 1.00 0.45 H new ATOM 0 HB2 ASP A 119 -16.847 6.953 7.103 1.00 0.52 H new ATOM 0 HB3 ASP A 119 -15.194 6.378 7.023 1.00 0.52 H new ATOM 1868 N LEU A 120 -17.578 4.287 4.201 1.00 0.42 N ATOM 1869 CA LEU A 120 -18.603 4.181 3.172 1.00 0.45 C ATOM 1870 C LEU A 120 -19.567 3.048 3.487 1.00 0.42 C ATOM 1871 O LEU A 120 -19.161 2.002 3.994 1.00 0.44 O ATOM 1872 CB LEU A 120 -17.971 3.936 1.801 1.00 0.53 C ATOM 1873 CG LEU A 120 -17.311 5.153 1.151 1.00 0.59 C ATOM 1874 CD1 LEU A 120 -16.941 4.844 -0.290 1.00 0.67 C ATOM 1875 CD2 LEU A 120 -18.225 6.369 1.212 1.00 0.62 C ATOM 0 H LEU A 120 -16.686 3.858 3.954 1.00 0.42 H new ATOM 0 HA LEU A 120 -19.150 5.124 3.152 1.00 0.45 H new ATOM 0 HB2 LEU A 120 -17.223 3.149 1.901 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -18.741 3.560 1.128 1.00 0.53 H new ATOM 0 HG LEU A 120 -16.403 5.384 1.708 1.00 0.59 H new ATOM 0 HD11 LEU A 120 -16.472 5.719 -0.741 1.00 0.67 H new ATOM 0 HD12 LEU A 120 -16.245 4.006 -0.315 1.00 0.67 H new ATOM 0 HD13 LEU A 120 -17.840 4.586 -0.849 1.00 0.67 H new ATOM 0 HD21 LEU A 120 -17.731 7.220 0.743 1.00 0.62 H new ATOM 0 HD22 LEU A 120 -19.154 6.153 0.684 1.00 0.62 H new ATOM 0 HD23 LEU A 120 -18.446 6.606 2.253 1.00 0.62 H new ATOM 1887 N PRO A 121 -20.864 3.246 3.203 1.00 0.42 N ATOM 1888 CA PRO A 121 -21.883 2.225 3.443 1.00 0.43 C ATOM 1889 C PRO A 121 -21.782 1.088 2.431 1.00 0.48 C ATOM 1890 O PRO A 121 -20.998 1.168 1.481 1.00 0.53 O ATOM 1891 CB PRO A 121 -23.198 2.991 3.271 1.00 0.44 C ATOM 1892 CG PRO A 121 -22.871 4.122 2.363 1.00 0.54 C ATOM 1893 CD PRO A 121 -21.435 4.482 2.633 1.00 0.44 C ATOM 0 HA PRO A 121 -21.784 1.754 4.421 1.00 0.43 H new ATOM 0 HB2 PRO A 121 -23.973 2.354 2.844 1.00 0.44 H new ATOM 0 HB3 PRO A 121 -23.573 3.350 4.229 1.00 0.44 H new ATOM 0 HG2 PRO A 121 -23.010 3.836 1.320 1.00 0.54 H new ATOM 0 HG3 PRO A 121 -23.526 4.973 2.550 1.00 0.54 H new ATOM 0 HD2 PRO A 121 -20.918 4.778 1.720 1.00 0.44 H new ATOM 0 HD3 PRO A 121 -21.356 5.317 3.329 1.00 0.44 H new ATOM 1901 N SER A 122 -22.589 0.046 2.636 1.00 0.52 N ATOM 1902 CA SER A 122 -22.607 -1.124 1.756 1.00 0.59 C ATOM 1903 C SER A 122 -21.285 -1.890 1.833 1.00 0.53 C ATOM 1904 O SER A 122 -20.581 -2.055 0.836 1.00 0.55 O ATOM 1905 CB SER A 122 -22.912 -0.704 0.311 1.00 0.68 C ATOM 1906 OG SER A 122 -23.983 0.226 0.273 1.00 0.84 O ATOM 0 H SER A 122 -23.246 -0.011 3.414 1.00 0.52 H new ATOM 0 HA SER A 122 -23.399 -1.792 2.094 1.00 0.59 H new ATOM 0 HB2 SER A 122 -22.024 -0.261 -0.139 1.00 0.68 H new ATOM 0 HB3 SER A 122 -23.166 -1.583 -0.282 1.00 0.68 H new ATOM 0 HG SER A 122 -24.161 0.482 -0.656 1.00 0.84 H new ATOM 1912 N ARG A 123 -20.962 -2.362 3.029 1.00 0.47 N ATOM 1913 CA ARG A 123 -19.734 -3.107 3.243 1.00 0.41 C ATOM 1914 C ARG A 123 -19.868 -4.523 2.690 1.00 0.36 C ATOM 1915 O ARG A 123 -20.535 -5.373 3.281 1.00 0.41 O ATOM 1916 CB ARG A 123 -19.390 -3.157 4.733 1.00 0.45 C ATOM 1917 CG ARG A 123 -18.190 -4.036 5.046 1.00 0.42 C ATOM 1918 CD ARG A 123 -18.153 -4.434 6.513 1.00 0.43 C ATOM 1919 NE ARG A 123 -17.608 -3.376 7.364 1.00 0.40 N ATOM 1920 CZ ARG A 123 -16.300 -3.181 7.575 1.00 0.45 C ATOM 1921 NH1 ARG A 123 -15.401 -3.962 6.987 1.00 0.55 N ATOM 1922 NH2 ARG A 123 -15.893 -2.206 8.379 1.00 0.58 N ATOM 0 H ARG A 123 -21.535 -2.241 3.864 1.00 0.47 H new ATOM 0 HA ARG A 123 -18.928 -2.598 2.715 1.00 0.41 H new ATOM 0 HB2 ARG A 123 -19.192 -2.145 5.087 1.00 0.45 H new ATOM 0 HB3 ARG A 123 -20.254 -3.525 5.286 1.00 0.45 H new ATOM 0 HG2 ARG A 123 -18.224 -4.932 4.426 1.00 0.42 H new ATOM 0 HG3 ARG A 123 -17.273 -3.505 4.789 1.00 0.42 H new ATOM 0 HD2 ARG A 123 -19.161 -4.681 6.845 1.00 0.43 H new ATOM 0 HD3 ARG A 123 -17.550 -5.335 6.627 1.00 0.43 H new ATOM 0 HE ARG A 123 -18.266 -2.747 7.826 1.00 0.40 H new ATOM 0 HH11 ARG A 123 -15.705 -4.716 6.371 1.00 0.55 H new ATOM 0 HH12 ARG A 123 -14.406 -3.808 7.152 1.00 0.55 H new ATOM 0 HH21 ARG A 123 -16.577 -1.604 8.837 1.00 0.58 H new ATOM 0 HH22 ARG A 123 -14.896 -2.059 8.538 1.00 0.58 H new ATOM 1936 N THR A 124 -19.239 -4.765 1.553 1.00 0.33 N ATOM 1937 CA THR A 124 -19.281 -6.071 0.916 1.00 0.32 C ATOM 1938 C THR A 124 -18.250 -7.017 1.534 1.00 0.30 C ATOM 1939 O THR A 124 -18.498 -8.214 1.693 1.00 0.33 O ATOM 1940 CB THR A 124 -19.024 -5.942 -0.596 1.00 0.38 C ATOM 1941 OG1 THR A 124 -19.610 -4.725 -1.081 1.00 0.65 O ATOM 1942 CG2 THR A 124 -19.609 -7.127 -1.347 1.00 0.81 C ATOM 0 H THR A 124 -18.689 -4.069 1.049 1.00 0.33 H new ATOM 0 HA THR A 124 -20.276 -6.487 1.076 1.00 0.32 H new ATOM 0 HB THR A 124 -17.947 -5.925 -0.765 1.00 0.38 H new ATOM 0 HG1 THR A 124 -19.444 -4.643 -2.043 1.00 0.65 H new ATOM 0 HG21 THR A 124 -19.415 -7.014 -2.414 1.00 0.81 H new ATOM 0 HG22 THR A 124 -19.147 -8.048 -0.990 1.00 0.81 H new ATOM 0 HG23 THR A 124 -20.685 -7.171 -1.177 1.00 0.81 H new ATOM 1950 N VAL A 125 -17.095 -6.473 1.889 1.00 0.33 N ATOM 1951 CA VAL A 125 -16.036 -7.267 2.492 1.00 0.32 C ATOM 1952 C VAL A 125 -16.064 -7.135 4.010 1.00 0.35 C ATOM 1953 O VAL A 125 -15.776 -6.069 4.560 1.00 0.37 O ATOM 1954 CB VAL A 125 -14.637 -6.862 1.979 1.00 0.31 C ATOM 1955 CG1 VAL A 125 -13.599 -7.885 2.415 1.00 0.34 C ATOM 1956 CG2 VAL A 125 -14.637 -6.711 0.461 1.00 0.28 C ATOM 0 H VAL A 125 -16.868 -5.486 1.770 1.00 0.33 H new ATOM 0 HA VAL A 125 -16.221 -8.302 2.204 1.00 0.32 H new ATOM 0 HB VAL A 125 -14.379 -5.896 2.414 1.00 0.31 H new ATOM 0 HG11 VAL A 125 -12.617 -7.587 2.047 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -13.577 -7.940 3.503 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -13.858 -8.862 2.008 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -13.641 -6.425 0.124 1.00 0.28 H new ATOM 0 HG22 VAL A 125 -14.918 -7.658 0.001 1.00 0.28 H new ATOM 0 HG23 VAL A 125 -15.352 -5.941 0.172 1.00 0.28 H new ATOM 1966 N ASP A 126 -16.429 -8.221 4.677 1.00 0.37 N ATOM 1967 CA ASP A 126 -16.488 -8.242 6.134 1.00 0.41 C ATOM 1968 C ASP A 126 -15.079 -8.150 6.719 1.00 0.36 C ATOM 1969 O ASP A 126 -14.119 -8.639 6.118 1.00 0.34 O ATOM 1970 CB ASP A 126 -17.194 -9.515 6.617 1.00 0.47 C ATOM 1971 CG ASP A 126 -17.379 -9.539 8.118 1.00 0.89 C ATOM 1972 OD1 ASP A 126 -18.435 -9.086 8.601 1.00 1.36 O ATOM 1973 OD2 ASP A 126 -16.468 -10.015 8.823 1.00 1.69 O ATOM 0 H ASP A 126 -16.689 -9.101 4.232 1.00 0.37 H new ATOM 0 HA ASP A 126 -17.061 -7.380 6.478 1.00 0.41 H new ATOM 0 HB2 ASP A 126 -18.167 -9.593 6.133 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -16.615 -10.386 6.311 1.00 0.47 H new ATOM 1978 N THR A 127 -14.965 -7.526 7.888 1.00 0.36 N ATOM 1979 CA THR A 127 -13.681 -7.352 8.559 1.00 0.33 C ATOM 1980 C THR A 127 -12.993 -8.699 8.821 1.00 0.27 C ATOM 1981 O THR A 127 -11.773 -8.818 8.689 1.00 0.26 O ATOM 1982 CB THR A 127 -13.871 -6.596 9.890 1.00 0.39 C ATOM 1983 OG1 THR A 127 -14.658 -5.415 9.665 1.00 0.82 O ATOM 1984 CG2 THR A 127 -12.536 -6.207 10.505 1.00 0.56 C ATOM 0 H THR A 127 -15.756 -7.129 8.395 1.00 0.36 H new ATOM 0 HA THR A 127 -13.041 -6.768 7.898 1.00 0.33 H new ATOM 0 HB THR A 127 -14.384 -7.260 10.585 1.00 0.39 H new ATOM 0 HG1 THR A 127 -14.140 -4.772 9.137 1.00 0.82 H new ATOM 0 HG21 THR A 127 -12.708 -5.676 11.441 1.00 0.56 H new ATOM 0 HG22 THR A 127 -11.949 -7.105 10.699 1.00 0.56 H new ATOM 0 HG23 THR A 127 -11.993 -5.561 9.816 1.00 0.56 H new ATOM 1992 N LYS A 128 -13.782 -9.718 9.157 1.00 0.28 N ATOM 1993 CA LYS A 128 -13.239 -11.044 9.438 1.00 0.27 C ATOM 1994 C LYS A 128 -12.581 -11.641 8.199 1.00 0.24 C ATOM 1995 O LYS A 128 -11.544 -12.294 8.293 1.00 0.24 O ATOM 1996 CB LYS A 128 -14.345 -11.973 9.946 1.00 0.34 C ATOM 1997 CG LYS A 128 -13.922 -13.426 10.104 1.00 0.39 C ATOM 1998 CD LYS A 128 -15.123 -14.317 10.374 1.00 0.46 C ATOM 1999 CE LYS A 128 -14.731 -15.783 10.426 1.00 0.54 C ATOM 2000 NZ LYS A 128 -14.180 -16.259 9.127 1.00 0.62 N ATOM 0 H LYS A 128 -14.796 -9.651 9.241 1.00 0.28 H new ATOM 0 HA LYS A 128 -12.478 -10.940 10.211 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -14.699 -11.604 10.908 1.00 0.34 H new ATOM 0 HB3 LYS A 128 -15.188 -11.926 9.256 1.00 0.34 H new ATOM 0 HG2 LYS A 128 -13.413 -13.760 9.200 1.00 0.39 H new ATOM 0 HG3 LYS A 128 -13.208 -13.514 10.923 1.00 0.39 H new ATOM 0 HD2 LYS A 128 -15.585 -14.030 11.319 1.00 0.46 H new ATOM 0 HD3 LYS A 128 -15.870 -14.167 9.595 1.00 0.46 H new ATOM 0 HE2 LYS A 128 -13.990 -15.933 11.211 1.00 0.54 H new ATOM 0 HE3 LYS A 128 -15.602 -16.382 10.692 1.00 0.54 H new ATOM 0 HZ1 LYS A 128 -14.574 -17.195 8.905 1.00 0.62 H new ATOM 0 HZ2 LYS A 128 -14.436 -15.588 8.375 1.00 0.62 H new ATOM 0 HZ3 LYS A 128 -13.144 -16.326 9.193 1.00 0.62 H new ATOM 2014 N GLN A 129 -13.179 -11.395 7.039 1.00 0.25 N ATOM 2015 CA GLN A 129 -12.657 -11.910 5.775 1.00 0.26 C ATOM 2016 C GLN A 129 -11.235 -11.425 5.527 1.00 0.25 C ATOM 2017 O GLN A 129 -10.356 -12.208 5.165 1.00 0.31 O ATOM 2018 CB GLN A 129 -13.554 -11.476 4.617 1.00 0.30 C ATOM 2019 CG GLN A 129 -14.902 -12.173 4.596 1.00 0.54 C ATOM 2020 CD GLN A 129 -15.844 -11.598 3.551 1.00 0.68 C ATOM 2021 OE1 GLN A 129 -17.057 -11.590 3.738 1.00 0.89 O ATOM 2022 NE2 GLN A 129 -15.295 -11.116 2.446 1.00 0.93 N ATOM 0 H GLN A 129 -14.030 -10.840 6.946 1.00 0.25 H new ATOM 0 HA GLN A 129 -12.645 -12.998 5.839 1.00 0.26 H new ATOM 0 HB2 GLN A 129 -13.712 -10.399 4.675 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -13.039 -11.672 3.677 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -14.754 -13.235 4.401 1.00 0.54 H new ATOM 0 HG3 GLN A 129 -15.364 -12.091 5.580 1.00 0.54 H new ATOM 0 HE21 GLN A 129 -14.282 -11.140 2.327 1.00 0.93 H new ATOM 0 HE22 GLN A 129 -15.885 -10.720 1.714 1.00 0.93 H new ATOM 2031 N ALA A 130 -11.018 -10.135 5.744 1.00 0.24 N ATOM 2032 CA ALA A 130 -9.711 -9.536 5.533 1.00 0.27 C ATOM 2033 C ALA A 130 -8.738 -9.935 6.633 1.00 0.25 C ATOM 2034 O ALA A 130 -7.577 -10.234 6.356 1.00 0.27 O ATOM 2035 CB ALA A 130 -9.836 -8.029 5.445 1.00 0.30 C ATOM 0 H ALA A 130 -11.733 -9.483 6.067 1.00 0.24 H new ATOM 0 HA ALA A 130 -9.312 -9.909 4.590 1.00 0.27 H new ATOM 0 HB1 ALA A 130 -8.851 -7.591 5.287 1.00 0.30 H new ATOM 0 HB2 ALA A 130 -10.488 -7.766 4.612 1.00 0.30 H new ATOM 0 HB3 ALA A 130 -10.260 -7.644 6.373 1.00 0.30 H new ATOM 2041 N GLN A 131 -9.214 -9.952 7.878 1.00 0.23 N ATOM 2042 CA GLN A 131 -8.370 -10.335 9.006 1.00 0.26 C ATOM 2043 C GLN A 131 -7.897 -11.775 8.838 1.00 0.27 C ATOM 2044 O GLN A 131 -6.743 -12.100 9.115 1.00 0.28 O ATOM 2045 CB GLN A 131 -9.127 -10.180 10.332 1.00 0.28 C ATOM 2046 CG GLN A 131 -8.259 -10.399 11.563 1.00 0.34 C ATOM 2047 CD GLN A 131 -7.126 -9.394 11.661 1.00 0.39 C ATOM 2048 OE1 GLN A 131 -6.017 -9.634 11.186 1.00 0.47 O ATOM 2049 NE2 GLN A 131 -7.400 -8.259 12.282 1.00 0.42 N ATOM 0 H GLN A 131 -10.172 -9.707 8.128 1.00 0.23 H new ATOM 0 HA GLN A 131 -7.504 -9.674 9.027 1.00 0.26 H new ATOM 0 HB2 GLN A 131 -9.561 -9.181 10.378 1.00 0.28 H new ATOM 0 HB3 GLN A 131 -9.955 -10.888 10.352 1.00 0.28 H new ATOM 0 HG2 GLN A 131 -8.879 -10.332 12.457 1.00 0.34 H new ATOM 0 HG3 GLN A 131 -7.845 -11.407 11.537 1.00 0.34 H new ATOM 0 HE21 GLN A 131 -8.333 -8.098 12.662 1.00 0.42 H new ATOM 0 HE22 GLN A 131 -6.679 -7.545 12.381 1.00 0.42 H new ATOM 2058 N ASP A 132 -8.794 -12.624 8.355 1.00 0.29 N ATOM 2059 CA ASP A 132 -8.484 -14.029 8.127 1.00 0.33 C ATOM 2060 C ASP A 132 -7.356 -14.170 7.116 1.00 0.28 C ATOM 2061 O ASP A 132 -6.391 -14.899 7.343 1.00 0.30 O ATOM 2062 CB ASP A 132 -9.728 -14.772 7.622 1.00 0.41 C ATOM 2063 CG ASP A 132 -10.339 -15.673 8.676 1.00 0.58 C ATOM 2064 OD1 ASP A 132 -9.593 -16.201 9.529 1.00 1.17 O ATOM 2065 OD2 ASP A 132 -11.576 -15.864 8.659 1.00 1.18 O ATOM 0 H ASP A 132 -9.749 -12.361 8.112 1.00 0.29 H new ATOM 0 HA ASP A 132 -8.165 -14.467 9.073 1.00 0.33 H new ATOM 0 HB2 ASP A 132 -10.472 -14.046 7.295 1.00 0.41 H new ATOM 0 HB3 ASP A 132 -9.461 -15.369 6.750 1.00 0.41 H new ATOM 2070 N LEU A 133 -7.468 -13.429 6.017 1.00 0.27 N ATOM 2071 CA LEU A 133 -6.474 -13.466 4.949 1.00 0.26 C ATOM 2072 C LEU A 133 -5.143 -12.911 5.442 1.00 0.21 C ATOM 2073 O LEU A 133 -4.076 -13.436 5.108 1.00 0.20 O ATOM 2074 CB LEU A 133 -6.970 -12.671 3.739 1.00 0.32 C ATOM 2075 CG LEU A 133 -6.001 -12.595 2.557 1.00 0.34 C ATOM 2076 CD1 LEU A 133 -5.681 -13.987 2.032 1.00 0.44 C ATOM 2077 CD2 LEU A 133 -6.586 -11.725 1.454 1.00 0.44 C ATOM 0 H LEU A 133 -8.244 -12.791 5.842 1.00 0.27 H new ATOM 0 HA LEU A 133 -6.324 -14.503 4.647 1.00 0.26 H new ATOM 0 HB2 LEU A 133 -7.903 -13.115 3.393 1.00 0.32 H new ATOM 0 HB3 LEU A 133 -7.200 -11.656 4.063 1.00 0.32 H new ATOM 0 HG LEU A 133 -5.071 -12.142 2.900 1.00 0.34 H new ATOM 0 HD11 LEU A 133 -4.991 -13.909 1.192 1.00 0.44 H new ATOM 0 HD12 LEU A 133 -5.223 -14.578 2.825 1.00 0.44 H new ATOM 0 HD13 LEU A 133 -6.600 -14.472 1.703 1.00 0.44 H new ATOM 0 HD21 LEU A 133 -5.888 -11.678 0.618 1.00 0.44 H new ATOM 0 HD22 LEU A 133 -7.529 -12.153 1.115 1.00 0.44 H new ATOM 0 HD23 LEU A 133 -6.760 -10.720 1.837 1.00 0.44 H new ATOM 2089 N ALA A 134 -5.215 -11.855 6.239 1.00 0.21 N ATOM 2090 CA ALA A 134 -4.019 -11.233 6.789 1.00 0.21 C ATOM 2091 C ALA A 134 -3.275 -12.199 7.709 1.00 0.22 C ATOM 2092 O ALA A 134 -2.045 -12.238 7.713 1.00 0.25 O ATOM 2093 CB ALA A 134 -4.365 -9.953 7.540 1.00 0.25 C ATOM 0 H ALA A 134 -6.089 -11.411 6.519 1.00 0.21 H new ATOM 0 HA ALA A 134 -3.366 -10.977 5.955 1.00 0.21 H new ATOM 0 HB1 ALA A 134 -3.454 -9.509 7.941 1.00 0.25 H new ATOM 0 HB2 ALA A 134 -4.843 -9.249 6.859 1.00 0.25 H new ATOM 0 HB3 ALA A 134 -5.046 -10.184 8.359 1.00 0.25 H new ATOM 2099 N ARG A 135 -4.025 -12.991 8.473 1.00 0.24 N ATOM 2100 CA ARG A 135 -3.437 -13.957 9.395 1.00 0.30 C ATOM 2101 C ARG A 135 -2.661 -15.029 8.644 1.00 0.25 C ATOM 2102 O ARG A 135 -1.591 -15.445 9.085 1.00 0.28 O ATOM 2103 CB ARG A 135 -4.520 -14.601 10.265 1.00 0.41 C ATOM 2104 CG ARG A 135 -5.024 -13.687 11.369 1.00 1.21 C ATOM 2105 CD ARG A 135 -5.950 -14.416 12.325 1.00 1.34 C ATOM 2106 NE ARG A 135 -7.260 -14.697 11.734 1.00 1.20 N ATOM 2107 CZ ARG A 135 -8.409 -14.262 12.249 1.00 1.04 C ATOM 2108 NH1 ARG A 135 -8.409 -13.532 13.354 1.00 1.54 N ATOM 2109 NH2 ARG A 135 -9.564 -14.560 11.665 1.00 1.43 N ATOM 0 H ARG A 135 -5.045 -12.981 8.470 1.00 0.24 H new ATOM 0 HA ARG A 135 -2.742 -13.421 10.041 1.00 0.30 H new ATOM 0 HB2 ARG A 135 -5.359 -14.893 9.633 1.00 0.41 H new ATOM 0 HB3 ARG A 135 -4.124 -15.514 10.710 1.00 0.41 H new ATOM 0 HG2 ARG A 135 -4.176 -13.283 11.922 1.00 1.21 H new ATOM 0 HG3 ARG A 135 -5.550 -12.840 10.928 1.00 1.21 H new ATOM 0 HD2 ARG A 135 -5.485 -15.353 12.632 1.00 1.34 H new ATOM 0 HD3 ARG A 135 -6.083 -13.816 13.225 1.00 1.34 H new ATOM 0 HE ARG A 135 -7.295 -15.256 10.882 1.00 1.20 H new ATOM 0 HH11 ARG A 135 -7.528 -13.301 13.813 1.00 1.54 H new ATOM 0 HH12 ARG A 135 -9.290 -13.200 13.746 1.00 1.54 H new ATOM 0 HH21 ARG A 135 -9.575 -15.126 10.816 1.00 1.43 H new ATOM 0 HH22 ARG A 135 -10.440 -14.223 12.065 1.00 1.43 H new ATOM 2123 N SER A 136 -3.189 -15.465 7.501 1.00 0.30 N ATOM 2124 CA SER A 136 -2.526 -16.494 6.707 1.00 0.34 C ATOM 2125 C SER A 136 -1.254 -15.966 6.043 1.00 0.29 C ATOM 2126 O SER A 136 -0.340 -16.730 5.718 1.00 0.36 O ATOM 2127 CB SER A 136 -3.490 -17.043 5.653 1.00 0.43 C ATOM 2128 OG SER A 136 -4.538 -16.121 5.394 1.00 0.68 O ATOM 0 H SER A 136 -4.066 -15.124 7.108 1.00 0.30 H new ATOM 0 HA SER A 136 -2.232 -17.299 7.381 1.00 0.34 H new ATOM 0 HB2 SER A 136 -2.947 -17.250 4.731 1.00 0.43 H new ATOM 0 HB3 SER A 136 -3.909 -17.989 5.996 1.00 0.43 H new ATOM 0 HG SER A 136 -4.156 -15.247 5.170 1.00 0.68 H new ATOM 2134 N TYR A 137 -1.194 -14.658 5.856 1.00 0.27 N ATOM 2135 CA TYR A 137 -0.038 -14.036 5.238 1.00 0.26 C ATOM 2136 C TYR A 137 0.971 -13.630 6.298 1.00 0.25 C ATOM 2137 O TYR A 137 2.145 -13.412 5.996 1.00 0.38 O ATOM 2138 CB TYR A 137 -0.450 -12.808 4.432 1.00 0.30 C ATOM 2139 CG TYR A 137 -1.130 -13.104 3.109 1.00 0.38 C ATOM 2140 CD1 TYR A 137 -1.012 -14.343 2.478 1.00 0.66 C ATOM 2141 CD2 TYR A 137 -1.879 -12.123 2.479 1.00 0.54 C ATOM 2142 CE1 TYR A 137 -1.623 -14.584 1.257 1.00 0.74 C ATOM 2143 CE2 TYR A 137 -2.493 -12.358 1.264 1.00 0.65 C ATOM 2144 CZ TYR A 137 -2.361 -13.588 0.658 1.00 0.63 C ATOM 2145 OH TYR A 137 -2.968 -13.819 -0.558 1.00 0.77 O ATOM 0 H TYR A 137 -1.933 -14.008 6.124 1.00 0.27 H new ATOM 0 HA TYR A 137 0.417 -14.763 4.565 1.00 0.26 H new ATOM 0 HB2 TYR A 137 -1.122 -12.202 5.040 1.00 0.30 H new ATOM 0 HB3 TYR A 137 0.437 -12.205 4.240 1.00 0.30 H new ATOM 0 HD1 TYR A 137 -0.436 -15.126 2.948 1.00 0.66 H new ATOM 0 HD2 TYR A 137 -1.985 -11.156 2.947 1.00 0.54 H new ATOM 0 HE1 TYR A 137 -1.521 -15.547 0.779 1.00 0.74 H new ATOM 0 HE2 TYR A 137 -3.074 -11.580 0.791 1.00 0.65 H new ATOM 0 HH TYR A 137 -3.198 -14.769 -0.634 1.00 0.77 H new ATOM 2155 N GLY A 138 0.508 -13.528 7.537 1.00 0.24 N ATOM 2156 CA GLY A 138 1.374 -13.130 8.625 1.00 0.23 C ATOM 2157 C GLY A 138 1.633 -11.637 8.608 1.00 0.21 C ATOM 2158 O GLY A 138 2.714 -11.177 8.978 1.00 0.25 O ATOM 0 H GLY A 138 -0.458 -13.715 7.807 1.00 0.24 H new ATOM 0 HA2 GLY A 138 0.920 -13.411 9.575 1.00 0.23 H new ATOM 0 HA3 GLY A 138 2.320 -13.666 8.553 1.00 0.23 H new ATOM 2162 N ILE A 139 0.637 -10.886 8.165 1.00 0.19 N ATOM 2163 CA ILE A 139 0.739 -9.437 8.084 1.00 0.20 C ATOM 2164 C ILE A 139 -0.443 -8.791 8.802 1.00 0.19 C ATOM 2165 O ILE A 139 -1.475 -9.434 8.996 1.00 0.22 O ATOM 2166 CB ILE A 139 0.787 -8.956 6.609 1.00 0.23 C ATOM 2167 CG1 ILE A 139 -0.516 -9.310 5.881 1.00 0.26 C ATOM 2168 CG2 ILE A 139 1.985 -9.565 5.887 1.00 0.28 C ATOM 2169 CD1 ILE A 139 -0.573 -8.815 4.451 1.00 0.51 C ATOM 0 H ILE A 139 -0.259 -11.260 7.853 1.00 0.19 H new ATOM 0 HA ILE A 139 1.668 -9.137 8.568 1.00 0.20 H new ATOM 0 HB ILE A 139 0.897 -7.872 6.606 1.00 0.23 H new ATOM 0 HG12 ILE A 139 -0.641 -10.393 5.886 1.00 0.26 H new ATOM 0 HG13 ILE A 139 -1.356 -8.890 6.434 1.00 0.26 H new ATOM 0 HG21 ILE A 139 2.003 -9.217 4.854 1.00 0.28 H new ATOM 0 HG22 ILE A 139 2.904 -9.262 6.388 1.00 0.28 H new ATOM 0 HG23 ILE A 139 1.905 -10.652 5.902 1.00 0.28 H new ATOM 0 HD11 ILE A 139 -1.524 -9.104 4.004 1.00 0.51 H new ATOM 0 HD12 ILE A 139 -0.481 -7.729 4.438 1.00 0.51 H new ATOM 0 HD13 ILE A 139 0.245 -9.255 3.881 1.00 0.51 H new ATOM 2181 N PRO A 140 -0.312 -7.524 9.222 1.00 0.17 N ATOM 2182 CA PRO A 140 -1.383 -6.814 9.918 1.00 0.19 C ATOM 2183 C PRO A 140 -2.434 -6.246 8.962 1.00 0.16 C ATOM 2184 O PRO A 140 -2.142 -5.923 7.807 1.00 0.19 O ATOM 2185 CB PRO A 140 -0.641 -5.688 10.629 1.00 0.24 C ATOM 2186 CG PRO A 140 0.541 -5.397 9.770 1.00 0.36 C ATOM 2187 CD PRO A 140 0.896 -6.685 9.069 1.00 0.20 C ATOM 0 HA PRO A 140 -1.943 -7.470 10.585 1.00 0.19 H new ATOM 0 HB2 PRO A 140 -1.274 -4.807 10.740 1.00 0.24 H new ATOM 0 HB3 PRO A 140 -0.335 -5.989 11.631 1.00 0.24 H new ATOM 0 HG2 PRO A 140 0.311 -4.614 9.047 1.00 0.36 H new ATOM 0 HG3 PRO A 140 1.378 -5.040 10.371 1.00 0.36 H new ATOM 0 HD2 PRO A 140 1.133 -6.515 8.019 1.00 0.20 H new ATOM 0 HD3 PRO A 140 1.769 -7.157 9.520 1.00 0.20 H new ATOM 2195 N PHE A 141 -3.658 -6.135 9.453 1.00 0.19 N ATOM 2196 CA PHE A 141 -4.762 -5.601 8.670 1.00 0.19 C ATOM 2197 C PHE A 141 -5.400 -4.431 9.410 1.00 0.19 C ATOM 2198 O PHE A 141 -5.733 -4.545 10.590 1.00 0.23 O ATOM 2199 CB PHE A 141 -5.804 -6.693 8.400 1.00 0.25 C ATOM 2200 CG PHE A 141 -7.159 -6.171 7.995 1.00 0.27 C ATOM 2201 CD1 PHE A 141 -7.302 -5.331 6.902 1.00 0.27 C ATOM 2202 CD2 PHE A 141 -8.289 -6.521 8.713 1.00 0.34 C ATOM 2203 CE1 PHE A 141 -8.545 -4.851 6.538 1.00 0.31 C ATOM 2204 CE2 PHE A 141 -9.532 -6.046 8.353 1.00 0.38 C ATOM 2205 CZ PHE A 141 -9.660 -5.209 7.266 1.00 0.35 C ATOM 0 H PHE A 141 -3.914 -6.411 10.401 1.00 0.19 H new ATOM 0 HA PHE A 141 -4.379 -5.249 7.712 1.00 0.19 H new ATOM 0 HB2 PHE A 141 -5.430 -7.349 7.614 1.00 0.25 H new ATOM 0 HB3 PHE A 141 -5.916 -7.302 9.297 1.00 0.25 H new ATOM 0 HD1 PHE A 141 -6.432 -5.048 6.328 1.00 0.27 H new ATOM 0 HD2 PHE A 141 -8.196 -7.175 9.567 1.00 0.34 H new ATOM 0 HE1 PHE A 141 -8.643 -4.196 5.685 1.00 0.31 H new ATOM 0 HE2 PHE A 141 -10.405 -6.330 8.922 1.00 0.38 H new ATOM 0 HZ PHE A 141 -10.633 -4.834 6.984 1.00 0.35 H new ATOM 2215 N ILE A 142 -5.558 -3.312 8.718 1.00 0.18 N ATOM 2216 CA ILE A 142 -6.147 -2.119 9.312 1.00 0.21 C ATOM 2217 C ILE A 142 -7.137 -1.453 8.356 1.00 0.19 C ATOM 2218 O ILE A 142 -6.821 -1.217 7.185 1.00 0.20 O ATOM 2219 CB ILE A 142 -5.049 -1.095 9.699 1.00 0.28 C ATOM 2220 CG1 ILE A 142 -4.011 -1.739 10.627 1.00 0.38 C ATOM 2221 CG2 ILE A 142 -5.663 0.132 10.362 1.00 0.40 C ATOM 2222 CD1 ILE A 142 -2.806 -0.863 10.893 1.00 0.54 C ATOM 0 H ILE A 142 -5.286 -3.205 7.741 1.00 0.18 H new ATOM 0 HA ILE A 142 -6.679 -2.436 10.209 1.00 0.21 H new ATOM 0 HB ILE A 142 -4.547 -0.777 8.785 1.00 0.28 H new ATOM 0 HG12 ILE A 142 -4.488 -1.984 11.576 1.00 0.38 H new ATOM 0 HG13 ILE A 142 -3.676 -2.678 10.187 1.00 0.38 H new ATOM 0 HG21 ILE A 142 -4.874 0.837 10.625 1.00 0.40 H new ATOM 0 HG22 ILE A 142 -6.360 0.608 9.672 1.00 0.40 H new ATOM 0 HG23 ILE A 142 -6.195 -0.170 11.264 1.00 0.40 H new ATOM 0 HD11 ILE A 142 -2.116 -1.385 11.557 1.00 0.54 H new ATOM 0 HD12 ILE A 142 -2.304 -0.639 9.952 1.00 0.54 H new ATOM 0 HD13 ILE A 142 -3.128 0.066 11.363 1.00 0.54 H new ATOM 2234 N GLU A 143 -8.339 -1.170 8.853 1.00 0.22 N ATOM 2235 CA GLU A 143 -9.362 -0.498 8.057 1.00 0.21 C ATOM 2236 C GLU A 143 -9.148 1.009 8.145 1.00 0.21 C ATOM 2237 O GLU A 143 -8.938 1.545 9.237 1.00 0.27 O ATOM 2238 CB GLU A 143 -10.775 -0.860 8.537 1.00 0.28 C ATOM 2239 CG GLU A 143 -11.123 -2.336 8.388 1.00 0.34 C ATOM 2240 CD GLU A 143 -12.604 -2.617 8.550 1.00 0.54 C ATOM 2241 OE1 GLU A 143 -13.333 -1.741 9.066 1.00 0.87 O ATOM 2242 OE2 GLU A 143 -13.053 -3.718 8.166 1.00 0.88 O ATOM 0 H GLU A 143 -8.628 -1.396 9.805 1.00 0.22 H new ATOM 0 HA GLU A 143 -9.273 -0.829 7.022 1.00 0.21 H new ATOM 0 HB2 GLU A 143 -10.874 -0.578 9.585 1.00 0.28 H new ATOM 0 HB3 GLU A 143 -11.500 -0.268 7.978 1.00 0.28 H new ATOM 0 HG2 GLU A 143 -10.799 -2.682 7.407 1.00 0.34 H new ATOM 0 HG3 GLU A 143 -10.567 -2.911 9.129 1.00 0.34 H new ATOM 2249 N THR A 144 -9.198 1.691 7.007 1.00 0.24 N ATOM 2250 CA THR A 144 -8.961 3.129 6.973 1.00 0.27 C ATOM 2251 C THR A 144 -9.933 3.847 6.034 1.00 0.26 C ATOM 2252 O THR A 144 -10.798 3.231 5.407 1.00 0.28 O ATOM 2253 CB THR A 144 -7.521 3.429 6.504 1.00 0.36 C ATOM 2254 OG1 THR A 144 -7.280 2.781 5.246 1.00 0.43 O ATOM 2255 CG2 THR A 144 -6.486 2.958 7.519 1.00 0.36 C ATOM 0 H THR A 144 -9.400 1.273 6.099 1.00 0.24 H new ATOM 0 HA THR A 144 -9.114 3.496 7.988 1.00 0.27 H new ATOM 0 HB THR A 144 -7.424 4.510 6.398 1.00 0.36 H new ATOM 0 HG1 THR A 144 -6.432 3.099 4.871 1.00 0.43 H new ATOM 0 HG21 THR A 144 -5.486 3.187 7.152 1.00 0.36 H new ATOM 0 HG22 THR A 144 -6.650 3.467 8.469 1.00 0.36 H new ATOM 0 HG23 THR A 144 -6.582 1.882 7.663 1.00 0.36 H new ATOM 2263 N SER A 145 -9.772 5.159 5.958 1.00 0.25 N ATOM 2264 CA SER A 145 -10.584 6.009 5.103 1.00 0.26 C ATOM 2265 C SER A 145 -9.801 7.272 4.780 1.00 0.26 C ATOM 2266 O SER A 145 -9.179 7.860 5.665 1.00 0.30 O ATOM 2267 CB SER A 145 -11.910 6.367 5.783 1.00 0.27 C ATOM 2268 OG SER A 145 -12.552 7.446 5.121 1.00 0.33 O ATOM 0 H SER A 145 -9.068 5.667 6.493 1.00 0.25 H new ATOM 0 HA SER A 145 -10.818 5.471 4.184 1.00 0.26 H new ATOM 0 HB2 SER A 145 -12.566 5.497 5.786 1.00 0.27 H new ATOM 0 HB3 SER A 145 -11.728 6.633 6.824 1.00 0.27 H new ATOM 0 HG SER A 145 -13.287 7.102 4.571 1.00 0.33 H new ATOM 2274 N ALA A 146 -9.828 7.685 3.522 1.00 0.33 N ATOM 2275 CA ALA A 146 -9.104 8.872 3.089 1.00 0.34 C ATOM 2276 C ALA A 146 -9.858 10.144 3.455 1.00 0.29 C ATOM 2277 O ALA A 146 -9.345 11.254 3.301 1.00 0.32 O ATOM 2278 CB ALA A 146 -8.856 8.816 1.592 1.00 0.45 C ATOM 0 H ALA A 146 -10.345 7.214 2.780 1.00 0.33 H new ATOM 0 HA ALA A 146 -8.145 8.892 3.607 1.00 0.34 H new ATOM 0 HB1 ALA A 146 -8.314 9.709 1.279 1.00 0.45 H new ATOM 0 HB2 ALA A 146 -8.266 7.931 1.354 1.00 0.45 H new ATOM 0 HB3 ALA A 146 -9.810 8.768 1.067 1.00 0.45 H new ATOM 2284 N LYS A 147 -11.078 9.977 3.948 1.00 0.33 N ATOM 2285 CA LYS A 147 -11.897 11.113 4.333 1.00 0.40 C ATOM 2286 C LYS A 147 -11.756 11.413 5.825 1.00 0.40 C ATOM 2287 O LYS A 147 -11.536 12.559 6.214 1.00 0.52 O ATOM 2288 CB LYS A 147 -13.367 10.861 3.992 1.00 0.50 C ATOM 2289 CG LYS A 147 -14.278 12.041 4.318 1.00 0.75 C ATOM 2290 CD LYS A 147 -15.591 11.587 4.934 1.00 1.10 C ATOM 2291 CE LYS A 147 -16.658 11.341 3.879 1.00 1.04 C ATOM 2292 NZ LYS A 147 -17.718 10.428 4.376 1.00 1.32 N ATOM 0 H LYS A 147 -11.519 9.068 4.089 1.00 0.33 H new ATOM 0 HA LYS A 147 -11.546 11.978 3.770 1.00 0.40 H new ATOM 0 HB2 LYS A 147 -13.451 10.630 2.930 1.00 0.50 H new ATOM 0 HB3 LYS A 147 -13.713 9.983 4.538 1.00 0.50 H new ATOM 0 HG2 LYS A 147 -13.768 12.715 5.006 1.00 0.75 H new ATOM 0 HG3 LYS A 147 -14.480 12.607 3.408 1.00 0.75 H new ATOM 0 HD2 LYS A 147 -15.427 10.673 5.505 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -15.943 12.343 5.637 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -17.104 12.291 3.584 1.00 1.04 H new ATOM 0 HE3 LYS A 147 -16.198 10.914 2.988 1.00 1.04 H new ATOM 0 HZ1 LYS A 147 -18.238 10.028 3.569 1.00 1.32 H new ATOM 0 HZ2 LYS A 147 -17.284 9.658 4.924 1.00 1.32 H new ATOM 0 HZ3 LYS A 147 -18.375 10.957 4.984 1.00 1.32 H new ATOM 2306 N THR A 148 -11.881 10.381 6.657 1.00 0.37 N ATOM 2307 CA THR A 148 -11.786 10.547 8.102 1.00 0.41 C ATOM 2308 C THR A 148 -10.364 10.324 8.609 1.00 0.42 C ATOM 2309 O THR A 148 -10.051 10.654 9.756 1.00 0.49 O ATOM 2310 CB THR A 148 -12.733 9.575 8.821 1.00 0.43 C ATOM 2311 OG1 THR A 148 -12.712 8.308 8.154 1.00 0.40 O ATOM 2312 CG2 THR A 148 -14.150 10.119 8.839 1.00 0.52 C ATOM 0 H THR A 148 -12.048 9.422 6.353 1.00 0.37 H new ATOM 0 HA THR A 148 -12.074 11.575 8.322 1.00 0.41 H new ATOM 0 HB THR A 148 -12.396 9.456 9.851 1.00 0.43 H new ATOM 0 HG1 THR A 148 -13.315 7.687 8.613 1.00 0.40 H new ATOM 0 HG21 THR A 148 -14.804 9.414 9.353 1.00 0.52 H new ATOM 0 HG22 THR A 148 -14.166 11.076 9.361 1.00 0.52 H new ATOM 0 HG23 THR A 148 -14.499 10.258 7.816 1.00 0.52 H new ATOM 2320 N ARG A 149 -9.509 9.765 7.743 1.00 0.39 N ATOM 2321 CA ARG A 149 -8.110 9.480 8.083 1.00 0.46 C ATOM 2322 C ARG A 149 -8.028 8.561 9.298 1.00 0.48 C ATOM 2323 O ARG A 149 -7.146 8.700 10.149 1.00 0.66 O ATOM 2324 CB ARG A 149 -7.346 10.774 8.349 1.00 0.54 C ATOM 2325 CG ARG A 149 -7.562 11.838 7.284 1.00 0.98 C ATOM 2326 CD ARG A 149 -6.802 13.106 7.615 1.00 0.93 C ATOM 2327 NE ARG A 149 -5.488 13.147 6.969 1.00 1.19 N ATOM 2328 CZ ARG A 149 -4.359 13.526 7.577 1.00 1.06 C ATOM 2329 NH1 ARG A 149 -4.372 13.893 8.849 1.00 1.53 N ATOM 2330 NH2 ARG A 149 -3.216 13.545 6.909 1.00 1.39 N ATOM 0 H ARG A 149 -9.766 9.499 6.792 1.00 0.39 H new ATOM 0 HA ARG A 149 -7.651 8.974 7.233 1.00 0.46 H new ATOM 0 HB2 ARG A 149 -7.650 11.173 9.317 1.00 0.54 H new ATOM 0 HB3 ARG A 149 -6.281 10.550 8.417 1.00 0.54 H new ATOM 0 HG2 ARG A 149 -7.237 11.458 6.315 1.00 0.98 H new ATOM 0 HG3 ARG A 149 -8.626 12.060 7.198 1.00 0.98 H new ATOM 0 HD2 ARG A 149 -7.387 13.971 7.301 1.00 0.93 H new ATOM 0 HD3 ARG A 149 -6.677 13.181 8.695 1.00 0.93 H new ATOM 0 HE ARG A 149 -5.430 12.868 5.990 1.00 1.19 H new ATOM 0 HH11 ARG A 149 -5.247 13.888 9.372 1.00 1.53 H new ATOM 0 HH12 ARG A 149 -3.507 14.181 9.306 1.00 1.53 H new ATOM 0 HH21 ARG A 149 -3.195 13.270 5.927 1.00 1.39 H new ATOM 0 HH22 ARG A 149 -2.357 13.835 7.376 1.00 1.39 H new ATOM 2344 N GLN A 150 -8.950 7.607 9.347 1.00 0.40 N ATOM 2345 CA GLN A 150 -9.035 6.652 10.446 1.00 0.42 C ATOM 2346 C GLN A 150 -7.868 5.662 10.445 1.00 0.42 C ATOM 2347 O GLN A 150 -7.894 4.651 9.746 1.00 0.51 O ATOM 2348 CB GLN A 150 -10.368 5.896 10.382 1.00 0.48 C ATOM 2349 CG GLN A 150 -10.590 4.945 11.547 1.00 0.52 C ATOM 2350 CD GLN A 150 -11.814 4.068 11.355 1.00 0.69 C ATOM 2351 OE1 GLN A 150 -12.799 4.479 10.741 1.00 0.87 O ATOM 2352 NE2 GLN A 150 -11.758 2.852 11.866 1.00 0.87 N ATOM 0 H GLN A 150 -9.660 7.473 8.627 1.00 0.40 H new ATOM 0 HA GLN A 150 -8.979 7.218 11.376 1.00 0.42 H new ATOM 0 HB2 GLN A 150 -11.184 6.618 10.354 1.00 0.48 H new ATOM 0 HB3 GLN A 150 -10.410 5.331 9.451 1.00 0.48 H new ATOM 0 HG2 GLN A 150 -9.710 4.314 11.669 1.00 0.52 H new ATOM 0 HG3 GLN A 150 -10.700 5.521 12.466 1.00 0.52 H new ATOM 0 HE21 GLN A 150 -10.924 2.548 12.368 1.00 0.87 H new ATOM 0 HE22 GLN A 150 -12.549 2.217 11.758 1.00 0.87 H new ATOM 2361 N GLY A 151 -6.836 5.985 11.215 1.00 0.42 N ATOM 2362 CA GLY A 151 -5.679 5.112 11.336 1.00 0.51 C ATOM 2363 C GLY A 151 -4.836 5.005 10.080 1.00 0.45 C ATOM 2364 O GLY A 151 -4.099 4.032 9.919 1.00 0.42 O ATOM 0 H GLY A 151 -6.778 6.843 11.763 1.00 0.42 H new ATOM 0 HA2 GLY A 151 -5.051 5.474 12.150 1.00 0.51 H new ATOM 0 HA3 GLY A 151 -6.020 4.115 11.615 1.00 0.51 H new ATOM 2368 N VAL A 152 -4.922 5.989 9.194 1.00 0.49 N ATOM 2369 CA VAL A 152 -4.141 5.956 7.961 1.00 0.50 C ATOM 2370 C VAL A 152 -2.650 6.071 8.266 1.00 0.39 C ATOM 2371 O VAL A 152 -1.851 5.245 7.818 1.00 0.41 O ATOM 2372 CB VAL A 152 -4.550 7.080 6.991 1.00 0.61 C ATOM 2373 CG1 VAL A 152 -3.627 7.103 5.781 1.00 0.74 C ATOM 2374 CG2 VAL A 152 -5.992 6.909 6.555 1.00 0.67 C ATOM 0 H VAL A 152 -5.516 6.811 9.302 1.00 0.49 H new ATOM 0 HA VAL A 152 -4.345 4.999 7.482 1.00 0.50 H new ATOM 0 HB VAL A 152 -4.459 8.033 7.512 1.00 0.61 H new ATOM 0 HG11 VAL A 152 -3.931 7.903 5.107 1.00 0.74 H new ATOM 0 HG12 VAL A 152 -2.602 7.275 6.109 1.00 0.74 H new ATOM 0 HG13 VAL A 152 -3.686 6.147 5.260 1.00 0.74 H new ATOM 0 HG21 VAL A 152 -6.263 7.713 5.870 1.00 0.67 H new ATOM 0 HG22 VAL A 152 -6.109 5.949 6.052 1.00 0.67 H new ATOM 0 HG23 VAL A 152 -6.643 6.943 7.429 1.00 0.67 H new ATOM 2384 N ASP A 153 -2.288 7.096 9.040 1.00 0.37 N ATOM 2385 CA ASP A 153 -0.893 7.325 9.425 1.00 0.38 C ATOM 2386 C ASP A 153 -0.339 6.112 10.148 1.00 0.32 C ATOM 2387 O ASP A 153 0.796 5.698 9.909 1.00 0.33 O ATOM 2388 CB ASP A 153 -0.769 8.562 10.321 1.00 0.51 C ATOM 2389 CG ASP A 153 -0.556 9.850 9.541 1.00 0.87 C ATOM 2390 OD1 ASP A 153 0.602 10.316 9.452 1.00 1.62 O ATOM 2391 OD2 ASP A 153 -1.550 10.421 9.042 1.00 1.24 O ATOM 0 H ASP A 153 -2.943 7.783 9.414 1.00 0.37 H new ATOM 0 HA ASP A 153 -0.317 7.494 8.515 1.00 0.38 H new ATOM 0 HB2 ASP A 153 -1.671 8.656 10.925 1.00 0.51 H new ATOM 0 HB3 ASP A 153 0.063 8.421 11.010 1.00 0.51 H new ATOM 2396 N ASP A 154 -1.162 5.525 11.009 1.00 0.31 N ATOM 2397 CA ASP A 154 -0.766 4.350 11.775 1.00 0.32 C ATOM 2398 C ASP A 154 -0.395 3.210 10.837 1.00 0.31 C ATOM 2399 O ASP A 154 0.668 2.608 10.972 1.00 0.34 O ATOM 2400 CB ASP A 154 -1.901 3.905 12.707 1.00 0.38 C ATOM 2401 CG ASP A 154 -2.246 4.942 13.758 1.00 0.71 C ATOM 2402 OD1 ASP A 154 -3.293 5.606 13.619 1.00 0.99 O ATOM 2403 OD2 ASP A 154 -1.476 5.097 14.733 1.00 1.00 O ATOM 0 H ASP A 154 -2.112 5.846 11.194 1.00 0.31 H new ATOM 0 HA ASP A 154 0.102 4.613 12.379 1.00 0.32 H new ATOM 0 HB2 ASP A 154 -2.789 3.689 12.112 1.00 0.38 H new ATOM 0 HB3 ASP A 154 -1.615 2.976 13.201 1.00 0.38 H new ATOM 2408 N ALA A 155 -1.267 2.932 9.870 1.00 0.30 N ATOM 2409 CA ALA A 155 -1.034 1.861 8.903 1.00 0.32 C ATOM 2410 C ALA A 155 0.261 2.098 8.124 1.00 0.29 C ATOM 2411 O ALA A 155 1.037 1.170 7.880 1.00 0.31 O ATOM 2412 CB ALA A 155 -2.217 1.751 7.952 1.00 0.37 C ATOM 0 H ALA A 155 -2.144 3.435 9.735 1.00 0.30 H new ATOM 0 HA ALA A 155 -0.930 0.922 9.447 1.00 0.32 H new ATOM 0 HB1 ALA A 155 -2.034 0.950 7.235 1.00 0.37 H new ATOM 0 HB2 ALA A 155 -3.121 1.530 8.520 1.00 0.37 H new ATOM 0 HB3 ALA A 155 -2.344 2.693 7.419 1.00 0.37 H new ATOM 2418 N PHE A 156 0.494 3.351 7.766 1.00 0.28 N ATOM 2419 CA PHE A 156 1.683 3.739 7.015 1.00 0.30 C ATOM 2420 C PHE A 156 2.950 3.476 7.821 1.00 0.29 C ATOM 2421 O PHE A 156 3.901 2.874 7.322 1.00 0.33 O ATOM 2422 CB PHE A 156 1.609 5.223 6.644 1.00 0.36 C ATOM 2423 CG PHE A 156 0.749 5.518 5.445 1.00 0.55 C ATOM 2424 CD1 PHE A 156 0.798 6.763 4.846 1.00 1.21 C ATOM 2425 CD2 PHE A 156 -0.102 4.558 4.917 1.00 0.92 C ATOM 2426 CE1 PHE A 156 0.019 7.048 3.743 1.00 1.46 C ATOM 2427 CE2 PHE A 156 -0.884 4.840 3.816 1.00 1.05 C ATOM 2428 CZ PHE A 156 -0.821 6.087 3.228 1.00 1.11 C ATOM 0 H PHE A 156 -0.131 4.126 7.985 1.00 0.28 H new ATOM 0 HA PHE A 156 1.720 3.138 6.107 1.00 0.30 H new ATOM 0 HB2 PHE A 156 1.225 5.781 7.498 1.00 0.36 H new ATOM 0 HB3 PHE A 156 2.618 5.589 6.452 1.00 0.36 H new ATOM 0 HD1 PHE A 156 1.454 7.522 5.246 1.00 1.21 H new ATOM 0 HD2 PHE A 156 -0.153 3.580 5.372 1.00 0.92 H new ATOM 0 HE1 PHE A 156 0.068 8.024 3.284 1.00 1.46 H new ATOM 0 HE2 PHE A 156 -1.545 4.086 3.415 1.00 1.05 H new ATOM 0 HZ PHE A 156 -1.430 6.309 2.364 1.00 1.11 H new ATOM 2438 N TYR A 157 2.959 3.923 9.071 1.00 0.29 N ATOM 2439 CA TYR A 157 4.124 3.742 9.933 1.00 0.34 C ATOM 2440 C TYR A 157 4.323 2.265 10.260 1.00 0.32 C ATOM 2441 O TYR A 157 5.451 1.808 10.449 1.00 0.35 O ATOM 2442 CB TYR A 157 3.985 4.565 11.217 1.00 0.43 C ATOM 2443 CG TYR A 157 3.759 6.048 10.983 1.00 0.47 C ATOM 2444 CD1 TYR A 157 4.083 6.649 9.769 1.00 0.86 C ATOM 2445 CD2 TYR A 157 3.201 6.844 11.976 1.00 0.88 C ATOM 2446 CE1 TYR A 157 3.853 7.994 9.555 1.00 0.98 C ATOM 2447 CE2 TYR A 157 2.974 8.190 11.772 1.00 0.98 C ATOM 2448 CZ TYR A 157 3.299 8.759 10.560 1.00 0.79 C ATOM 2449 OH TYR A 157 3.055 10.096 10.347 1.00 0.99 O ATOM 0 H TYR A 157 2.178 4.411 9.510 1.00 0.29 H new ATOM 0 HA TYR A 157 5.003 4.098 9.396 1.00 0.34 H new ATOM 0 HB2 TYR A 157 3.154 4.170 11.801 1.00 0.43 H new ATOM 0 HB3 TYR A 157 4.886 4.436 11.817 1.00 0.43 H new ATOM 0 HD1 TYR A 157 4.521 6.053 8.982 1.00 0.86 H new ATOM 0 HD2 TYR A 157 2.940 6.401 12.926 1.00 0.88 H new ATOM 0 HE1 TYR A 157 4.105 8.444 8.606 1.00 0.98 H new ATOM 0 HE2 TYR A 157 2.544 8.794 12.558 1.00 0.98 H new ATOM 0 HH TYR A 157 2.252 10.198 9.795 1.00 0.99 H new ATOM 2459 N THR A 158 3.223 1.522 10.316 1.00 0.29 N ATOM 2460 CA THR A 158 3.279 0.097 10.597 1.00 0.28 C ATOM 2461 C THR A 158 4.067 -0.629 9.502 1.00 0.25 C ATOM 2462 O THR A 158 4.878 -1.509 9.791 1.00 0.29 O ATOM 2463 CB THR A 158 1.858 -0.507 10.720 1.00 0.29 C ATOM 2464 OG1 THR A 158 1.140 0.152 11.778 1.00 0.30 O ATOM 2465 CG2 THR A 158 1.917 -2.005 10.997 1.00 0.34 C ATOM 0 H THR A 158 2.282 1.886 10.170 1.00 0.29 H new ATOM 0 HA THR A 158 3.788 -0.037 11.552 1.00 0.28 H new ATOM 0 HB THR A 158 1.341 -0.355 9.772 1.00 0.29 H new ATOM 0 HG1 THR A 158 0.904 1.061 11.497 1.00 0.30 H new ATOM 0 HG21 THR A 158 0.904 -2.400 11.078 1.00 0.34 H new ATOM 0 HG22 THR A 158 2.438 -2.506 10.181 1.00 0.34 H new ATOM 0 HG23 THR A 158 2.451 -2.182 11.931 1.00 0.34 H new ATOM 2473 N LEU A 159 3.847 -0.230 8.251 1.00 0.23 N ATOM 2474 CA LEU A 159 4.542 -0.835 7.120 1.00 0.23 C ATOM 2475 C LEU A 159 6.051 -0.672 7.272 1.00 0.22 C ATOM 2476 O LEU A 159 6.814 -1.606 7.023 1.00 0.21 O ATOM 2477 CB LEU A 159 4.076 -0.212 5.799 1.00 0.25 C ATOM 2478 CG LEU A 159 4.726 -0.796 4.538 1.00 0.28 C ATOM 2479 CD1 LEU A 159 4.294 -2.243 4.329 1.00 0.40 C ATOM 2480 CD2 LEU A 159 4.377 0.041 3.317 1.00 0.42 C ATOM 0 H LEU A 159 3.193 0.510 7.996 1.00 0.23 H new ATOM 0 HA LEU A 159 4.303 -1.898 7.105 1.00 0.23 H new ATOM 0 HB2 LEU A 159 2.995 -0.331 5.720 1.00 0.25 H new ATOM 0 HB3 LEU A 159 4.277 0.859 5.830 1.00 0.25 H new ATOM 0 HG LEU A 159 5.807 -0.775 4.674 1.00 0.28 H new ATOM 0 HD11 LEU A 159 4.767 -2.637 3.429 1.00 0.40 H new ATOM 0 HD12 LEU A 159 4.596 -2.841 5.189 1.00 0.40 H new ATOM 0 HD13 LEU A 159 3.210 -2.287 4.219 1.00 0.40 H new ATOM 0 HD21 LEU A 159 4.848 -0.390 2.434 1.00 0.42 H new ATOM 0 HD22 LEU A 159 3.295 0.054 3.182 1.00 0.42 H new ATOM 0 HD23 LEU A 159 4.737 1.060 3.459 1.00 0.42 H new ATOM 2492 N VAL A 160 6.472 0.513 7.704 1.00 0.26 N ATOM 2493 CA VAL A 160 7.889 0.800 7.895 1.00 0.29 C ATOM 2494 C VAL A 160 8.483 -0.132 8.952 1.00 0.27 C ATOM 2495 O VAL A 160 9.603 -0.626 8.800 1.00 0.28 O ATOM 2496 CB VAL A 160 8.128 2.271 8.307 1.00 0.37 C ATOM 2497 CG1 VAL A 160 9.614 2.543 8.522 1.00 0.55 C ATOM 2498 CG2 VAL A 160 7.556 3.222 7.262 1.00 0.34 C ATOM 0 H VAL A 160 5.851 1.290 7.928 1.00 0.26 H new ATOM 0 HA VAL A 160 8.385 0.632 6.939 1.00 0.29 H new ATOM 0 HB VAL A 160 7.611 2.445 9.251 1.00 0.37 H new ATOM 0 HG11 VAL A 160 9.755 3.584 8.811 1.00 0.55 H new ATOM 0 HG12 VAL A 160 9.992 1.893 9.311 1.00 0.55 H new ATOM 0 HG13 VAL A 160 10.157 2.346 7.598 1.00 0.55 H new ATOM 0 HG21 VAL A 160 7.735 4.252 7.571 1.00 0.34 H new ATOM 0 HG22 VAL A 160 8.040 3.042 6.302 1.00 0.34 H new ATOM 0 HG23 VAL A 160 6.484 3.053 7.165 1.00 0.34 H new ATOM 2508 N ARG A 161 7.718 -0.386 10.010 1.00 0.26 N ATOM 2509 CA ARG A 161 8.171 -1.263 11.083 1.00 0.28 C ATOM 2510 C ARG A 161 8.266 -2.705 10.593 1.00 0.23 C ATOM 2511 O ARG A 161 9.138 -3.458 11.025 1.00 0.23 O ATOM 2512 CB ARG A 161 7.246 -1.161 12.298 1.00 0.37 C ATOM 2513 CG ARG A 161 7.430 0.135 13.071 1.00 0.51 C ATOM 2514 CD ARG A 161 6.651 0.134 14.376 1.00 0.61 C ATOM 2515 NE ARG A 161 6.842 1.380 15.125 1.00 0.64 N ATOM 2516 CZ ARG A 161 5.859 2.217 15.454 1.00 0.76 C ATOM 2517 NH1 ARG A 161 4.602 1.961 15.106 1.00 0.82 N ATOM 2518 NH2 ARG A 161 6.139 3.320 16.136 1.00 0.90 N ATOM 0 H ARG A 161 6.785 0.002 10.146 1.00 0.26 H new ATOM 0 HA ARG A 161 9.166 -0.940 11.390 1.00 0.28 H new ATOM 0 HB2 ARG A 161 6.210 -1.238 11.968 1.00 0.37 H new ATOM 0 HB3 ARG A 161 7.432 -2.005 12.963 1.00 0.37 H new ATOM 0 HG2 ARG A 161 8.489 0.285 13.281 1.00 0.51 H new ATOM 0 HG3 ARG A 161 7.105 0.974 12.455 1.00 0.51 H new ATOM 0 HD2 ARG A 161 5.590 -0.005 14.166 1.00 0.61 H new ATOM 0 HD3 ARG A 161 6.968 -0.710 14.988 1.00 0.61 H new ATOM 0 HE ARG A 161 7.790 1.622 15.413 1.00 0.64 H new ATOM 0 HH11 ARG A 161 4.380 1.115 14.581 1.00 0.82 H new ATOM 0 HH12 ARG A 161 3.859 2.610 15.364 1.00 0.82 H new ATOM 0 HH21 ARG A 161 7.102 3.523 16.405 1.00 0.90 H new ATOM 0 HH22 ARG A 161 5.391 3.965 16.391 1.00 0.90 H new ATOM 2532 N GLU A 162 7.368 -3.087 9.686 1.00 0.22 N ATOM 2533 CA GLU A 162 7.383 -4.433 9.122 1.00 0.22 C ATOM 2534 C GLU A 162 8.668 -4.631 8.324 1.00 0.21 C ATOM 2535 O GLU A 162 9.300 -5.687 8.390 1.00 0.25 O ATOM 2536 CB GLU A 162 6.162 -4.676 8.225 1.00 0.25 C ATOM 2537 CG GLU A 162 4.826 -4.609 8.952 1.00 0.31 C ATOM 2538 CD GLU A 162 4.762 -5.511 10.169 1.00 0.52 C ATOM 2539 OE1 GLU A 162 4.757 -6.754 10.008 1.00 0.73 O ATOM 2540 OE2 GLU A 162 4.712 -4.987 11.300 1.00 0.68 O ATOM 0 H GLU A 162 6.625 -2.486 9.328 1.00 0.22 H new ATOM 0 HA GLU A 162 7.342 -5.152 9.940 1.00 0.22 H new ATOM 0 HB2 GLU A 162 6.163 -3.938 7.423 1.00 0.25 H new ATOM 0 HB3 GLU A 162 6.259 -5.656 7.757 1.00 0.25 H new ATOM 0 HG2 GLU A 162 4.639 -3.580 9.260 1.00 0.31 H new ATOM 0 HG3 GLU A 162 4.029 -4.885 8.261 1.00 0.31 H new ATOM 2547 N ILE A 163 9.051 -3.593 7.582 1.00 0.20 N ATOM 2548 CA ILE A 163 10.268 -3.621 6.784 1.00 0.23 C ATOM 2549 C ILE A 163 11.483 -3.785 7.693 1.00 0.22 C ATOM 2550 O ILE A 163 12.375 -4.588 7.418 1.00 0.22 O ATOM 2551 CB ILE A 163 10.438 -2.332 5.947 1.00 0.29 C ATOM 2552 CG1 ILE A 163 9.217 -2.108 5.049 1.00 0.27 C ATOM 2553 CG2 ILE A 163 11.709 -2.406 5.109 1.00 0.42 C ATOM 2554 CD1 ILE A 163 9.200 -0.750 4.374 1.00 0.31 C ATOM 0 H ILE A 163 8.530 -2.718 7.519 1.00 0.20 H new ATOM 0 HA ILE A 163 10.189 -4.466 6.101 1.00 0.23 H new ATOM 0 HB ILE A 163 10.522 -1.487 6.630 1.00 0.29 H new ATOM 0 HG12 ILE A 163 9.191 -2.885 4.285 1.00 0.27 H new ATOM 0 HG13 ILE A 163 8.312 -2.219 5.646 1.00 0.27 H new ATOM 0 HG21 ILE A 163 11.814 -1.491 4.526 1.00 0.42 H new ATOM 0 HG22 ILE A 163 12.572 -2.519 5.766 1.00 0.42 H new ATOM 0 HG23 ILE A 163 11.651 -3.261 4.435 1.00 0.42 H new ATOM 0 HD11 ILE A 163 8.307 -0.663 3.755 1.00 0.31 H new ATOM 0 HD12 ILE A 163 9.194 0.033 5.132 1.00 0.31 H new ATOM 0 HD13 ILE A 163 10.087 -0.643 3.749 1.00 0.31 H new ATOM 2566 N ARG A 164 11.490 -3.038 8.795 1.00 0.22 N ATOM 2567 CA ARG A 164 12.588 -3.088 9.753 1.00 0.23 C ATOM 2568 C ARG A 164 12.762 -4.493 10.311 1.00 0.23 C ATOM 2569 O ARG A 164 13.880 -4.991 10.403 1.00 0.25 O ATOM 2570 CB ARG A 164 12.350 -2.097 10.894 1.00 0.26 C ATOM 2571 CG ARG A 164 12.598 -0.653 10.497 1.00 0.33 C ATOM 2572 CD ARG A 164 12.633 0.263 11.711 1.00 0.42 C ATOM 2573 NE ARG A 164 13.054 1.618 11.356 1.00 0.55 N ATOM 2574 CZ ARG A 164 12.820 2.698 12.105 1.00 0.66 C ATOM 2575 NH1 ARG A 164 12.166 2.591 13.253 1.00 0.69 N ATOM 2576 NH2 ARG A 164 13.242 3.890 11.700 1.00 0.87 N ATOM 0 H ARG A 164 10.744 -2.389 9.046 1.00 0.22 H new ATOM 0 HA ARG A 164 13.502 -2.810 9.229 1.00 0.23 H new ATOM 0 HB2 ARG A 164 11.323 -2.199 11.246 1.00 0.26 H new ATOM 0 HB3 ARG A 164 13.000 -2.353 11.730 1.00 0.26 H new ATOM 0 HG2 ARG A 164 13.543 -0.580 9.958 1.00 0.33 H new ATOM 0 HG3 ARG A 164 11.815 -0.323 9.814 1.00 0.33 H new ATOM 0 HD2 ARG A 164 11.645 0.298 12.169 1.00 0.42 H new ATOM 0 HD3 ARG A 164 13.315 -0.146 12.456 1.00 0.42 H new ATOM 0 HE ARG A 164 13.559 1.746 10.479 1.00 0.55 H new ATOM 0 HH11 ARG A 164 11.838 1.679 13.570 1.00 0.69 H new ATOM 0 HH12 ARG A 164 11.991 3.421 13.820 1.00 0.69 H new ATOM 0 HH21 ARG A 164 13.745 3.980 10.817 1.00 0.87 H new ATOM 0 HH22 ARG A 164 13.063 4.716 12.272 1.00 0.87 H new ATOM 2590 N LYS A 165 11.647 -5.133 10.657 1.00 0.27 N ATOM 2591 CA LYS A 165 11.669 -6.489 11.205 1.00 0.32 C ATOM 2592 C LYS A 165 12.253 -7.484 10.202 1.00 0.31 C ATOM 2593 O LYS A 165 12.826 -8.502 10.586 1.00 0.33 O ATOM 2594 CB LYS A 165 10.261 -6.928 11.609 1.00 0.43 C ATOM 2595 CG LYS A 165 9.738 -6.226 12.852 1.00 0.87 C ATOM 2596 CD LYS A 165 8.379 -6.765 13.278 1.00 0.97 C ATOM 2597 CE LYS A 165 7.346 -6.605 12.178 1.00 0.74 C ATOM 2598 NZ LYS A 165 6.015 -7.136 12.576 1.00 0.80 N ATOM 0 H LYS A 165 10.713 -4.733 10.567 1.00 0.27 H new ATOM 0 HA LYS A 165 12.307 -6.476 12.088 1.00 0.32 H new ATOM 0 HB2 LYS A 165 9.579 -6.738 10.781 1.00 0.43 H new ATOM 0 HB3 LYS A 165 10.261 -8.004 11.782 1.00 0.43 H new ATOM 0 HG2 LYS A 165 10.450 -6.352 13.667 1.00 0.87 H new ATOM 0 HG3 LYS A 165 9.660 -5.156 12.659 1.00 0.87 H new ATOM 0 HD2 LYS A 165 8.471 -7.819 13.541 1.00 0.97 H new ATOM 0 HD3 LYS A 165 8.043 -6.241 14.173 1.00 0.97 H new ATOM 0 HE2 LYS A 165 7.252 -5.550 11.921 1.00 0.74 H new ATOM 0 HE3 LYS A 165 7.689 -7.123 11.282 1.00 0.74 H new ATOM 0 HZ1 LYS A 165 5.757 -7.928 11.954 1.00 0.80 H new ATOM 0 HZ2 LYS A 165 6.054 -7.468 13.561 1.00 0.80 H new ATOM 0 HZ3 LYS A 165 5.302 -6.384 12.492 1.00 0.80 H new ATOM 2612 N HIS A 166 12.108 -7.180 8.921 1.00 0.31 N ATOM 2613 CA HIS A 166 12.620 -8.041 7.865 1.00 0.32 C ATOM 2614 C HIS A 166 14.118 -7.823 7.673 1.00 0.29 C ATOM 2615 O HIS A 166 14.864 -8.760 7.391 1.00 0.34 O ATOM 2616 CB HIS A 166 11.867 -7.757 6.561 1.00 0.37 C ATOM 2617 CG HIS A 166 12.361 -8.522 5.367 1.00 0.46 C ATOM 2618 ND1 HIS A 166 11.809 -9.713 4.950 1.00 0.60 N ATOM 2619 CD2 HIS A 166 13.340 -8.237 4.475 1.00 0.54 C ATOM 2620 CE1 HIS A 166 12.427 -10.130 3.863 1.00 0.71 C ATOM 2621 NE2 HIS A 166 13.358 -9.252 3.553 1.00 0.67 N ATOM 0 H HIS A 166 11.638 -6.339 8.586 1.00 0.31 H new ATOM 0 HA HIS A 166 12.463 -9.082 8.149 1.00 0.32 H new ATOM 0 HB2 HIS A 166 10.812 -7.986 6.710 1.00 0.37 H new ATOM 0 HB3 HIS A 166 11.934 -6.691 6.344 1.00 0.37 H new ATOM 0 HD1 HIS A 166 11.040 -10.198 5.412 1.00 0.60 H new ATOM 0 HD2 HIS A 166 13.986 -7.372 4.488 1.00 0.54 H new ATOM 0 HE1 HIS A 166 12.207 -11.037 3.319 1.00 0.71 H new ATOM 2630 N LYS A 167 14.554 -6.586 7.841 1.00 0.27 N ATOM 2631 CA LYS A 167 15.956 -6.241 7.667 1.00 0.30 C ATOM 2632 C LYS A 167 16.790 -6.663 8.875 1.00 0.29 C ATOM 2633 O LYS A 167 17.961 -7.009 8.732 1.00 0.40 O ATOM 2634 CB LYS A 167 16.112 -4.742 7.401 1.00 0.37 C ATOM 2635 CG LYS A 167 15.315 -4.271 6.193 1.00 0.45 C ATOM 2636 CD LYS A 167 15.697 -2.862 5.755 1.00 0.62 C ATOM 2637 CE LYS A 167 16.804 -2.883 4.709 1.00 1.11 C ATOM 2638 NZ LYS A 167 16.994 -1.556 4.068 1.00 0.97 N ATOM 0 H LYS A 167 13.956 -5.801 8.099 1.00 0.27 H new ATOM 0 HA LYS A 167 16.328 -6.789 6.801 1.00 0.30 H new ATOM 0 HB2 LYS A 167 15.791 -4.186 8.282 1.00 0.37 H new ATOM 0 HB3 LYS A 167 17.166 -4.513 7.247 1.00 0.37 H new ATOM 0 HG2 LYS A 167 15.475 -4.961 5.365 1.00 0.45 H new ATOM 0 HG3 LYS A 167 14.251 -4.298 6.430 1.00 0.45 H new ATOM 0 HD2 LYS A 167 14.821 -2.356 5.349 1.00 0.62 H new ATOM 0 HD3 LYS A 167 16.024 -2.287 6.621 1.00 0.62 H new ATOM 0 HE2 LYS A 167 17.738 -3.196 5.176 1.00 1.11 H new ATOM 0 HE3 LYS A 167 16.566 -3.623 3.945 1.00 1.11 H new ATOM 0 HZ1 LYS A 167 17.768 -1.613 3.376 1.00 0.97 H new ATOM 0 HZ2 LYS A 167 16.117 -1.275 3.585 1.00 0.97 H new ATOM 0 HZ3 LYS A 167 17.230 -0.850 4.794 1.00 0.97 H new ATOM 2652 N GLU A 168 16.180 -6.655 10.057 1.00 0.26 N ATOM 2653 CA GLU A 168 16.878 -7.046 11.281 1.00 0.29 C ATOM 2654 C GLU A 168 16.818 -8.560 11.493 1.00 0.33 C ATOM 2655 O GLU A 168 17.337 -9.078 12.484 1.00 0.47 O ATOM 2656 CB GLU A 168 16.279 -6.332 12.499 1.00 0.35 C ATOM 2657 CG GLU A 168 14.841 -6.724 12.788 1.00 0.42 C ATOM 2658 CD GLU A 168 14.434 -6.430 14.212 1.00 0.63 C ATOM 2659 OE1 GLU A 168 14.191 -7.391 14.969 1.00 0.94 O ATOM 2660 OE2 GLU A 168 14.357 -5.238 14.581 1.00 1.12 O ATOM 0 H GLU A 168 15.207 -6.383 10.195 1.00 0.26 H new ATOM 0 HA GLU A 168 17.921 -6.751 11.171 1.00 0.29 H new ATOM 0 HB2 GLU A 168 16.890 -6.552 13.375 1.00 0.35 H new ATOM 0 HB3 GLU A 168 16.328 -5.255 12.338 1.00 0.35 H new ATOM 0 HG2 GLU A 168 14.179 -6.189 12.107 1.00 0.42 H new ATOM 0 HG3 GLU A 168 14.711 -7.788 12.589 1.00 0.42 H new ATOM 2667 N LYS A 169 16.190 -9.266 10.562 1.00 0.34 N ATOM 2668 CA LYS A 169 16.061 -10.712 10.660 1.00 0.41 C ATOM 2669 C LYS A 169 17.302 -11.399 10.105 1.00 0.59 C ATOM 2670 O LYS A 169 17.435 -11.484 8.866 1.00 0.72 O ATOM 2671 CB LYS A 169 14.818 -11.187 9.907 1.00 0.43 C ATOM 2672 CG LYS A 169 13.967 -12.162 10.703 1.00 0.69 C ATOM 2673 CD LYS A 169 12.579 -12.315 10.104 1.00 0.81 C ATOM 2674 CE LYS A 169 11.652 -13.094 11.027 1.00 1.07 C ATOM 2675 NZ LYS A 169 11.685 -12.580 12.424 1.00 1.47 N ATOM 2676 OXT LYS A 169 18.139 -11.858 10.914 1.00 0.82 O ATOM 0 H LYS A 169 15.762 -8.860 9.730 1.00 0.34 H new ATOM 0 HA LYS A 169 15.958 -10.976 11.712 1.00 0.41 H new ATOM 0 HB2 LYS A 169 14.212 -10.322 9.639 1.00 0.43 H new ATOM 0 HB3 LYS A 169 15.126 -11.661 8.975 1.00 0.43 H new ATOM 0 HG2 LYS A 169 14.459 -13.134 10.734 1.00 0.69 H new ATOM 0 HG3 LYS A 169 13.883 -11.815 11.733 1.00 0.69 H new ATOM 0 HD2 LYS A 169 12.156 -11.330 9.910 1.00 0.81 H new ATOM 0 HD3 LYS A 169 12.651 -12.826 9.144 1.00 0.81 H new ATOM 0 HE2 LYS A 169 10.632 -13.039 10.646 1.00 1.07 H new ATOM 0 HE3 LYS A 169 11.938 -14.146 11.022 1.00 1.07 H new ATOM 0 HZ1 LYS A 169 10.761 -12.740 12.875 1.00 1.47 H new ATOM 0 HZ2 LYS A 169 12.423 -13.079 12.960 1.00 1.47 H new ATOM 0 HZ3 LYS A 169 11.894 -11.561 12.414 1.00 1.47 H new TER 2690 LYS A 169 HETATM 2691 PB GDP A 201 -6.442 5.065 -7.323 1.00 0.41 P HETATM 2692 O1B GDP A 201 -6.610 5.732 -8.632 1.00 0.45 O HETATM 2693 O2B GDP A 201 -6.900 3.666 -7.166 1.00 0.53 O HETATM 2694 O3B GDP A 201 -4.884 5.142 -6.930 1.00 0.37 O HETATM 2695 O3A GDP A 201 -7.121 5.963 -6.174 1.00 0.46 O HETATM 2696 PA GDP A 201 -7.368 7.539 -6.396 1.00 0.42 P HETATM 2697 O1A GDP A 201 -7.245 7.846 -7.838 1.00 0.42 O HETATM 2698 O2A GDP A 201 -6.500 8.264 -5.438 1.00 0.45 O HETATM 2699 O5' GDP A 201 -8.905 7.713 -5.948 1.00 0.44 O HETATM 2700 C5' GDP A 201 -9.951 7.362 -6.860 1.00 0.50 C HETATM 2701 C4' GDP A 201 -11.313 7.720 -6.260 1.00 0.48 C HETATM 2702 O4' GDP A 201 -11.440 7.068 -4.982 1.00 0.46 O HETATM 2703 C3' GDP A 201 -11.397 9.212 -5.982 1.00 0.43 C HETATM 2704 O3' GDP A 201 -12.761 9.654 -6.055 1.00 0.47 O HETATM 2705 C2' GDP A 201 -10.898 9.271 -4.552 1.00 0.34 C HETATM 2706 O2' GDP A 201 -11.288 10.497 -3.920 1.00 0.33 O HETATM 2707 C1' GDP A 201 -11.704 8.101 -4.017 1.00 0.36 C HETATM 2708 N9 GDP A 201 -11.310 7.710 -2.644 1.00 0.31 N HETATM 2709 C8 GDP A 201 -10.088 7.381 -2.245 1.00 0.29 C HETATM 2710 N7 GDP A 201 -10.166 7.014 -0.971 1.00 0.28 N HETATM 2711 C5 GDP A 201 -11.433 7.125 -0.579 1.00 0.28 C HETATM 2712 C6 GDP A 201 -12.017 6.871 0.590 1.00 0.31 C HETATM 2713 O6 GDP A 201 -11.360 6.469 1.547 1.00 0.34 O HETATM 2714 N1 GDP A 201 -13.395 7.063 0.728 1.00 0.38 N HETATM 2715 C2 GDP A 201 -14.118 7.519 -0.377 1.00 0.42 C HETATM 2716 N2 GDP A 201 -15.433 7.705 -0.301 1.00 0.54 N HETATM 2717 N3 GDP A 201 -13.467 7.762 -1.525 1.00 0.38 N HETATM 2718 C4 GDP A 201 -12.144 7.562 -1.617 1.00 0.31 C HETATM 0 HO3' GDP A 201 -12.786 10.593 -6.333 1.00 0.47 H new HETATM 0 HO2' GDP A 201 -11.212 10.402 -2.948 1.00 0.33 H new HETATM 0 HN22 GDP A 201 -15.949 8.038 -1.115 1.00 0.54 H new HETATM 0 HN21 GDP A 201 -15.925 7.514 0.572 1.00 0.54 H new HETATM 0 H5'' GDP A 201 -9.812 7.887 -7.805 1.00 0.50 H new HETATM 0 HN1 GDP A 201 -13.862 6.874 1.615 1.00 0.38 H new HETATM 0 H8 GDP A 201 -9.184 7.407 -2.853 1.00 0.29 H new HETATM 0 H5' GDP A 201 -9.910 6.295 -7.079 1.00 0.50 H new HETATM 0 H4' GDP A 201 -12.087 7.414 -6.964 1.00 0.48 H new HETATM 0 H3' GDP A 201 -10.840 9.837 -6.681 1.00 0.43 H new HETATM 0 H2' GDP A 201 -9.818 9.227 -4.409 1.00 0.34 H new HETATM 0 H1' GDP A 201 -12.765 8.330 -3.913 1.00 0.36 H new HETATM 2731 MG MG A 202 -2.400 6.510 -7.897 1.00 0.45 MG HETATM 2732 C5 QPD A 203 10.249 0.941 -5.273 1.00 0.58 C HETATM 2733 O2 QPD A 203 12.256 5.625 -13.721 1.00 1.67 O HETATM 2734 C16 QPD A 203 7.480 4.082 -12.038 1.00 1.69 C HETATM 2735 C14 QPD A 203 9.882 4.192 -12.198 1.00 0.73 C HETATM 2736 C8 QPD A 203 11.091 3.520 -8.652 1.00 0.50 C HETATM 2737 C4 QPD A 203 10.464 1.584 -6.485 1.00 0.55 C HETATM 2738 N1 QPD A 203 9.392 4.806 -6.056 1.00 0.28 N HETATM 2739 C3 QPD A 203 10.191 3.672 -7.685 1.00 0.44 C HETATM 2740 O1 QPD A 203 12.087 2.822 -8.483 1.00 0.68 O HETATM 2741 C2 QPD A 203 9.720 4.866 -7.342 1.00 0.36 C HETATM 2742 C7 QPD A 203 9.414 3.012 -4.429 1.00 0.37 C HETATM 2743 C12 QPD A 203 12.098 4.701 -12.923 1.00 1.47 C HETATM 2744 C18 QPD A 203 8.715 2.206 -12.906 1.00 1.59 C HETATM 2745 C6 QPD A 203 9.708 1.670 -4.223 1.00 0.50 C HETATM 2746 C11 QPD A 203 11.066 4.798 -11.800 1.00 0.91 C HETATM 2747 C15 QPD A 203 8.668 4.785 -11.869 1.00 1.28 C HETATM 2748 C17 QPD A 203 7.503 2.793 -12.558 1.00 1.84 C HETATM 2749 C19 QPD A 203 9.903 2.905 -12.722 1.00 0.95 C HETATM 2750 C4A QPD A 203 10.148 2.871 -6.625 1.00 0.40 C HETATM 2751 C7A QPD A 203 9.640 3.575 -5.613 1.00 0.29 C HETATM 2752 N9 QPD A 203 10.858 4.245 -9.755 1.00 0.60 N HETATM 2753 N10 QPD A 203 11.594 4.146 -10.593 1.00 0.74 N HETATM 2754 N13 QPD A 203 12.835 3.591 -12.912 1.00 2.26 N