USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 673 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A1000 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A1000 CACA :(metal ligand) USER MOD Set 1.1: A 109 MET CE :methyl 154:sc= -0.168 (180deg=-1.06) USER MOD Set 1.2: A 124 MET CE :methyl -168:sc= -6.27! (180deg=-7.06!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 174:sc= 1.29 (180deg=-0.0158) USER MOD Set 2.2: A 107 HIS : no HD1:sc= 1.06 K(o=2.4,f=-12!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -81:sc= 0.519 USER MOD Single : A 110 THR OG1 : rot -85:sc= 1.22 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 172:sc= 0.674 (180deg=0.633) USER MOD Single : A 117 THR OG1 : rot -74:sc= 0.96 USER MOD Single : A 135 GLN : amide:sc= -0.239! X(o=-0.24!,f=-0.21) USER MOD Single : A 137 ASN : amide:sc= -2.69! C(o=-2.7!,f=-6.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.738 K(o=-0.74,f=0) USER MOD Single : A 144 MET CE :methyl 146:sc= -4.11! (180deg=-5.61!) USER MOD Single : A 145 MET CE :methyl 156:sc= -4.66! (180deg=-6.63!) USER MOD Single : A 146 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 290 ASN : amide:sc= -0.72 K(o=-0.72,f=-2.4!) USER MOD Single : B 294 SER OG : rot 63:sc= 0.87 USER MOD Single : B 297 MET CE :methyl -170:sc= 0 (180deg=-0.143) USER MOD Single : B 299 LYS NZ :NH3+ 156:sc= 0.226 (180deg=-1.71!) USER MOD Single : B 301 SER OG : rot 77:sc= 1.24 USER MOD Single : B 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 303 LYS NZ :NH3+ -147:sc= 1.08 (180deg=-0.476!) USER MOD Single : B 304 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1.3!) USER MOD Single : B 305 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 82 9.775 -3.423 7.586 1.00 1.91 N ATOM 2 CA GLU A 82 9.357 -3.337 6.162 1.00 1.66 C ATOM 3 C GLU A 82 8.587 -4.590 5.752 1.00 1.50 C ATOM 4 O GLU A 82 8.204 -4.746 4.590 1.00 1.46 O ATOM 5 CB GLU A 82 10.569 -3.145 5.232 1.00 1.88 C ATOM 6 CG GLU A 82 11.919 -3.144 5.935 1.00 2.18 C ATOM 7 CD GLU A 82 12.209 -1.842 6.653 1.00 2.30 C ATOM 8 OE1 GLU A 82 11.772 -1.693 7.811 1.00 2.34 O ATOM 9 OE2 GLU A 82 12.886 -0.975 6.066 1.00 2.82 O ATOM 0 HA GLU A 82 8.707 -2.468 6.064 1.00 1.66 H new ATOM 0 HB2 GLU A 82 10.565 -3.938 4.485 1.00 1.88 H new ATOM 0 HB3 GLU A 82 10.453 -2.202 4.697 1.00 1.88 H new ATOM 0 HG2 GLU A 82 11.950 -3.964 6.653 1.00 2.18 H new ATOM 0 HG3 GLU A 82 12.704 -3.332 5.203 1.00 2.18 H new ATOM 18 N GLU A 83 8.353 -5.469 6.720 1.00 1.55 N ATOM 19 CA GLU A 83 7.633 -6.716 6.492 1.00 1.51 C ATOM 20 C GLU A 83 6.245 -6.462 5.908 1.00 1.36 C ATOM 21 O GLU A 83 5.928 -6.941 4.820 1.00 1.32 O ATOM 22 CB GLU A 83 7.503 -7.529 7.792 1.00 1.74 C ATOM 23 CG GLU A 83 7.975 -6.811 9.057 1.00 1.98 C ATOM 24 CD GLU A 83 7.214 -5.528 9.339 1.00 2.20 C ATOM 25 OE1 GLU A 83 6.038 -5.598 9.740 1.00 2.61 O ATOM 26 OE2 GLU A 83 7.794 -4.438 9.129 1.00 2.36 O ATOM 0 H GLU A 83 8.657 -5.337 7.685 1.00 1.55 H new ATOM 0 HA GLU A 83 8.215 -7.291 5.771 1.00 1.51 H new ATOM 0 HB2 GLU A 83 6.458 -7.812 7.922 1.00 1.74 H new ATOM 0 HB3 GLU A 83 8.072 -8.452 7.683 1.00 1.74 H new ATOM 0 HG2 GLU A 83 7.869 -7.483 9.909 1.00 1.98 H new ATOM 0 HG3 GLU A 83 9.036 -6.582 8.962 1.00 1.98 H new ATOM 33 N GLU A 84 5.428 -5.697 6.628 1.00 1.33 N ATOM 34 CA GLU A 84 4.074 -5.396 6.177 1.00 1.24 C ATOM 35 C GLU A 84 4.077 -4.707 4.818 1.00 1.17 C ATOM 36 O GLU A 84 3.158 -4.892 4.027 1.00 1.15 O ATOM 37 CB GLU A 84 3.346 -4.517 7.193 1.00 1.31 C ATOM 38 CG GLU A 84 1.845 -4.766 7.237 1.00 1.18 C ATOM 39 CD GLU A 84 1.496 -6.032 7.990 1.00 1.21 C ATOM 40 OE1 GLU A 84 1.421 -5.989 9.230 1.00 1.69 O ATOM 41 OE2 GLU A 84 1.314 -7.083 7.343 1.00 1.78 O ATOM 0 H GLU A 84 5.680 -5.276 7.522 1.00 1.33 H new ATOM 0 HA GLU A 84 3.549 -6.346 6.082 1.00 1.24 H new ATOM 0 HB2 GLU A 84 3.766 -4.694 8.183 1.00 1.31 H new ATOM 0 HB3 GLU A 84 3.527 -3.469 6.952 1.00 1.31 H new ATOM 0 HG2 GLU A 84 1.351 -3.917 7.710 1.00 1.18 H new ATOM 0 HG3 GLU A 84 1.460 -4.833 6.220 1.00 1.18 H new ATOM 48 N ILE A 85 5.112 -3.923 4.546 1.00 1.16 N ATOM 49 CA ILE A 85 5.215 -3.216 3.275 1.00 1.13 C ATOM 50 C ILE A 85 5.391 -4.204 2.128 1.00 1.09 C ATOM 51 O ILE A 85 4.755 -4.078 1.081 1.00 1.08 O ATOM 52 CB ILE A 85 6.375 -2.197 3.281 1.00 1.16 C ATOM 53 CG1 ILE A 85 6.359 -1.396 4.594 1.00 1.23 C ATOM 54 CG2 ILE A 85 6.273 -1.275 2.069 1.00 1.15 C ATOM 55 CD1 ILE A 85 7.051 -0.052 4.513 1.00 1.33 C ATOM 0 H ILE A 85 5.890 -3.761 5.185 1.00 1.16 H new ATOM 0 HA ILE A 85 4.286 -2.664 3.131 1.00 1.13 H new ATOM 0 HB ILE A 85 7.324 -2.729 3.217 1.00 1.16 H new ATOM 0 HG12 ILE A 85 5.324 -1.241 4.898 1.00 1.23 H new ATOM 0 HG13 ILE A 85 6.835 -1.990 5.374 1.00 1.23 H new ATOM 0 HG21 ILE A 85 7.096 -0.561 2.085 1.00 1.15 H new ATOM 0 HG22 ILE A 85 6.324 -1.868 1.156 1.00 1.15 H new ATOM 0 HG23 ILE A 85 5.326 -0.737 2.100 1.00 1.15 H new ATOM 0 HD11 ILE A 85 6.993 0.446 5.481 1.00 1.33 H new ATOM 0 HD12 ILE A 85 8.097 -0.197 4.241 1.00 1.33 H new ATOM 0 HD13 ILE A 85 6.562 0.564 3.758 1.00 1.33 H new ATOM 67 N ARG A 86 6.232 -5.207 2.344 1.00 1.12 N ATOM 68 CA ARG A 86 6.466 -6.232 1.339 1.00 1.13 C ATOM 69 C ARG A 86 5.183 -7.024 1.114 1.00 1.11 C ATOM 70 O ARG A 86 4.817 -7.346 -0.019 1.00 1.09 O ATOM 71 CB ARG A 86 7.594 -7.166 1.789 1.00 1.24 C ATOM 72 CG ARG A 86 7.873 -8.311 0.825 1.00 1.32 C ATOM 73 CD ARG A 86 7.390 -9.647 1.374 1.00 1.50 C ATOM 74 NE ARG A 86 7.890 -10.766 0.579 1.00 1.70 N ATOM 75 CZ ARG A 86 7.500 -12.032 0.718 1.00 1.95 C ATOM 76 NH1 ARG A 86 6.558 -12.357 1.600 1.00 2.05 N ATOM 77 NH2 ARG A 86 8.044 -12.968 -0.049 1.00 2.26 N ATOM 0 H ARG A 86 6.763 -5.331 3.206 1.00 1.12 H new ATOM 0 HA ARG A 86 6.763 -5.758 0.404 1.00 1.13 H new ATOM 0 HB2 ARG A 86 8.506 -6.582 1.917 1.00 1.24 H new ATOM 0 HB3 ARG A 86 7.341 -7.580 2.765 1.00 1.24 H new ATOM 0 HG2 ARG A 86 7.382 -8.111 -0.127 1.00 1.32 H new ATOM 0 HG3 ARG A 86 8.943 -8.366 0.627 1.00 1.32 H new ATOM 0 HD2 ARG A 86 7.720 -9.757 2.407 1.00 1.50 H new ATOM 0 HD3 ARG A 86 6.300 -9.665 1.384 1.00 1.50 H new ATOM 0 HE ARG A 86 8.589 -10.563 -0.135 1.00 1.70 H new ATOM 0 HH11 ARG A 86 6.128 -11.634 2.177 1.00 2.05 H new ATOM 0 HH12 ARG A 86 6.266 -13.329 1.699 1.00 2.05 H new ATOM 0 HH21 ARG A 86 8.754 -12.715 -0.737 1.00 2.26 H new ATOM 0 HH22 ARG A 86 7.753 -13.941 0.049 1.00 2.26 H new ATOM 91 N GLU A 87 4.496 -7.315 2.210 1.00 1.14 N ATOM 92 CA GLU A 87 3.246 -8.057 2.167 1.00 1.16 C ATOM 93 C GLU A 87 2.151 -7.230 1.501 1.00 1.05 C ATOM 94 O GLU A 87 1.349 -7.755 0.729 1.00 1.05 O ATOM 95 CB GLU A 87 2.823 -8.431 3.586 1.00 1.26 C ATOM 96 CG GLU A 87 3.814 -9.331 4.302 1.00 1.38 C ATOM 97 CD GLU A 87 3.763 -10.757 3.808 1.00 1.62 C ATOM 98 OE1 GLU A 87 2.732 -11.426 4.024 1.00 1.88 O ATOM 99 OE2 GLU A 87 4.759 -11.221 3.210 1.00 1.91 O ATOM 0 H GLU A 87 4.788 -7.044 3.149 1.00 1.14 H new ATOM 0 HA GLU A 87 3.398 -8.963 1.581 1.00 1.16 H new ATOM 0 HB2 GLU A 87 2.688 -7.519 4.168 1.00 1.26 H new ATOM 0 HB3 GLU A 87 1.855 -8.930 3.547 1.00 1.26 H new ATOM 0 HG2 GLU A 87 4.821 -8.938 4.164 1.00 1.38 H new ATOM 0 HG3 GLU A 87 3.608 -9.313 5.372 1.00 1.38 H new ATOM 106 N ALA A 88 2.129 -5.935 1.804 1.00 1.00 N ATOM 107 CA ALA A 88 1.137 -5.021 1.250 1.00 0.91 C ATOM 108 C ALA A 88 1.161 -5.046 -0.269 1.00 0.82 C ATOM 109 O ALA A 88 0.117 -5.056 -0.911 1.00 0.80 O ATOM 110 CB ALA A 88 1.369 -3.605 1.761 1.00 0.91 C ATOM 0 H ALA A 88 2.795 -5.492 2.437 1.00 1.00 H new ATOM 0 HA ALA A 88 0.153 -5.353 1.580 1.00 0.91 H new ATOM 0 HB1 ALA A 88 0.619 -2.938 1.337 1.00 0.91 H new ATOM 0 HB2 ALA A 88 1.292 -3.593 2.848 1.00 0.91 H new ATOM 0 HB3 ALA A 88 2.363 -3.269 1.464 1.00 0.91 H new ATOM 116 N PHE A 89 2.362 -5.073 -0.833 1.00 0.80 N ATOM 117 CA PHE A 89 2.530 -5.103 -2.278 1.00 0.73 C ATOM 118 C PHE A 89 1.819 -6.315 -2.883 1.00 0.76 C ATOM 119 O PHE A 89 1.200 -6.220 -3.941 1.00 0.75 O ATOM 120 CB PHE A 89 4.020 -5.124 -2.631 1.00 0.74 C ATOM 121 CG PHE A 89 4.301 -4.863 -4.081 1.00 0.66 C ATOM 122 CD1 PHE A 89 3.954 -3.653 -4.659 1.00 0.66 C ATOM 123 CD2 PHE A 89 4.905 -5.829 -4.869 1.00 0.84 C ATOM 124 CE1 PHE A 89 4.205 -3.411 -5.995 1.00 0.67 C ATOM 125 CE2 PHE A 89 5.159 -5.594 -6.206 1.00 0.86 C ATOM 126 CZ PHE A 89 4.807 -4.382 -6.770 1.00 0.70 C ATOM 0 H PHE A 89 3.237 -5.075 -0.308 1.00 0.80 H new ATOM 0 HA PHE A 89 2.080 -4.204 -2.698 1.00 0.73 H new ATOM 0 HB2 PHE A 89 4.537 -4.376 -2.030 1.00 0.74 H new ATOM 0 HB3 PHE A 89 4.435 -6.094 -2.359 1.00 0.74 H new ATOM 0 HD1 PHE A 89 3.482 -2.890 -4.058 1.00 0.66 H new ATOM 0 HD2 PHE A 89 5.181 -6.778 -4.432 1.00 0.84 H new ATOM 0 HE1 PHE A 89 3.931 -2.463 -6.433 1.00 0.67 H new ATOM 0 HE2 PHE A 89 5.631 -6.355 -6.809 1.00 0.86 H new ATOM 0 HZ PHE A 89 5.003 -4.195 -7.816 1.00 0.70 H new ATOM 136 N ARG A 90 1.889 -7.441 -2.188 1.00 0.84 N ATOM 137 CA ARG A 90 1.255 -8.670 -2.651 1.00 0.92 C ATOM 138 C ARG A 90 -0.260 -8.610 -2.461 1.00 0.96 C ATOM 139 O ARG A 90 -1.018 -9.060 -3.321 1.00 1.01 O ATOM 140 CB ARG A 90 1.835 -9.876 -1.905 1.00 1.06 C ATOM 141 CG ARG A 90 1.204 -11.209 -2.290 1.00 1.20 C ATOM 142 CD ARG A 90 1.481 -11.571 -3.742 1.00 1.21 C ATOM 143 NE ARG A 90 0.337 -11.294 -4.613 1.00 1.15 N ATOM 144 CZ ARG A 90 -0.253 -12.207 -5.393 1.00 1.42 C ATOM 145 NH1 ARG A 90 0.126 -13.480 -5.347 1.00 1.84 N ATOM 146 NH2 ARG A 90 -1.236 -11.845 -6.204 1.00 1.56 N ATOM 0 H ARG A 90 2.380 -7.530 -1.298 1.00 0.84 H new ATOM 0 HA ARG A 90 1.459 -8.779 -3.716 1.00 0.92 H new ATOM 0 HB2 ARG A 90 2.907 -9.926 -2.095 1.00 1.06 H new ATOM 0 HB3 ARG A 90 1.708 -9.722 -0.833 1.00 1.06 H new ATOM 0 HG2 ARG A 90 1.590 -11.994 -1.640 1.00 1.20 H new ATOM 0 HG3 ARG A 90 0.127 -11.161 -2.127 1.00 1.20 H new ATOM 0 HD2 ARG A 90 2.347 -11.011 -4.095 1.00 1.21 H new ATOM 0 HD3 ARG A 90 1.737 -12.628 -3.808 1.00 1.21 H new ATOM 0 HE ARG A 90 -0.034 -10.344 -4.626 1.00 1.15 H new ATOM 0 HH11 ARG A 90 0.872 -13.767 -4.714 1.00 1.84 H new ATOM 0 HH12 ARG A 90 -0.329 -14.170 -5.945 1.00 1.84 H new ATOM 0 HH21 ARG A 90 -1.541 -10.872 -6.233 1.00 1.56 H new ATOM 0 HH22 ARG A 90 -1.687 -12.539 -6.800 1.00 1.56 H new ATOM 160 N VAL A 91 -0.691 -8.052 -1.334 1.00 0.98 N ATOM 161 CA VAL A 91 -2.113 -7.930 -1.027 1.00 1.05 C ATOM 162 C VAL A 91 -2.799 -6.954 -1.982 1.00 0.96 C ATOM 163 O VAL A 91 -3.947 -7.159 -2.379 1.00 1.03 O ATOM 164 CB VAL A 91 -2.336 -7.466 0.430 1.00 1.14 C ATOM 165 CG1 VAL A 91 -3.819 -7.294 0.738 1.00 1.23 C ATOM 166 CG2 VAL A 91 -1.707 -8.447 1.403 1.00 1.24 C ATOM 0 H VAL A 91 -0.073 -7.675 -0.615 1.00 0.98 H new ATOM 0 HA VAL A 91 -2.553 -8.919 -1.151 1.00 1.05 H new ATOM 0 HB VAL A 91 -1.854 -6.495 0.546 1.00 1.14 H new ATOM 0 HG11 VAL A 91 -3.941 -6.967 1.771 1.00 1.23 H new ATOM 0 HG12 VAL A 91 -4.245 -6.547 0.068 1.00 1.23 H new ATOM 0 HG13 VAL A 91 -4.333 -8.245 0.596 1.00 1.23 H new ATOM 0 HG21 VAL A 91 -1.874 -8.104 2.424 1.00 1.24 H new ATOM 0 HG22 VAL A 91 -2.159 -9.430 1.272 1.00 1.24 H new ATOM 0 HG23 VAL A 91 -0.636 -8.512 1.213 1.00 1.24 H new ATOM 176 N PHE A 92 -2.093 -5.893 -2.344 1.00 0.85 N ATOM 177 CA PHE A 92 -2.640 -4.894 -3.252 1.00 0.79 C ATOM 178 C PHE A 92 -2.678 -5.440 -4.673 1.00 0.77 C ATOM 179 O PHE A 92 -3.646 -5.225 -5.407 1.00 0.79 O ATOM 180 CB PHE A 92 -1.816 -3.600 -3.204 1.00 0.71 C ATOM 181 CG PHE A 92 -1.905 -2.855 -1.896 1.00 0.78 C ATOM 182 CD1 PHE A 92 -2.630 -3.359 -0.823 1.00 0.95 C ATOM 183 CD2 PHE A 92 -1.248 -1.646 -1.738 1.00 0.92 C ATOM 184 CE1 PHE A 92 -2.694 -2.676 0.373 1.00 1.02 C ATOM 185 CE2 PHE A 92 -1.311 -0.957 -0.542 1.00 1.06 C ATOM 186 CZ PHE A 92 -2.032 -1.472 0.516 1.00 1.02 C ATOM 0 H PHE A 92 -1.143 -5.701 -2.025 1.00 0.85 H new ATOM 0 HA PHE A 92 -3.656 -4.663 -2.933 1.00 0.79 H new ATOM 0 HB2 PHE A 92 -0.771 -3.841 -3.401 1.00 0.71 H new ATOM 0 HB3 PHE A 92 -2.148 -2.942 -4.007 1.00 0.71 H new ATOM 0 HD1 PHE A 92 -3.151 -4.299 -0.927 1.00 0.95 H new ATOM 0 HD2 PHE A 92 -0.679 -1.237 -2.560 1.00 0.92 H new ATOM 0 HE1 PHE A 92 -3.261 -3.082 1.197 1.00 1.02 H new ATOM 0 HE2 PHE A 92 -0.795 -0.014 -0.435 1.00 1.06 H new ATOM 0 HZ PHE A 92 -2.079 -0.936 1.452 1.00 1.02 H new ATOM 196 N ASP A 93 -1.629 -6.164 -5.049 1.00 0.75 N ATOM 197 CA ASP A 93 -1.541 -6.754 -6.378 1.00 0.75 C ATOM 198 C ASP A 93 -2.324 -8.060 -6.426 1.00 0.86 C ATOM 199 O ASP A 93 -1.752 -9.154 -6.415 1.00 0.95 O ATOM 200 CB ASP A 93 -0.081 -6.991 -6.773 1.00 0.72 C ATOM 201 CG ASP A 93 0.070 -7.303 -8.246 1.00 0.72 C ATOM 202 OD1 ASP A 93 -0.323 -6.460 -9.084 1.00 0.76 O ATOM 203 OD2 ASP A 93 0.582 -8.384 -8.584 1.00 0.79 O ATOM 0 H ASP A 93 -0.826 -6.356 -4.450 1.00 0.75 H new ATOM 0 HA ASP A 93 -1.977 -6.057 -7.093 1.00 0.75 H new ATOM 0 HB2 ASP A 93 0.508 -6.107 -6.529 1.00 0.72 H new ATOM 0 HB3 ASP A 93 0.323 -7.815 -6.186 1.00 0.72 H new ATOM 208 N LYS A 94 -3.641 -7.931 -6.478 1.00 0.97 N ATOM 209 CA LYS A 94 -4.532 -9.083 -6.506 1.00 1.10 C ATOM 210 C LYS A 94 -4.577 -9.710 -7.889 1.00 1.11 C ATOM 211 O LYS A 94 -4.924 -10.883 -8.035 1.00 1.21 O ATOM 212 CB LYS A 94 -5.948 -8.677 -6.085 1.00 1.23 C ATOM 213 CG LYS A 94 -6.024 -8.085 -4.690 1.00 1.28 C ATOM 214 CD LYS A 94 -6.752 -6.751 -4.696 1.00 1.11 C ATOM 215 CE LYS A 94 -6.784 -6.125 -3.314 1.00 1.19 C ATOM 216 NZ LYS A 94 -7.343 -4.748 -3.342 1.00 1.18 N ATOM 0 H LYS A 94 -4.121 -7.031 -6.502 1.00 0.97 H new ATOM 0 HA LYS A 94 -4.141 -9.818 -5.802 1.00 1.10 H new ATOM 0 HB2 LYS A 94 -6.336 -7.951 -6.800 1.00 1.23 H new ATOM 0 HB3 LYS A 94 -6.597 -9.551 -6.135 1.00 1.23 H new ATOM 0 HG2 LYS A 94 -6.538 -8.779 -4.025 1.00 1.28 H new ATOM 0 HG3 LYS A 94 -5.017 -7.951 -4.294 1.00 1.28 H new ATOM 0 HD2 LYS A 94 -6.261 -6.071 -5.393 1.00 1.11 H new ATOM 0 HD3 LYS A 94 -7.771 -6.894 -5.055 1.00 1.11 H new ATOM 0 HE2 LYS A 94 -7.383 -6.746 -2.648 1.00 1.19 H new ATOM 0 HE3 LYS A 94 -5.774 -6.099 -2.904 1.00 1.19 H new ATOM 0 HZ1 LYS A 94 -7.442 -4.394 -2.369 1.00 1.18 H new ATOM 0 HZ2 LYS A 94 -6.703 -4.124 -3.874 1.00 1.18 H new ATOM 0 HZ3 LYS A 94 -8.275 -4.761 -3.803 1.00 1.18 H new ATOM 230 N ASP A 95 -4.217 -8.934 -8.905 1.00 1.06 N ATOM 231 CA ASP A 95 -4.238 -9.430 -10.275 1.00 1.11 C ATOM 232 C ASP A 95 -3.021 -10.313 -10.551 1.00 1.06 C ATOM 233 O ASP A 95 -2.979 -11.031 -11.550 1.00 1.15 O ATOM 234 CB ASP A 95 -4.329 -8.265 -11.274 1.00 1.13 C ATOM 235 CG ASP A 95 -2.987 -7.820 -11.822 1.00 1.00 C ATOM 236 OD1 ASP A 95 -2.194 -7.211 -11.065 1.00 0.89 O ATOM 237 OD2 ASP A 95 -2.729 -8.037 -13.018 1.00 1.36 O ATOM 0 H ASP A 95 -3.909 -7.966 -8.807 1.00 1.06 H new ATOM 0 HA ASP A 95 -5.128 -10.046 -10.405 1.00 1.11 H new ATOM 0 HB2 ASP A 95 -4.970 -8.561 -12.105 1.00 1.13 H new ATOM 0 HB3 ASP A 95 -4.810 -7.417 -10.786 1.00 1.13 H new ATOM 242 N GLY A 96 -2.047 -10.263 -9.643 1.00 0.97 N ATOM 243 CA GLY A 96 -0.846 -11.070 -9.777 1.00 0.97 C ATOM 244 C GLY A 96 -0.030 -10.715 -11.000 1.00 0.91 C ATOM 245 O GLY A 96 0.146 -11.540 -11.899 1.00 1.02 O ATOM 0 H GLY A 96 -2.070 -9.673 -8.811 1.00 0.97 H new ATOM 0 HA2 GLY A 96 -0.230 -10.945 -8.887 1.00 0.97 H new ATOM 0 HA3 GLY A 96 -1.125 -12.122 -9.826 1.00 0.97 H new ATOM 249 N ASN A 97 0.482 -9.497 -11.029 1.00 0.84 N ATOM 250 CA ASN A 97 1.283 -9.041 -12.154 1.00 0.82 C ATOM 251 C ASN A 97 2.564 -8.368 -11.662 1.00 0.72 C ATOM 252 O ASN A 97 3.456 -8.056 -12.450 1.00 0.73 O ATOM 253 CB ASN A 97 0.459 -8.111 -13.061 1.00 0.86 C ATOM 254 CG ASN A 97 0.622 -6.634 -12.747 1.00 0.76 C ATOM 255 OD1 ASN A 97 0.068 -6.118 -11.765 1.00 0.73 O ATOM 256 ND2 ASN A 97 1.361 -5.938 -13.592 1.00 0.80 N ATOM 0 H ASN A 97 0.358 -8.806 -10.289 1.00 0.84 H new ATOM 0 HA ASN A 97 1.576 -9.904 -12.751 1.00 0.82 H new ATOM 0 HB2 ASN A 97 0.746 -8.285 -14.098 1.00 0.86 H new ATOM 0 HB3 ASN A 97 -0.595 -8.376 -12.973 1.00 0.86 H new ATOM 0 HD21 ASN A 97 1.493 -4.937 -13.449 1.00 0.80 H new ATOM 0 HD22 ASN A 97 1.799 -6.402 -14.388 1.00 0.80 H new ATOM 263 N GLY A 98 2.646 -8.153 -10.351 1.00 0.67 N ATOM 264 CA GLY A 98 3.827 -7.551 -9.762 1.00 0.64 C ATOM 265 C GLY A 98 3.862 -6.037 -9.863 1.00 0.57 C ATOM 266 O GLY A 98 4.918 -5.431 -9.668 1.00 0.62 O ATOM 0 H GLY A 98 1.910 -8.387 -9.684 1.00 0.67 H new ATOM 0 HA2 GLY A 98 3.883 -7.836 -8.712 1.00 0.64 H new ATOM 0 HA3 GLY A 98 4.712 -7.958 -10.250 1.00 0.64 H new ATOM 270 N TYR A 99 2.723 -5.416 -10.161 1.00 0.54 N ATOM 271 CA TYR A 99 2.655 -3.960 -10.277 1.00 0.51 C ATOM 272 C TYR A 99 1.319 -3.436 -9.770 1.00 0.50 C ATOM 273 O TYR A 99 0.257 -3.969 -10.107 1.00 0.63 O ATOM 274 CB TYR A 99 2.862 -3.508 -11.729 1.00 0.57 C ATOM 275 CG TYR A 99 4.261 -3.745 -12.256 1.00 0.64 C ATOM 276 CD1 TYR A 99 5.273 -2.824 -12.021 1.00 0.85 C ATOM 277 CD2 TYR A 99 4.570 -4.888 -12.986 1.00 0.74 C ATOM 278 CE1 TYR A 99 6.554 -3.037 -12.494 1.00 1.05 C ATOM 279 CE2 TYR A 99 5.847 -5.106 -13.461 1.00 0.92 C ATOM 280 CZ TYR A 99 6.833 -4.177 -13.214 1.00 1.04 C ATOM 281 OH TYR A 99 8.107 -4.392 -13.688 1.00 1.29 O ATOM 0 H TYR A 99 1.838 -5.895 -10.326 1.00 0.54 H new ATOM 0 HA TYR A 99 3.456 -3.549 -9.663 1.00 0.51 H new ATOM 0 HB2 TYR A 99 2.151 -4.033 -12.367 1.00 0.57 H new ATOM 0 HB3 TYR A 99 2.632 -2.445 -11.804 1.00 0.57 H new ATOM 0 HD1 TYR A 99 5.056 -1.927 -11.460 1.00 0.85 H new ATOM 0 HD2 TYR A 99 3.798 -5.617 -13.184 1.00 0.74 H new ATOM 0 HE1 TYR A 99 7.332 -2.313 -12.300 1.00 1.05 H new ATOM 0 HE2 TYR A 99 6.072 -6.000 -14.023 1.00 0.92 H new ATOM 0 HH TYR A 99 8.136 -5.242 -14.174 1.00 1.29 H new ATOM 291 N ILE A 100 1.379 -2.392 -8.961 1.00 0.40 N ATOM 292 CA ILE A 100 0.182 -1.777 -8.420 1.00 0.40 C ATOM 293 C ILE A 100 -0.411 -0.822 -9.447 1.00 0.44 C ATOM 294 O ILE A 100 0.193 0.195 -9.798 1.00 0.45 O ATOM 295 CB ILE A 100 0.491 -1.022 -7.103 1.00 0.37 C ATOM 296 CG1 ILE A 100 0.684 -2.018 -5.960 1.00 0.48 C ATOM 297 CG2 ILE A 100 -0.603 -0.014 -6.752 1.00 0.40 C ATOM 298 CD1 ILE A 100 1.013 -1.354 -4.645 1.00 0.56 C ATOM 0 H ILE A 100 2.250 -1.952 -8.664 1.00 0.40 H new ATOM 0 HA ILE A 100 -0.540 -2.562 -8.196 1.00 0.40 H new ATOM 0 HB ILE A 100 1.414 -0.461 -7.252 1.00 0.37 H new ATOM 0 HG12 ILE A 100 -0.224 -2.609 -5.844 1.00 0.48 H new ATOM 0 HG13 ILE A 100 1.484 -2.711 -6.221 1.00 0.48 H new ATOM 0 HG21 ILE A 100 -0.346 0.493 -5.822 1.00 0.40 H new ATOM 0 HG22 ILE A 100 -0.692 0.720 -7.553 1.00 0.40 H new ATOM 0 HG23 ILE A 100 -1.553 -0.535 -6.631 1.00 0.40 H new ATOM 0 HD11 ILE A 100 1.138 -2.115 -3.874 1.00 0.56 H new ATOM 0 HD12 ILE A 100 1.937 -0.785 -4.746 1.00 0.56 H new ATOM 0 HD13 ILE A 100 0.202 -0.682 -4.364 1.00 0.56 H new ATOM 310 N SER A 101 -1.576 -1.179 -9.952 1.00 0.51 N ATOM 311 CA SER A 101 -2.261 -0.367 -10.939 1.00 0.59 C ATOM 312 C SER A 101 -3.280 0.535 -10.260 1.00 0.58 C ATOM 313 O SER A 101 -3.526 0.404 -9.057 1.00 0.54 O ATOM 314 CB SER A 101 -2.955 -1.272 -11.957 1.00 0.70 C ATOM 315 OG SER A 101 -3.726 -2.264 -11.300 1.00 1.33 O ATOM 0 H SER A 101 -2.071 -2.032 -9.693 1.00 0.51 H new ATOM 0 HA SER A 101 -1.532 0.258 -11.455 1.00 0.59 H new ATOM 0 HB2 SER A 101 -3.597 -0.675 -12.604 1.00 0.70 H new ATOM 0 HB3 SER A 101 -2.211 -1.747 -12.596 1.00 0.70 H new ATOM 0 HG SER A 101 -3.143 -3.002 -11.024 1.00 1.33 H new ATOM 321 N ALA A 102 -3.881 1.437 -11.024 1.00 0.63 N ATOM 322 CA ALA A 102 -4.874 2.346 -10.478 1.00 0.65 C ATOM 323 C ALA A 102 -6.096 1.571 -10.005 1.00 0.66 C ATOM 324 O ALA A 102 -6.667 1.878 -8.963 1.00 0.64 O ATOM 325 CB ALA A 102 -5.271 3.392 -11.508 1.00 0.75 C ATOM 0 H ALA A 102 -3.698 1.557 -12.020 1.00 0.63 H new ATOM 0 HA ALA A 102 -4.436 2.861 -9.623 1.00 0.65 H new ATOM 0 HB1 ALA A 102 -6.015 4.062 -11.078 1.00 0.75 H new ATOM 0 HB2 ALA A 102 -4.392 3.966 -11.801 1.00 0.75 H new ATOM 0 HB3 ALA A 102 -5.691 2.898 -12.385 1.00 0.75 H new ATOM 331 N ALA A 103 -6.474 0.550 -10.766 1.00 0.73 N ATOM 332 CA ALA A 103 -7.625 -0.282 -10.428 1.00 0.78 C ATOM 333 C ALA A 103 -7.388 -1.045 -9.130 1.00 0.74 C ATOM 334 O ALA A 103 -8.232 -1.041 -8.230 1.00 0.78 O ATOM 335 CB ALA A 103 -7.924 -1.249 -11.561 1.00 0.89 C ATOM 0 H ALA A 103 -5.998 0.277 -11.626 1.00 0.73 H new ATOM 0 HA ALA A 103 -8.485 0.371 -10.283 1.00 0.78 H new ATOM 0 HB1 ALA A 103 -8.784 -1.864 -11.297 1.00 0.89 H new ATOM 0 HB2 ALA A 103 -8.144 -0.688 -12.469 1.00 0.89 H new ATOM 0 HB3 ALA A 103 -7.059 -1.890 -11.731 1.00 0.89 H new ATOM 341 N GLU A 104 -6.223 -1.676 -9.030 1.00 0.69 N ATOM 342 CA GLU A 104 -5.868 -2.458 -7.852 1.00 0.67 C ATOM 343 C GLU A 104 -5.790 -1.577 -6.609 1.00 0.60 C ATOM 344 O GLU A 104 -6.190 -1.996 -5.519 1.00 0.64 O ATOM 345 CB GLU A 104 -4.544 -3.195 -8.084 1.00 0.66 C ATOM 346 CG GLU A 104 -4.643 -4.280 -9.148 1.00 0.76 C ATOM 347 CD GLU A 104 -3.332 -5.004 -9.386 1.00 0.75 C ATOM 348 OE1 GLU A 104 -2.501 -4.532 -10.198 1.00 0.71 O ATOM 349 OE2 GLU A 104 -3.116 -6.067 -8.794 1.00 0.86 O ATOM 0 H GLU A 104 -5.505 -1.661 -9.755 1.00 0.69 H new ATOM 0 HA GLU A 104 -6.651 -3.197 -7.683 1.00 0.67 H new ATOM 0 HB2 GLU A 104 -3.781 -2.475 -8.378 1.00 0.66 H new ATOM 0 HB3 GLU A 104 -4.215 -3.643 -7.146 1.00 0.66 H new ATOM 0 HG2 GLU A 104 -5.402 -5.004 -8.850 1.00 0.76 H new ATOM 0 HG3 GLU A 104 -4.979 -3.833 -10.084 1.00 0.76 H new ATOM 356 N LEU A 105 -5.298 -0.351 -6.776 1.00 0.54 N ATOM 357 CA LEU A 105 -5.184 0.575 -5.655 1.00 0.49 C ATOM 358 C LEU A 105 -6.542 1.172 -5.298 1.00 0.51 C ATOM 359 O LEU A 105 -6.822 1.422 -4.126 1.00 0.51 O ATOM 360 CB LEU A 105 -4.190 1.689 -5.959 1.00 0.46 C ATOM 361 CG LEU A 105 -3.583 2.353 -4.721 1.00 0.45 C ATOM 362 CD1 LEU A 105 -2.459 1.507 -4.159 1.00 0.43 C ATOM 363 CD2 LEU A 105 -3.068 3.742 -5.050 1.00 0.47 C ATOM 0 H LEU A 105 -4.975 0.021 -7.669 1.00 0.54 H new ATOM 0 HA LEU A 105 -4.816 0.007 -4.800 1.00 0.49 H new ATOM 0 HB2 LEU A 105 -3.384 1.283 -6.570 1.00 0.46 H new ATOM 0 HB3 LEU A 105 -4.690 2.451 -6.557 1.00 0.46 H new ATOM 0 HG LEU A 105 -4.368 2.441 -3.970 1.00 0.45 H new ATOM 0 HD11 LEU A 105 -2.040 1.996 -3.279 1.00 0.43 H new ATOM 0 HD12 LEU A 105 -2.846 0.527 -3.880 1.00 0.43 H new ATOM 0 HD13 LEU A 105 -1.681 1.388 -4.913 1.00 0.43 H new ATOM 0 HD21 LEU A 105 -2.641 4.193 -4.154 1.00 0.47 H new ATOM 0 HD22 LEU A 105 -2.301 3.672 -5.822 1.00 0.47 H new ATOM 0 HD23 LEU A 105 -3.891 4.359 -5.411 1.00 0.47 H new ATOM 375 N ARG A 106 -7.385 1.396 -6.305 1.00 0.56 N ATOM 376 CA ARG A 106 -8.722 1.945 -6.071 1.00 0.61 C ATOM 377 C ARG A 106 -9.498 1.026 -5.141 1.00 0.66 C ATOM 378 O ARG A 106 -10.241 1.482 -4.276 1.00 0.86 O ATOM 379 CB ARG A 106 -9.490 2.116 -7.388 1.00 0.66 C ATOM 380 CG ARG A 106 -9.153 3.396 -8.133 1.00 0.79 C ATOM 381 CD ARG A 106 -9.865 3.468 -9.479 1.00 0.86 C ATOM 382 NE ARG A 106 -9.311 4.521 -10.333 1.00 1.16 N ATOM 383 CZ ARG A 106 -10.045 5.377 -11.048 1.00 1.52 C ATOM 384 NH1 ARG A 106 -11.371 5.291 -11.058 1.00 1.58 N ATOM 385 NH2 ARG A 106 -9.443 6.309 -11.777 1.00 2.15 N ATOM 0 H ARG A 106 -7.169 1.208 -7.284 1.00 0.56 H new ATOM 0 HA ARG A 106 -8.611 2.927 -5.611 1.00 0.61 H new ATOM 0 HB2 ARG A 106 -9.278 1.264 -8.034 1.00 0.66 H new ATOM 0 HB3 ARG A 106 -10.560 2.099 -7.179 1.00 0.66 H new ATOM 0 HG2 ARG A 106 -9.435 4.256 -7.525 1.00 0.79 H new ATOM 0 HG3 ARG A 106 -8.076 3.454 -8.287 1.00 0.79 H new ATOM 0 HD2 ARG A 106 -9.781 2.507 -9.986 1.00 0.86 H new ATOM 0 HD3 ARG A 106 -10.927 3.652 -9.319 1.00 0.86 H new ATOM 0 HE ARG A 106 -8.296 4.606 -10.385 1.00 1.16 H new ATOM 0 HH11 ARG A 106 -11.839 4.565 -10.515 1.00 1.58 H new ATOM 0 HH12 ARG A 106 -11.921 5.951 -11.608 1.00 1.58 H new ATOM 0 HH21 ARG A 106 -8.425 6.368 -11.789 1.00 2.15 H new ATOM 0 HH22 ARG A 106 -9.999 6.966 -12.325 1.00 2.15 H new ATOM 399 N HIS A 107 -9.291 -0.273 -5.318 1.00 0.65 N ATOM 400 CA HIS A 107 -9.946 -1.293 -4.504 1.00 0.70 C ATOM 401 C HIS A 107 -9.452 -1.227 -3.057 1.00 0.75 C ATOM 402 O HIS A 107 -10.126 -1.668 -2.130 1.00 1.06 O ATOM 403 CB HIS A 107 -9.660 -2.677 -5.094 1.00 0.71 C ATOM 404 CG HIS A 107 -10.580 -3.754 -4.607 1.00 0.85 C ATOM 405 ND1 HIS A 107 -10.120 -4.796 -3.835 1.00 1.03 N ATOM 406 CD2 HIS A 107 -11.909 -3.914 -4.818 1.00 1.00 C ATOM 407 CE1 HIS A 107 -11.174 -5.562 -3.599 1.00 1.21 C ATOM 408 NE2 HIS A 107 -12.277 -5.067 -4.173 1.00 1.18 N ATOM 0 H HIS A 107 -8.665 -0.650 -6.029 1.00 0.65 H new ATOM 0 HA HIS A 107 -11.021 -1.111 -4.507 1.00 0.70 H new ATOM 0 HB2 HIS A 107 -9.730 -2.618 -6.180 1.00 0.71 H new ATOM 0 HB3 HIS A 107 -8.634 -2.956 -4.856 1.00 0.71 H new ATOM 0 HD2 HIS A 107 -12.554 -3.259 -5.385 1.00 1.00 H new ATOM 0 HE1 HIS A 107 -11.147 -6.471 -3.017 1.00 1.21 H new ATOM 0 HE2 HIS A 107 -13.213 -5.470 -4.138 1.00 1.18 H new ATOM 416 N VAL A 108 -8.265 -0.667 -2.875 1.00 0.59 N ATOM 417 CA VAL A 108 -7.673 -0.536 -1.553 1.00 0.63 C ATOM 418 C VAL A 108 -8.214 0.701 -0.844 1.00 0.70 C ATOM 419 O VAL A 108 -8.636 0.634 0.311 1.00 0.72 O ATOM 420 CB VAL A 108 -6.132 -0.437 -1.640 1.00 0.63 C ATOM 421 CG1 VAL A 108 -5.504 -0.259 -0.264 1.00 0.68 C ATOM 422 CG2 VAL A 108 -5.553 -1.660 -2.333 1.00 0.68 C ATOM 0 H VAL A 108 -7.691 -0.294 -3.631 1.00 0.59 H new ATOM 0 HA VAL A 108 -7.939 -1.427 -0.985 1.00 0.63 H new ATOM 0 HB VAL A 108 -5.893 0.446 -2.232 1.00 0.63 H new ATOM 0 HG11 VAL A 108 -4.421 -0.193 -0.364 1.00 0.68 H new ATOM 0 HG12 VAL A 108 -5.882 0.655 0.193 1.00 0.68 H new ATOM 0 HG13 VAL A 108 -5.759 -1.112 0.365 1.00 0.68 H new ATOM 0 HG21 VAL A 108 -4.468 -1.570 -2.384 1.00 0.68 H new ATOM 0 HG22 VAL A 108 -5.817 -2.556 -1.771 1.00 0.68 H new ATOM 0 HG23 VAL A 108 -5.958 -1.732 -3.342 1.00 0.68 H new ATOM 432 N MET A 109 -8.226 1.817 -1.559 1.00 0.82 N ATOM 433 CA MET A 109 -8.696 3.083 -1.003 1.00 0.99 C ATOM 434 C MET A 109 -10.192 3.053 -0.689 1.00 0.97 C ATOM 435 O MET A 109 -10.646 3.719 0.242 1.00 1.04 O ATOM 436 CB MET A 109 -8.364 4.234 -1.954 1.00 1.26 C ATOM 437 CG MET A 109 -6.875 4.362 -2.242 1.00 1.46 C ATOM 438 SD MET A 109 -5.863 4.258 -0.747 1.00 1.60 S ATOM 439 CE MET A 109 -4.313 3.656 -1.422 1.00 1.52 C ATOM 0 H MET A 109 -7.915 1.874 -2.529 1.00 0.82 H new ATOM 0 HA MET A 109 -8.175 3.242 -0.059 1.00 0.99 H new ATOM 0 HB2 MET A 109 -8.898 4.087 -2.893 1.00 1.26 H new ATOM 0 HB3 MET A 109 -8.726 5.168 -1.524 1.00 1.26 H new ATOM 0 HG2 MET A 109 -6.574 3.576 -2.935 1.00 1.46 H new ATOM 0 HG3 MET A 109 -6.686 5.314 -2.738 1.00 1.46 H new ATOM 0 HE1 MET A 109 -3.491 3.965 -0.776 1.00 1.52 H new ATOM 0 HE2 MET A 109 -4.340 2.568 -1.480 1.00 1.52 H new ATOM 0 HE3 MET A 109 -4.166 4.069 -2.420 1.00 1.52 H new ATOM 449 N THR A 110 -10.958 2.277 -1.450 1.00 0.98 N ATOM 450 CA THR A 110 -12.392 2.174 -1.209 1.00 1.08 C ATOM 451 C THR A 110 -12.655 1.480 0.125 1.00 1.03 C ATOM 452 O THR A 110 -13.516 1.897 0.898 1.00 1.13 O ATOM 453 CB THR A 110 -13.108 1.411 -2.344 1.00 1.19 C ATOM 454 OG1 THR A 110 -12.223 0.439 -2.909 1.00 1.27 O ATOM 455 CG2 THR A 110 -13.573 2.369 -3.428 1.00 1.67 C ATOM 0 H THR A 110 -10.614 1.717 -2.230 1.00 0.98 H new ATOM 0 HA THR A 110 -12.793 3.187 -1.178 1.00 1.08 H new ATOM 0 HB THR A 110 -13.981 0.910 -1.925 1.00 1.19 H new ATOM 0 HG1 THR A 110 -11.661 0.865 -3.590 1.00 1.27 H new ATOM 0 HG21 THR A 110 -14.075 1.809 -4.217 1.00 1.67 H new ATOM 0 HG22 THR A 110 -14.266 3.094 -3.000 1.00 1.67 H new ATOM 0 HG23 THR A 110 -12.712 2.892 -3.845 1.00 1.67 H new ATOM 463 N ASN A 111 -11.883 0.432 0.393 1.00 0.96 N ATOM 464 CA ASN A 111 -12.000 -0.318 1.640 1.00 1.02 C ATOM 465 C ASN A 111 -11.430 0.510 2.790 1.00 0.98 C ATOM 466 O ASN A 111 -11.847 0.373 3.943 1.00 1.10 O ATOM 467 CB ASN A 111 -11.267 -1.661 1.525 1.00 1.06 C ATOM 468 CG ASN A 111 -11.351 -2.499 2.792 1.00 1.39 C ATOM 469 OD1 ASN A 111 -10.468 -2.450 3.648 1.00 1.74 O ATOM 470 ND2 ASN A 111 -12.413 -3.281 2.914 1.00 1.85 N ATOM 0 H ASN A 111 -11.165 0.081 -0.241 1.00 0.96 H new ATOM 0 HA ASN A 111 -13.052 -0.522 1.839 1.00 1.02 H new ATOM 0 HB2 ASN A 111 -11.687 -2.227 0.694 1.00 1.06 H new ATOM 0 HB3 ASN A 111 -10.219 -1.477 1.288 1.00 1.06 H new ATOM 0 HD21 ASN A 111 -12.520 -3.870 3.739 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -13.124 -3.294 2.182 1.00 1.85 H new ATOM 477 N LEU A 112 -10.481 1.378 2.450 1.00 0.91 N ATOM 478 CA LEU A 112 -9.845 2.265 3.418 1.00 0.95 C ATOM 479 C LEU A 112 -10.881 3.217 4.000 1.00 1.03 C ATOM 480 O LEU A 112 -10.878 3.510 5.195 1.00 1.23 O ATOM 481 CB LEU A 112 -8.718 3.059 2.735 1.00 0.92 C ATOM 482 CG LEU A 112 -8.081 4.179 3.567 1.00 0.87 C ATOM 483 CD1 LEU A 112 -7.289 3.599 4.728 1.00 1.19 C ATOM 484 CD2 LEU A 112 -7.188 5.053 2.688 1.00 0.87 C ATOM 0 H LEU A 112 -10.132 1.486 1.498 1.00 0.91 H new ATOM 0 HA LEU A 112 -9.417 1.671 4.226 1.00 0.95 H new ATOM 0 HB2 LEU A 112 -7.934 2.360 2.443 1.00 0.92 H new ATOM 0 HB3 LEU A 112 -9.113 3.495 1.818 1.00 0.92 H new ATOM 0 HG LEU A 112 -8.877 4.801 3.976 1.00 0.87 H new ATOM 0 HD11 LEU A 112 -6.845 4.409 5.306 1.00 1.19 H new ATOM 0 HD12 LEU A 112 -7.954 3.019 5.368 1.00 1.19 H new ATOM 0 HD13 LEU A 112 -6.500 2.953 4.343 1.00 1.19 H new ATOM 0 HD21 LEU A 112 -6.743 5.843 3.293 1.00 0.87 H new ATOM 0 HD22 LEU A 112 -6.398 4.442 2.251 1.00 0.87 H new ATOM 0 HD23 LEU A 112 -7.785 5.498 1.892 1.00 0.87 H new ATOM 496 N GLY A 113 -11.775 3.685 3.142 1.00 1.01 N ATOM 497 CA GLY A 113 -12.816 4.594 3.569 1.00 1.13 C ATOM 498 C GLY A 113 -12.782 5.885 2.787 1.00 1.03 C ATOM 499 O GLY A 113 -13.821 6.508 2.554 1.00 1.09 O ATOM 0 H GLY A 113 -11.797 3.449 2.150 1.00 1.01 H new ATOM 0 HA2 GLY A 113 -13.789 4.118 3.445 1.00 1.13 H new ATOM 0 HA3 GLY A 113 -12.699 4.808 4.631 1.00 1.13 H new ATOM 503 N GLU A 114 -11.584 6.276 2.373 1.00 1.05 N ATOM 504 CA GLU A 114 -11.398 7.498 1.609 1.00 1.02 C ATOM 505 C GLU A 114 -11.679 7.257 0.131 1.00 0.95 C ATOM 506 O GLU A 114 -10.804 6.844 -0.628 1.00 1.06 O ATOM 507 CB GLU A 114 -9.979 8.037 1.790 1.00 1.16 C ATOM 508 CG GLU A 114 -9.915 9.352 2.552 1.00 1.42 C ATOM 509 CD GLU A 114 -10.265 9.197 4.016 1.00 1.57 C ATOM 510 OE1 GLU A 114 -11.469 9.210 4.355 1.00 2.09 O ATOM 511 OE2 GLU A 114 -9.344 9.068 4.841 1.00 2.07 O ATOM 0 H GLU A 114 -10.723 5.760 2.556 1.00 1.05 H new ATOM 0 HA GLU A 114 -12.104 8.239 1.983 1.00 1.02 H new ATOM 0 HB2 GLU A 114 -9.382 7.293 2.317 1.00 1.16 H new ATOM 0 HB3 GLU A 114 -9.524 8.174 0.809 1.00 1.16 H new ATOM 0 HG2 GLU A 114 -8.912 9.769 2.465 1.00 1.42 H new ATOM 0 HG3 GLU A 114 -10.598 10.067 2.093 1.00 1.42 H new ATOM 518 N LYS A 115 -12.912 7.509 -0.261 1.00 0.95 N ATOM 519 CA LYS A 115 -13.331 7.333 -1.638 1.00 1.00 C ATOM 520 C LYS A 115 -13.059 8.613 -2.415 1.00 0.90 C ATOM 521 O LYS A 115 -13.849 9.559 -2.375 1.00 1.05 O ATOM 522 CB LYS A 115 -14.816 6.977 -1.685 1.00 1.22 C ATOM 523 CG LYS A 115 -15.205 5.923 -0.657 1.00 1.39 C ATOM 524 CD LYS A 115 -16.695 5.933 -0.380 1.00 1.68 C ATOM 525 CE LYS A 115 -17.027 5.184 0.901 1.00 1.86 C ATOM 526 NZ LYS A 115 -16.727 5.995 2.113 1.00 1.92 N ATOM 0 H LYS A 115 -13.649 7.840 0.362 1.00 0.95 H new ATOM 0 HA LYS A 115 -12.768 6.519 -2.094 1.00 1.00 H new ATOM 0 HB2 LYS A 115 -15.406 7.878 -1.516 1.00 1.22 H new ATOM 0 HB3 LYS A 115 -15.066 6.615 -2.682 1.00 1.22 H new ATOM 0 HG2 LYS A 115 -14.908 4.938 -1.016 1.00 1.39 H new ATOM 0 HG3 LYS A 115 -14.661 6.101 0.271 1.00 1.39 H new ATOM 0 HD2 LYS A 115 -17.045 6.962 -0.302 1.00 1.68 H new ATOM 0 HD3 LYS A 115 -17.225 5.478 -1.217 1.00 1.68 H new ATOM 0 HE2 LYS A 115 -18.082 4.911 0.899 1.00 1.86 H new ATOM 0 HE3 LYS A 115 -16.458 4.255 0.936 1.00 1.86 H new ATOM 0 HZ1 LYS A 115 -17.091 5.507 2.956 1.00 1.92 H new ATOM 0 HZ2 LYS A 115 -15.698 6.119 2.202 1.00 1.92 H new ATOM 0 HZ3 LYS A 115 -17.182 6.926 2.029 1.00 1.92 H new ATOM 540 N LEU A 116 -11.923 8.651 -3.087 1.00 0.84 N ATOM 541 CA LEU A 116 -11.531 9.819 -3.858 1.00 0.80 C ATOM 542 C LEU A 116 -12.103 9.764 -5.267 1.00 0.83 C ATOM 543 O LEU A 116 -12.539 8.707 -5.732 1.00 0.92 O ATOM 544 CB LEU A 116 -10.008 9.924 -3.935 1.00 0.81 C ATOM 545 CG LEU A 116 -9.253 9.488 -2.679 1.00 0.90 C ATOM 546 CD1 LEU A 116 -8.605 8.129 -2.895 1.00 1.27 C ATOM 547 CD2 LEU A 116 -8.207 10.526 -2.305 1.00 1.22 C ATOM 0 H LEU A 116 -11.252 7.883 -3.115 1.00 0.84 H new ATOM 0 HA LEU A 116 -11.930 10.697 -3.350 1.00 0.80 H new ATOM 0 HB2 LEU A 116 -9.662 9.320 -4.774 1.00 0.81 H new ATOM 0 HB3 LEU A 116 -9.743 10.958 -4.156 1.00 0.81 H new ATOM 0 HG LEU A 116 -9.964 9.403 -1.857 1.00 0.90 H new ATOM 0 HD11 LEU A 116 -8.071 7.833 -1.992 1.00 1.27 H new ATOM 0 HD12 LEU A 116 -9.375 7.391 -3.121 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -7.904 8.188 -3.728 1.00 1.27 H new ATOM 0 HD21 LEU A 116 -7.677 10.202 -1.409 1.00 1.22 H new ATOM 0 HD22 LEU A 116 -7.498 10.639 -3.125 1.00 1.22 H new ATOM 0 HD23 LEU A 116 -8.695 11.481 -2.113 1.00 1.22 H new ATOM 559 N THR A 117 -12.099 10.904 -5.935 1.00 0.82 N ATOM 560 CA THR A 117 -12.596 10.995 -7.296 1.00 0.90 C ATOM 561 C THR A 117 -11.528 10.522 -8.275 1.00 0.88 C ATOM 562 O THR A 117 -10.373 10.338 -7.893 1.00 0.81 O ATOM 563 CB THR A 117 -12.990 12.439 -7.644 1.00 0.96 C ATOM 564 OG1 THR A 117 -11.881 13.316 -7.392 1.00 0.95 O ATOM 565 CG2 THR A 117 -14.190 12.879 -6.827 1.00 1.08 C ATOM 0 H THR A 117 -11.755 11.785 -5.554 1.00 0.82 H new ATOM 0 HA THR A 117 -13.478 10.360 -7.373 1.00 0.90 H new ATOM 0 HB THR A 117 -13.257 12.483 -8.700 1.00 0.96 H new ATOM 0 HG1 THR A 117 -11.772 13.436 -6.426 1.00 0.95 H new ATOM 0 HG21 THR A 117 -14.452 13.904 -7.089 1.00 1.08 H new ATOM 0 HG22 THR A 117 -15.034 12.223 -7.038 1.00 1.08 H new ATOM 0 HG23 THR A 117 -13.947 12.827 -5.766 1.00 1.08 H new ATOM 573 N ASP A 118 -11.910 10.342 -9.534 1.00 0.99 N ATOM 574 CA ASP A 118 -10.974 9.896 -10.563 1.00 1.02 C ATOM 575 C ASP A 118 -9.786 10.845 -10.668 1.00 0.94 C ATOM 576 O ASP A 118 -8.653 10.417 -10.892 1.00 0.90 O ATOM 577 CB ASP A 118 -11.676 9.784 -11.915 1.00 1.20 C ATOM 578 CG ASP A 118 -11.772 8.353 -12.392 1.00 1.43 C ATOM 579 OD1 ASP A 118 -12.646 7.608 -11.894 1.00 1.94 O ATOM 580 OD2 ASP A 118 -10.958 7.955 -13.253 1.00 1.99 O ATOM 0 H ASP A 118 -12.861 10.498 -9.868 1.00 0.99 H new ATOM 0 HA ASP A 118 -10.604 8.912 -10.276 1.00 1.02 H new ATOM 0 HB2 ASP A 118 -12.677 10.208 -11.839 1.00 1.20 H new ATOM 0 HB3 ASP A 118 -11.135 10.376 -12.653 1.00 1.20 H new ATOM 585 N GLU A 119 -10.052 12.135 -10.484 1.00 0.95 N ATOM 586 CA GLU A 119 -9.012 13.153 -10.543 1.00 0.94 C ATOM 587 C GLU A 119 -8.025 12.974 -9.391 1.00 0.80 C ATOM 588 O GLU A 119 -6.810 12.992 -9.583 1.00 0.79 O ATOM 589 CB GLU A 119 -9.645 14.545 -10.485 1.00 1.05 C ATOM 590 CG GLU A 119 -8.643 15.667 -10.278 1.00 1.48 C ATOM 591 CD GLU A 119 -9.307 17.010 -10.068 1.00 2.06 C ATOM 592 OE1 GLU A 119 -10.432 17.050 -9.528 1.00 2.51 O ATOM 593 OE2 GLU A 119 -8.711 18.031 -10.446 1.00 2.75 O ATOM 0 H GLU A 119 -10.985 12.500 -10.292 1.00 0.95 H new ATOM 0 HA GLU A 119 -8.469 13.048 -11.482 1.00 0.94 H new ATOM 0 HB2 GLU A 119 -10.191 14.724 -11.411 1.00 1.05 H new ATOM 0 HB3 GLU A 119 -10.375 14.568 -9.676 1.00 1.05 H new ATOM 0 HG2 GLU A 119 -8.018 15.436 -9.415 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -7.983 15.724 -11.144 1.00 1.48 H new ATOM 600 N GLU A 120 -8.561 12.784 -8.194 1.00 0.73 N ATOM 601 CA GLU A 120 -7.736 12.599 -7.010 1.00 0.63 C ATOM 602 C GLU A 120 -6.971 11.285 -7.089 1.00 0.57 C ATOM 603 O GLU A 120 -5.818 11.205 -6.665 1.00 0.52 O ATOM 604 CB GLU A 120 -8.598 12.631 -5.755 1.00 0.64 C ATOM 605 CG GLU A 120 -9.259 13.973 -5.518 1.00 0.72 C ATOM 606 CD GLU A 120 -10.306 13.911 -4.433 1.00 0.81 C ATOM 607 OE1 GLU A 120 -11.363 13.288 -4.660 1.00 0.98 O ATOM 608 OE2 GLU A 120 -10.077 14.488 -3.346 1.00 1.14 O ATOM 0 H GLU A 120 -9.565 12.754 -8.017 1.00 0.73 H new ATOM 0 HA GLU A 120 -7.016 13.416 -6.962 1.00 0.63 H new ATOM 0 HB2 GLU A 120 -9.368 11.863 -5.831 1.00 0.64 H new ATOM 0 HB3 GLU A 120 -7.981 12.380 -4.892 1.00 0.64 H new ATOM 0 HG2 GLU A 120 -8.500 14.707 -5.246 1.00 0.72 H new ATOM 0 HG3 GLU A 120 -9.719 14.318 -6.444 1.00 0.72 H new ATOM 615 N VAL A 121 -7.618 10.256 -7.634 1.00 0.62 N ATOM 616 CA VAL A 121 -6.990 8.946 -7.792 1.00 0.63 C ATOM 617 C VAL A 121 -5.795 9.050 -8.739 1.00 0.62 C ATOM 618 O VAL A 121 -4.797 8.341 -8.582 1.00 0.58 O ATOM 619 CB VAL A 121 -7.983 7.877 -8.310 1.00 0.77 C ATOM 620 CG1 VAL A 121 -7.267 6.570 -8.617 1.00 0.86 C ATOM 621 CG2 VAL A 121 -9.083 7.638 -7.287 1.00 0.81 C ATOM 0 H VAL A 121 -8.578 10.305 -7.974 1.00 0.62 H new ATOM 0 HA VAL A 121 -6.653 8.627 -6.806 1.00 0.63 H new ATOM 0 HB VAL A 121 -8.428 8.250 -9.232 1.00 0.77 H new ATOM 0 HG11 VAL A 121 -7.988 5.837 -8.979 1.00 0.86 H new ATOM 0 HG12 VAL A 121 -6.509 6.741 -9.381 1.00 0.86 H new ATOM 0 HG13 VAL A 121 -6.791 6.194 -7.711 1.00 0.86 H new ATOM 0 HG21 VAL A 121 -9.774 6.884 -7.665 1.00 0.81 H new ATOM 0 HG22 VAL A 121 -8.642 7.290 -6.353 1.00 0.81 H new ATOM 0 HG23 VAL A 121 -9.623 8.568 -7.109 1.00 0.81 H new ATOM 631 N ASP A 122 -5.895 9.954 -9.706 1.00 0.71 N ATOM 632 CA ASP A 122 -4.815 10.166 -10.659 1.00 0.77 C ATOM 633 C ASP A 122 -3.572 10.649 -9.929 1.00 0.69 C ATOM 634 O ASP A 122 -2.500 10.060 -10.050 1.00 0.68 O ATOM 635 CB ASP A 122 -5.218 11.182 -11.727 1.00 0.93 C ATOM 636 CG ASP A 122 -4.084 11.482 -12.686 1.00 1.11 C ATOM 637 OD1 ASP A 122 -3.930 10.749 -13.684 1.00 1.38 O ATOM 638 OD2 ASP A 122 -3.341 12.455 -12.449 1.00 1.34 O ATOM 0 H ASP A 122 -6.710 10.550 -9.850 1.00 0.71 H new ATOM 0 HA ASP A 122 -4.602 9.218 -11.153 1.00 0.77 H new ATOM 0 HB2 ASP A 122 -6.073 10.800 -12.285 1.00 0.93 H new ATOM 0 HB3 ASP A 122 -5.539 12.106 -11.245 1.00 0.93 H new ATOM 643 N GLU A 123 -3.731 11.711 -9.141 1.00 0.66 N ATOM 644 CA GLU A 123 -2.616 12.258 -8.381 1.00 0.65 C ATOM 645 C GLU A 123 -2.191 11.278 -7.301 1.00 0.54 C ATOM 646 O GLU A 123 -1.037 11.264 -6.881 1.00 0.58 O ATOM 647 CB GLU A 123 -2.977 13.598 -7.739 1.00 0.71 C ATOM 648 CG GLU A 123 -1.755 14.379 -7.283 1.00 0.94 C ATOM 649 CD GLU A 123 -2.062 15.395 -6.204 1.00 1.35 C ATOM 650 OE1 GLU A 123 -3.183 15.376 -5.648 1.00 1.92 O ATOM 651 OE2 GLU A 123 -1.180 16.225 -5.903 1.00 1.94 O ATOM 0 H GLU A 123 -4.615 12.204 -9.015 1.00 0.66 H new ATOM 0 HA GLU A 123 -1.792 12.423 -9.076 1.00 0.65 H new ATOM 0 HB2 GLU A 123 -3.541 14.198 -8.453 1.00 0.71 H new ATOM 0 HB3 GLU A 123 -3.630 13.422 -6.884 1.00 0.71 H new ATOM 0 HG2 GLU A 123 -1.004 13.681 -6.912 1.00 0.94 H new ATOM 0 HG3 GLU A 123 -1.319 14.891 -8.141 1.00 0.94 H new ATOM 658 N MET A 124 -3.135 10.459 -6.865 1.00 0.46 N ATOM 659 CA MET A 124 -2.885 9.466 -5.834 1.00 0.42 C ATOM 660 C MET A 124 -1.688 8.601 -6.198 1.00 0.39 C ATOM 661 O MET A 124 -0.744 8.480 -5.420 1.00 0.41 O ATOM 662 CB MET A 124 -4.126 8.604 -5.625 1.00 0.48 C ATOM 663 CG MET A 124 -4.448 8.333 -4.167 1.00 0.66 C ATOM 664 SD MET A 124 -3.976 6.676 -3.651 1.00 0.65 S ATOM 665 CE MET A 124 -3.197 7.043 -2.085 1.00 0.53 C ATOM 0 H MET A 124 -4.093 10.464 -7.215 1.00 0.46 H new ATOM 0 HA MET A 124 -2.657 9.983 -4.902 1.00 0.42 H new ATOM 0 HB2 MET A 124 -4.980 9.096 -6.090 1.00 0.48 H new ATOM 0 HB3 MET A 124 -3.987 7.653 -6.139 1.00 0.48 H new ATOM 0 HG2 MET A 124 -3.934 9.064 -3.543 1.00 0.66 H new ATOM 0 HG3 MET A 124 -5.517 8.470 -4.003 1.00 0.66 H new ATOM 0 HE1 MET A 124 -2.661 6.163 -1.730 1.00 0.53 H new ATOM 0 HE2 MET A 124 -2.496 7.868 -2.212 1.00 0.53 H new ATOM 0 HE3 MET A 124 -3.958 7.322 -1.357 1.00 0.53 H new ATOM 675 N ILE A 125 -1.714 8.008 -7.385 1.00 0.39 N ATOM 676 CA ILE A 125 -0.605 7.177 -7.814 1.00 0.42 C ATOM 677 C ILE A 125 0.442 8.014 -8.543 1.00 0.47 C ATOM 678 O ILE A 125 1.588 7.609 -8.660 1.00 0.49 O ATOM 679 CB ILE A 125 -1.054 5.988 -8.685 1.00 0.48 C ATOM 680 CG1 ILE A 125 -2.194 5.246 -7.995 1.00 0.51 C ATOM 681 CG2 ILE A 125 0.110 5.032 -8.906 1.00 0.85 C ATOM 682 CD1 ILE A 125 -2.082 3.742 -8.099 1.00 0.79 C ATOM 0 H ILE A 125 -2.479 8.087 -8.055 1.00 0.39 H new ATOM 0 HA ILE A 125 -0.159 6.755 -6.913 1.00 0.42 H new ATOM 0 HB ILE A 125 -1.395 6.367 -9.649 1.00 0.48 H new ATOM 0 HG12 ILE A 125 -2.217 5.529 -6.943 1.00 0.51 H new ATOM 0 HG13 ILE A 125 -3.141 5.563 -8.432 1.00 0.51 H new ATOM 0 HG21 ILE A 125 -0.218 4.195 -9.523 1.00 0.85 H new ATOM 0 HG22 ILE A 125 0.922 5.557 -9.409 1.00 0.85 H new ATOM 0 HG23 ILE A 125 0.461 4.658 -7.944 1.00 0.85 H new ATOM 0 HD11 ILE A 125 -2.925 3.278 -7.587 1.00 0.79 H new ATOM 0 HD12 ILE A 125 -2.089 3.448 -9.149 1.00 0.79 H new ATOM 0 HD13 ILE A 125 -1.151 3.414 -7.637 1.00 0.79 H new ATOM 694 N ARG A 126 0.052 9.198 -9.015 1.00 0.55 N ATOM 695 CA ARG A 126 0.994 10.089 -9.692 1.00 0.66 C ATOM 696 C ARG A 126 2.054 10.540 -8.692 1.00 0.65 C ATOM 697 O ARG A 126 3.225 10.707 -9.030 1.00 0.76 O ATOM 698 CB ARG A 126 0.279 11.307 -10.274 1.00 0.79 C ATOM 699 CG ARG A 126 1.107 12.065 -11.298 1.00 1.28 C ATOM 700 CD ARG A 126 0.705 13.528 -11.366 1.00 1.39 C ATOM 701 NE ARG A 126 -0.717 13.703 -11.671 1.00 1.14 N ATOM 702 CZ ARG A 126 -1.309 14.886 -11.825 1.00 1.24 C ATOM 703 NH1 ARG A 126 -0.610 16.011 -11.723 1.00 1.70 N ATOM 704 NH2 ARG A 126 -2.604 14.939 -12.101 1.00 1.29 N ATOM 0 H ARG A 126 -0.899 9.560 -8.942 1.00 0.55 H new ATOM 0 HA ARG A 126 1.460 9.548 -10.516 1.00 0.66 H new ATOM 0 HB2 ARG A 126 -0.652 10.984 -10.739 1.00 0.79 H new ATOM 0 HB3 ARG A 126 0.012 11.984 -9.462 1.00 0.79 H new ATOM 0 HG2 ARG A 126 2.164 11.988 -11.042 1.00 1.28 H new ATOM 0 HG3 ARG A 126 0.983 11.607 -12.279 1.00 1.28 H new ATOM 0 HD2 ARG A 126 0.931 14.009 -10.414 1.00 1.39 H new ATOM 0 HD3 ARG A 126 1.302 14.031 -12.127 1.00 1.39 H new ATOM 0 HE ARG A 126 -1.290 12.865 -11.772 1.00 1.14 H new ATOM 0 HH11 ARG A 126 0.390 15.974 -11.525 1.00 1.70 H new ATOM 0 HH12 ARG A 126 -1.073 16.912 -11.843 1.00 1.70 H new ATOM 0 HH21 ARG A 126 -3.141 14.077 -12.194 1.00 1.29 H new ATOM 0 HH22 ARG A 126 -3.064 15.842 -12.220 1.00 1.29 H new ATOM 718 N GLU A 127 1.613 10.723 -7.452 1.00 0.61 N ATOM 719 CA GLU A 127 2.487 11.119 -6.358 1.00 0.69 C ATOM 720 C GLU A 127 3.340 9.921 -5.937 1.00 0.62 C ATOM 721 O GLU A 127 4.362 10.062 -5.267 1.00 0.72 O ATOM 722 CB GLU A 127 1.633 11.626 -5.184 1.00 0.82 C ATOM 723 CG GLU A 127 2.429 12.181 -4.014 1.00 0.89 C ATOM 724 CD GLU A 127 1.736 13.351 -3.341 1.00 1.04 C ATOM 725 OE1 GLU A 127 0.835 13.125 -2.501 1.00 1.37 O ATOM 726 OE2 GLU A 127 2.087 14.510 -3.647 1.00 1.55 O ATOM 0 H GLU A 127 0.638 10.600 -7.179 1.00 0.61 H new ATOM 0 HA GLU A 127 3.150 11.923 -6.676 1.00 0.69 H new ATOM 0 HB2 GLU A 127 0.961 12.402 -5.550 1.00 0.82 H new ATOM 0 HB3 GLU A 127 1.009 10.807 -4.826 1.00 0.82 H new ATOM 0 HG2 GLU A 127 2.592 11.390 -3.282 1.00 0.89 H new ATOM 0 HG3 GLU A 127 3.411 12.498 -4.365 1.00 0.89 H new ATOM 733 N ALA A 128 2.908 8.740 -6.367 1.00 0.51 N ATOM 734 CA ALA A 128 3.601 7.500 -6.063 1.00 0.49 C ATOM 735 C ALA A 128 4.357 6.994 -7.287 1.00 0.51 C ATOM 736 O ALA A 128 4.950 5.916 -7.265 1.00 0.66 O ATOM 737 CB ALA A 128 2.606 6.452 -5.568 1.00 0.47 C ATOM 0 H ALA A 128 2.069 8.619 -6.935 1.00 0.51 H new ATOM 0 HA ALA A 128 4.328 7.689 -5.273 1.00 0.49 H new ATOM 0 HB1 ALA A 128 3.135 5.526 -5.343 1.00 0.47 H new ATOM 0 HB2 ALA A 128 2.112 6.816 -4.667 1.00 0.47 H new ATOM 0 HB3 ALA A 128 1.860 6.265 -6.340 1.00 0.47 H new ATOM 743 N ASP A 129 4.339 7.789 -8.355 1.00 0.53 N ATOM 744 CA ASP A 129 5.011 7.427 -9.594 1.00 0.57 C ATOM 745 C ASP A 129 6.190 8.354 -9.846 1.00 0.68 C ATOM 746 O ASP A 129 6.025 9.551 -10.092 1.00 0.75 O ATOM 747 CB ASP A 129 4.037 7.474 -10.776 1.00 0.60 C ATOM 748 CG ASP A 129 4.574 6.747 -11.992 1.00 0.64 C ATOM 749 OD1 ASP A 129 5.124 5.634 -11.833 1.00 0.65 O ATOM 750 OD2 ASP A 129 4.447 7.276 -13.115 1.00 0.80 O ATOM 0 H ASP A 129 3.863 8.691 -8.384 1.00 0.53 H new ATOM 0 HA ASP A 129 5.381 6.406 -9.496 1.00 0.57 H new ATOM 0 HB2 ASP A 129 3.087 7.029 -10.479 1.00 0.60 H new ATOM 0 HB3 ASP A 129 3.835 8.513 -11.036 1.00 0.60 H new ATOM 755 N ILE A 130 7.377 7.788 -9.778 1.00 0.76 N ATOM 756 CA ILE A 130 8.606 8.528 -9.971 1.00 0.90 C ATOM 757 C ILE A 130 9.225 8.207 -11.329 1.00 0.98 C ATOM 758 O ILE A 130 9.769 9.090 -11.993 1.00 1.12 O ATOM 759 CB ILE A 130 9.618 8.200 -8.853 1.00 0.98 C ATOM 760 CG1 ILE A 130 8.923 8.237 -7.489 1.00 1.04 C ATOM 761 CG2 ILE A 130 10.786 9.175 -8.881 1.00 1.20 C ATOM 762 CD1 ILE A 130 9.518 7.286 -6.476 1.00 1.23 C ATOM 0 H ILE A 130 7.517 6.796 -9.586 1.00 0.76 H new ATOM 0 HA ILE A 130 8.365 9.590 -9.935 1.00 0.90 H new ATOM 0 HB ILE A 130 10.009 7.197 -9.022 1.00 0.98 H new ATOM 0 HG12 ILE A 130 8.972 9.252 -7.094 1.00 1.04 H new ATOM 0 HG13 ILE A 130 7.868 7.998 -7.622 1.00 1.04 H new ATOM 0 HG21 ILE A 130 11.487 8.926 -8.085 1.00 1.20 H new ATOM 0 HG22 ILE A 130 11.292 9.109 -9.844 1.00 1.20 H new ATOM 0 HG23 ILE A 130 10.416 10.190 -8.734 1.00 1.20 H new ATOM 0 HD11 ILE A 130 8.974 7.369 -5.535 1.00 1.23 H new ATOM 0 HD12 ILE A 130 9.444 6.264 -6.849 1.00 1.23 H new ATOM 0 HD13 ILE A 130 10.566 7.538 -6.312 1.00 1.23 H new ATOM 774 N ASP A 131 9.116 6.949 -11.752 1.00 0.94 N ATOM 775 CA ASP A 131 9.681 6.526 -13.035 1.00 1.05 C ATOM 776 C ASP A 131 8.877 7.068 -14.213 1.00 1.08 C ATOM 777 O ASP A 131 9.427 7.313 -15.286 1.00 1.23 O ATOM 778 CB ASP A 131 9.805 4.992 -13.135 1.00 1.04 C ATOM 779 CG ASP A 131 8.552 4.221 -12.743 1.00 0.97 C ATOM 780 OD1 ASP A 131 7.442 4.805 -12.705 1.00 0.81 O ATOM 781 OD2 ASP A 131 8.665 3.013 -12.451 1.00 1.35 O ATOM 0 H ASP A 131 8.646 6.209 -11.231 1.00 0.94 H new ATOM 0 HA ASP A 131 10.685 6.949 -13.082 1.00 1.05 H new ATOM 0 HB2 ASP A 131 10.070 4.729 -14.159 1.00 1.04 H new ATOM 0 HB3 ASP A 131 10.628 4.666 -12.499 1.00 1.04 H new ATOM 786 N GLY A 132 7.584 7.260 -14.014 1.00 0.99 N ATOM 787 CA GLY A 132 6.744 7.780 -15.076 1.00 1.06 C ATOM 788 C GLY A 132 6.084 6.681 -15.878 1.00 1.07 C ATOM 789 O GLY A 132 5.681 6.890 -17.022 1.00 1.25 O ATOM 0 H GLY A 132 7.099 7.066 -13.138 1.00 0.99 H new ATOM 0 HA2 GLY A 132 5.977 8.424 -14.646 1.00 1.06 H new ATOM 0 HA3 GLY A 132 7.345 8.400 -15.741 1.00 1.06 H new ATOM 793 N ASP A 133 5.974 5.504 -15.278 1.00 0.98 N ATOM 794 CA ASP A 133 5.355 4.362 -15.945 1.00 1.01 C ATOM 795 C ASP A 133 3.850 4.337 -15.688 1.00 0.97 C ATOM 796 O ASP A 133 3.118 3.553 -16.293 1.00 1.06 O ATOM 797 CB ASP A 133 6.005 3.044 -15.493 1.00 0.97 C ATOM 798 CG ASP A 133 5.445 2.504 -14.188 1.00 0.83 C ATOM 799 OD1 ASP A 133 5.440 3.248 -13.176 1.00 0.74 O ATOM 800 OD2 ASP A 133 5.020 1.336 -14.162 1.00 0.89 O ATOM 0 H ASP A 133 6.304 5.313 -14.332 1.00 0.98 H new ATOM 0 HA ASP A 133 5.517 4.469 -17.018 1.00 1.01 H new ATOM 0 HB2 ASP A 133 5.869 2.296 -16.274 1.00 0.97 H new ATOM 0 HB3 ASP A 133 7.078 3.198 -15.382 1.00 0.97 H new ATOM 805 N GLY A 134 3.394 5.194 -14.784 1.00 0.87 N ATOM 806 CA GLY A 134 1.979 5.268 -14.473 1.00 0.88 C ATOM 807 C GLY A 134 1.538 4.217 -13.477 1.00 0.79 C ATOM 808 O GLY A 134 0.375 4.179 -13.078 1.00 0.90 O ATOM 0 H GLY A 134 3.981 5.842 -14.258 1.00 0.87 H new ATOM 0 HA2 GLY A 134 1.751 6.257 -14.075 1.00 0.88 H new ATOM 0 HA3 GLY A 134 1.404 5.154 -15.392 1.00 0.88 H new ATOM 812 N GLN A 135 2.460 3.359 -13.077 1.00 0.70 N ATOM 813 CA GLN A 135 2.156 2.307 -12.126 1.00 0.63 C ATOM 814 C GLN A 135 3.024 2.448 -10.891 1.00 0.49 C ATOM 815 O GLN A 135 3.980 3.227 -10.873 1.00 0.56 O ATOM 816 CB GLN A 135 2.386 0.932 -12.748 1.00 0.76 C ATOM 817 CG GLN A 135 1.456 0.605 -13.901 1.00 0.83 C ATOM 818 CD GLN A 135 1.980 -0.531 -14.760 1.00 0.98 C ATOM 819 OE1 GLN A 135 1.211 -1.366 -15.243 1.00 1.18 O ATOM 820 NE2 GLN A 135 3.289 -0.568 -14.972 1.00 1.10 N ATOM 0 H GLN A 135 3.428 3.371 -13.398 1.00 0.70 H new ATOM 0 HA GLN A 135 1.107 2.400 -11.846 1.00 0.63 H new ATOM 0 HB2 GLN A 135 3.416 0.873 -13.099 1.00 0.76 H new ATOM 0 HB3 GLN A 135 2.269 0.172 -11.975 1.00 0.76 H new ATOM 0 HG2 GLN A 135 0.475 0.338 -13.509 1.00 0.83 H new ATOM 0 HG3 GLN A 135 1.321 1.493 -14.519 1.00 0.83 H new ATOM 0 HE21 GLN A 135 3.893 0.140 -14.555 1.00 1.10 H new ATOM 0 HE22 GLN A 135 3.691 -1.305 -15.552 1.00 1.10 H new ATOM 829 N VAL A 136 2.692 1.678 -9.874 1.00 0.42 N ATOM 830 CA VAL A 136 3.427 1.690 -8.627 1.00 0.40 C ATOM 831 C VAL A 136 4.072 0.321 -8.407 1.00 0.43 C ATOM 832 O VAL A 136 3.395 -0.670 -8.131 1.00 0.45 O ATOM 833 CB VAL A 136 2.482 2.093 -7.461 1.00 0.55 C ATOM 834 CG1 VAL A 136 2.853 1.474 -6.126 1.00 1.07 C ATOM 835 CG2 VAL A 136 2.457 3.600 -7.319 1.00 1.08 C ATOM 0 H VAL A 136 1.906 1.028 -9.889 1.00 0.42 H new ATOM 0 HA VAL A 136 4.225 2.431 -8.665 1.00 0.40 H new ATOM 0 HB VAL A 136 1.497 1.706 -7.724 1.00 0.55 H new ATOM 0 HG11 VAL A 136 2.147 1.803 -5.364 1.00 1.07 H new ATOM 0 HG12 VAL A 136 2.819 0.388 -6.207 1.00 1.07 H new ATOM 0 HG13 VAL A 136 3.859 1.786 -5.847 1.00 1.07 H new ATOM 0 HG21 VAL A 136 1.793 3.877 -6.500 1.00 1.08 H new ATOM 0 HG22 VAL A 136 3.463 3.962 -7.109 1.00 1.08 H new ATOM 0 HG23 VAL A 136 2.097 4.047 -8.246 1.00 1.08 H new ATOM 845 N ASN A 137 5.379 0.260 -8.611 1.00 0.48 N ATOM 846 CA ASN A 137 6.121 -0.982 -8.428 1.00 0.56 C ATOM 847 C ASN A 137 6.733 -1.020 -7.040 1.00 0.59 C ATOM 848 O ASN A 137 6.630 -0.050 -6.297 1.00 0.56 O ATOM 849 CB ASN A 137 7.209 -1.156 -9.499 1.00 0.63 C ATOM 850 CG ASN A 137 7.917 0.137 -9.847 1.00 0.68 C ATOM 851 OD1 ASN A 137 8.793 0.594 -9.117 1.00 0.72 O ATOM 852 ND2 ASN A 137 7.554 0.728 -10.979 1.00 0.84 N ATOM 0 H ASN A 137 5.949 1.054 -8.903 1.00 0.48 H new ATOM 0 HA ASN A 137 5.421 -1.811 -8.535 1.00 0.56 H new ATOM 0 HB2 ASN A 137 7.943 -1.881 -9.147 1.00 0.63 H new ATOM 0 HB3 ASN A 137 6.759 -1.570 -10.401 1.00 0.63 H new ATOM 0 HD21 ASN A 137 8.007 1.594 -11.270 1.00 0.84 H new ATOM 0 HD22 ASN A 137 6.822 0.316 -11.557 1.00 0.84 H new ATOM 859 N TYR A 138 7.367 -2.138 -6.702 1.00 0.69 N ATOM 860 CA TYR A 138 7.983 -2.322 -5.387 1.00 0.77 C ATOM 861 C TYR A 138 8.909 -1.163 -5.033 1.00 0.77 C ATOM 862 O TYR A 138 8.863 -0.632 -3.922 1.00 0.79 O ATOM 863 CB TYR A 138 8.760 -3.643 -5.357 1.00 0.91 C ATOM 864 CG TYR A 138 9.241 -4.042 -3.981 1.00 1.00 C ATOM 865 CD1 TYR A 138 8.336 -4.413 -2.994 1.00 1.13 C ATOM 866 CD2 TYR A 138 10.596 -4.056 -3.670 1.00 1.08 C ATOM 867 CE1 TYR A 138 8.768 -4.789 -1.736 1.00 1.27 C ATOM 868 CE2 TYR A 138 11.033 -4.430 -2.413 1.00 1.20 C ATOM 869 CZ TYR A 138 10.117 -4.795 -1.452 1.00 1.28 C ATOM 870 OH TYR A 138 10.549 -5.171 -0.201 1.00 1.45 O ATOM 0 H TYR A 138 7.470 -2.939 -7.325 1.00 0.69 H new ATOM 0 HA TYR A 138 7.186 -2.349 -4.644 1.00 0.77 H new ATOM 0 HB2 TYR A 138 8.125 -4.435 -5.753 1.00 0.91 H new ATOM 0 HB3 TYR A 138 9.620 -3.562 -6.022 1.00 0.91 H new ATOM 0 HD1 TYR A 138 7.279 -4.407 -3.213 1.00 1.13 H new ATOM 0 HD2 TYR A 138 11.318 -3.771 -4.421 1.00 1.08 H new ATOM 0 HE1 TYR A 138 8.053 -5.077 -0.980 1.00 1.27 H new ATOM 0 HE2 TYR A 138 12.089 -4.436 -2.186 1.00 1.20 H new ATOM 0 HH TYR A 138 11.527 -5.122 -0.164 1.00 1.45 H new ATOM 880 N GLU A 139 9.730 -0.769 -5.995 1.00 0.78 N ATOM 881 CA GLU A 139 10.684 0.318 -5.816 1.00 0.82 C ATOM 882 C GLU A 139 9.993 1.633 -5.439 1.00 0.77 C ATOM 883 O GLU A 139 10.379 2.292 -4.469 1.00 0.84 O ATOM 884 CB GLU A 139 11.495 0.507 -7.102 1.00 0.87 C ATOM 885 CG GLU A 139 12.255 -0.740 -7.543 1.00 0.99 C ATOM 886 CD GLU A 139 11.479 -1.596 -8.531 1.00 1.22 C ATOM 887 OE1 GLU A 139 10.368 -2.058 -8.187 1.00 1.84 O ATOM 888 OE2 GLU A 139 11.987 -1.826 -9.648 1.00 1.50 O ATOM 0 H GLU A 139 9.755 -1.193 -6.922 1.00 0.78 H new ATOM 0 HA GLU A 139 11.346 0.047 -4.993 1.00 0.82 H new ATOM 0 HB2 GLU A 139 10.822 0.812 -7.903 1.00 0.87 H new ATOM 0 HB3 GLU A 139 12.205 1.321 -6.956 1.00 0.87 H new ATOM 0 HG2 GLU A 139 13.200 -0.440 -7.996 1.00 0.99 H new ATOM 0 HG3 GLU A 139 12.498 -1.339 -6.665 1.00 0.99 H new ATOM 895 N GLU A 140 8.978 2.007 -6.204 1.00 0.68 N ATOM 896 CA GLU A 140 8.247 3.250 -5.956 1.00 0.64 C ATOM 897 C GLU A 140 7.361 3.132 -4.717 1.00 0.62 C ATOM 898 O GLU A 140 7.161 4.101 -3.984 1.00 0.66 O ATOM 899 CB GLU A 140 7.398 3.608 -7.181 1.00 0.58 C ATOM 900 CG GLU A 140 8.173 3.539 -8.488 1.00 0.65 C ATOM 901 CD GLU A 140 7.418 4.115 -9.665 1.00 0.62 C ATOM 902 OE1 GLU A 140 6.614 3.398 -10.300 1.00 0.60 O ATOM 903 OE2 GLU A 140 7.641 5.285 -9.997 1.00 0.68 O ATOM 0 H GLU A 140 8.639 1.471 -7.002 1.00 0.68 H new ATOM 0 HA GLU A 140 8.973 4.043 -5.776 1.00 0.64 H new ATOM 0 HB2 GLU A 140 6.546 2.930 -7.235 1.00 0.58 H new ATOM 0 HB3 GLU A 140 6.998 4.614 -7.056 1.00 0.58 H new ATOM 0 HG2 GLU A 140 9.115 4.076 -8.372 1.00 0.65 H new ATOM 0 HG3 GLU A 140 8.422 2.499 -8.699 1.00 0.65 H new ATOM 910 N PHE A 141 6.854 1.928 -4.489 1.00 0.60 N ATOM 911 CA PHE A 141 5.973 1.637 -3.361 1.00 0.62 C ATOM 912 C PHE A 141 6.661 1.875 -2.019 1.00 0.72 C ATOM 913 O PHE A 141 6.153 2.612 -1.173 1.00 0.77 O ATOM 914 CB PHE A 141 5.495 0.184 -3.456 1.00 0.64 C ATOM 915 CG PHE A 141 4.450 -0.196 -2.451 1.00 0.59 C ATOM 916 CD1 PHE A 141 3.185 0.360 -2.506 1.00 0.61 C ATOM 917 CD2 PHE A 141 4.730 -1.125 -1.463 1.00 0.73 C ATOM 918 CE1 PHE A 141 2.217 0.001 -1.590 1.00 0.74 C ATOM 919 CE2 PHE A 141 3.763 -1.490 -0.544 1.00 0.85 C ATOM 920 CZ PHE A 141 2.506 -0.926 -0.608 1.00 0.85 C ATOM 0 H PHE A 141 7.042 1.120 -5.083 1.00 0.60 H new ATOM 0 HA PHE A 141 5.122 2.317 -3.412 1.00 0.62 H new ATOM 0 HB2 PHE A 141 5.098 0.010 -4.456 1.00 0.64 H new ATOM 0 HB3 PHE A 141 6.354 -0.476 -3.335 1.00 0.64 H new ATOM 0 HD1 PHE A 141 2.952 1.083 -3.274 1.00 0.61 H new ATOM 0 HD2 PHE A 141 5.713 -1.569 -1.410 1.00 0.73 H new ATOM 0 HE1 PHE A 141 1.234 0.445 -1.641 1.00 0.74 H new ATOM 0 HE2 PHE A 141 3.992 -2.216 0.223 1.00 0.85 H new ATOM 0 HZ PHE A 141 1.749 -1.209 0.109 1.00 0.85 H new ATOM 930 N VAL A 142 7.826 1.265 -1.831 1.00 0.80 N ATOM 931 CA VAL A 142 8.568 1.395 -0.577 1.00 0.92 C ATOM 932 C VAL A 142 8.962 2.846 -0.293 1.00 0.91 C ATOM 933 O VAL A 142 8.860 3.309 0.845 1.00 0.99 O ATOM 934 CB VAL A 142 9.835 0.510 -0.577 1.00 1.06 C ATOM 935 CG1 VAL A 142 10.579 0.627 0.747 1.00 1.23 C ATOM 936 CG2 VAL A 142 9.474 -0.942 -0.861 1.00 1.07 C ATOM 0 H VAL A 142 8.279 0.675 -2.529 1.00 0.80 H new ATOM 0 HA VAL A 142 7.897 1.058 0.213 1.00 0.92 H new ATOM 0 HB VAL A 142 10.495 0.863 -1.370 1.00 1.06 H new ATOM 0 HG11 VAL A 142 11.467 -0.005 0.723 1.00 1.23 H new ATOM 0 HG12 VAL A 142 10.876 1.664 0.907 1.00 1.23 H new ATOM 0 HG13 VAL A 142 9.928 0.306 1.560 1.00 1.23 H new ATOM 0 HG21 VAL A 142 10.379 -1.549 -0.857 1.00 1.07 H new ATOM 0 HG22 VAL A 142 8.791 -1.304 -0.093 1.00 1.07 H new ATOM 0 HG23 VAL A 142 8.994 -1.013 -1.837 1.00 1.07 H new ATOM 946 N GLN A 143 9.384 3.570 -1.326 1.00 0.87 N ATOM 947 CA GLN A 143 9.801 4.960 -1.156 1.00 0.91 C ATOM 948 C GLN A 143 8.622 5.856 -0.783 1.00 0.82 C ATOM 949 O GLN A 143 8.799 6.870 -0.109 1.00 0.95 O ATOM 950 CB GLN A 143 10.465 5.487 -2.431 1.00 0.96 C ATOM 951 CG GLN A 143 11.092 6.864 -2.256 1.00 1.27 C ATOM 952 CD GLN A 143 11.635 7.437 -3.549 1.00 1.43 C ATOM 953 OE1 GLN A 143 11.603 8.648 -3.765 1.00 1.65 O ATOM 954 NE2 GLN A 143 12.145 6.576 -4.416 1.00 1.96 N ATOM 0 H GLN A 143 9.446 3.222 -2.283 1.00 0.87 H new ATOM 0 HA GLN A 143 10.523 4.984 -0.340 1.00 0.91 H new ATOM 0 HB2 GLN A 143 11.233 4.783 -2.750 1.00 0.96 H new ATOM 0 HB3 GLN A 143 9.723 5.532 -3.228 1.00 0.96 H new ATOM 0 HG2 GLN A 143 10.347 7.547 -1.847 1.00 1.27 H new ATOM 0 HG3 GLN A 143 11.899 6.799 -1.527 1.00 1.27 H new ATOM 0 HE21 GLN A 143 12.153 5.579 -4.200 1.00 1.96 H new ATOM 0 HE22 GLN A 143 12.530 6.910 -5.300 1.00 1.96 H new ATOM 963 N MET A 144 7.425 5.474 -1.217 1.00 0.68 N ATOM 964 CA MET A 144 6.222 6.247 -0.930 1.00 0.64 C ATOM 965 C MET A 144 5.937 6.275 0.571 1.00 0.64 C ATOM 966 O MET A 144 5.704 7.333 1.155 1.00 0.70 O ATOM 967 CB MET A 144 5.027 5.656 -1.679 1.00 0.65 C ATOM 968 CG MET A 144 4.165 6.693 -2.374 1.00 0.71 C ATOM 969 SD MET A 144 3.209 7.699 -1.225 1.00 0.89 S ATOM 970 CE MET A 144 2.428 8.828 -2.369 1.00 0.60 C ATOM 0 H MET A 144 7.262 4.632 -1.770 1.00 0.68 H new ATOM 0 HA MET A 144 6.385 7.271 -1.267 1.00 0.64 H new ATOM 0 HB2 MET A 144 5.391 4.944 -2.420 1.00 0.65 H new ATOM 0 HB3 MET A 144 4.410 5.097 -0.976 1.00 0.65 H new ATOM 0 HG2 MET A 144 4.801 7.343 -2.974 1.00 0.71 H new ATOM 0 HG3 MET A 144 3.484 6.190 -3.061 1.00 0.71 H new ATOM 0 HE1 MET A 144 1.433 9.084 -2.006 1.00 0.60 H new ATOM 0 HE2 MET A 144 3.028 9.734 -2.452 1.00 0.60 H new ATOM 0 HE3 MET A 144 2.346 8.356 -3.348 1.00 0.60 H new ATOM 980 N MET A 145 5.967 5.103 1.189 1.00 0.67 N ATOM 981 CA MET A 145 5.709 4.987 2.617 1.00 0.79 C ATOM 982 C MET A 145 6.919 5.423 3.434 1.00 0.89 C ATOM 983 O MET A 145 6.780 6.029 4.494 1.00 0.98 O ATOM 984 CB MET A 145 5.341 3.549 2.977 1.00 0.92 C ATOM 985 CG MET A 145 3.914 3.170 2.612 1.00 0.94 C ATOM 986 SD MET A 145 3.679 2.936 0.844 1.00 1.14 S ATOM 987 CE MET A 145 1.984 2.369 0.811 1.00 0.68 C ATOM 0 H MET A 145 6.168 4.218 0.723 1.00 0.67 H new ATOM 0 HA MET A 145 4.874 5.645 2.856 1.00 0.79 H new ATOM 0 HB2 MET A 145 6.028 2.871 2.471 1.00 0.92 H new ATOM 0 HB3 MET A 145 5.482 3.405 4.048 1.00 0.92 H new ATOM 0 HG2 MET A 145 3.643 2.252 3.134 1.00 0.94 H new ATOM 0 HG3 MET A 145 3.236 3.948 2.963 1.00 0.94 H new ATOM 0 HE1 MET A 145 1.549 2.580 -0.166 1.00 0.68 H new ATOM 0 HE2 MET A 145 1.956 1.295 0.997 1.00 0.68 H new ATOM 0 HE3 MET A 145 1.412 2.886 1.582 1.00 0.68 H new ATOM 997 N THR A 146 8.104 5.118 2.933 1.00 0.98 N ATOM 998 CA THR A 146 9.329 5.476 3.623 1.00 1.16 C ATOM 999 C THR A 146 9.911 6.765 3.048 1.00 1.21 C ATOM 1000 O THR A 146 11.061 6.805 2.603 1.00 1.37 O ATOM 1001 CB THR A 146 10.366 4.340 3.527 1.00 1.29 C ATOM 1002 OG1 THR A 146 9.694 3.080 3.396 1.00 1.26 O ATOM 1003 CG2 THR A 146 11.250 4.310 4.761 1.00 1.53 C ATOM 0 H THR A 146 8.243 4.624 2.052 1.00 0.98 H new ATOM 0 HA THR A 146 9.088 5.636 4.674 1.00 1.16 H new ATOM 0 HB THR A 146 10.990 4.520 2.652 1.00 1.29 H new ATOM 0 HG1 THR A 146 9.458 2.931 2.457 1.00 1.26 H new ATOM 0 HG21 THR A 146 11.974 3.500 4.670 1.00 1.53 H new ATOM 0 HG22 THR A 146 11.777 5.259 4.854 1.00 1.53 H new ATOM 0 HG23 THR A 146 10.634 4.149 5.646 1.00 1.53 H new ATOM 1011 N ALA A 147 9.095 7.812 3.053 1.00 1.20 N ATOM 1012 CA ALA A 147 9.502 9.110 2.539 1.00 1.32 C ATOM 1013 C ALA A 147 10.381 9.837 3.552 1.00 1.47 C ATOM 1014 O ALA A 147 10.014 9.976 4.720 1.00 1.64 O ATOM 1015 CB ALA A 147 8.283 9.953 2.198 1.00 1.35 C ATOM 0 H ALA A 147 8.140 7.784 3.411 1.00 1.20 H new ATOM 0 HA ALA A 147 10.081 8.951 1.629 1.00 1.32 H new ATOM 0 HB1 ALA A 147 8.606 10.921 1.815 1.00 1.35 H new ATOM 0 HB2 ALA A 147 7.688 9.443 1.440 1.00 1.35 H new ATOM 0 HB3 ALA A 147 7.680 10.100 3.094 1.00 1.35 H new ATOM 1021 N LYS A 148 11.538 10.288 3.096 1.00 1.60 N ATOM 1022 CA LYS A 148 12.472 11.004 3.950 1.00 1.83 C ATOM 1023 C LYS A 148 13.049 12.202 3.207 1.00 2.10 C ATOM 1024 O LYS A 148 14.286 12.345 3.163 1.00 2.31 O ATOM 1025 CB LYS A 148 13.596 10.070 4.411 1.00 2.09 C ATOM 1026 CG LYS A 148 13.278 9.324 5.696 1.00 2.36 C ATOM 1027 CD LYS A 148 13.146 10.282 6.868 1.00 2.64 C ATOM 1028 CE LYS A 148 11.830 10.092 7.601 1.00 2.97 C ATOM 1029 NZ LYS A 148 11.582 11.174 8.592 1.00 3.35 N ATOM 1030 OXT LYS A 148 12.253 12.979 2.640 1.00 2.41 O ATOM 0 H LYS A 148 11.854 10.170 2.134 1.00 1.60 H new ATOM 0 HA LYS A 148 11.938 11.362 4.830 1.00 1.83 H new ATOM 0 HB2 LYS A 148 13.802 9.347 3.622 1.00 2.09 H new ATOM 0 HB3 LYS A 148 14.506 10.653 4.555 1.00 2.09 H new ATOM 0 HG2 LYS A 148 12.351 8.764 5.575 1.00 2.36 H new ATOM 0 HG3 LYS A 148 14.065 8.598 5.903 1.00 2.36 H new ATOM 0 HD2 LYS A 148 13.974 10.127 7.560 1.00 2.64 H new ATOM 0 HD3 LYS A 148 13.218 11.309 6.509 1.00 2.64 H new ATOM 0 HE2 LYS A 148 11.013 10.067 6.879 1.00 2.97 H new ATOM 0 HE3 LYS A 148 11.835 9.128 8.110 1.00 2.97 H new ATOM 0 HZ1 LYS A 148 10.674 11.006 9.070 1.00 3.35 H new ATOM 0 HZ2 LYS A 148 12.347 11.182 9.296 1.00 3.35 H new ATOM 0 HZ3 LYS A 148 11.552 12.092 8.104 1.00 3.35 H new TER 1044 LYS A 148 ATOM 1045 N ARG B 287 -3.856 14.953 0.543 1.00 2.05 N ATOM 1046 CA ARG B 287 -2.632 14.501 -0.146 1.00 1.53 C ATOM 1047 C ARG B 287 -2.644 12.990 -0.299 1.00 1.32 C ATOM 1048 O ARG B 287 -3.340 12.292 0.434 1.00 1.51 O ATOM 1049 CB ARG B 287 -1.390 14.920 0.641 1.00 1.48 C ATOM 1050 CG ARG B 287 -1.134 16.419 0.628 1.00 1.75 C ATOM 1051 CD ARG B 287 0.344 16.725 0.779 1.00 1.82 C ATOM 1052 NE ARG B 287 1.132 16.188 -0.332 1.00 1.74 N ATOM 1053 CZ ARG B 287 2.464 16.111 -0.338 1.00 1.95 C ATOM 1054 NH1 ARG B 287 3.161 16.507 0.722 1.00 2.21 N ATOM 1055 NH2 ARG B 287 3.100 15.625 -1.397 1.00 2.14 N ATOM 0 HA ARG B 287 -2.604 14.965 -1.132 1.00 1.53 H new ATOM 0 HB2 ARG B 287 -1.496 14.588 1.674 1.00 1.48 H new ATOM 0 HB3 ARG B 287 -0.520 14.408 0.229 1.00 1.48 H new ATOM 0 HG2 ARG B 287 -1.503 16.845 -0.305 1.00 1.75 H new ATOM 0 HG3 ARG B 287 -1.690 16.893 1.437 1.00 1.75 H new ATOM 0 HD2 ARG B 287 0.487 17.804 0.836 1.00 1.82 H new ATOM 0 HD3 ARG B 287 0.707 16.305 1.717 1.00 1.82 H new ATOM 0 HE ARG B 287 0.631 15.851 -1.154 1.00 1.74 H new ATOM 0 HH11 ARG B 287 2.678 16.871 1.543 1.00 2.21 H new ATOM 0 HH12 ARG B 287 4.179 16.447 0.714 1.00 2.21 H new ATOM 0 HH21 ARG B 287 2.570 15.309 -2.209 1.00 2.14 H new ATOM 0 HH22 ARG B 287 4.118 15.568 -1.398 1.00 2.14 H new ATOM 1071 N ALA B 288 -1.870 12.488 -1.247 1.00 1.19 N ATOM 1072 CA ALA B 288 -1.794 11.056 -1.490 1.00 1.22 C ATOM 1073 C ALA B 288 -0.687 10.430 -0.652 1.00 1.09 C ATOM 1074 O ALA B 288 -0.780 9.271 -0.245 1.00 1.06 O ATOM 1075 CB ALA B 288 -1.562 10.791 -2.967 1.00 1.57 C ATOM 0 H ALA B 288 -1.284 13.052 -1.862 1.00 1.19 H new ATOM 0 HA ALA B 288 -2.740 10.600 -1.198 1.00 1.22 H new ATOM 0 HB1 ALA B 288 -1.506 9.716 -3.139 1.00 1.57 H new ATOM 0 HB2 ALA B 288 -2.386 11.209 -3.545 1.00 1.57 H new ATOM 0 HB3 ALA B 288 -0.627 11.257 -3.278 1.00 1.57 H new ATOM 1081 N ALA B 289 0.350 11.227 -0.395 1.00 1.09 N ATOM 1082 CA ALA B 289 1.509 10.802 0.389 1.00 1.10 C ATOM 1083 C ALA B 289 1.117 10.136 1.706 1.00 0.97 C ATOM 1084 O ALA B 289 1.739 9.163 2.113 1.00 1.13 O ATOM 1085 CB ALA B 289 2.416 11.991 0.661 1.00 1.18 C ATOM 0 H ALA B 289 0.410 12.190 -0.726 1.00 1.09 H new ATOM 0 HA ALA B 289 2.039 10.056 -0.203 1.00 1.10 H new ATOM 0 HB1 ALA B 289 3.277 11.666 1.245 1.00 1.18 H new ATOM 0 HB2 ALA B 289 2.758 12.412 -0.285 1.00 1.18 H new ATOM 0 HB3 ALA B 289 1.865 12.749 1.218 1.00 1.18 H new ATOM 1091 N ASN B 290 0.088 10.655 2.365 1.00 0.80 N ATOM 1092 CA ASN B 290 -0.352 10.100 3.647 1.00 0.72 C ATOM 1093 C ASN B 290 -1.377 8.979 3.465 1.00 0.65 C ATOM 1094 O ASN B 290 -1.523 8.108 4.330 1.00 0.64 O ATOM 1095 CB ASN B 290 -0.934 11.205 4.544 1.00 0.77 C ATOM 1096 CG ASN B 290 -2.096 11.937 3.899 1.00 0.88 C ATOM 1097 OD1 ASN B 290 -1.894 12.839 3.084 1.00 1.07 O ATOM 1098 ND2 ASN B 290 -3.318 11.580 4.273 1.00 1.04 N ATOM 0 H ASN B 290 -0.456 11.454 2.039 1.00 0.80 H new ATOM 0 HA ASN B 290 0.526 9.672 4.130 1.00 0.72 H new ATOM 0 HB2 ASN B 290 -1.265 10.766 5.485 1.00 0.77 H new ATOM 0 HB3 ASN B 290 -0.149 11.921 4.786 1.00 0.77 H new ATOM 0 HD21 ASN B 290 -4.131 12.057 3.883 1.00 1.04 H new ATOM 0 HD22 ASN B 290 -3.445 10.828 4.950 1.00 1.04 H new ATOM 1105 N LEU B 291 -2.065 8.967 2.332 1.00 0.64 N ATOM 1106 CA LEU B 291 -3.078 7.952 2.106 1.00 0.61 C ATOM 1107 C LEU B 291 -2.462 6.590 1.818 1.00 0.52 C ATOM 1108 O LEU B 291 -2.942 5.608 2.348 1.00 0.52 O ATOM 1109 CB LEU B 291 -4.050 8.349 1.006 1.00 0.67 C ATOM 1110 CG LEU B 291 -5.490 7.871 1.232 1.00 0.77 C ATOM 1111 CD1 LEU B 291 -6.096 8.544 2.453 1.00 1.52 C ATOM 1112 CD2 LEU B 291 -6.342 8.135 0.007 1.00 1.28 C ATOM 0 H LEU B 291 -1.943 9.635 1.571 1.00 0.64 H new ATOM 0 HA LEU B 291 -3.645 7.872 3.033 1.00 0.61 H new ATOM 0 HB2 LEU B 291 -4.051 9.435 0.913 1.00 0.67 H new ATOM 0 HB3 LEU B 291 -3.691 7.948 0.058 1.00 0.67 H new ATOM 0 HG LEU B 291 -5.464 6.796 1.409 1.00 0.77 H new ATOM 0 HD11 LEU B 291 -7.117 8.190 2.594 1.00 1.52 H new ATOM 0 HD12 LEU B 291 -5.503 8.301 3.334 1.00 1.52 H new ATOM 0 HD13 LEU B 291 -6.103 9.624 2.307 1.00 1.52 H new ATOM 0 HD21 LEU B 291 -7.359 7.788 0.190 1.00 1.28 H new ATOM 0 HD22 LEU B 291 -6.356 9.204 -0.203 1.00 1.28 H new ATOM 0 HD23 LEU B 291 -5.925 7.603 -0.848 1.00 1.28 H new ATOM 1124 N TRP B 292 -1.414 6.508 0.990 1.00 0.48 N ATOM 1125 CA TRP B 292 -0.780 5.204 0.724 1.00 0.42 C ATOM 1126 C TRP B 292 -0.409 4.520 2.067 1.00 0.42 C ATOM 1127 O TRP B 292 -0.780 3.354 2.309 1.00 0.41 O ATOM 1128 CB TRP B 292 0.467 5.331 -0.177 1.00 0.41 C ATOM 1129 CG TRP B 292 0.206 5.542 -1.649 1.00 0.32 C ATOM 1130 CD1 TRP B 292 -0.037 6.731 -2.265 1.00 0.32 C ATOM 1131 CD2 TRP B 292 0.216 4.552 -2.699 1.00 0.27 C ATOM 1132 NE1 TRP B 292 -0.179 6.551 -3.617 1.00 0.29 N ATOM 1133 CE2 TRP B 292 -0.027 5.228 -3.911 1.00 0.25 C ATOM 1134 CE3 TRP B 292 0.411 3.167 -2.742 1.00 0.31 C ATOM 1135 CZ2 TRP B 292 -0.080 4.567 -5.137 1.00 0.27 C ATOM 1136 CZ3 TRP B 292 0.351 2.528 -3.970 1.00 0.31 C ATOM 1137 CH2 TRP B 292 0.110 3.238 -5.139 1.00 0.29 C ATOM 0 H TRP B 292 -0.994 7.301 0.504 1.00 0.48 H new ATOM 0 HA TRP B 292 -1.500 4.589 0.184 1.00 0.42 H new ATOM 0 HB2 TRP B 292 1.070 6.163 0.187 1.00 0.41 H new ATOM 0 HB3 TRP B 292 1.067 4.428 -0.061 1.00 0.41 H new ATOM 0 HD1 TRP B 292 -0.108 7.683 -1.760 1.00 0.32 H new ATOM 0 HE1 TRP B 292 -0.368 7.289 -4.295 1.00 0.29 H new ATOM 0 HE3 TRP B 292 0.604 2.608 -1.838 1.00 0.31 H new ATOM 0 HZ2 TRP B 292 -0.268 5.106 -6.054 1.00 0.27 H new ATOM 0 HZ3 TRP B 292 0.494 1.459 -4.019 1.00 0.31 H new ATOM 0 HH2 TRP B 292 0.074 2.705 -6.078 1.00 0.29 H new ATOM 1148 N PRO B 293 0.327 5.216 2.977 1.00 0.47 N ATOM 1149 CA PRO B 293 0.673 4.653 4.286 1.00 0.51 C ATOM 1150 C PRO B 293 -0.566 4.315 5.109 1.00 0.51 C ATOM 1151 O PRO B 293 -0.492 3.498 6.020 1.00 0.52 O ATOM 1152 CB PRO B 293 1.464 5.762 4.976 1.00 0.59 C ATOM 1153 CG PRO B 293 1.974 6.611 3.877 1.00 0.61 C ATOM 1154 CD PRO B 293 0.925 6.553 2.806 1.00 0.53 C ATOM 0 HA PRO B 293 1.229 3.721 4.182 1.00 0.51 H new ATOM 0 HB2 PRO B 293 0.831 6.334 5.655 1.00 0.59 H new ATOM 0 HB3 PRO B 293 2.281 5.353 5.570 1.00 0.59 H new ATOM 0 HG2 PRO B 293 2.134 7.635 4.214 1.00 0.61 H new ATOM 0 HG3 PRO B 293 2.932 6.243 3.509 1.00 0.61 H new ATOM 0 HD2 PRO B 293 0.183 7.342 2.928 1.00 0.53 H new ATOM 0 HD3 PRO B 293 1.359 6.674 1.813 1.00 0.53 H new ATOM 1162 N SER B 294 -1.696 4.963 4.810 1.00 0.52 N ATOM 1163 CA SER B 294 -2.929 4.681 5.533 1.00 0.55 C ATOM 1164 C SER B 294 -3.280 3.177 5.456 1.00 0.51 C ATOM 1165 O SER B 294 -3.274 2.521 6.498 1.00 0.52 O ATOM 1166 CB SER B 294 -4.077 5.584 5.061 1.00 0.59 C ATOM 1167 OG SER B 294 -3.866 6.926 5.476 1.00 0.67 O ATOM 0 H SER B 294 -1.778 5.674 4.084 1.00 0.52 H new ATOM 0 HA SER B 294 -2.770 4.916 6.585 1.00 0.55 H new ATOM 0 HB2 SER B 294 -4.155 5.543 3.975 1.00 0.59 H new ATOM 0 HB3 SER B 294 -5.022 5.219 5.463 1.00 0.59 H new ATOM 0 HG SER B 294 -3.053 7.275 5.055 1.00 0.67 H new ATOM 1173 N PRO B 295 -3.592 2.573 4.266 1.00 0.47 N ATOM 1174 CA PRO B 295 -3.862 1.131 4.206 1.00 0.46 C ATOM 1175 C PRO B 295 -2.684 0.319 4.727 1.00 0.44 C ATOM 1176 O PRO B 295 -2.874 -0.762 5.284 1.00 0.46 O ATOM 1177 CB PRO B 295 -4.080 0.850 2.721 1.00 0.46 C ATOM 1178 CG PRO B 295 -4.521 2.142 2.160 1.00 0.58 C ATOM 1179 CD PRO B 295 -3.787 3.190 2.945 1.00 0.47 C ATOM 0 HA PRO B 295 -4.716 0.853 4.824 1.00 0.46 H new ATOM 0 HB2 PRO B 295 -3.163 0.503 2.244 1.00 0.46 H new ATOM 0 HB3 PRO B 295 -4.831 0.075 2.570 1.00 0.46 H new ATOM 0 HG2 PRO B 295 -4.285 2.210 1.098 1.00 0.58 H new ATOM 0 HG3 PRO B 295 -5.600 2.264 2.255 1.00 0.58 H new ATOM 0 HD2 PRO B 295 -2.835 3.444 2.479 1.00 0.47 H new ATOM 0 HD3 PRO B 295 -4.364 4.112 3.016 1.00 0.47 H new ATOM 1187 N LEU B 296 -1.465 0.836 4.535 1.00 0.44 N ATOM 1188 CA LEU B 296 -0.274 0.147 5.033 1.00 0.45 C ATOM 1189 C LEU B 296 -0.349 0.024 6.557 1.00 0.43 C ATOM 1190 O LEU B 296 -0.104 -1.042 7.124 1.00 0.43 O ATOM 1191 CB LEU B 296 1.000 0.895 4.633 1.00 0.48 C ATOM 1192 CG LEU B 296 2.294 0.103 4.822 1.00 0.69 C ATOM 1193 CD1 LEU B 296 2.720 -0.547 3.515 1.00 0.91 C ATOM 1194 CD2 LEU B 296 3.399 0.999 5.368 1.00 0.94 C ATOM 0 H LEU B 296 -1.281 1.713 4.047 1.00 0.44 H new ATOM 0 HA LEU B 296 -0.239 -0.847 4.588 1.00 0.45 H new ATOM 0 HB2 LEU B 296 0.919 1.188 3.586 1.00 0.48 H new ATOM 0 HB3 LEU B 296 1.064 1.813 5.217 1.00 0.48 H new ATOM 0 HG LEU B 296 2.109 -0.687 5.550 1.00 0.69 H new ATOM 0 HD11 LEU B 296 3.643 -1.106 3.670 1.00 0.91 H new ATOM 0 HD12 LEU B 296 1.938 -1.225 3.174 1.00 0.91 H new ATOM 0 HD13 LEU B 296 2.885 0.224 2.762 1.00 0.91 H new ATOM 0 HD21 LEU B 296 4.311 0.416 5.495 1.00 0.94 H new ATOM 0 HD22 LEU B 296 3.584 1.815 4.669 1.00 0.94 H new ATOM 0 HD23 LEU B 296 3.093 1.408 6.331 1.00 0.94 H new ATOM 1206 N MET B 297 -0.704 1.127 7.210 1.00 0.49 N ATOM 1207 CA MET B 297 -0.844 1.156 8.660 1.00 0.51 C ATOM 1208 C MET B 297 -2.019 0.285 9.073 1.00 0.46 C ATOM 1209 O MET B 297 -1.961 -0.427 10.079 1.00 0.47 O ATOM 1210 CB MET B 297 -1.057 2.593 9.150 1.00 0.60 C ATOM 1211 CG MET B 297 -1.305 2.700 10.650 1.00 0.95 C ATOM 1212 SD MET B 297 -1.759 4.371 11.167 1.00 1.26 S ATOM 1213 CE MET B 297 -0.224 5.247 10.885 1.00 1.48 C ATOM 0 H MET B 297 -0.901 2.017 6.753 1.00 0.49 H new ATOM 0 HA MET B 297 0.070 0.770 9.112 1.00 0.51 H new ATOM 0 HB2 MET B 297 -0.181 3.189 8.892 1.00 0.60 H new ATOM 0 HB3 MET B 297 -1.905 3.026 8.619 1.00 0.60 H new ATOM 0 HG2 MET B 297 -2.099 2.009 10.933 1.00 0.95 H new ATOM 0 HG3 MET B 297 -0.407 2.390 11.185 1.00 0.95 H new ATOM 0 HE1 MET B 297 -0.289 6.244 11.320 1.00 1.48 H new ATOM 0 HE2 MET B 297 0.597 4.701 11.349 1.00 1.48 H new ATOM 0 HE3 MET B 297 -0.044 5.330 9.813 1.00 1.48 H new ATOM 1223 N ILE B 298 -3.085 0.344 8.279 1.00 0.46 N ATOM 1224 CA ILE B 298 -4.280 -0.450 8.531 1.00 0.49 C ATOM 1225 C ILE B 298 -3.941 -1.933 8.468 1.00 0.48 C ATOM 1226 O ILE B 298 -4.516 -2.742 9.186 1.00 0.54 O ATOM 1227 CB ILE B 298 -5.405 -0.128 7.516 1.00 0.59 C ATOM 1228 CG1 ILE B 298 -5.863 1.327 7.668 1.00 0.61 C ATOM 1229 CG2 ILE B 298 -6.586 -1.077 7.685 1.00 0.70 C ATOM 1230 CD1 ILE B 298 -6.256 1.699 9.081 1.00 0.62 C ATOM 0 H ILE B 298 -3.143 0.938 7.452 1.00 0.46 H new ATOM 0 HA ILE B 298 -4.643 -0.197 9.527 1.00 0.49 H new ATOM 0 HB ILE B 298 -5.002 -0.266 6.513 1.00 0.59 H new ATOM 0 HG12 ILE B 298 -5.061 1.987 7.338 1.00 0.61 H new ATOM 0 HG13 ILE B 298 -6.712 1.502 7.007 1.00 0.61 H new ATOM 0 HG21 ILE B 298 -7.360 -0.827 6.960 1.00 0.70 H new ATOM 0 HG22 ILE B 298 -6.255 -2.103 7.523 1.00 0.70 H new ATOM 0 HG23 ILE B 298 -6.989 -0.981 8.693 1.00 0.70 H new ATOM 0 HD11 ILE B 298 -6.568 2.743 9.109 1.00 0.62 H new ATOM 0 HD12 ILE B 298 -7.080 1.065 9.408 1.00 0.62 H new ATOM 0 HD13 ILE B 298 -5.403 1.558 9.745 1.00 0.62 H new ATOM 1242 N LYS B 299 -2.982 -2.276 7.618 1.00 0.47 N ATOM 1243 CA LYS B 299 -2.554 -3.656 7.465 1.00 0.51 C ATOM 1244 C LYS B 299 -1.877 -4.141 8.737 1.00 0.54 C ATOM 1245 O LYS B 299 -2.162 -5.234 9.220 1.00 0.65 O ATOM 1246 CB LYS B 299 -1.597 -3.797 6.286 1.00 0.52 C ATOM 1247 CG LYS B 299 -1.515 -5.210 5.750 1.00 0.89 C ATOM 1248 CD LYS B 299 -0.560 -5.292 4.576 1.00 1.19 C ATOM 1249 CE LYS B 299 0.196 -6.608 4.551 1.00 1.15 C ATOM 1250 NZ LYS B 299 -0.432 -7.647 5.410 1.00 1.21 N ATOM 0 H LYS B 299 -2.485 -1.613 7.023 1.00 0.47 H new ATOM 0 HA LYS B 299 -3.436 -4.266 7.274 1.00 0.51 H new ATOM 0 HB2 LYS B 299 -1.916 -3.130 5.485 1.00 0.52 H new ATOM 0 HB3 LYS B 299 -0.602 -3.474 6.593 1.00 0.52 H new ATOM 0 HG2 LYS B 299 -1.184 -5.884 6.540 1.00 0.89 H new ATOM 0 HG3 LYS B 299 -2.506 -5.544 5.441 1.00 0.89 H new ATOM 0 HD2 LYS B 299 -1.117 -5.176 3.646 1.00 1.19 H new ATOM 0 HD3 LYS B 299 0.150 -4.467 4.627 1.00 1.19 H new ATOM 0 HE2 LYS B 299 0.248 -6.973 3.525 1.00 1.15 H new ATOM 0 HE3 LYS B 299 1.221 -6.440 4.882 1.00 1.15 H new ATOM 0 HZ1 LYS B 299 -0.158 -8.591 5.070 1.00 1.21 H new ATOM 0 HZ2 LYS B 299 -0.111 -7.526 6.392 1.00 1.21 H new ATOM 0 HZ3 LYS B 299 -1.467 -7.551 5.370 1.00 1.21 H new ATOM 1264 N ARG B 300 -0.983 -3.320 9.277 1.00 0.53 N ATOM 1265 CA ARG B 300 -0.289 -3.674 10.508 1.00 0.64 C ATOM 1266 C ARG B 300 -1.290 -3.734 11.656 1.00 0.65 C ATOM 1267 O ARG B 300 -1.169 -4.554 12.566 1.00 0.77 O ATOM 1268 CB ARG B 300 0.831 -2.677 10.816 1.00 0.71 C ATOM 1269 CG ARG B 300 2.122 -3.346 11.267 1.00 0.99 C ATOM 1270 CD ARG B 300 2.462 -3.013 12.713 1.00 1.31 C ATOM 1271 NE ARG B 300 3.176 -1.740 12.832 1.00 1.62 N ATOM 1272 CZ ARG B 300 3.098 -0.936 13.892 1.00 1.96 C ATOM 1273 NH1 ARG B 300 2.341 -1.270 14.930 1.00 2.28 N ATOM 1274 NH2 ARG B 300 3.782 0.204 13.916 1.00 2.51 N ATOM 0 H ARG B 300 -0.724 -2.414 8.886 1.00 0.53 H new ATOM 0 HA ARG B 300 0.171 -4.654 10.383 1.00 0.64 H new ATOM 0 HB2 ARG B 300 1.031 -2.079 9.927 1.00 0.71 H new ATOM 0 HB3 ARG B 300 0.494 -1.991 11.593 1.00 0.71 H new ATOM 0 HG2 ARG B 300 2.028 -4.426 11.156 1.00 0.99 H new ATOM 0 HG3 ARG B 300 2.940 -3.029 10.620 1.00 0.99 H new ATOM 0 HD2 ARG B 300 1.545 -2.970 13.300 1.00 1.31 H new ATOM 0 HD3 ARG B 300 3.073 -3.811 13.134 1.00 1.31 H new ATOM 0 HE ARG B 300 3.770 -1.451 12.055 1.00 1.62 H new ATOM 0 HH11 ARG B 300 1.816 -2.145 14.918 1.00 2.28 H new ATOM 0 HH12 ARG B 300 2.284 -0.652 15.739 1.00 2.28 H new ATOM 0 HH21 ARG B 300 4.367 0.464 13.122 1.00 2.51 H new ATOM 0 HH22 ARG B 300 3.721 0.818 14.728 1.00 2.51 H new ATOM 1288 N SER B 301 -2.290 -2.862 11.591 1.00 0.57 N ATOM 1289 CA SER B 301 -3.341 -2.833 12.595 1.00 0.62 C ATOM 1290 C SER B 301 -4.220 -4.070 12.437 1.00 0.71 C ATOM 1291 O SER B 301 -4.710 -4.628 13.416 1.00 0.81 O ATOM 1292 CB SER B 301 -4.176 -1.559 12.456 1.00 0.59 C ATOM 1293 OG SER B 301 -3.342 -0.412 12.429 1.00 0.58 O ATOM 0 H SER B 301 -2.393 -2.166 10.852 1.00 0.57 H new ATOM 0 HA SER B 301 -2.893 -2.835 13.589 1.00 0.62 H new ATOM 0 HB2 SER B 301 -4.769 -1.605 11.542 1.00 0.59 H new ATOM 0 HB3 SER B 301 -4.877 -1.485 13.288 1.00 0.59 H new ATOM 0 HG SER B 301 -2.930 -0.328 11.544 1.00 0.58 H new ATOM 1299 N LYS B 302 -4.403 -4.498 11.190 1.00 0.72 N ATOM 1300 CA LYS B 302 -5.191 -5.681 10.891 1.00 0.86 C ATOM 1301 C LYS B 302 -4.441 -6.914 11.367 1.00 0.97 C ATOM 1302 O LYS B 302 -5.042 -7.883 11.824 1.00 1.11 O ATOM 1303 CB LYS B 302 -5.485 -5.775 9.391 1.00 0.89 C ATOM 1304 CG LYS B 302 -6.592 -6.757 9.039 1.00 1.18 C ATOM 1305 CD LYS B 302 -7.927 -6.340 9.643 1.00 1.42 C ATOM 1306 CE LYS B 302 -9.064 -7.210 9.132 1.00 1.92 C ATOM 1307 NZ LYS B 302 -10.356 -6.897 9.800 1.00 2.25 N ATOM 0 H LYS B 302 -4.012 -4.037 10.369 1.00 0.72 H new ATOM 0 HA LYS B 302 -6.146 -5.615 11.412 1.00 0.86 H new ATOM 0 HB2 LYS B 302 -5.759 -4.787 9.022 1.00 0.89 H new ATOM 0 HB3 LYS B 302 -4.574 -6.068 8.870 1.00 0.89 H new ATOM 0 HG2 LYS B 302 -6.688 -6.824 7.955 1.00 1.18 H new ATOM 0 HG3 LYS B 302 -6.325 -7.751 9.398 1.00 1.18 H new ATOM 0 HD2 LYS B 302 -7.874 -6.410 10.729 1.00 1.42 H new ATOM 0 HD3 LYS B 302 -8.128 -5.297 9.400 1.00 1.42 H new ATOM 0 HE2 LYS B 302 -9.170 -7.071 8.056 1.00 1.92 H new ATOM 0 HE3 LYS B 302 -8.818 -8.259 9.295 1.00 1.92 H new ATOM 0 HZ1 LYS B 302 -11.102 -7.514 9.420 1.00 2.25 H new ATOM 0 HZ2 LYS B 302 -10.264 -7.054 10.824 1.00 2.25 H new ATOM 0 HZ3 LYS B 302 -10.606 -5.903 9.624 1.00 2.25 H new ATOM 1321 N LYS B 303 -3.117 -6.864 11.259 1.00 0.94 N ATOM 1322 CA LYS B 303 -2.269 -7.953 11.717 1.00 1.09 C ATOM 1323 C LYS B 303 -2.440 -8.094 13.223 1.00 1.16 C ATOM 1324 O LYS B 303 -2.518 -9.199 13.764 1.00 1.31 O ATOM 1325 CB LYS B 303 -0.803 -7.669 11.373 1.00 1.09 C ATOM 1326 CG LYS B 303 0.099 -8.889 11.480 1.00 1.32 C ATOM 1327 CD LYS B 303 1.507 -8.507 11.910 1.00 1.45 C ATOM 1328 CE LYS B 303 2.552 -8.959 10.903 1.00 1.71 C ATOM 1329 NZ LYS B 303 3.070 -7.828 10.087 1.00 1.76 N ATOM 0 H LYS B 303 -2.609 -6.077 10.856 1.00 0.94 H new ATOM 0 HA LYS B 303 -2.557 -8.880 11.221 1.00 1.09 H new ATOM 0 HB2 LYS B 303 -0.747 -7.275 10.358 1.00 1.09 H new ATOM 0 HB3 LYS B 303 -0.427 -6.891 12.038 1.00 1.09 H new ATOM 0 HG2 LYS B 303 -0.323 -9.593 12.197 1.00 1.32 H new ATOM 0 HG3 LYS B 303 0.138 -9.400 10.518 1.00 1.32 H new ATOM 0 HD2 LYS B 303 1.567 -7.426 12.035 1.00 1.45 H new ATOM 0 HD3 LYS B 303 1.723 -8.952 12.881 1.00 1.45 H new ATOM 0 HE2 LYS B 303 3.380 -9.435 11.429 1.00 1.71 H new ATOM 0 HE3 LYS B 303 2.118 -9.712 10.244 1.00 1.71 H new ATOM 0 HZ1 LYS B 303 3.300 -8.167 9.131 1.00 1.76 H new ATOM 0 HZ2 LYS B 303 2.346 -7.084 10.026 1.00 1.76 H new ATOM 0 HZ3 LYS B 303 3.926 -7.442 10.533 1.00 1.76 H new ATOM 1343 N ASN B 304 -2.522 -6.943 13.886 1.00 1.06 N ATOM 1344 CA ASN B 304 -2.720 -6.888 15.324 1.00 1.14 C ATOM 1345 C ASN B 304 -4.128 -7.370 15.661 1.00 1.20 C ATOM 1346 O ASN B 304 -4.340 -8.063 16.652 1.00 1.34 O ATOM 1347 CB ASN B 304 -2.507 -5.460 15.830 1.00 1.05 C ATOM 1348 CG ASN B 304 -2.304 -5.395 17.330 1.00 1.19 C ATOM 1349 OD1 ASN B 304 -1.802 -6.337 17.945 1.00 1.58 O ATOM 1350 ND2 ASN B 304 -2.685 -4.284 17.934 1.00 1.62 N ATOM 0 H ASN B 304 -2.453 -6.028 13.440 1.00 1.06 H new ATOM 0 HA ASN B 304 -1.995 -7.537 15.815 1.00 1.14 H new ATOM 0 HB2 ASN B 304 -1.640 -5.028 15.331 1.00 1.05 H new ATOM 0 HB3 ASN B 304 -3.368 -4.850 15.557 1.00 1.05 H new ATOM 0 HD21 ASN B 304 -2.567 -4.186 18.942 1.00 1.62 H new ATOM 0 HD22 ASN B 304 -3.097 -3.524 17.392 1.00 1.62 H new ATOM 1357 N SER B 305 -5.083 -7.000 14.810 1.00 1.14 N ATOM 1358 CA SER B 305 -6.468 -7.412 14.976 1.00 1.25 C ATOM 1359 C SER B 305 -6.570 -8.926 14.822 1.00 1.42 C ATOM 1360 O SER B 305 -7.344 -9.579 15.516 1.00 1.57 O ATOM 1361 CB SER B 305 -7.360 -6.704 13.946 1.00 1.22 C ATOM 1362 OG SER B 305 -8.736 -6.968 14.174 1.00 1.68 O ATOM 0 H SER B 305 -4.917 -6.411 13.994 1.00 1.14 H new ATOM 0 HA SER B 305 -6.810 -7.133 15.972 1.00 1.25 H new ATOM 0 HB2 SER B 305 -7.184 -5.629 13.989 1.00 1.22 H new ATOM 0 HB3 SER B 305 -7.088 -7.032 12.943 1.00 1.22 H new ATOM 0 HG SER B 305 -9.275 -6.501 13.502 1.00 1.68 H new TER 1368 SER B 305 HETATM 1369 CA CA A1000 -1.346 -5.882 -10.338 1.00 0.75 CA HETATM 1370 CA CA A1001 6.019 4.141 -11.782 1.00 0.66 CA