USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 ASN : amide:sc= -6.48! C(o=-8.9!,f=-6.6!) USER MOD Set 1.2: A 144 HIS : no HD1:sc= -2.41 K(o=-8.9,f=-9.5!) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 140:sc= 0.195 USER MOD Set 3.1: A 109 SER OG : rot -82:sc= 1.26 USER MOD Set 3.2: A 164 ASN : amide:sc= -0.155 K(o=1.1,f=-0.88!) USER MOD Set 4.1: A 95 LYS NZ :NH3+ -158:sc= 2.14 (180deg=-0.71) USER MOD Set 4.2: A 175 SER OG : rot -110:sc= 1.03 USER MOD Single : A 92 SER OG : rot -11:sc= 0.795 USER MOD Single : A 96 SER OG : rot 68:sc= 1.29 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.252 X(o=0.25,f=0) USER MOD Single : A 108 LYS NZ :NH3+ -169:sc= -0.0099 (180deg=-0.124) USER MOD Single : A 112 ASN : amide:sc= -0.255 K(o=-0.26,f=-3.4!) USER MOD Single : A 113 LYS NZ :NH3+ 162:sc= -0.122 (180deg=-0.594) USER MOD Single : A 118 THR OG1 : rot 73:sc= 1.07 USER MOD Single : A 124 ASN : amide:sc= 1.14 K(o=1.1,f=-0.8) USER MOD Single : A 127 SER OG : rot 129:sc= -1.31 USER MOD Single : A 128 CYS SG : rot 131:sc= -3.77! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot 14:sc= 0.496 USER MOD Single : A 135 ASN : amide:sc= 0.761 K(o=0.76,f=0) USER MOD Single : A 137 SER OG : rot 43:sc= -1.84! USER MOD Single : A 138 LYS NZ :NH3+ -175:sc= 1.1 (180deg=1.08) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 148 GLN : amide:sc= -0.379 K(o=-0.38,f=-0.91) USER MOD Single : A 157 LYS NZ :NH3+ -135:sc= -0.107 (180deg=-0.53) USER MOD Single : A 158 MET CE :methyl -168:sc= -0.38 (180deg=-0.79) USER MOD Single : A 159 ASN : amide:sc= -1.6! C(o=-1.6!,f=-4.7!) USER MOD Single : A 161 MET CE :methyl 144:sc= -0.233 (180deg=-0.692) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 88 18.896 7.789 -15.540 1.00 14.85 N ATOM 2 CA GLY A 88 18.202 8.451 -14.410 1.00 14.52 C ATOM 3 C GLY A 88 18.586 7.840 -13.082 1.00 14.06 C ATOM 4 O GLY A 88 19.285 6.827 -13.043 1.00 14.34 O ATOM 0 HA2 GLY A 88 18.446 9.513 -14.406 1.00 14.52 H new ATOM 0 HA3 GLY A 88 17.124 8.372 -14.549 1.00 14.52 H new ATOM 10 N ALA A 89 18.132 8.446 -11.996 1.00 13.50 N ATOM 11 CA ALA A 89 18.414 7.933 -10.665 1.00 13.18 C ATOM 12 C ALA A 89 17.370 6.895 -10.265 1.00 12.18 C ATOM 13 O ALA A 89 16.305 6.813 -10.879 1.00 12.38 O ATOM 14 CB ALA A 89 18.447 9.070 -9.655 1.00 13.38 C ATOM 0 H ALA A 89 17.566 9.295 -12.011 1.00 13.50 H new ATOM 0 HA ALA A 89 19.393 7.453 -10.677 1.00 13.18 H new ATOM 0 HB1 ALA A 89 18.659 8.670 -8.664 1.00 13.38 H new ATOM 0 HB2 ALA A 89 19.225 9.781 -9.933 1.00 13.38 H new ATOM 0 HB3 ALA A 89 17.481 9.575 -9.643 1.00 13.38 H new ATOM 20 N ASP A 90 17.668 6.108 -9.242 1.00 11.25 N ATOM 21 CA ASP A 90 16.746 5.079 -8.778 1.00 10.32 C ATOM 22 C ASP A 90 16.538 5.186 -7.279 1.00 10.04 C ATOM 23 O ASP A 90 17.409 4.806 -6.498 1.00 9.96 O ATOM 24 CB ASP A 90 17.241 3.666 -9.124 1.00 9.53 C ATOM 25 CG ASP A 90 16.985 3.279 -10.566 1.00 9.74 C ATOM 26 OD1 ASP A 90 15.827 2.967 -10.911 1.00 9.92 O ATOM 27 OD2 ASP A 90 17.946 3.290 -11.367 1.00 9.91 O ATOM 0 H ASP A 90 18.541 6.161 -8.717 1.00 11.25 H new ATOM 0 HA ASP A 90 15.799 5.245 -9.293 1.00 10.32 H new ATOM 0 HB2 ASP A 90 18.310 3.603 -8.922 1.00 9.53 H new ATOM 0 HB3 ASP A 90 16.750 2.946 -8.469 1.00 9.53 H new ATOM 32 N PRO A 91 15.389 5.724 -6.849 1.00 10.16 N ATOM 33 CA PRO A 91 15.048 5.788 -5.429 1.00 10.16 C ATOM 34 C PRO A 91 14.876 4.389 -4.845 1.00 9.18 C ATOM 35 O PRO A 91 15.117 4.156 -3.661 1.00 9.15 O ATOM 36 CB PRO A 91 13.726 6.566 -5.388 1.00 10.77 C ATOM 37 CG PRO A 91 13.180 6.523 -6.778 1.00 11.14 C ATOM 38 CD PRO A 91 14.350 6.322 -7.706 1.00 10.63 C ATOM 0 HA PRO A 91 15.829 6.266 -4.837 1.00 10.16 H new ATOM 0 HB2 PRO A 91 13.030 6.115 -4.681 1.00 10.77 H new ATOM 0 HB3 PRO A 91 13.888 7.594 -5.064 1.00 10.77 H new ATOM 0 HG2 PRO A 91 12.460 5.712 -6.884 1.00 11.14 H new ATOM 0 HG3 PRO A 91 12.655 7.448 -7.015 1.00 11.14 H new ATOM 0 HD2 PRO A 91 14.092 5.665 -8.537 1.00 10.63 H new ATOM 0 HD3 PRO A 91 14.683 7.266 -8.137 1.00 10.63 H new ATOM 46 N SER A 92 14.516 3.452 -5.712 1.00 8.61 N ATOM 47 CA SER A 92 14.298 2.073 -5.318 1.00 7.83 C ATOM 48 C SER A 92 15.583 1.258 -5.473 1.00 6.91 C ATOM 49 O SER A 92 15.544 0.042 -5.652 1.00 6.95 O ATOM 50 CB SER A 92 13.180 1.473 -6.167 1.00 8.48 C ATOM 51 OG SER A 92 12.019 2.287 -6.113 1.00 9.30 O ATOM 0 H SER A 92 14.368 3.629 -6.706 1.00 8.61 H new ATOM 0 HA SER A 92 14.006 2.045 -4.268 1.00 7.83 H new ATOM 0 HB2 SER A 92 13.514 1.374 -7.200 1.00 8.48 H new ATOM 0 HB3 SER A 92 12.944 0.470 -5.811 1.00 8.48 H new ATOM 0 HG SER A 92 12.122 2.957 -5.405 1.00 9.30 H new ATOM 57 N LEU A 93 16.720 1.941 -5.388 1.00 6.42 N ATOM 58 CA LEU A 93 18.021 1.279 -5.441 1.00 5.85 C ATOM 59 C LEU A 93 18.208 0.474 -4.156 1.00 4.94 C ATOM 60 O LEU A 93 18.904 -0.542 -4.124 1.00 5.05 O ATOM 61 CB LEU A 93 19.143 2.323 -5.627 1.00 6.31 C ATOM 62 CG LEU A 93 20.503 1.795 -6.108 1.00 7.36 C ATOM 63 CD1 LEU A 93 21.341 2.948 -6.664 1.00 7.82 C ATOM 64 CD2 LEU A 93 21.264 1.125 -4.976 1.00 7.89 C ATOM 0 H LEU A 93 16.768 2.954 -5.282 1.00 6.42 H new ATOM 0 HA LEU A 93 18.068 0.601 -6.293 1.00 5.85 H new ATOM 0 HB2 LEU A 93 18.797 3.071 -6.340 1.00 6.31 H new ATOM 0 HB3 LEU A 93 19.293 2.834 -4.676 1.00 6.31 H new ATOM 0 HG LEU A 93 20.320 1.057 -6.889 1.00 7.36 H new ATOM 0 HD11 LEU A 93 22.304 2.567 -7.003 1.00 7.82 H new ATOM 0 HD12 LEU A 93 20.817 3.408 -7.502 1.00 7.82 H new ATOM 0 HD13 LEU A 93 21.500 3.692 -5.883 1.00 7.82 H new ATOM 0 HD21 LEU A 93 22.222 0.761 -5.347 1.00 7.89 H new ATOM 0 HD22 LEU A 93 21.434 1.845 -4.176 1.00 7.89 H new ATOM 0 HD23 LEU A 93 20.682 0.287 -4.592 1.00 7.89 H new ATOM 76 N ARG A 94 17.549 0.928 -3.101 1.00 4.45 N ATOM 77 CA ARG A 94 17.541 0.224 -1.829 1.00 3.96 C ATOM 78 C ARG A 94 16.095 0.001 -1.393 1.00 3.05 C ATOM 79 O ARG A 94 15.172 0.393 -2.108 1.00 3.26 O ATOM 80 CB ARG A 94 18.310 1.006 -0.751 1.00 4.35 C ATOM 81 CG ARG A 94 17.608 2.264 -0.237 1.00 5.15 C ATOM 82 CD ARG A 94 17.461 3.334 -1.310 1.00 5.75 C ATOM 83 NE ARG A 94 18.748 3.705 -1.899 1.00 6.33 N ATOM 84 CZ ARG A 94 18.901 4.669 -2.805 1.00 7.04 C ATOM 85 NH1 ARG A 94 17.850 5.360 -3.231 1.00 7.28 N ATOM 86 NH2 ARG A 94 20.108 4.938 -3.283 1.00 7.78 N ATOM 0 H ARG A 94 17.007 1.792 -3.103 1.00 4.45 H new ATOM 0 HA ARG A 94 18.042 -0.736 -1.956 1.00 3.96 H new ATOM 0 HB2 ARG A 94 18.497 0.342 0.093 1.00 4.35 H new ATOM 0 HB3 ARG A 94 19.282 1.290 -1.154 1.00 4.35 H new ATOM 0 HG2 ARG A 94 16.621 1.996 0.141 1.00 5.15 H new ATOM 0 HG3 ARG A 94 18.171 2.672 0.603 1.00 5.15 H new ATOM 0 HD2 ARG A 94 16.795 2.972 -2.094 1.00 5.75 H new ATOM 0 HD3 ARG A 94 16.993 4.218 -0.878 1.00 5.75 H new ATOM 0 HE ARG A 94 19.578 3.195 -1.598 1.00 6.33 H new ATOM 0 HH11 ARG A 94 16.921 5.153 -2.864 1.00 7.28 H new ATOM 0 HH12 ARG A 94 17.972 6.098 -3.925 1.00 7.28 H new ATOM 0 HH21 ARG A 94 20.916 4.407 -2.957 1.00 7.78 H new ATOM 0 HH22 ARG A 94 20.229 5.676 -3.977 1.00 7.78 H new ATOM 100 N LYS A 95 15.888 -0.607 -0.230 1.00 2.37 N ATOM 101 CA LYS A 95 14.541 -0.857 0.251 1.00 1.60 C ATOM 102 C LYS A 95 14.466 -0.748 1.769 1.00 1.26 C ATOM 103 O LYS A 95 14.345 -1.760 2.463 1.00 1.52 O ATOM 104 CB LYS A 95 14.051 -2.243 -0.198 1.00 1.56 C ATOM 105 CG LYS A 95 13.105 -2.213 -1.391 1.00 1.15 C ATOM 106 CD LYS A 95 11.660 -1.959 -0.969 1.00 1.36 C ATOM 107 CE LYS A 95 10.817 -1.479 -2.139 1.00 1.24 C ATOM 108 NZ LYS A 95 11.398 -0.266 -2.775 1.00 1.91 N ATOM 0 H LYS A 95 16.630 -0.932 0.390 1.00 2.37 H new ATOM 0 HA LYS A 95 13.893 -0.095 -0.181 1.00 1.60 H new ATOM 0 HB2 LYS A 95 14.915 -2.858 -0.449 1.00 1.56 H new ATOM 0 HB3 LYS A 95 13.548 -2.727 0.639 1.00 1.56 H new ATOM 0 HG2 LYS A 95 13.422 -1.435 -2.085 1.00 1.15 H new ATOM 0 HG3 LYS A 95 13.165 -3.161 -1.925 1.00 1.15 H new ATOM 0 HD2 LYS A 95 11.232 -2.875 -0.562 1.00 1.36 H new ATOM 0 HD3 LYS A 95 11.637 -1.215 -0.173 1.00 1.36 H new ATOM 0 HE2 LYS A 95 10.736 -2.275 -2.880 1.00 1.24 H new ATOM 0 HE3 LYS A 95 9.806 -1.260 -1.794 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 10.655 0.244 -3.294 1.00 1.91 H new ATOM 0 HZ2 LYS A 95 11.795 0.355 -2.041 1.00 1.91 H new ATOM 0 HZ3 LYS A 95 12.151 -0.547 -3.435 1.00 1.91 H new ATOM 122 N SER A 96 14.585 0.467 2.292 1.00 1.02 N ATOM 123 CA SER A 96 14.348 0.700 3.700 1.00 0.93 C ATOM 124 C SER A 96 12.845 0.646 3.980 1.00 0.89 C ATOM 125 O SER A 96 12.044 0.500 3.050 1.00 1.75 O ATOM 126 CB SER A 96 14.945 2.044 4.102 1.00 1.13 C ATOM 127 OG SER A 96 14.709 3.016 3.098 1.00 1.79 O ATOM 0 H SER A 96 14.843 1.298 1.760 1.00 1.02 H new ATOM 0 HA SER A 96 14.831 -0.075 4.295 1.00 0.93 H new ATOM 0 HB2 SER A 96 14.509 2.374 5.045 1.00 1.13 H new ATOM 0 HB3 SER A 96 16.017 1.937 4.267 1.00 1.13 H new ATOM 0 HG SER A 96 13.750 3.213 3.052 1.00 1.79 H new ATOM 133 N GLY A 97 12.451 0.736 5.244 1.00 0.44 N ATOM 134 CA GLY A 97 11.055 0.552 5.588 1.00 0.29 C ATOM 135 C GLY A 97 10.706 -0.924 5.657 1.00 0.27 C ATOM 136 O GLY A 97 10.105 -1.378 6.629 1.00 0.36 O ATOM 0 H GLY A 97 13.068 0.932 6.032 1.00 0.44 H new ATOM 0 HA2 GLY A 97 10.847 1.025 6.548 1.00 0.29 H new ATOM 0 HA3 GLY A 97 10.425 1.045 4.847 1.00 0.29 H new ATOM 140 N VAL A 98 11.112 -1.660 4.615 1.00 0.29 N ATOM 141 CA VAL A 98 10.859 -3.097 4.480 1.00 0.33 C ATOM 142 C VAL A 98 9.377 -3.403 4.338 1.00 0.25 C ATOM 143 O VAL A 98 8.549 -2.952 5.127 1.00 0.27 O ATOM 144 CB VAL A 98 11.445 -3.930 5.635 1.00 0.49 C ATOM 145 CG1 VAL A 98 10.927 -5.362 5.575 1.00 0.47 C ATOM 146 CG2 VAL A 98 12.960 -3.922 5.575 1.00 0.71 C ATOM 0 H VAL A 98 11.633 -1.267 3.831 1.00 0.29 H new ATOM 0 HA VAL A 98 11.375 -3.388 3.565 1.00 0.33 H new ATOM 0 HB VAL A 98 11.128 -3.483 6.577 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.351 -5.937 6.398 1.00 0.47 H new ATOM 0 HG12 VAL A 98 9.840 -5.359 5.656 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.219 -5.815 4.628 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.360 -4.515 6.398 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.289 -4.348 4.627 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.322 -2.897 5.657 1.00 0.71 H new ATOM 156 N GLY A 99 9.041 -4.153 3.303 1.00 0.21 N ATOM 157 CA GLY A 99 7.668 -4.550 3.124 1.00 0.20 C ATOM 158 C GLY A 99 6.803 -3.387 2.696 1.00 0.15 C ATOM 159 O GLY A 99 5.596 -3.379 2.924 1.00 0.18 O ATOM 0 H GLY A 99 9.689 -4.490 2.591 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.612 -5.340 2.376 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.285 -4.966 4.056 1.00 0.20 H new ATOM 163 N ASN A 100 7.430 -2.393 2.088 1.00 0.13 N ATOM 164 CA ASN A 100 6.744 -1.155 1.746 1.00 0.14 C ATOM 165 C ASN A 100 6.044 -1.322 0.405 1.00 0.14 C ATOM 166 O ASN A 100 6.683 -1.661 -0.595 1.00 0.19 O ATOM 167 CB ASN A 100 7.777 -0.025 1.661 1.00 0.21 C ATOM 168 CG ASN A 100 8.323 0.388 3.013 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.842 1.491 3.167 1.00 0.63 O ATOM 170 ND2 ASN A 100 8.183 -0.476 4.014 1.00 0.20 N ATOM 0 H ASN A 100 8.414 -2.418 1.820 1.00 0.13 H new ATOM 0 HA ASN A 100 6.002 -0.913 2.507 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.603 -0.344 1.025 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.320 0.841 1.181 1.00 0.21 H new ATOM 0 HD21 ASN A 100 8.512 -0.232 4.948 1.00 0.20 H new ATOM 0 HD22 ASN A 100 7.747 -1.383 3.848 1.00 0.20 H new ATOM 177 N ILE A 101 4.742 -1.084 0.384 1.00 0.12 N ATOM 178 CA ILE A 101 3.975 -1.132 -0.853 1.00 0.13 C ATOM 179 C ILE A 101 3.033 0.057 -0.927 1.00 0.12 C ATOM 180 O ILE A 101 2.720 0.670 0.096 1.00 0.15 O ATOM 181 CB ILE A 101 3.163 -2.445 -0.997 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.111 -2.568 0.108 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.092 -3.649 -0.987 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.307 -3.853 0.049 1.00 0.13 C ATOM 0 H ILE A 101 4.192 -0.855 1.212 1.00 0.12 H new ATOM 0 HA ILE A 101 4.691 -1.096 -1.674 1.00 0.13 H new ATOM 0 HB ILE A 101 2.642 -2.416 -1.954 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.606 -2.505 1.077 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.429 -1.720 0.043 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.505 -4.562 -1.089 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.794 -3.574 -1.818 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.644 -3.675 -0.047 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.583 -3.867 0.864 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.782 -3.910 -0.904 1.00 0.13 H new ATOM 0 HD13 ILE A 101 1.978 -4.707 0.146 1.00 0.13 H new ATOM 196 N PHE A 102 2.582 0.380 -2.125 1.00 0.11 N ATOM 197 CA PHE A 102 1.619 1.450 -2.298 1.00 0.11 C ATOM 198 C PHE A 102 0.395 0.922 -3.039 1.00 0.09 C ATOM 199 O PHE A 102 0.512 0.068 -3.922 1.00 0.11 O ATOM 200 CB PHE A 102 2.263 2.647 -3.022 1.00 0.16 C ATOM 201 CG PHE A 102 1.758 2.902 -4.414 1.00 0.13 C ATOM 202 CD1 PHE A 102 0.631 3.677 -4.623 1.00 0.14 C ATOM 203 CD2 PHE A 102 2.408 2.356 -5.511 1.00 0.17 C ATOM 204 CE1 PHE A 102 0.163 3.907 -5.900 1.00 0.17 C ATOM 205 CE2 PHE A 102 1.947 2.578 -6.790 1.00 0.21 C ATOM 206 CZ PHE A 102 0.829 3.392 -6.983 1.00 0.20 C ATOM 0 H PHE A 102 2.866 -0.082 -2.989 1.00 0.11 H new ATOM 0 HA PHE A 102 1.292 1.808 -1.322 1.00 0.11 H new ATOM 0 HB2 PHE A 102 2.099 3.543 -2.424 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.340 2.486 -3.068 1.00 0.16 H new ATOM 0 HD1 PHE A 102 0.113 4.106 -3.778 1.00 0.14 H new ATOM 0 HD2 PHE A 102 3.288 1.748 -5.360 1.00 0.17 H new ATOM 0 HE1 PHE A 102 -0.731 4.495 -6.048 1.00 0.17 H new ATOM 0 HE2 PHE A 102 2.445 2.127 -7.635 1.00 0.21 H new ATOM 0 HZ PHE A 102 0.489 3.616 -7.983 1.00 0.20 H new ATOM 216 N ILE A 103 -0.770 1.415 -2.653 1.00 0.08 N ATOM 217 CA ILE A 103 -2.029 0.970 -3.229 1.00 0.08 C ATOM 218 C ILE A 103 -2.739 2.130 -3.910 1.00 0.08 C ATOM 219 O ILE A 103 -2.837 3.221 -3.350 1.00 0.15 O ATOM 220 CB ILE A 103 -2.956 0.391 -2.144 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.244 -0.704 -1.358 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.229 -0.160 -2.767 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.571 -0.678 0.112 1.00 0.09 C ATOM 0 H ILE A 103 -0.870 2.132 -1.935 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.802 0.194 -3.960 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.221 1.197 -1.460 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.518 -1.676 -1.769 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.167 -0.595 -1.487 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.871 -0.565 -1.985 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.754 0.640 -3.290 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.976 -0.950 -3.474 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -2.035 -1.481 0.618 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.272 0.281 0.534 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.644 -0.816 0.249 1.00 0.09 H new ATOM 235 N LYS A 104 -3.226 1.891 -5.113 1.00 0.13 N ATOM 236 CA LYS A 104 -3.927 2.913 -5.872 1.00 0.13 C ATOM 237 C LYS A 104 -5.388 2.526 -6.056 1.00 0.12 C ATOM 238 O LYS A 104 -5.711 1.338 -6.104 1.00 0.14 O ATOM 239 CB LYS A 104 -3.291 3.069 -7.250 1.00 0.19 C ATOM 240 CG LYS A 104 -3.421 4.467 -7.834 1.00 0.28 C ATOM 241 CD LYS A 104 -2.768 4.588 -9.208 1.00 0.39 C ATOM 242 CE LYS A 104 -3.570 3.888 -10.302 1.00 0.66 C ATOM 243 NZ LYS A 104 -2.999 4.134 -11.650 1.00 1.46 N ATOM 0 H LYS A 104 -3.149 0.992 -5.589 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.861 3.851 -5.321 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.234 2.811 -7.183 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.751 2.356 -7.934 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.476 4.728 -7.912 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -2.964 5.186 -7.153 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.657 5.642 -9.462 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.765 4.162 -9.169 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -3.591 2.816 -10.107 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -4.602 4.237 -10.276 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -3.572 3.642 -12.365 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -3.002 5.155 -11.847 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -2.023 3.778 -11.684 1.00 1.46 H new ATOM 257 N ASN A 105 -6.252 3.533 -6.150 1.00 0.12 N ATOM 258 CA ASN A 105 -7.650 3.343 -6.541 1.00 0.13 C ATOM 259 C ASN A 105 -8.437 2.578 -5.471 1.00 0.15 C ATOM 260 O ASN A 105 -9.068 1.556 -5.745 1.00 0.25 O ATOM 261 CB ASN A 105 -7.715 2.625 -7.895 1.00 0.16 C ATOM 262 CG ASN A 105 -9.034 2.840 -8.612 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.213 3.826 -9.329 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.951 1.905 -8.456 1.00 0.34 N ATOM 0 H ASN A 105 -6.005 4.504 -5.958 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.117 4.323 -6.638 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -6.901 2.978 -8.528 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.560 1.557 -7.742 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.847 1.983 -8.938 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.765 1.103 -7.853 1.00 0.34 H new ATOM 271 N LEU A 106 -8.397 3.095 -4.251 1.00 0.14 N ATOM 272 CA LEU A 106 -9.129 2.516 -3.129 1.00 0.17 C ATOM 273 C LEU A 106 -10.525 3.108 -3.017 1.00 0.22 C ATOM 274 O LEU A 106 -10.799 4.186 -3.548 1.00 0.26 O ATOM 275 CB LEU A 106 -8.366 2.752 -1.826 1.00 0.16 C ATOM 276 CG LEU A 106 -7.213 1.784 -1.569 1.00 0.14 C ATOM 277 CD1 LEU A 106 -6.173 2.416 -0.667 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.737 0.508 -0.934 1.00 0.16 C ATOM 0 H LEU A 106 -7.858 3.926 -4.009 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.223 1.445 -3.308 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.973 3.769 -1.832 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -9.068 2.686 -0.995 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.746 1.546 -2.524 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.361 1.709 -0.497 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.779 3.315 -1.141 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.630 2.679 0.287 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -6.908 -0.176 -0.754 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.223 0.745 0.012 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.457 0.038 -1.604 1.00 0.16 H new ATOM 290 N ASP A 107 -11.406 2.389 -2.335 1.00 0.27 N ATOM 291 CA ASP A 107 -12.755 2.871 -2.086 1.00 0.32 C ATOM 292 C ASP A 107 -12.741 3.892 -0.964 1.00 0.30 C ATOM 293 O ASP A 107 -11.890 3.846 -0.075 1.00 0.26 O ATOM 294 CB ASP A 107 -13.693 1.712 -1.744 1.00 0.37 C ATOM 295 CG ASP A 107 -15.142 2.149 -1.653 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.543 2.662 -0.592 1.00 0.71 O ATOM 297 OD2 ASP A 107 -15.887 1.977 -2.640 1.00 0.62 O ATOM 0 H ASP A 107 -11.209 1.468 -1.944 1.00 0.27 H new ATOM 0 HA ASP A 107 -13.126 3.348 -2.993 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.598 0.935 -2.502 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.389 1.270 -0.795 1.00 0.37 H new ATOM 302 N LYS A 108 -13.689 4.811 -1.016 1.00 0.38 N ATOM 303 CA LYS A 108 -13.760 5.909 -0.068 1.00 0.43 C ATOM 304 C LYS A 108 -14.001 5.409 1.359 1.00 0.36 C ATOM 305 O LYS A 108 -13.540 6.015 2.323 1.00 0.46 O ATOM 306 CB LYS A 108 -14.875 6.872 -0.476 1.00 0.55 C ATOM 307 CG LYS A 108 -16.262 6.339 -0.187 1.00 0.57 C ATOM 308 CD LYS A 108 -17.328 7.328 -0.603 1.00 0.90 C ATOM 309 CE LYS A 108 -18.730 6.818 -0.296 1.00 1.21 C ATOM 310 NZ LYS A 108 -19.052 5.577 -1.046 1.00 2.20 N ATOM 0 H LYS A 108 -14.431 4.817 -1.716 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.801 6.427 -0.082 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.740 7.817 0.050 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.790 7.085 -1.542 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -16.410 5.398 -0.716 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -16.357 6.125 0.877 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -17.165 8.275 -0.087 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -17.241 7.528 -1.671 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.820 6.628 0.774 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -19.458 7.590 -0.544 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -20.067 5.370 -0.954 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -18.814 5.707 -2.050 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -18.500 4.785 -0.659 1.00 2.20 H new ATOM 324 N SER A 109 -14.723 4.304 1.485 1.00 0.31 N ATOM 325 CA SER A 109 -15.058 3.755 2.794 1.00 0.40 C ATOM 326 C SER A 109 -13.869 3.035 3.427 1.00 0.34 C ATOM 327 O SER A 109 -13.942 2.581 4.572 1.00 0.43 O ATOM 328 CB SER A 109 -16.247 2.799 2.679 1.00 0.56 C ATOM 329 OG SER A 109 -15.978 1.755 1.761 1.00 1.41 O ATOM 0 H SER A 109 -15.089 3.769 0.697 1.00 0.31 H new ATOM 0 HA SER A 109 -15.326 4.590 3.441 1.00 0.40 H new ATOM 0 HB2 SER A 109 -16.473 2.377 3.658 1.00 0.56 H new ATOM 0 HB3 SER A 109 -17.131 3.350 2.358 1.00 0.56 H new ATOM 0 HG SER A 109 -16.147 2.070 0.849 1.00 1.41 H new ATOM 335 N ILE A 110 -12.775 2.928 2.687 1.00 0.23 N ATOM 336 CA ILE A 110 -11.593 2.245 3.180 1.00 0.20 C ATOM 337 C ILE A 110 -10.827 3.130 4.162 1.00 0.20 C ATOM 338 O ILE A 110 -10.428 4.247 3.836 1.00 0.26 O ATOM 339 CB ILE A 110 -10.672 1.805 2.018 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.404 0.794 1.123 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.369 1.215 2.545 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.738 -0.509 1.817 1.00 0.23 C ATOM 0 H ILE A 110 -12.684 3.306 1.744 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.924 1.349 3.705 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.421 2.684 1.424 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.326 1.247 0.758 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.786 0.582 0.250 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.741 0.914 1.707 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.846 1.963 3.141 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.588 0.346 3.165 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.253 -1.170 1.121 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.819 -0.986 2.158 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.383 -0.310 2.673 1.00 0.23 H new ATOM 354 N ASP A 111 -10.659 2.624 5.374 1.00 0.17 N ATOM 355 CA ASP A 111 -9.911 3.322 6.411 1.00 0.18 C ATOM 356 C ASP A 111 -8.589 2.604 6.627 1.00 0.14 C ATOM 357 O ASP A 111 -8.311 1.601 5.968 1.00 0.13 O ATOM 358 CB ASP A 111 -10.717 3.349 7.716 1.00 0.23 C ATOM 359 CG ASP A 111 -10.083 4.193 8.807 1.00 1.01 C ATOM 360 OD1 ASP A 111 -10.183 5.433 8.745 1.00 1.23 O ATOM 361 OD2 ASP A 111 -9.473 3.611 9.730 1.00 1.59 O ATOM 0 H ASP A 111 -11.035 1.722 5.667 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.725 4.350 6.102 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.716 3.731 7.508 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.836 2.329 8.081 1.00 0.23 H new ATOM 366 N ASN A 112 -7.795 3.094 7.559 1.00 0.15 N ATOM 367 CA ASN A 112 -6.504 2.493 7.864 1.00 0.13 C ATOM 368 C ASN A 112 -6.734 1.095 8.388 1.00 0.11 C ATOM 369 O ASN A 112 -6.009 0.162 8.055 1.00 0.12 O ATOM 370 CB ASN A 112 -5.745 3.301 8.918 1.00 0.16 C ATOM 371 CG ASN A 112 -5.451 4.731 8.494 1.00 0.19 C ATOM 372 OD1 ASN A 112 -6.147 5.310 7.658 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.433 5.323 9.092 1.00 0.55 N ATOM 0 H ASN A 112 -8.021 3.913 8.124 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.906 2.476 6.953 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.326 3.317 9.840 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.805 2.797 9.143 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.201 6.290 8.866 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -3.878 4.813 9.779 1.00 0.55 H new ATOM 380 N LYS A 113 -7.783 0.962 9.190 1.00 0.12 N ATOM 381 CA LYS A 113 -8.168 -0.304 9.748 1.00 0.12 C ATOM 382 C LYS A 113 -8.503 -1.280 8.651 1.00 0.11 C ATOM 383 O LYS A 113 -8.042 -2.405 8.641 1.00 0.11 O ATOM 384 CB LYS A 113 -9.403 -0.124 10.600 1.00 0.15 C ATOM 385 CG LYS A 113 -9.268 -0.599 12.037 1.00 0.28 C ATOM 386 CD LYS A 113 -8.845 -2.054 12.138 1.00 0.54 C ATOM 387 CE LYS A 113 -7.367 -2.250 11.827 1.00 1.63 C ATOM 388 NZ LYS A 113 -6.492 -1.463 12.736 1.00 2.58 N ATOM 0 H LYS A 113 -8.385 1.738 9.465 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.338 -0.684 10.343 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.671 0.933 10.606 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.229 -0.659 10.133 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.538 0.024 12.554 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.220 -0.466 12.550 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -9.054 -2.422 13.142 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -9.441 -2.652 11.449 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -7.117 -3.308 11.911 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -7.173 -1.957 10.795 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -5.525 -1.844 12.703 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -6.483 -0.468 12.434 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -6.855 -1.526 13.708 1.00 2.58 H new ATOM 402 N ALA A 114 -9.326 -0.813 7.748 1.00 0.11 N ATOM 403 CA ALA A 114 -9.808 -1.603 6.629 1.00 0.12 C ATOM 404 C ALA A 114 -8.664 -2.050 5.731 1.00 0.11 C ATOM 405 O ALA A 114 -8.606 -3.207 5.302 1.00 0.13 O ATOM 406 CB ALA A 114 -10.805 -0.775 5.846 1.00 0.15 C ATOM 0 H ALA A 114 -9.689 0.140 7.764 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.289 -2.504 7.010 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.176 -1.355 5.001 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.639 -0.502 6.493 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.319 0.129 5.479 1.00 0.15 H new ATOM 412 N LEU A 115 -7.753 -1.131 5.457 1.00 0.09 N ATOM 413 CA LEU A 115 -6.580 -1.435 4.658 1.00 0.09 C ATOM 414 C LEU A 115 -5.716 -2.451 5.401 1.00 0.08 C ATOM 415 O LEU A 115 -5.310 -3.469 4.839 1.00 0.09 O ATOM 416 CB LEU A 115 -5.807 -0.137 4.387 1.00 0.10 C ATOM 417 CG LEU A 115 -4.837 -0.157 3.201 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.269 1.228 2.959 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.716 -1.143 3.437 1.00 0.11 C ATOM 0 H LEU A 115 -7.805 -0.164 5.778 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.871 -1.868 3.701 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.529 0.663 4.224 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.244 0.119 5.285 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.391 -0.471 2.317 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.582 1.197 2.113 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -5.081 1.921 2.741 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.735 1.563 3.848 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -3.041 -1.138 2.581 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.166 -0.860 4.334 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.132 -2.142 3.566 1.00 0.11 H new ATOM 431 N TYR A 116 -5.482 -2.190 6.679 1.00 0.08 N ATOM 432 CA TYR A 116 -4.740 -3.109 7.521 1.00 0.09 C ATOM 433 C TYR A 116 -5.438 -4.459 7.585 1.00 0.10 C ATOM 434 O TYR A 116 -4.810 -5.489 7.397 1.00 0.11 O ATOM 435 CB TYR A 116 -4.573 -2.536 8.934 1.00 0.10 C ATOM 436 CG TYR A 116 -3.968 -3.520 9.915 1.00 0.13 C ATOM 437 CD1 TYR A 116 -2.592 -3.658 10.022 1.00 0.19 C ATOM 438 CD2 TYR A 116 -4.772 -4.321 10.721 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.029 -4.561 10.906 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.215 -5.227 11.606 1.00 0.23 C ATOM 441 CZ TYR A 116 -2.843 -5.342 11.694 1.00 0.23 C ATOM 442 OH TYR A 116 -2.279 -6.234 12.581 1.00 0.30 O ATOM 0 H TYR A 116 -5.798 -1.345 7.155 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.752 -3.246 7.082 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -3.942 -1.648 8.886 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.546 -2.216 9.306 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -1.948 -3.049 9.404 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -5.846 -4.234 10.655 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -0.955 -4.653 10.977 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -4.852 -5.842 12.225 1.00 0.23 H new ATOM 0 HH TYR A 116 -2.988 -6.708 13.063 1.00 0.30 H new ATOM 452 N ASP A 117 -6.743 -4.435 7.805 1.00 0.10 N ATOM 453 CA ASP A 117 -7.526 -5.654 7.975 1.00 0.12 C ATOM 454 C ASP A 117 -7.378 -6.568 6.771 1.00 0.12 C ATOM 455 O ASP A 117 -7.274 -7.786 6.911 1.00 0.15 O ATOM 456 CB ASP A 117 -9.001 -5.294 8.163 1.00 0.16 C ATOM 457 CG ASP A 117 -9.882 -6.509 8.363 1.00 0.27 C ATOM 458 OD1 ASP A 117 -9.983 -7.000 9.507 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.468 -6.988 7.369 1.00 0.40 O ATOM 0 H ASP A 117 -7.289 -3.576 7.871 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.157 -6.179 8.856 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.102 -4.633 9.023 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.348 -4.739 7.292 1.00 0.16 H new ATOM 464 N THR A 118 -7.346 -5.974 5.593 1.00 0.11 N ATOM 465 CA THR A 118 -7.254 -6.743 4.371 1.00 0.11 C ATOM 466 C THR A 118 -5.828 -7.256 4.130 1.00 0.10 C ATOM 467 O THR A 118 -5.616 -8.455 3.939 1.00 0.12 O ATOM 468 CB THR A 118 -7.712 -5.897 3.170 1.00 0.13 C ATOM 469 OG1 THR A 118 -8.980 -5.289 3.461 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.839 -6.755 1.924 1.00 0.17 C ATOM 0 H THR A 118 -7.382 -4.964 5.459 1.00 0.11 H new ATOM 0 HA THR A 118 -7.911 -7.606 4.478 1.00 0.11 H new ATOM 0 HB THR A 118 -6.965 -5.125 2.989 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.854 -4.562 4.106 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.164 -6.136 1.088 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.873 -7.203 1.690 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.571 -7.543 2.098 1.00 0.17 H new ATOM 478 N PHE A 119 -4.856 -6.348 4.151 1.00 0.08 N ATOM 479 CA PHE A 119 -3.469 -6.694 3.837 1.00 0.08 C ATOM 480 C PHE A 119 -2.803 -7.510 4.951 1.00 0.08 C ATOM 481 O PHE A 119 -1.909 -8.308 4.686 1.00 0.09 O ATOM 482 CB PHE A 119 -2.659 -5.444 3.481 1.00 0.08 C ATOM 483 CG PHE A 119 -3.086 -4.816 2.174 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.338 -4.225 2.028 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.232 -4.821 1.083 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.716 -3.660 0.829 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.606 -4.255 -0.117 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.893 -3.647 -0.218 1.00 0.09 C ATOM 0 H PHE A 119 -5.002 -5.365 4.382 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.488 -7.339 2.959 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.762 -4.711 4.281 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.603 -5.706 3.424 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.021 -4.209 2.864 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.257 -5.276 1.174 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.698 -3.220 0.737 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -1.937 -4.271 -0.965 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.199 -3.177 -1.141 1.00 0.09 H new ATOM 498 N SER A 120 -3.239 -7.309 6.193 1.00 0.09 N ATOM 499 CA SER A 120 -2.671 -8.019 7.345 1.00 0.09 C ATOM 500 C SER A 120 -2.796 -9.531 7.172 1.00 0.08 C ATOM 501 O SER A 120 -2.003 -10.292 7.724 1.00 0.09 O ATOM 502 CB SER A 120 -3.332 -7.577 8.656 1.00 0.13 C ATOM 503 OG SER A 120 -2.725 -8.202 9.773 1.00 0.19 O ATOM 0 H SER A 120 -3.987 -6.658 6.431 1.00 0.09 H new ATOM 0 HA SER A 120 -1.613 -7.763 7.396 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.257 -6.494 8.757 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.394 -7.822 8.632 1.00 0.13 H new ATOM 0 HG SER A 120 -2.638 -7.554 10.503 1.00 0.19 H new ATOM 509 N ALA A 121 -3.811 -9.960 6.430 1.00 0.09 N ATOM 510 CA ALA A 121 -4.003 -11.375 6.131 1.00 0.11 C ATOM 511 C ALA A 121 -2.766 -11.975 5.456 1.00 0.11 C ATOM 512 O ALA A 121 -2.543 -13.184 5.512 1.00 0.13 O ATOM 513 CB ALA A 121 -5.221 -11.559 5.237 1.00 0.14 C ATOM 0 H ALA A 121 -4.516 -9.346 6.023 1.00 0.09 H new ATOM 0 HA ALA A 121 -4.162 -11.899 7.074 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.356 -12.619 5.019 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -6.106 -11.177 5.745 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -5.074 -11.013 4.305 1.00 0.14 H new ATOM 519 N PHE A 122 -1.956 -11.120 4.834 1.00 0.08 N ATOM 520 CA PHE A 122 -0.754 -11.560 4.135 1.00 0.09 C ATOM 521 C PHE A 122 0.463 -11.498 5.046 1.00 0.10 C ATOM 522 O PHE A 122 1.509 -12.066 4.731 1.00 0.18 O ATOM 523 CB PHE A 122 -0.517 -10.693 2.898 1.00 0.09 C ATOM 524 CG PHE A 122 -1.717 -10.613 2.014 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.142 -11.723 1.307 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.405 -9.425 1.871 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.231 -11.650 0.470 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.501 -9.344 1.037 1.00 0.12 C ATOM 529 CZ PHE A 122 -3.974 -10.475 0.414 1.00 0.13 C ATOM 0 H PHE A 122 -2.114 -10.113 4.801 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.903 -12.595 3.829 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.234 -9.688 3.212 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.321 -11.097 2.331 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.613 -12.658 1.413 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -2.082 -8.551 2.417 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.507 -12.498 -0.139 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.987 -8.393 0.874 1.00 0.12 H new ATOM 0 HZ PHE A 122 -4.915 -10.451 -0.115 1.00 0.13 H new ATOM 539 N GLY A 123 0.322 -10.815 6.173 1.00 0.09 N ATOM 540 CA GLY A 123 1.421 -10.681 7.100 1.00 0.10 C ATOM 541 C GLY A 123 1.233 -9.510 8.043 1.00 0.09 C ATOM 542 O GLY A 123 0.342 -8.682 7.849 1.00 0.11 O ATOM 0 H GLY A 123 -0.539 -10.350 6.461 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.520 -11.599 7.679 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.350 -10.553 6.544 1.00 0.10 H new ATOM 546 N ASN A 124 2.072 -9.445 9.064 1.00 0.13 N ATOM 547 CA ASN A 124 2.015 -8.368 10.045 1.00 0.14 C ATOM 548 C ASN A 124 2.377 -7.037 9.399 1.00 0.11 C ATOM 549 O ASN A 124 3.306 -6.956 8.595 1.00 0.14 O ATOM 550 CB ASN A 124 2.967 -8.663 11.208 1.00 0.18 C ATOM 551 CG ASN A 124 2.913 -7.610 12.301 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.871 -7.001 12.544 1.00 0.24 O ATOM 553 ND2 ASN A 124 4.031 -7.404 12.974 1.00 0.25 N ATOM 0 H ASN A 124 2.807 -10.130 9.238 1.00 0.13 H new ATOM 0 HA ASN A 124 0.997 -8.303 10.428 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.720 -9.635 11.635 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.986 -8.732 10.828 1.00 0.18 H new ATOM 0 HD21 ASN A 124 4.053 -6.718 13.728 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.872 -7.931 12.739 1.00 0.25 H new ATOM 560 N ILE A 125 1.629 -6.009 9.748 1.00 0.11 N ATOM 561 CA ILE A 125 1.851 -4.670 9.229 1.00 0.10 C ATOM 562 C ILE A 125 2.308 -3.751 10.356 1.00 0.11 C ATOM 563 O ILE A 125 1.706 -3.742 11.431 1.00 0.14 O ATOM 564 CB ILE A 125 0.559 -4.106 8.598 1.00 0.11 C ATOM 565 CG1 ILE A 125 0.099 -4.994 7.439 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.758 -2.671 8.128 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.210 -4.556 6.818 1.00 0.11 C ATOM 0 H ILE A 125 0.848 -6.077 10.401 1.00 0.11 H new ATOM 0 HA ILE A 125 2.622 -4.722 8.460 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.217 -4.102 9.363 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.871 -5.001 6.670 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.004 -6.018 7.797 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.168 -2.300 7.688 1.00 0.14 H new ATOM 0 HG22 ILE A 125 1.033 -2.045 8.977 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.552 -2.639 7.382 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.471 -5.233 6.004 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -1.996 -4.576 7.573 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.107 -3.543 6.429 1.00 0.11 H new ATOM 579 N LEU A 126 3.365 -2.984 10.118 1.00 0.13 N ATOM 580 CA LEU A 126 3.893 -2.092 11.144 1.00 0.15 C ATOM 581 C LEU A 126 3.135 -0.779 11.090 1.00 0.16 C ATOM 582 O LEU A 126 2.759 -0.209 12.113 1.00 0.24 O ATOM 583 CB LEU A 126 5.396 -1.796 10.961 1.00 0.19 C ATOM 584 CG LEU A 126 6.342 -2.990 10.738 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.796 -4.274 11.337 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.655 -3.148 9.260 1.00 0.54 C ATOM 0 H LEU A 126 3.870 -2.961 9.232 1.00 0.13 H new ATOM 0 HA LEU A 126 3.767 -2.591 12.105 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.503 -1.121 10.112 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.741 -1.256 11.843 1.00 0.19 H new ATOM 0 HG LEU A 126 7.273 -2.779 11.264 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.498 -5.088 11.154 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.661 -4.146 12.411 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.837 -4.511 10.876 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.325 -3.996 9.119 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.731 -3.320 8.709 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.135 -2.241 8.891 1.00 0.54 H new ATOM 598 N SER A 127 2.906 -0.321 9.871 1.00 0.14 N ATOM 599 CA SER A 127 2.250 0.949 9.627 1.00 0.17 C ATOM 600 C SER A 127 1.466 0.896 8.323 1.00 0.19 C ATOM 601 O SER A 127 2.013 0.545 7.280 1.00 0.37 O ATOM 602 CB SER A 127 3.295 2.065 9.564 1.00 0.19 C ATOM 603 OG SER A 127 3.887 2.289 10.833 1.00 0.76 O ATOM 0 H SER A 127 3.171 -0.821 9.022 1.00 0.14 H new ATOM 0 HA SER A 127 1.556 1.152 10.443 1.00 0.17 H new ATOM 0 HB2 SER A 127 4.068 1.802 8.841 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.828 2.984 9.211 1.00 0.19 H new ATOM 0 HG SER A 127 4.863 2.274 10.746 1.00 0.76 H new ATOM 609 N CYS A 128 0.187 1.207 8.387 1.00 0.18 N ATOM 610 CA CYS A 128 -0.629 1.309 7.191 1.00 0.17 C ATOM 611 C CYS A 128 -1.237 2.699 7.119 1.00 0.16 C ATOM 612 O CYS A 128 -1.450 3.342 8.151 1.00 0.28 O ATOM 613 CB CYS A 128 -1.724 0.241 7.194 1.00 0.21 C ATOM 614 SG CYS A 128 -2.763 0.259 8.673 1.00 0.72 S ATOM 0 H CYS A 128 -0.312 1.394 9.257 1.00 0.18 H new ATOM 0 HA CYS A 128 -0.004 1.144 6.313 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.356 0.380 6.317 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.260 -0.741 7.100 1.00 0.21 H new ATOM 0 HG CYS A 128 -4.015 0.242 8.324 1.00 0.72 H new ATOM 620 N LYS A 129 -1.507 3.174 5.916 1.00 0.13 N ATOM 621 CA LYS A 129 -2.002 4.526 5.750 1.00 0.14 C ATOM 622 C LYS A 129 -3.031 4.616 4.632 1.00 0.12 C ATOM 623 O LYS A 129 -2.802 4.140 3.524 1.00 0.12 O ATOM 624 CB LYS A 129 -0.829 5.476 5.456 1.00 0.18 C ATOM 625 CG LYS A 129 -1.225 6.936 5.263 1.00 0.23 C ATOM 626 CD LYS A 129 -1.632 7.590 6.574 1.00 0.36 C ATOM 627 CE LYS A 129 -2.039 9.046 6.382 1.00 0.47 C ATOM 628 NZ LYS A 129 -2.390 9.686 7.675 1.00 1.00 N ATOM 0 H LYS A 129 -1.393 2.649 5.049 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.492 4.819 6.678 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.114 5.413 6.276 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.316 5.131 4.558 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.390 7.484 4.827 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -2.051 6.998 4.554 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.462 7.036 7.013 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -0.803 7.535 7.280 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -1.222 9.595 5.913 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -2.891 9.101 5.704 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -2.662 10.676 7.510 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -3.185 9.176 8.110 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -1.569 9.655 8.312 1.00 1.00 H new ATOM 642 N VAL A 130 -4.162 5.226 4.945 1.00 0.15 N ATOM 643 CA VAL A 130 -5.140 5.612 3.948 1.00 0.17 C ATOM 644 C VAL A 130 -5.198 7.119 3.955 1.00 0.20 C ATOM 645 O VAL A 130 -5.662 7.733 4.918 1.00 0.24 O ATOM 646 CB VAL A 130 -6.560 5.052 4.204 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.549 5.637 3.195 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.569 3.532 4.133 1.00 0.21 C ATOM 0 H VAL A 130 -4.426 5.467 5.900 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.826 5.198 2.990 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.865 5.345 5.209 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.544 5.235 3.386 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.571 6.722 3.294 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -7.238 5.371 2.185 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.579 3.165 4.317 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -6.241 3.212 3.144 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.894 3.129 4.887 1.00 0.21 H new ATOM 658 N VAL A 131 -4.698 7.711 2.905 1.00 0.21 N ATOM 659 CA VAL A 131 -4.578 9.143 2.845 1.00 0.27 C ATOM 660 C VAL A 131 -5.937 9.750 2.553 1.00 0.33 C ATOM 661 O VAL A 131 -6.618 9.357 1.602 1.00 0.33 O ATOM 662 CB VAL A 131 -3.532 9.531 1.794 1.00 0.28 C ATOM 663 CG1 VAL A 131 -3.121 10.989 1.939 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.329 8.611 1.943 1.00 0.25 C ATOM 0 H VAL A 131 -4.365 7.221 2.075 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.238 9.535 3.803 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.960 9.417 0.798 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.378 11.235 1.180 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -3.995 11.628 1.812 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.695 11.150 2.929 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.575 8.875 1.201 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.909 8.721 2.943 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.640 7.577 1.792 1.00 0.25 H new ATOM 674 N CYS A 132 -6.339 10.689 3.389 1.00 0.43 N ATOM 675 CA CYS A 132 -7.704 11.168 3.385 1.00 0.55 C ATOM 676 C CYS A 132 -7.838 12.443 2.567 1.00 0.58 C ATOM 677 O CYS A 132 -7.004 13.343 2.655 1.00 0.66 O ATOM 678 CB CYS A 132 -8.157 11.408 4.825 1.00 0.75 C ATOM 679 SG CYS A 132 -7.772 10.038 5.943 1.00 1.58 S ATOM 0 H CYS A 132 -5.736 11.135 4.080 1.00 0.43 H new ATOM 0 HA CYS A 132 -8.340 10.413 2.922 1.00 0.55 H new ATOM 0 HB2 CYS A 132 -7.684 12.316 5.200 1.00 0.75 H new ATOM 0 HB3 CYS A 132 -9.233 11.582 4.834 1.00 0.75 H new ATOM 0 HG CYS A 132 -6.929 9.233 5.368 1.00 1.58 H new ATOM 685 N ASP A 133 -8.884 12.500 1.756 1.00 0.59 N ATOM 686 CA ASP A 133 -9.147 13.667 0.938 1.00 0.72 C ATOM 687 C ASP A 133 -9.927 14.671 1.768 1.00 0.93 C ATOM 688 O ASP A 133 -10.441 14.320 2.834 1.00 0.99 O ATOM 689 CB ASP A 133 -9.944 13.295 -0.323 1.00 0.70 C ATOM 690 CG ASP A 133 -10.030 14.431 -1.321 1.00 1.09 C ATOM 691 OD1 ASP A 133 -8.999 14.743 -1.953 1.00 2.08 O ATOM 692 OD2 ASP A 133 -11.129 15.002 -1.485 1.00 1.20 O ATOM 0 H ASP A 133 -9.564 11.748 1.649 1.00 0.59 H new ATOM 0 HA ASP A 133 -8.199 14.097 0.614 1.00 0.72 H new ATOM 0 HB2 ASP A 133 -9.478 12.433 -0.800 1.00 0.70 H new ATOM 0 HB3 ASP A 133 -10.951 12.994 -0.035 1.00 0.70 H new ATOM 697 N GLU A 134 -10.027 15.907 1.303 1.00 1.12 N ATOM 698 CA GLU A 134 -10.872 16.881 1.979 1.00 1.35 C ATOM 699 C GLU A 134 -12.324 16.407 1.940 1.00 1.36 C ATOM 700 O GLU A 134 -13.128 16.744 2.808 1.00 1.52 O ATOM 701 CB GLU A 134 -10.755 18.274 1.347 1.00 1.57 C ATOM 702 CG GLU A 134 -11.410 18.394 -0.019 1.00 1.60 C ATOM 703 CD GLU A 134 -11.711 19.831 -0.384 1.00 1.96 C ATOM 704 OE1 GLU A 134 -12.608 20.427 0.248 1.00 2.45 O ATOM 705 OE2 GLU A 134 -11.056 20.369 -1.299 1.00 2.09 O ATOM 0 H GLU A 134 -9.543 16.256 0.475 1.00 1.12 H new ATOM 0 HA GLU A 134 -10.535 16.963 3.013 1.00 1.35 H new ATOM 0 HB2 GLU A 134 -11.205 19.005 2.019 1.00 1.57 H new ATOM 0 HB3 GLU A 134 -9.700 18.532 1.256 1.00 1.57 H new ATOM 0 HG2 GLU A 134 -10.755 17.959 -0.774 1.00 1.60 H new ATOM 0 HG3 GLU A 134 -12.335 17.817 -0.029 1.00 1.60 H new ATOM 712 N ASN A 135 -12.641 15.603 0.929 1.00 1.25 N ATOM 713 CA ASN A 135 -13.971 15.026 0.787 1.00 1.31 C ATOM 714 C ASN A 135 -14.034 13.647 1.437 1.00 1.25 C ATOM 715 O ASN A 135 -15.052 12.963 1.351 1.00 1.36 O ATOM 716 CB ASN A 135 -14.373 14.911 -0.688 1.00 1.32 C ATOM 717 CG ASN A 135 -14.455 16.252 -1.396 1.00 1.47 C ATOM 718 OD1 ASN A 135 -15.459 16.957 -1.296 1.00 1.65 O ATOM 719 ND2 ASN A 135 -13.416 16.600 -2.141 1.00 1.46 N ATOM 0 H ASN A 135 -11.988 15.336 0.192 1.00 1.25 H new ATOM 0 HA ASN A 135 -14.670 15.694 1.290 1.00 1.31 H new ATOM 0 HB2 ASN A 135 -13.652 14.279 -1.205 1.00 1.32 H new ATOM 0 HB3 ASN A 135 -15.340 14.413 -0.756 1.00 1.32 H new ATOM 0 HD21 ASN A 135 -13.430 17.480 -2.657 1.00 1.46 H new ATOM 0 HD22 ASN A 135 -12.602 15.988 -2.198 1.00 1.46 H new ATOM 726 N GLY A 136 -12.949 13.234 2.084 1.00 1.12 N ATOM 727 CA GLY A 136 -12.933 11.927 2.717 1.00 1.11 C ATOM 728 C GLY A 136 -11.683 11.107 2.427 1.00 0.89 C ATOM 729 O GLY A 136 -10.890 10.847 3.331 1.00 0.86 O ATOM 0 H GLY A 136 -12.089 13.774 2.181 1.00 1.12 H new ATOM 0 HA2 GLY A 136 -13.026 12.057 3.795 1.00 1.11 H new ATOM 0 HA3 GLY A 136 -13.807 11.365 2.387 1.00 1.11 H new ATOM 733 N SER A 137 -11.490 10.707 1.173 1.00 0.77 N ATOM 734 CA SER A 137 -10.433 9.753 0.823 1.00 0.57 C ATOM 735 C SER A 137 -9.712 10.149 -0.469 1.00 0.47 C ATOM 736 O SER A 137 -10.357 10.458 -1.473 1.00 0.53 O ATOM 737 CB SER A 137 -11.072 8.370 0.686 1.00 0.67 C ATOM 738 OG SER A 137 -12.252 8.454 -0.094 1.00 1.61 O ATOM 0 H SER A 137 -12.049 11.026 0.381 1.00 0.77 H new ATOM 0 HA SER A 137 -9.677 9.747 1.609 1.00 0.57 H new ATOM 0 HB2 SER A 137 -10.368 7.680 0.221 1.00 0.67 H new ATOM 0 HB3 SER A 137 -11.306 7.970 1.672 1.00 0.67 H new ATOM 0 HG SER A 137 -12.091 9.030 -0.870 1.00 1.61 H new ATOM 744 N LYS A 138 -8.373 10.148 -0.439 1.00 0.38 N ATOM 745 CA LYS A 138 -7.584 10.584 -1.594 1.00 0.36 C ATOM 746 C LYS A 138 -7.679 9.580 -2.729 1.00 0.34 C ATOM 747 O LYS A 138 -7.710 9.941 -3.906 1.00 0.47 O ATOM 748 CB LYS A 138 -6.110 10.785 -1.236 1.00 0.36 C ATOM 749 CG LYS A 138 -5.837 11.845 -0.178 1.00 0.44 C ATOM 750 CD LYS A 138 -6.096 13.278 -0.634 1.00 0.67 C ATOM 751 CE LYS A 138 -5.730 13.529 -2.090 1.00 0.89 C ATOM 752 NZ LYS A 138 -6.213 14.861 -2.537 1.00 1.51 N ATOM 0 H LYS A 138 -7.819 9.853 0.365 1.00 0.38 H new ATOM 0 HA LYS A 138 -8.002 11.539 -1.911 1.00 0.36 H new ATOM 0 HB2 LYS A 138 -5.705 9.835 -0.888 1.00 0.36 H new ATOM 0 HB3 LYS A 138 -5.566 11.051 -2.142 1.00 0.36 H new ATOM 0 HG2 LYS A 138 -6.457 11.637 0.694 1.00 0.44 H new ATOM 0 HG3 LYS A 138 -4.798 11.761 0.142 1.00 0.44 H new ATOM 0 HD2 LYS A 138 -7.150 13.512 -0.487 1.00 0.67 H new ATOM 0 HD3 LYS A 138 -5.527 13.960 -0.002 1.00 0.67 H new ATOM 0 HE2 LYS A 138 -4.648 13.470 -2.212 1.00 0.89 H new ATOM 0 HE3 LYS A 138 -6.165 12.751 -2.718 1.00 0.89 H new ATOM 0 HZ1 LYS A 138 -6.027 14.974 -3.554 1.00 1.51 H new ATOM 0 HZ2 LYS A 138 -7.235 14.936 -2.362 1.00 1.51 H new ATOM 0 HZ3 LYS A 138 -5.715 15.606 -2.009 1.00 1.51 H new ATOM 766 N GLY A 139 -7.718 8.320 -2.359 1.00 0.27 N ATOM 767 CA GLY A 139 -7.800 7.262 -3.351 1.00 0.26 C ATOM 768 C GLY A 139 -6.646 6.278 -3.292 1.00 0.21 C ATOM 769 O GLY A 139 -6.694 5.229 -3.926 1.00 0.31 O ATOM 0 H GLY A 139 -7.695 8.001 -1.391 1.00 0.27 H new ATOM 0 HA2 GLY A 139 -8.735 6.720 -3.214 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.834 7.710 -4.344 1.00 0.26 H new ATOM 773 N TYR A 140 -5.610 6.604 -2.536 1.00 0.19 N ATOM 774 CA TYR A 140 -4.420 5.766 -2.479 1.00 0.15 C ATOM 775 C TYR A 140 -3.981 5.542 -1.037 1.00 0.13 C ATOM 776 O TYR A 140 -4.306 6.333 -0.145 1.00 0.16 O ATOM 777 CB TYR A 140 -3.290 6.387 -3.306 1.00 0.19 C ATOM 778 CG TYR A 140 -3.051 7.856 -3.034 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.766 8.834 -3.712 1.00 0.26 C ATOM 780 CD2 TYR A 140 -2.120 8.263 -2.084 1.00 0.31 C ATOM 781 CE1 TYR A 140 -3.559 10.174 -3.456 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.911 9.600 -1.820 1.00 0.39 C ATOM 783 CZ TYR A 140 -2.591 10.554 -2.559 1.00 0.41 C ATOM 784 OH TYR A 140 -2.428 11.887 -2.250 1.00 0.49 O ATOM 0 H TYR A 140 -5.567 7.441 -1.954 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.663 4.794 -2.907 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -2.369 5.839 -3.109 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -3.518 6.258 -4.364 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.496 8.541 -4.452 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -1.552 7.520 -1.545 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -4.156 10.921 -3.959 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -1.223 9.901 -1.044 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.702 11.986 -1.599 1.00 0.49 H new ATOM 794 N GLY A 141 -3.250 4.458 -0.816 1.00 0.11 N ATOM 795 CA GLY A 141 -2.810 4.106 0.520 1.00 0.11 C ATOM 796 C GLY A 141 -1.475 3.391 0.508 1.00 0.10 C ATOM 797 O GLY A 141 -0.923 3.127 -0.560 1.00 0.12 O ATOM 0 H GLY A 141 -2.951 3.811 -1.545 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.732 5.009 1.126 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.558 3.469 0.992 1.00 0.11 H new ATOM 801 N PHE A 142 -0.953 3.074 1.688 1.00 0.10 N ATOM 802 CA PHE A 142 0.371 2.459 1.803 1.00 0.10 C ATOM 803 C PHE A 142 0.389 1.386 2.893 1.00 0.10 C ATOM 804 O PHE A 142 -0.284 1.525 3.917 1.00 0.14 O ATOM 805 CB PHE A 142 1.423 3.526 2.134 1.00 0.12 C ATOM 806 CG PHE A 142 1.414 4.715 1.209 1.00 0.14 C ATOM 807 CD1 PHE A 142 1.904 4.618 -0.087 1.00 0.16 C ATOM 808 CD2 PHE A 142 0.912 5.930 1.639 1.00 0.21 C ATOM 809 CE1 PHE A 142 1.889 5.713 -0.930 1.00 0.19 C ATOM 810 CE2 PHE A 142 0.895 7.027 0.799 1.00 0.25 C ATOM 811 CZ PHE A 142 1.408 6.899 -0.510 1.00 0.22 C ATOM 0 H PHE A 142 -1.423 3.231 2.579 1.00 0.10 H new ATOM 0 HA PHE A 142 0.604 1.993 0.846 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.262 3.873 3.155 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.411 3.066 2.106 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.301 3.677 -0.439 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.528 6.022 2.644 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.267 5.617 -1.937 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.494 7.970 1.140 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.415 7.751 -1.174 1.00 0.22 H new ATOM 821 N VAL A 143 1.140 0.307 2.659 1.00 0.08 N ATOM 822 CA VAL A 143 1.364 -0.711 3.686 1.00 0.08 C ATOM 823 C VAL A 143 2.847 -0.840 4.019 1.00 0.08 C ATOM 824 O VAL A 143 3.695 -0.892 3.127 1.00 0.09 O ATOM 825 CB VAL A 143 0.862 -2.108 3.253 1.00 0.08 C ATOM 826 CG1 VAL A 143 0.988 -3.121 4.389 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.569 -2.043 2.770 1.00 0.10 C ATOM 0 H VAL A 143 1.602 0.117 1.770 1.00 0.08 H new ATOM 0 HA VAL A 143 0.800 -0.378 4.557 1.00 0.08 H new ATOM 0 HB VAL A 143 1.493 -2.439 2.429 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.627 -4.093 4.052 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.033 -3.206 4.687 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.394 -2.789 5.240 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.898 -3.038 2.471 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.208 -1.676 3.573 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.635 -1.368 1.917 1.00 0.10 H new ATOM 837 N HIS A 144 3.151 -0.863 5.305 1.00 0.09 N ATOM 838 CA HIS A 144 4.461 -1.278 5.774 1.00 0.10 C ATOM 839 C HIS A 144 4.357 -2.688 6.331 1.00 0.10 C ATOM 840 O HIS A 144 3.817 -2.882 7.418 1.00 0.11 O ATOM 841 CB HIS A 144 4.958 -0.348 6.881 1.00 0.12 C ATOM 842 CG HIS A 144 5.956 0.663 6.430 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.877 1.235 7.274 1.00 0.18 N ATOM 844 CD2 HIS A 144 6.172 1.204 5.215 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.616 2.092 6.601 1.00 0.21 C ATOM 846 NE2 HIS A 144 7.205 2.102 5.350 1.00 0.21 N ATOM 0 H HIS A 144 2.504 -0.597 6.047 1.00 0.09 H new ATOM 0 HA HIS A 144 5.162 -1.241 4.940 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.103 0.171 7.315 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.401 -0.950 7.674 1.00 0.12 H new ATOM 0 HD2 HIS A 144 5.635 0.976 4.306 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.422 2.686 7.006 1.00 0.21 H new ATOM 0 HE2 HIS A 144 7.590 2.681 4.603 1.00 0.21 H new ATOM 855 N PHE A 145 4.859 -3.665 5.603 1.00 0.10 N ATOM 856 CA PHE A 145 4.815 -5.038 6.073 1.00 0.10 C ATOM 857 C PHE A 145 6.028 -5.362 6.913 1.00 0.13 C ATOM 858 O PHE A 145 7.142 -4.952 6.598 1.00 0.17 O ATOM 859 CB PHE A 145 4.710 -6.028 4.914 1.00 0.10 C ATOM 860 CG PHE A 145 3.304 -6.322 4.491 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.491 -7.135 5.258 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.792 -5.773 3.326 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.195 -7.396 4.871 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.495 -6.031 2.937 1.00 0.10 C ATOM 865 CZ PHE A 145 0.706 -6.887 3.703 1.00 0.10 C ATOM 0 H PHE A 145 5.299 -3.538 4.692 1.00 0.10 H new ATOM 0 HA PHE A 145 3.921 -5.135 6.689 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.260 -5.632 4.060 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.195 -6.961 5.201 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.875 -7.570 6.169 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.416 -5.136 2.716 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.561 -8.008 5.496 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.093 -5.573 2.045 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.289 -7.147 3.373 1.00 0.10 H new ATOM 875 N GLU A 146 5.780 -6.083 7.996 1.00 0.13 N ATOM 876 CA GLU A 146 6.840 -6.534 8.905 1.00 0.17 C ATOM 877 C GLU A 146 7.976 -7.166 8.122 1.00 0.19 C ATOM 878 O GLU A 146 9.154 -6.873 8.340 1.00 0.22 O ATOM 879 CB GLU A 146 6.297 -7.566 9.894 1.00 0.22 C ATOM 880 CG GLU A 146 7.325 -8.018 10.918 1.00 0.30 C ATOM 881 CD GLU A 146 6.886 -9.246 11.681 1.00 0.37 C ATOM 882 OE1 GLU A 146 6.095 -9.105 12.635 1.00 0.38 O ATOM 883 OE2 GLU A 146 7.333 -10.358 11.333 1.00 0.57 O ATOM 0 H GLU A 146 4.843 -6.375 8.275 1.00 0.13 H new ATOM 0 HA GLU A 146 7.206 -5.663 9.448 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.438 -7.143 10.415 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.939 -8.435 9.342 1.00 0.22 H new ATOM 0 HG2 GLU A 146 8.268 -8.227 10.413 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.513 -7.206 11.621 1.00 0.30 H new ATOM 890 N THR A 147 7.597 -8.038 7.215 1.00 0.22 N ATOM 891 CA THR A 147 8.547 -8.744 6.383 1.00 0.26 C ATOM 892 C THR A 147 8.463 -8.261 4.944 1.00 0.23 C ATOM 893 O THR A 147 7.409 -7.816 4.484 1.00 0.21 O ATOM 894 CB THR A 147 8.309 -10.264 6.414 1.00 0.33 C ATOM 895 OG1 THR A 147 7.004 -10.567 5.911 1.00 0.40 O ATOM 896 CG2 THR A 147 8.445 -10.812 7.821 1.00 0.35 C ATOM 0 H THR A 147 6.623 -8.278 7.033 1.00 0.22 H new ATOM 0 HA THR A 147 9.539 -8.536 6.785 1.00 0.26 H new ATOM 0 HB THR A 147 9.065 -10.733 5.784 1.00 0.33 H new ATOM 0 HG1 THR A 147 6.862 -11.536 5.933 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.271 -11.888 7.811 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.449 -10.610 8.195 1.00 0.35 H new ATOM 0 HG23 THR A 147 7.713 -10.333 8.471 1.00 0.35 H new ATOM 904 N GLN A 148 9.575 -8.354 4.237 1.00 0.24 N ATOM 905 CA GLN A 148 9.628 -7.945 2.845 1.00 0.23 C ATOM 906 C GLN A 148 8.789 -8.879 1.975 1.00 0.21 C ATOM 907 O GLN A 148 8.144 -8.439 1.021 1.00 0.21 O ATOM 908 CB GLN A 148 11.085 -7.927 2.366 1.00 0.28 C ATOM 909 CG GLN A 148 11.277 -7.362 0.968 1.00 0.31 C ATOM 910 CD GLN A 148 10.781 -5.937 0.842 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.520 -4.979 1.062 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.520 -5.791 0.494 1.00 0.38 N ATOM 0 H GLN A 148 10.457 -8.711 4.606 1.00 0.24 H new ATOM 0 HA GLN A 148 9.213 -6.941 2.757 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.678 -7.340 3.067 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.476 -8.944 2.391 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.335 -7.399 0.707 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.750 -7.991 0.251 1.00 0.31 H new ATOM 0 HE21 GLN A 148 8.940 -6.612 0.320 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.122 -4.857 0.398 1.00 0.38 H new ATOM 921 N GLU A 149 8.789 -10.162 2.319 1.00 0.22 N ATOM 922 CA GLU A 149 8.094 -11.172 1.528 1.00 0.22 C ATOM 923 C GLU A 149 6.572 -11.040 1.623 1.00 0.18 C ATOM 924 O GLU A 149 5.867 -11.281 0.643 1.00 0.17 O ATOM 925 CB GLU A 149 8.545 -12.574 1.929 1.00 0.28 C ATOM 926 CG GLU A 149 8.090 -12.994 3.300 1.00 0.35 C ATOM 927 CD GLU A 149 8.505 -14.409 3.633 1.00 0.47 C ATOM 928 OE1 GLU A 149 7.939 -15.355 3.047 1.00 0.74 O ATOM 929 OE2 GLU A 149 9.376 -14.585 4.507 1.00 0.62 O ATOM 0 H GLU A 149 9.264 -10.529 3.144 1.00 0.22 H new ATOM 0 HA GLU A 149 8.362 -11.003 0.485 1.00 0.22 H new ATOM 0 HB2 GLU A 149 8.168 -13.289 1.197 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.633 -12.620 1.889 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.504 -12.312 4.043 1.00 0.35 H new ATOM 0 HG3 GLU A 149 7.005 -12.912 3.361 1.00 0.35 H new ATOM 936 N ALA A 150 6.065 -10.652 2.792 1.00 0.17 N ATOM 937 CA ALA A 150 4.624 -10.484 2.974 1.00 0.15 C ATOM 938 C ALA A 150 4.097 -9.394 2.054 1.00 0.13 C ATOM 939 O ALA A 150 2.982 -9.484 1.535 1.00 0.13 O ATOM 940 CB ALA A 150 4.300 -10.158 4.421 1.00 0.18 C ATOM 0 H ALA A 150 6.625 -10.450 3.620 1.00 0.17 H new ATOM 0 HA ALA A 150 4.134 -11.423 2.717 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.223 -10.037 4.534 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.643 -10.970 5.063 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.801 -9.233 4.707 1.00 0.18 H new ATOM 946 N ALA A 151 4.918 -8.375 1.842 1.00 0.13 N ATOM 947 CA ALA A 151 4.575 -7.292 0.939 1.00 0.13 C ATOM 948 C ALA A 151 4.434 -7.811 -0.484 1.00 0.12 C ATOM 949 O ALA A 151 3.493 -7.457 -1.190 1.00 0.13 O ATOM 950 CB ALA A 151 5.630 -6.208 1.007 1.00 0.16 C ATOM 0 H ALA A 151 5.831 -8.278 2.287 1.00 0.13 H new ATOM 0 HA ALA A 151 3.618 -6.869 1.244 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.365 -5.399 0.326 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.689 -5.821 2.024 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.596 -6.622 0.719 1.00 0.16 H new ATOM 956 N GLU A 152 5.368 -8.664 -0.887 1.00 0.13 N ATOM 957 CA GLU A 152 5.335 -9.273 -2.209 1.00 0.14 C ATOM 958 C GLU A 152 4.043 -10.063 -2.408 1.00 0.12 C ATOM 959 O GLU A 152 3.474 -10.066 -3.500 1.00 0.15 O ATOM 960 CB GLU A 152 6.546 -10.191 -2.405 1.00 0.18 C ATOM 961 CG GLU A 152 7.879 -9.505 -2.143 1.00 0.26 C ATOM 962 CD GLU A 152 9.067 -10.362 -2.531 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.497 -11.195 -1.704 1.00 1.42 O ATOM 964 OE2 GLU A 152 9.569 -10.222 -3.665 1.00 0.95 O ATOM 0 H GLU A 152 6.161 -8.950 -0.313 1.00 0.13 H new ATOM 0 HA GLU A 152 5.373 -8.476 -2.951 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.452 -11.050 -1.740 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.539 -10.575 -3.425 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.916 -8.568 -2.699 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.950 -9.251 -1.085 1.00 0.26 H new ATOM 971 N ARG A 153 3.585 -10.731 -1.349 1.00 0.10 N ATOM 972 CA ARG A 153 2.334 -11.481 -1.395 1.00 0.12 C ATOM 973 C ARG A 153 1.147 -10.537 -1.560 1.00 0.11 C ATOM 974 O ARG A 153 0.246 -10.791 -2.359 1.00 0.16 O ATOM 975 CB ARG A 153 2.139 -12.312 -0.124 1.00 0.16 C ATOM 976 CG ARG A 153 3.326 -13.194 0.234 1.00 0.21 C ATOM 977 CD ARG A 153 3.090 -13.943 1.540 1.00 0.26 C ATOM 978 NE ARG A 153 4.283 -14.675 1.978 1.00 0.38 N ATOM 979 CZ ARG A 153 4.314 -15.507 3.026 1.00 0.80 C ATOM 980 NH1 ARG A 153 3.216 -15.746 3.733 1.00 1.48 N ATOM 981 NH2 ARG A 153 5.452 -16.096 3.372 1.00 0.84 N ATOM 0 H ARG A 153 4.064 -10.767 -0.449 1.00 0.10 H new ATOM 0 HA ARG A 153 2.389 -12.152 -2.252 1.00 0.12 H new ATOM 0 HB2 ARG A 153 1.937 -11.639 0.709 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.257 -12.941 -0.247 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.505 -13.909 -0.569 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.223 -12.581 0.322 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.794 -13.236 2.315 1.00 0.26 H new ATOM 0 HD3 ARG A 153 2.263 -14.641 1.413 1.00 0.26 H new ATOM 0 HE ARG A 153 5.145 -14.541 1.450 1.00 0.38 H new ATOM 0 HH11 ARG A 153 2.338 -15.294 3.479 1.00 1.48 H new ATOM 0 HH12 ARG A 153 3.251 -16.382 4.530 1.00 1.48 H new ATOM 0 HH21 ARG A 153 6.303 -15.915 2.839 1.00 0.84 H new ATOM 0 HH22 ARG A 153 5.476 -16.730 4.171 1.00 0.84 H new ATOM 995 N ALA A 154 1.151 -9.444 -0.803 1.00 0.09 N ATOM 996 CA ALA A 154 0.082 -8.454 -0.883 1.00 0.09 C ATOM 997 C ALA A 154 0.024 -7.838 -2.275 1.00 0.09 C ATOM 998 O ALA A 154 -1.057 -7.600 -2.812 1.00 0.10 O ATOM 999 CB ALA A 154 0.267 -7.370 0.172 1.00 0.10 C ATOM 0 H ALA A 154 1.882 -9.221 -0.128 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.864 -8.961 -0.690 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.542 -6.643 0.093 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.253 -7.822 1.164 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.222 -6.868 0.015 1.00 0.10 H new ATOM 1005 N ILE A 155 1.194 -7.598 -2.859 1.00 0.09 N ATOM 1006 CA ILE A 155 1.284 -7.024 -4.196 1.00 0.10 C ATOM 1007 C ILE A 155 0.583 -7.898 -5.228 1.00 0.11 C ATOM 1008 O ILE A 155 -0.279 -7.425 -5.959 1.00 0.14 O ATOM 1009 CB ILE A 155 2.752 -6.811 -4.623 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.410 -5.768 -3.725 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.835 -6.385 -6.083 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.882 -5.573 -3.997 1.00 0.15 C ATOM 0 H ILE A 155 2.096 -7.793 -2.425 1.00 0.09 H new ATOM 0 HA ILE A 155 0.784 -6.057 -4.153 1.00 0.10 H new ATOM 0 HB ILE A 155 3.285 -7.756 -4.516 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.897 -4.815 -3.854 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.278 -6.063 -2.684 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.879 -6.241 -6.361 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.395 -7.158 -6.713 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.290 -5.451 -6.221 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.280 -4.817 -3.320 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.409 -6.514 -3.840 1.00 0.15 H new ATOM 0 HD13 ILE A 155 5.021 -5.247 -5.028 1.00 0.15 H new ATOM 1024 N GLU A 156 0.945 -9.171 -5.290 1.00 0.11 N ATOM 1025 CA GLU A 156 0.339 -10.069 -6.259 1.00 0.13 C ATOM 1026 C GLU A 156 -1.143 -10.271 -5.997 1.00 0.12 C ATOM 1027 O GLU A 156 -1.968 -10.228 -6.913 1.00 0.15 O ATOM 1028 CB GLU A 156 1.028 -11.434 -6.280 1.00 0.17 C ATOM 1029 CG GLU A 156 1.480 -11.951 -4.927 1.00 0.21 C ATOM 1030 CD GLU A 156 1.719 -13.441 -4.953 1.00 0.62 C ATOM 1031 OE1 GLU A 156 2.843 -13.861 -5.282 1.00 0.63 O ATOM 1032 OE2 GLU A 156 0.777 -14.201 -4.657 1.00 1.08 O ATOM 0 H GLU A 156 1.647 -9.601 -4.688 1.00 0.11 H new ATOM 0 HA GLU A 156 0.467 -9.590 -7.230 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.345 -12.161 -6.719 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.896 -11.375 -6.937 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.396 -11.440 -4.629 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.725 -11.716 -4.176 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.468 -10.478 -4.742 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.788 -10.914 -4.363 1.00 0.10 C ATOM 1041 C LYS A 157 -3.811 -9.781 -4.386 1.00 0.08 C ATOM 1042 O LYS A 157 -4.953 -9.984 -4.790 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.735 -11.557 -2.980 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.441 -12.900 -2.930 1.00 0.17 C ATOM 1045 CD LYS A 157 -4.909 -12.779 -3.322 1.00 0.21 C ATOM 1046 CE LYS A 157 -5.816 -12.560 -2.116 1.00 0.29 C ATOM 1047 NZ LYS A 157 -5.794 -13.724 -1.190 1.00 1.16 N ATOM 0 H LYS A 157 -0.827 -10.349 -3.959 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.118 -11.646 -5.100 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.694 -11.687 -2.684 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.191 -10.884 -2.254 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -2.941 -13.599 -3.601 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.366 -13.314 -1.924 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.029 -11.950 -4.019 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.218 -13.683 -3.846 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.500 -11.664 -1.581 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -6.837 -12.385 -2.456 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -6.766 -13.957 -0.902 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -5.370 -14.543 -1.671 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.231 -13.487 -0.348 1.00 1.16 H new ATOM 1061 N MET A 158 -3.413 -8.593 -3.969 1.00 0.07 N ATOM 1062 CA MET A 158 -4.359 -7.486 -3.875 1.00 0.08 C ATOM 1063 C MET A 158 -4.363 -6.625 -5.126 1.00 0.09 C ATOM 1064 O MET A 158 -5.304 -5.864 -5.348 1.00 0.13 O ATOM 1065 CB MET A 158 -4.077 -6.616 -2.651 1.00 0.09 C ATOM 1066 CG MET A 158 -4.285 -7.342 -1.338 1.00 0.10 C ATOM 1067 SD MET A 158 -5.959 -7.995 -1.171 1.00 0.35 S ATOM 1068 CE MET A 158 -6.918 -6.498 -1.373 1.00 0.18 C ATOM 0 H MET A 158 -2.457 -8.367 -3.693 1.00 0.07 H new ATOM 0 HA MET A 158 -5.347 -7.935 -3.771 1.00 0.08 H new ATOM 0 HB2 MET A 158 -3.050 -6.255 -2.700 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.725 -5.740 -2.680 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.569 -8.160 -1.261 1.00 0.10 H new ATOM 0 HG3 MET A 158 -4.080 -6.660 -0.513 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.953 -6.687 -1.087 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.505 -5.713 -0.740 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.882 -6.180 -2.415 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.329 -6.726 -5.945 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.306 -5.962 -7.181 1.00 0.10 C ATOM 1080 C ASN A 159 -4.352 -6.524 -8.134 1.00 0.13 C ATOM 1081 O ASN A 159 -4.333 -7.713 -8.454 1.00 0.16 O ATOM 1082 CB ASN A 159 -1.924 -6.010 -7.834 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.824 -5.120 -9.062 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.593 -4.171 -9.218 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.847 -5.390 -9.917 1.00 0.38 N ATOM 0 H ASN A 159 -2.512 -7.315 -5.783 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.532 -4.920 -6.953 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.172 -5.704 -7.106 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.695 -7.038 -8.116 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.712 -4.802 -10.739 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.231 -6.186 -9.752 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.264 -5.674 -8.575 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.328 -6.120 -9.452 1.00 0.19 C ATOM 1094 C GLY A 160 -7.509 -6.677 -8.678 1.00 0.22 C ATOM 1095 O GLY A 160 -8.426 -7.253 -9.258 1.00 0.29 O ATOM 0 H GLY A 160 -5.288 -4.681 -8.342 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.661 -5.287 -10.071 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -5.944 -6.885 -10.127 1.00 0.19 H new ATOM 1099 N MET A 161 -7.479 -6.511 -7.363 1.00 0.22 N ATOM 1100 CA MET A 161 -8.559 -6.973 -6.503 1.00 0.27 C ATOM 1101 C MET A 161 -9.586 -5.870 -6.310 1.00 0.24 C ATOM 1102 O MET A 161 -9.287 -4.693 -6.501 1.00 0.23 O ATOM 1103 CB MET A 161 -7.994 -7.405 -5.151 1.00 0.32 C ATOM 1104 CG MET A 161 -8.283 -8.848 -4.781 1.00 0.68 C ATOM 1105 SD MET A 161 -7.896 -10.015 -6.105 1.00 1.18 S ATOM 1106 CE MET A 161 -9.540 -10.489 -6.639 1.00 1.04 C ATOM 0 H MET A 161 -6.713 -6.057 -6.866 1.00 0.22 H new ATOM 0 HA MET A 161 -9.047 -7.825 -6.975 1.00 0.27 H new ATOM 0 HB2 MET A 161 -6.915 -7.254 -5.157 1.00 0.32 H new ATOM 0 HB3 MET A 161 -8.402 -6.756 -4.376 1.00 0.32 H new ATOM 0 HG2 MET A 161 -7.707 -9.111 -3.894 1.00 0.68 H new ATOM 0 HG3 MET A 161 -9.336 -8.944 -4.517 1.00 0.68 H new ATOM 0 HE1 MET A 161 -9.543 -10.636 -7.719 1.00 1.04 H new ATOM 0 HE2 MET A 161 -9.830 -11.417 -6.145 1.00 1.04 H new ATOM 0 HE3 MET A 161 -10.248 -9.703 -6.378 1.00 1.04 H new ATOM 1116 N LEU A 162 -10.790 -6.253 -5.919 1.00 0.26 N ATOM 1117 CA LEU A 162 -11.857 -5.298 -5.699 1.00 0.26 C ATOM 1118 C LEU A 162 -12.063 -5.101 -4.221 1.00 0.28 C ATOM 1119 O LEU A 162 -12.563 -5.990 -3.532 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.181 -5.762 -6.317 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.359 -5.497 -7.809 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -14.750 -5.915 -8.241 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.151 -4.029 -8.121 1.00 0.34 C ATOM 0 H LEU A 162 -11.051 -7.224 -5.747 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.561 -4.365 -6.178 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.282 -6.834 -6.145 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -13.997 -5.275 -5.783 1.00 0.31 H new ATOM 0 HG LEU A 162 -12.616 -6.079 -8.354 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -14.873 -5.724 -9.307 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -14.888 -6.978 -8.045 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.491 -5.344 -7.682 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.282 -3.862 -9.190 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -13.878 -3.433 -7.569 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.143 -3.734 -7.829 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.670 -3.954 -3.723 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.956 -3.637 -2.352 1.00 0.33 C ATOM 1137 C LEU A 163 -13.252 -2.856 -2.276 1.00 0.45 C ATOM 1138 O LEU A 163 -13.307 -1.689 -2.671 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.811 -2.868 -1.693 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.653 -3.742 -1.212 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.551 -2.890 -0.611 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.153 -4.759 -0.197 1.00 0.34 C ATOM 0 H LEU A 163 -11.160 -3.237 -4.239 1.00 0.25 H new ATOM 0 HA LEU A 163 -12.064 -4.570 -1.798 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.426 -2.136 -2.403 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -11.206 -2.311 -0.843 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.241 -4.274 -2.069 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.737 -3.532 -0.275 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.178 -2.194 -1.363 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.945 -2.330 0.237 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.320 -5.377 0.139 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.587 -4.238 0.657 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -10.911 -5.392 -0.659 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.297 -3.538 -1.817 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.637 -2.969 -1.686 1.00 0.42 C ATOM 1156 C ASN A 164 -16.323 -2.782 -3.030 1.00 0.45 C ATOM 1157 O ASN A 164 -17.392 -3.341 -3.274 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.609 -1.668 -0.874 1.00 0.49 C ATOM 1159 CG ASN A 164 -15.532 -1.941 0.616 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -15.968 -2.994 1.088 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -15.001 -0.996 1.370 1.00 1.07 N ATOM 0 H ASN A 164 -14.238 -4.513 -1.522 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.238 -3.692 -1.134 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.753 -1.067 -1.179 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.503 -1.083 -1.092 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.941 -1.123 2.380 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.651 -0.139 0.942 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.704 -2.019 -3.896 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.247 -1.772 -5.226 1.00 0.44 C ATOM 1170 C ASP A 165 -15.218 -1.130 -6.150 1.00 0.43 C ATOM 1171 O ASP A 165 -15.560 -0.627 -7.216 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.478 -0.866 -5.142 1.00 0.55 C ATOM 1173 CG ASP A 165 -18.374 -0.986 -6.360 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -19.084 -2.010 -6.474 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -18.377 -0.064 -7.205 1.00 0.85 O ATOM 0 H ASP A 165 -14.817 -1.551 -3.710 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.526 -2.741 -5.641 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.050 -1.118 -4.249 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -17.156 0.170 -5.033 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.956 -1.160 -5.761 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.927 -0.491 -6.533 1.00 0.27 C ATOM 1182 C ARG A 166 -11.712 -1.380 -6.675 1.00 0.24 C ATOM 1183 O ARG A 166 -11.269 -2.002 -5.707 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.538 0.840 -5.894 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.671 1.851 -5.854 1.00 0.27 C ATOM 1186 CD ARG A 166 -13.151 3.239 -5.531 1.00 0.27 C ATOM 1187 NE ARG A 166 -14.231 4.203 -5.327 1.00 0.42 N ATOM 1188 CZ ARG A 166 -14.051 5.440 -4.862 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.842 5.852 -4.491 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -15.088 6.260 -4.750 1.00 0.70 N ATOM 0 H ARG A 166 -13.622 -1.636 -4.923 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.330 -0.286 -7.525 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.190 0.657 -4.877 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.701 1.267 -6.446 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -14.184 1.866 -6.816 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.405 1.551 -5.106 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.533 3.193 -4.634 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.509 3.582 -6.343 1.00 0.27 H new ATOM 0 HE ARG A 166 -15.182 3.911 -5.555 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -12.044 5.220 -4.561 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.713 6.800 -4.136 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -16.020 5.944 -5.019 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.954 7.207 -4.395 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.191 -1.448 -7.885 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.058 -2.301 -8.177 1.00 0.20 C ATOM 1206 C LYS A 167 -8.782 -1.592 -7.772 1.00 0.17 C ATOM 1207 O LYS A 167 -8.489 -0.505 -8.264 1.00 0.22 O ATOM 1208 CB LYS A 167 -10.039 -2.648 -9.667 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.728 -4.107 -9.952 1.00 0.40 C ATOM 1210 CD LYS A 167 -9.939 -4.439 -11.419 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.015 -5.939 -11.638 1.00 0.53 C ATOM 1212 NZ LYS A 167 -10.138 -6.283 -13.078 1.00 1.00 N ATOM 0 H LYS A 167 -11.538 -0.919 -8.685 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.139 -3.230 -7.612 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -11.008 -2.401 -10.100 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.298 -2.024 -10.167 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.697 -4.323 -9.673 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -10.364 -4.744 -9.337 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -10.858 -3.971 -11.772 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -9.122 -4.024 -12.009 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -9.123 -6.412 -11.227 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -10.869 -6.343 -11.094 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -10.187 -7.316 -13.185 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.002 -5.853 -13.465 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -9.311 -5.920 -13.593 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.021 -2.204 -6.886 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.851 -1.550 -6.338 1.00 0.12 C ATOM 1228 C VAL A 168 -5.582 -2.060 -6.986 1.00 0.11 C ATOM 1229 O VAL A 168 -5.463 -3.239 -7.329 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.741 -1.720 -4.806 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.817 -0.920 -4.098 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.816 -3.185 -4.402 1.00 0.13 C ATOM 0 H VAL A 168 -8.190 -3.146 -6.533 1.00 0.13 H new ATOM 0 HA VAL A 168 -6.971 -0.489 -6.556 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.766 -1.338 -4.502 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.721 -1.054 -3.021 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.706 0.136 -4.343 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.799 -1.266 -4.420 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.735 -3.268 -3.318 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.768 -3.604 -4.728 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -5.999 -3.734 -4.870 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.646 -1.155 -7.175 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.359 -1.495 -7.731 1.00 0.12 C ATOM 1244 C PHE A 169 -2.318 -1.463 -6.627 1.00 0.10 C ATOM 1245 O PHE A 169 -2.112 -0.434 -5.991 1.00 0.12 O ATOM 1246 CB PHE A 169 -2.996 -0.517 -8.854 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.595 -0.663 -9.372 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.300 -1.566 -10.377 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.572 0.110 -8.849 1.00 0.18 C ATOM 1250 CE1 PHE A 169 -0.010 -1.698 -10.853 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.720 -0.017 -9.319 1.00 0.23 C ATOM 1252 CZ PHE A 169 1.003 -0.922 -10.321 1.00 0.26 C ATOM 0 H PHE A 169 -4.757 -0.167 -6.948 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.393 -2.498 -8.157 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.693 -0.657 -9.681 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.132 0.502 -8.491 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -2.088 -2.175 -10.795 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.787 0.820 -8.064 1.00 0.18 H new ATOM 0 HE1 PHE A 169 0.207 -2.406 -11.639 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.509 0.592 -8.902 1.00 0.23 H new ATOM 0 HZ PHE A 169 2.013 -1.024 -10.689 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.681 -2.591 -6.397 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.654 -2.686 -5.376 1.00 0.10 C ATOM 1264 C VAL A 170 0.682 -2.977 -6.036 1.00 0.11 C ATOM 1265 O VAL A 170 0.804 -3.915 -6.827 1.00 0.13 O ATOM 1266 CB VAL A 170 -0.954 -3.796 -4.335 1.00 0.10 C ATOM 1267 CG1 VAL A 170 0.092 -3.797 -3.232 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.344 -3.642 -3.738 1.00 0.09 C ATOM 0 H VAL A 170 -1.855 -3.459 -6.904 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.630 -1.733 -4.847 1.00 0.10 H new ATOM 0 HB VAL A 170 -0.916 -4.751 -4.858 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.138 -4.583 -2.513 1.00 0.11 H new ATOM 0 HG12 VAL A 170 1.076 -3.977 -3.664 1.00 0.11 H new ATOM 0 HG13 VAL A 170 0.089 -2.831 -2.727 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.519 -4.437 -3.013 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.422 -2.675 -3.241 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.089 -3.704 -4.531 1.00 0.09 H new ATOM 1278 N GLY A 171 1.670 -2.156 -5.734 1.00 0.12 N ATOM 1279 CA GLY A 171 2.977 -2.336 -6.318 1.00 0.14 C ATOM 1280 C GLY A 171 4.086 -1.956 -5.364 1.00 0.14 C ATOM 1281 O GLY A 171 3.825 -1.560 -4.225 1.00 0.18 O ATOM 0 H GLY A 171 1.590 -1.366 -5.093 1.00 0.12 H new ATOM 0 HA2 GLY A 171 3.099 -3.377 -6.618 1.00 0.14 H new ATOM 0 HA3 GLY A 171 3.055 -1.732 -7.222 1.00 0.14 H new ATOM 1285 N ARG A 172 5.318 -2.072 -5.834 1.00 0.18 N ATOM 1286 CA ARG A 172 6.486 -1.779 -5.015 1.00 0.19 C ATOM 1287 C ARG A 172 6.546 -0.292 -4.697 1.00 0.22 C ATOM 1288 O ARG A 172 6.480 0.547 -5.598 1.00 0.36 O ATOM 1289 CB ARG A 172 7.772 -2.196 -5.737 1.00 0.23 C ATOM 1290 CG ARG A 172 7.826 -3.665 -6.125 1.00 0.32 C ATOM 1291 CD ARG A 172 8.182 -4.572 -4.956 1.00 0.39 C ATOM 1292 NE ARG A 172 8.012 -5.980 -5.307 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.713 -6.980 -4.777 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.700 -6.733 -3.923 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.435 -8.231 -5.118 1.00 1.93 N ATOM 0 H ARG A 172 5.537 -2.369 -6.785 1.00 0.18 H new ATOM 0 HA ARG A 172 6.400 -2.346 -4.088 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.882 -1.591 -6.637 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.624 -1.971 -5.095 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.859 -3.965 -6.530 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.560 -3.799 -6.920 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.214 -4.392 -4.654 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.553 -4.330 -4.100 1.00 0.39 H new ATOM 0 HE ARG A 172 7.307 -6.213 -6.007 1.00 1.03 H new ATOM 0 HH11 ARG A 172 9.926 -5.771 -3.669 1.00 1.34 H new ATOM 0 HH12 ARG A 172 10.232 -7.505 -3.521 1.00 1.34 H new ATOM 0 HH21 ARG A 172 7.687 -8.424 -5.784 1.00 1.93 H new ATOM 0 HH22 ARG A 172 8.969 -9.000 -4.714 1.00 1.93 H new ATOM 1309 N PHE A 173 6.652 0.028 -3.418 1.00 0.23 N ATOM 1310 CA PHE A 173 6.842 1.404 -2.993 1.00 0.29 C ATOM 1311 C PHE A 173 8.211 1.875 -3.480 1.00 0.80 C ATOM 1312 O PHE A 173 9.186 1.122 -3.420 1.00 1.44 O ATOM 1313 CB PHE A 173 6.734 1.489 -1.468 1.00 0.48 C ATOM 1314 CG PHE A 173 6.528 2.875 -0.911 1.00 0.42 C ATOM 1315 CD1 PHE A 173 7.509 3.843 -1.022 1.00 0.72 C ATOM 1316 CD2 PHE A 173 5.348 3.198 -0.263 1.00 0.35 C ATOM 1317 CE1 PHE A 173 7.321 5.107 -0.500 1.00 0.71 C ATOM 1318 CE2 PHE A 173 5.155 4.460 0.264 1.00 0.37 C ATOM 1319 CZ PHE A 173 6.142 5.416 0.145 1.00 0.42 C ATOM 0 H PHE A 173 6.610 -0.648 -2.655 1.00 0.23 H new ATOM 0 HA PHE A 173 6.073 2.049 -3.418 1.00 0.29 H new ATOM 0 HB2 PHE A 173 5.906 0.859 -1.144 1.00 0.48 H new ATOM 0 HB3 PHE A 173 7.642 1.072 -1.032 1.00 0.48 H new ATOM 0 HD1 PHE A 173 8.435 3.607 -1.524 1.00 0.72 H new ATOM 0 HD2 PHE A 173 4.570 2.455 -0.169 1.00 0.35 H new ATOM 0 HE1 PHE A 173 8.096 5.853 -0.597 1.00 0.71 H new ATOM 0 HE2 PHE A 173 4.231 4.698 0.769 1.00 0.37 H new ATOM 0 HZ PHE A 173 5.992 6.404 0.556 1.00 0.42 H new ATOM 1329 N LYS A 174 8.280 3.103 -3.971 1.00 1.17 N ATOM 1330 CA LYS A 174 9.497 3.615 -4.600 1.00 1.67 C ATOM 1331 C LYS A 174 10.629 3.843 -3.596 1.00 1.86 C ATOM 1332 O LYS A 174 11.773 4.048 -4.000 1.00 2.43 O ATOM 1333 CB LYS A 174 9.196 4.909 -5.365 1.00 2.20 C ATOM 1334 CG LYS A 174 8.521 5.983 -4.528 1.00 2.69 C ATOM 1335 CD LYS A 174 8.145 7.191 -5.374 1.00 3.30 C ATOM 1336 CE LYS A 174 7.342 8.208 -4.577 1.00 4.16 C ATOM 1337 NZ LYS A 174 6.968 9.387 -5.400 1.00 4.66 N ATOM 0 H LYS A 174 7.507 3.768 -3.948 1.00 1.17 H new ATOM 0 HA LYS A 174 9.840 2.851 -5.298 1.00 1.67 H new ATOM 0 HB2 LYS A 174 10.129 5.308 -5.764 1.00 2.20 H new ATOM 0 HB3 LYS A 174 8.559 4.674 -6.218 1.00 2.20 H new ATOM 0 HG2 LYS A 174 7.627 5.573 -4.059 1.00 2.69 H new ATOM 0 HG3 LYS A 174 9.189 6.293 -3.724 1.00 2.69 H new ATOM 0 HD2 LYS A 174 9.050 7.662 -5.758 1.00 3.30 H new ATOM 0 HD3 LYS A 174 7.565 6.865 -6.237 1.00 3.30 H new ATOM 0 HE2 LYS A 174 6.440 7.735 -4.190 1.00 4.16 H new ATOM 0 HE3 LYS A 174 7.925 8.536 -3.716 1.00 4.16 H new ATOM 0 HZ1 LYS A 174 6.422 10.056 -4.820 1.00 4.66 H new ATOM 0 HZ2 LYS A 174 7.829 9.854 -5.749 1.00 4.66 H new ATOM 0 HZ3 LYS A 174 6.390 9.077 -6.208 1.00 4.66 H new ATOM 1351 N SER A 175 10.307 3.782 -2.305 1.00 2.06 N ATOM 1352 CA SER A 175 11.277 4.022 -1.235 1.00 2.52 C ATOM 1353 C SER A 175 11.854 5.430 -1.319 1.00 2.93 C ATOM 1354 O SER A 175 12.869 5.674 -1.973 1.00 3.60 O ATOM 1355 CB SER A 175 12.390 2.969 -1.253 1.00 3.15 C ATOM 1356 OG SER A 175 11.877 1.689 -0.909 1.00 3.52 O ATOM 0 H SER A 175 9.368 3.565 -1.970 1.00 2.06 H new ATOM 0 HA SER A 175 10.750 3.935 -0.285 1.00 2.52 H new ATOM 0 HB2 SER A 175 12.844 2.930 -2.243 1.00 3.15 H new ATOM 0 HB3 SER A 175 13.176 3.251 -0.553 1.00 3.15 H new ATOM 0 HG SER A 175 12.213 1.428 -0.026 1.00 3.52 H new ATOM 1362 N ARG A 176 11.175 6.362 -0.667 1.00 3.11 N ATOM 1363 CA ARG A 176 11.597 7.751 -0.663 1.00 3.87 C ATOM 1364 C ARG A 176 11.269 8.394 0.676 1.00 4.29 C ATOM 1365 O ARG A 176 12.166 8.754 1.439 1.00 4.77 O ATOM 1366 CB ARG A 176 10.911 8.517 -1.796 1.00 4.45 C ATOM 1367 CG ARG A 176 11.363 9.964 -1.920 1.00 4.94 C ATOM 1368 CD ARG A 176 10.519 10.715 -2.932 1.00 5.64 C ATOM 1369 NE ARG A 176 10.985 12.085 -3.132 1.00 6.15 N ATOM 1370 CZ ARG A 176 10.178 13.143 -3.187 1.00 6.90 C ATOM 1371 NH1 ARG A 176 8.878 13.006 -2.954 1.00 7.24 N ATOM 1372 NH2 ARG A 176 10.676 14.342 -3.449 1.00 7.60 N ATOM 0 H ARG A 176 10.326 6.178 -0.132 1.00 3.11 H new ATOM 0 HA ARG A 176 12.675 7.789 -0.818 1.00 3.87 H new ATOM 0 HB2 ARG A 176 11.104 8.004 -2.738 1.00 4.45 H new ATOM 0 HB3 ARG A 176 9.833 8.495 -1.636 1.00 4.45 H new ATOM 0 HG2 ARG A 176 11.294 10.454 -0.949 1.00 4.94 H new ATOM 0 HG3 ARG A 176 12.410 9.997 -2.220 1.00 4.94 H new ATOM 0 HD2 ARG A 176 10.538 10.184 -3.884 1.00 5.64 H new ATOM 0 HD3 ARG A 176 9.482 10.731 -2.597 1.00 5.64 H new ATOM 0 HE ARG A 176 11.988 12.240 -3.236 1.00 6.15 H new ATOM 0 HH11 ARG A 176 8.494 12.088 -2.732 1.00 7.24 H new ATOM 0 HH12 ARG A 176 8.264 13.819 -2.997 1.00 7.24 H new ATOM 0 HH21 ARG A 176 11.677 14.455 -3.609 1.00 7.60 H new ATOM 0 HH22 ARG A 176 10.058 15.153 -3.491 1.00 7.60 H new ATOM 1386 N LYS A 177 9.981 8.521 0.965 1.00 4.61 N ATOM 1387 CA LYS A 177 9.541 9.124 2.213 1.00 5.47 C ATOM 1388 C LYS A 177 9.288 8.031 3.254 1.00 6.20 C ATOM 1389 O LYS A 177 8.583 7.057 2.976 1.00 6.81 O ATOM 1390 CB LYS A 177 8.269 9.957 1.982 1.00 5.99 C ATOM 1391 CG LYS A 177 7.899 10.896 3.133 1.00 6.65 C ATOM 1392 CD LYS A 177 7.310 10.153 4.330 1.00 7.44 C ATOM 1393 CE LYS A 177 6.027 9.423 3.961 1.00 7.99 C ATOM 1394 NZ LYS A 177 4.907 10.363 3.704 1.00 8.61 N ATOM 0 H LYS A 177 9.225 8.215 0.353 1.00 4.61 H new ATOM 0 HA LYS A 177 10.321 9.788 2.584 1.00 5.47 H new ATOM 0 HB2 LYS A 177 8.399 10.549 1.076 1.00 5.99 H new ATOM 0 HB3 LYS A 177 7.435 9.279 1.803 1.00 5.99 H new ATOM 0 HG2 LYS A 177 8.787 11.443 3.450 1.00 6.65 H new ATOM 0 HG3 LYS A 177 7.180 11.634 2.778 1.00 6.65 H new ATOM 0 HD2 LYS A 177 8.040 9.438 4.710 1.00 7.44 H new ATOM 0 HD3 LYS A 177 7.108 10.860 5.134 1.00 7.44 H new ATOM 0 HE2 LYS A 177 6.199 8.813 3.074 1.00 7.99 H new ATOM 0 HE3 LYS A 177 5.752 8.743 4.767 1.00 7.99 H new ATOM 0 HZ1 LYS A 177 4.066 9.828 3.407 1.00 8.61 H new ATOM 0 HZ2 LYS A 177 4.691 10.892 4.573 1.00 8.61 H new ATOM 0 HZ3 LYS A 177 5.178 11.028 2.952 1.00 8.61 H new ATOM 1408 N GLU A 178 9.858 8.202 4.443 1.00 6.45 N ATOM 1409 CA GLU A 178 9.658 7.275 5.545 1.00 7.43 C ATOM 1410 C GLU A 178 10.145 7.922 6.838 1.00 7.96 C ATOM 1411 O GLU A 178 11.346 8.059 7.067 1.00 8.13 O ATOM 1412 CB GLU A 178 10.371 5.936 5.291 1.00 7.79 C ATOM 1413 CG GLU A 178 11.844 6.056 4.926 1.00 8.26 C ATOM 1414 CD GLU A 178 12.502 4.712 4.730 1.00 8.30 C ATOM 1415 OE1 GLU A 178 12.455 4.184 3.596 1.00 8.32 O ATOM 1416 OE2 GLU A 178 13.055 4.171 5.712 1.00 8.55 O ATOM 0 H GLU A 178 10.470 8.987 4.667 1.00 6.45 H new ATOM 0 HA GLU A 178 8.594 7.054 5.632 1.00 7.43 H new ATOM 0 HB2 GLU A 178 10.282 5.318 6.184 1.00 7.79 H new ATOM 0 HB3 GLU A 178 9.854 5.412 4.488 1.00 7.79 H new ATOM 0 HG2 GLU A 178 11.942 6.642 4.012 1.00 8.26 H new ATOM 0 HG3 GLU A 178 12.366 6.602 5.712 1.00 8.26 H new ATOM 1423 N ARG A 179 9.210 8.359 7.666 1.00 8.49 N ATOM 1424 CA ARG A 179 9.559 9.100 8.866 1.00 9.26 C ATOM 1425 C ARG A 179 9.078 8.391 10.126 1.00 10.11 C ATOM 1426 O ARG A 179 9.864 7.779 10.846 1.00 10.52 O ATOM 1427 CB ARG A 179 8.958 10.504 8.797 1.00 9.63 C ATOM 1428 CG ARG A 179 9.225 11.355 10.032 1.00 10.21 C ATOM 1429 CD ARG A 179 8.491 12.683 9.963 1.00 10.71 C ATOM 1430 NE ARG A 179 8.912 13.484 8.815 1.00 11.04 N ATOM 1431 CZ ARG A 179 8.170 14.438 8.257 1.00 11.73 C ATOM 1432 NH1 ARG A 179 6.962 14.719 8.733 1.00 12.15 N ATOM 1433 NH2 ARG A 179 8.639 15.114 7.221 1.00 12.18 N ATOM 0 H ARG A 179 8.209 8.214 7.530 1.00 8.49 H new ATOM 0 HA ARG A 179 10.646 9.165 8.917 1.00 9.26 H new ATOM 0 HB2 ARG A 179 9.358 11.016 7.922 1.00 9.63 H new ATOM 0 HB3 ARG A 179 7.881 10.420 8.652 1.00 9.63 H new ATOM 0 HG2 ARG A 179 8.913 10.812 10.924 1.00 10.21 H new ATOM 0 HG3 ARG A 179 10.296 11.535 10.127 1.00 10.21 H new ATOM 0 HD2 ARG A 179 7.418 12.501 9.904 1.00 10.71 H new ATOM 0 HD3 ARG A 179 8.669 13.244 10.881 1.00 10.71 H new ATOM 0 HE ARG A 179 9.833 13.300 8.416 1.00 11.04 H new ATOM 0 HH11 ARG A 179 6.596 14.202 9.532 1.00 12.15 H new ATOM 0 HH12 ARG A 179 6.401 15.452 8.299 1.00 12.15 H new ATOM 0 HH21 ARG A 179 9.566 14.904 6.852 1.00 12.18 H new ATOM 0 HH22 ARG A 179 8.073 15.846 6.791 1.00 12.18 H new ATOM 1447 N GLU A 180 7.782 8.466 10.375 1.00 10.55 N ATOM 1448 CA GLU A 180 7.213 7.990 11.624 1.00 11.52 C ATOM 1449 C GLU A 180 5.827 7.409 11.376 1.00 12.20 C ATOM 1450 O GLU A 180 4.872 8.155 11.136 1.00 12.70 O ATOM 1451 CB GLU A 180 7.138 9.158 12.607 1.00 11.80 C ATOM 1452 CG GLU A 180 6.534 8.814 13.953 1.00 12.14 C ATOM 1453 CD GLU A 180 6.327 10.047 14.802 1.00 12.44 C ATOM 1454 OE1 GLU A 180 5.315 10.747 14.606 1.00 12.62 O ATOM 1455 OE2 GLU A 180 7.170 10.308 15.688 1.00 12.64 O ATOM 0 H GLU A 180 7.100 8.855 9.724 1.00 10.55 H new ATOM 0 HA GLU A 180 7.841 7.204 12.044 1.00 11.52 H new ATOM 0 HB2 GLU A 180 8.144 9.548 12.764 1.00 11.80 H new ATOM 0 HB3 GLU A 180 6.552 9.959 12.155 1.00 11.80 H new ATOM 0 HG2 GLU A 180 5.579 8.309 13.806 1.00 12.14 H new ATOM 0 HG3 GLU A 180 7.186 8.116 14.477 1.00 12.14 H new ATOM 1462 N ALA A 181 5.730 6.080 11.406 1.00 12.41 N ATOM 1463 CA ALA A 181 4.477 5.376 11.100 1.00 13.20 C ATOM 1464 C ALA A 181 3.969 5.762 9.714 1.00 13.42 C ATOM 1465 O ALA A 181 2.782 5.636 9.409 1.00 13.65 O ATOM 1466 CB ALA A 181 3.424 5.669 12.164 1.00 13.56 C ATOM 0 H ALA A 181 6.507 5.463 11.640 1.00 12.41 H new ATOM 0 HA ALA A 181 4.675 4.304 11.103 1.00 13.20 H new ATOM 0 HB1 ALA A 181 2.503 5.139 11.920 1.00 13.56 H new ATOM 0 HB2 ALA A 181 3.787 5.337 13.137 1.00 13.56 H new ATOM 0 HB3 ALA A 181 3.228 6.741 12.197 1.00 13.56 H new ATOM 1472 N GLU A 182 4.891 6.209 8.877 1.00 13.52 N ATOM 1473 CA GLU A 182 4.574 6.693 7.547 1.00 13.92 C ATOM 1474 C GLU A 182 5.852 6.732 6.722 1.00 14.43 C ATOM 1475 O GLU A 182 6.037 5.840 5.871 1.00 15.05 O ATOM 1476 CB GLU A 182 3.940 8.090 7.620 1.00 13.77 C ATOM 1477 CG GLU A 182 3.433 8.611 6.283 1.00 14.19 C ATOM 1478 CD GLU A 182 2.955 10.047 6.358 1.00 14.38 C ATOM 1479 OE1 GLU A 182 1.774 10.272 6.697 1.00 14.46 O ATOM 1480 OE2 GLU A 182 3.757 10.962 6.065 1.00 14.58 O ATOM 1481 OXT GLU A 182 6.689 7.629 6.969 1.00 14.36 O ATOM 0 H GLU A 182 5.885 6.246 9.104 1.00 13.52 H new ATOM 0 HA GLU A 182 3.855 6.023 7.076 1.00 13.92 H new ATOM 0 HB2 GLU A 182 3.110 8.065 8.326 1.00 13.77 H new ATOM 0 HB3 GLU A 182 4.675 8.791 8.016 1.00 13.77 H new ATOM 0 HG2 GLU A 182 4.230 8.536 5.543 1.00 14.19 H new ATOM 0 HG3 GLU A 182 2.616 7.978 5.937 1.00 14.19 H new TER 1488 GLU A 182