USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 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 175:sc= -3.92! (180deg=-4.12!) USER MOD Set 1.2: A 124 MET CE :methyl 167:sc= -5.24 (180deg=-6.22!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -159:sc= 0.908 (180deg=-0.647) USER MOD Set 2.2: A 107 HIS : no HD1:sc= 0.964 K(o=1.9,f=-12!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00821 USER MOD Single : A 110 THR OG1 : rot -161:sc= 1.3 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -176:sc= 0.749 (180deg=0.747) USER MOD Single : A 117 THR OG1 : rot -80:sc= 0.69 USER MOD Single : A 135 GLN : amide:sc= -0.973! K(o=-0.97!,f=-0.17) USER MOD Single : A 137 ASN : amide:sc= -0.226 K(o=-0.23,f=-9.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.0406 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 144 MET CE :methyl -150:sc= -2.97 (180deg=-6.87!) USER MOD Single : A 145 MET CE :methyl -146:sc= -4.6! (180deg=-5.8!) USER MOD Single : A 146 THR OG1 : rot 79:sc= 1.17 USER MOD Single : A 148 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.2) USER MOD Single : B 290 ASN : amide:sc= 0.0361 K(o=0.036,f=-2.5!) USER MOD Single : B 294 SER OG : rot 54:sc= 0.845 USER MOD Single : B 297 MET CE :methyl -168:sc= -0.203 (180deg=-0.505) USER MOD Single : B 299 LYS NZ :NH3+ -161:sc= 1.74 (180deg=0.683) USER MOD Single : B 301 SER OG : rot 60:sc= 1.12 USER MOD Single : B 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 303 LYS NZ :NH3+ -153:sc= 0.356 (180deg=-0.37!) USER MOD Single : B 304 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 305 SER OG : rot 72:sc= 0.29 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 82 9.928 -4.659 7.502 1.00 1.91 N ATOM 2 CA GLU A 82 9.622 -4.354 6.082 1.00 1.66 C ATOM 3 C GLU A 82 8.612 -5.354 5.518 1.00 1.50 C ATOM 4 O GLU A 82 8.162 -5.222 4.375 1.00 1.46 O ATOM 5 CB GLU A 82 10.903 -4.390 5.239 1.00 1.88 C ATOM 6 CG GLU A 82 12.162 -3.969 5.991 1.00 2.18 C ATOM 7 CD GLU A 82 12.054 -2.588 6.612 1.00 2.30 C ATOM 8 OE1 GLU A 82 11.497 -2.477 7.725 1.00 2.34 O ATOM 9 OE2 GLU A 82 12.534 -1.616 5.999 1.00 2.82 O ATOM 0 HA GLU A 82 9.191 -3.354 6.039 1.00 1.66 H new ATOM 0 HB2 GLU A 82 11.044 -5.401 4.856 1.00 1.88 H new ATOM 0 HB3 GLU A 82 10.774 -3.737 4.376 1.00 1.88 H new ATOM 0 HG2 GLU A 82 12.370 -4.697 6.775 1.00 2.18 H new ATOM 0 HG3 GLU A 82 13.010 -3.987 5.306 1.00 2.18 H new ATOM 18 N GLU A 83 8.245 -6.344 6.327 1.00 1.55 N ATOM 19 CA GLU A 83 7.301 -7.374 5.904 1.00 1.51 C ATOM 20 C GLU A 83 5.907 -6.805 5.695 1.00 1.36 C ATOM 21 O GLU A 83 5.219 -7.198 4.756 1.00 1.32 O ATOM 22 CB GLU A 83 7.248 -8.503 6.927 1.00 1.74 C ATOM 23 CG GLU A 83 8.567 -9.230 7.088 1.00 1.98 C ATOM 24 CD GLU A 83 8.480 -10.368 8.077 1.00 2.20 C ATOM 25 OE1 GLU A 83 8.218 -10.105 9.269 1.00 2.36 O ATOM 26 OE2 GLU A 83 8.683 -11.531 7.668 1.00 2.61 O ATOM 0 H GLU A 83 8.588 -6.455 7.281 1.00 1.55 H new ATOM 0 HA GLU A 83 7.654 -7.767 4.951 1.00 1.51 H new ATOM 0 HB2 GLU A 83 6.946 -8.095 7.892 1.00 1.74 H new ATOM 0 HB3 GLU A 83 6.481 -9.218 6.629 1.00 1.74 H new ATOM 0 HG2 GLU A 83 8.886 -9.617 6.120 1.00 1.98 H new ATOM 0 HG3 GLU A 83 9.330 -8.524 7.416 1.00 1.98 H new ATOM 33 N GLU A 84 5.493 -5.890 6.568 1.00 1.33 N ATOM 34 CA GLU A 84 4.172 -5.272 6.456 1.00 1.24 C ATOM 35 C GLU A 84 4.023 -4.610 5.098 1.00 1.17 C ATOM 36 O GLU A 84 3.000 -4.755 4.431 1.00 1.15 O ATOM 37 CB GLU A 84 3.958 -4.227 7.555 1.00 1.31 C ATOM 38 CG GLU A 84 2.740 -4.497 8.420 1.00 1.18 C ATOM 39 CD GLU A 84 2.940 -5.695 9.320 1.00 1.21 C ATOM 40 OE1 GLU A 84 3.751 -5.610 10.263 1.00 1.78 O ATOM 41 OE2 GLU A 84 2.299 -6.734 9.081 1.00 1.69 O ATOM 0 H GLU A 84 6.049 -5.561 7.357 1.00 1.33 H new ATOM 0 HA GLU A 84 3.423 -6.056 6.569 1.00 1.24 H new ATOM 0 HB2 GLU A 84 4.844 -4.192 8.189 1.00 1.31 H new ATOM 0 HB3 GLU A 84 3.856 -3.244 7.095 1.00 1.31 H new ATOM 0 HG2 GLU A 84 2.525 -3.618 9.028 1.00 1.18 H new ATOM 0 HG3 GLU A 84 1.872 -4.663 7.782 1.00 1.18 H new ATOM 48 N ILE A 85 5.068 -3.910 4.688 1.00 1.16 N ATOM 49 CA ILE A 85 5.074 -3.207 3.416 1.00 1.13 C ATOM 50 C ILE A 85 5.078 -4.191 2.247 1.00 1.09 C ATOM 51 O ILE A 85 4.292 -4.052 1.309 1.00 1.08 O ATOM 52 CB ILE A 85 6.288 -2.257 3.311 1.00 1.16 C ATOM 53 CG1 ILE A 85 6.509 -1.549 4.656 1.00 1.23 C ATOM 54 CG2 ILE A 85 6.081 -1.245 2.190 1.00 1.15 C ATOM 55 CD1 ILE A 85 7.349 -0.294 4.569 1.00 1.33 C ATOM 0 H ILE A 85 5.931 -3.813 5.224 1.00 1.16 H new ATOM 0 HA ILE A 85 4.163 -2.611 3.367 1.00 1.13 H new ATOM 0 HB ILE A 85 7.177 -2.840 3.073 1.00 1.16 H new ATOM 0 HG12 ILE A 85 5.539 -1.294 5.083 1.00 1.23 H new ATOM 0 HG13 ILE A 85 6.987 -2.245 5.345 1.00 1.23 H new ATOM 0 HG21 ILE A 85 6.946 -0.585 2.132 1.00 1.15 H new ATOM 0 HG22 ILE A 85 5.961 -1.771 1.243 1.00 1.15 H new ATOM 0 HG23 ILE A 85 5.187 -0.655 2.393 1.00 1.15 H new ATOM 0 HD11 ILE A 85 7.455 0.142 5.562 1.00 1.33 H new ATOM 0 HD12 ILE A 85 8.334 -0.542 4.174 1.00 1.33 H new ATOM 0 HD13 ILE A 85 6.864 0.424 3.908 1.00 1.33 H new ATOM 67 N ARG A 86 5.935 -5.205 2.325 1.00 1.12 N ATOM 68 CA ARG A 86 6.021 -6.205 1.262 1.00 1.13 C ATOM 69 C ARG A 86 4.709 -6.970 1.132 1.00 1.11 C ATOM 70 O ARG A 86 4.218 -7.195 0.024 1.00 1.09 O ATOM 71 CB ARG A 86 7.161 -7.189 1.522 1.00 1.24 C ATOM 72 CG ARG A 86 7.286 -8.253 0.437 1.00 1.32 C ATOM 73 CD ARG A 86 7.213 -9.661 1.008 1.00 1.50 C ATOM 74 NE ARG A 86 8.538 -10.223 1.252 1.00 1.70 N ATOM 75 CZ ARG A 86 8.749 -11.397 1.841 1.00 1.95 C ATOM 76 NH1 ARG A 86 7.714 -12.121 2.256 1.00 2.05 N ATOM 77 NH2 ARG A 86 9.991 -11.848 2.005 1.00 2.26 N ATOM 0 H ARG A 86 6.575 -5.357 3.105 1.00 1.12 H new ATOM 0 HA ARG A 86 6.220 -5.675 0.330 1.00 1.13 H new ATOM 0 HB2 ARG A 86 8.099 -6.639 1.594 1.00 1.24 H new ATOM 0 HB3 ARG A 86 7.002 -7.676 2.484 1.00 1.24 H new ATOM 0 HG2 ARG A 86 6.491 -8.118 -0.297 1.00 1.32 H new ATOM 0 HG3 ARG A 86 8.231 -8.124 -0.090 1.00 1.32 H new ATOM 0 HD2 ARG A 86 6.649 -9.645 1.941 1.00 1.50 H new ATOM 0 HD3 ARG A 86 6.668 -10.304 0.317 1.00 1.50 H new ATOM 0 HE ARG A 86 9.350 -9.683 0.953 1.00 1.70 H new ATOM 0 HH11 ARG A 86 6.764 -11.776 2.122 1.00 2.05 H new ATOM 0 HH12 ARG A 86 7.870 -13.022 2.708 1.00 2.05 H new ATOM 0 HH21 ARG A 86 10.782 -11.293 1.679 1.00 2.26 H new ATOM 0 HH22 ARG A 86 10.151 -12.748 2.457 1.00 2.26 H new ATOM 91 N GLU A 87 4.151 -7.369 2.268 1.00 1.14 N ATOM 92 CA GLU A 87 2.900 -8.107 2.287 1.00 1.16 C ATOM 93 C GLU A 87 1.770 -7.236 1.761 1.00 1.05 C ATOM 94 O GLU A 87 0.918 -7.706 1.010 1.00 1.05 O ATOM 95 CB GLU A 87 2.582 -8.589 3.698 1.00 1.26 C ATOM 96 CG GLU A 87 1.444 -9.592 3.750 1.00 1.38 C ATOM 97 CD GLU A 87 1.257 -10.185 5.124 1.00 1.62 C ATOM 98 OE1 GLU A 87 2.039 -11.080 5.502 1.00 1.91 O ATOM 99 OE2 GLU A 87 0.333 -9.750 5.840 1.00 1.88 O ATOM 0 H GLU A 87 4.549 -7.192 3.190 1.00 1.14 H new ATOM 0 HA GLU A 87 3.003 -8.979 1.641 1.00 1.16 H new ATOM 0 HB2 GLU A 87 3.475 -9.041 4.129 1.00 1.26 H new ATOM 0 HB3 GLU A 87 2.328 -7.730 4.319 1.00 1.26 H new ATOM 0 HG2 GLU A 87 0.520 -9.104 3.440 1.00 1.38 H new ATOM 0 HG3 GLU A 87 1.637 -10.393 3.036 1.00 1.38 H new ATOM 106 N ALA A 88 1.776 -5.964 2.149 1.00 1.00 N ATOM 107 CA ALA A 88 0.759 -5.026 1.692 1.00 0.91 C ATOM 108 C ALA A 88 0.748 -4.985 0.174 1.00 0.82 C ATOM 109 O ALA A 88 -0.304 -5.089 -0.452 1.00 0.80 O ATOM 110 CB ALA A 88 1.002 -3.636 2.263 1.00 0.91 C ATOM 0 H ALA A 88 2.472 -5.561 2.777 1.00 1.00 H new ATOM 0 HA ALA A 88 -0.214 -5.365 2.048 1.00 0.91 H new ATOM 0 HB1 ALA A 88 0.229 -2.956 1.906 1.00 0.91 H new ATOM 0 HB2 ALA A 88 0.973 -3.680 3.352 1.00 0.91 H new ATOM 0 HB3 ALA A 88 1.979 -3.276 1.941 1.00 0.91 H new ATOM 116 N PHE A 89 1.937 -4.880 -0.406 1.00 0.80 N ATOM 117 CA PHE A 89 2.097 -4.843 -1.854 1.00 0.73 C ATOM 118 C PHE A 89 1.501 -6.102 -2.487 1.00 0.76 C ATOM 119 O PHE A 89 0.808 -6.033 -3.501 1.00 0.75 O ATOM 120 CB PHE A 89 3.585 -4.726 -2.208 1.00 0.74 C ATOM 121 CG PHE A 89 3.847 -4.509 -3.669 1.00 0.66 C ATOM 122 CD1 PHE A 89 3.649 -3.266 -4.242 1.00 0.66 C ATOM 123 CD2 PHE A 89 4.299 -5.548 -4.467 1.00 0.84 C ATOM 124 CE1 PHE A 89 3.891 -3.061 -5.583 1.00 0.67 C ATOM 125 CE2 PHE A 89 4.545 -5.346 -5.811 1.00 0.86 C ATOM 126 CZ PHE A 89 4.341 -4.101 -6.368 1.00 0.70 C ATOM 0 H PHE A 89 2.814 -4.818 0.111 1.00 0.80 H new ATOM 0 HA PHE A 89 1.568 -3.975 -2.247 1.00 0.73 H new ATOM 0 HB2 PHE A 89 4.019 -3.900 -1.645 1.00 0.74 H new ATOM 0 HB3 PHE A 89 4.097 -5.633 -1.888 1.00 0.74 H new ATOM 0 HD1 PHE A 89 3.301 -2.446 -3.631 1.00 0.66 H new ATOM 0 HD2 PHE A 89 4.460 -6.524 -4.034 1.00 0.84 H new ATOM 0 HE1 PHE A 89 3.728 -2.086 -6.019 1.00 0.67 H new ATOM 0 HE2 PHE A 89 4.897 -6.162 -6.425 1.00 0.86 H new ATOM 0 HZ PHE A 89 4.534 -3.941 -7.419 1.00 0.70 H new ATOM 136 N ARG A 90 1.762 -7.245 -1.860 1.00 0.84 N ATOM 137 CA ARG A 90 1.258 -8.524 -2.344 1.00 0.92 C ATOM 138 C ARG A 90 -0.268 -8.582 -2.264 1.00 0.96 C ATOM 139 O ARG A 90 -0.928 -9.056 -3.187 1.00 1.01 O ATOM 140 CB ARG A 90 1.876 -9.671 -1.531 1.00 1.06 C ATOM 141 CG ARG A 90 1.134 -10.999 -1.654 1.00 1.20 C ATOM 142 CD ARG A 90 1.441 -11.705 -2.967 1.00 1.21 C ATOM 143 NE ARG A 90 0.839 -11.030 -4.117 1.00 1.15 N ATOM 144 CZ ARG A 90 1.404 -10.966 -5.323 1.00 1.42 C ATOM 145 NH1 ARG A 90 2.580 -11.543 -5.542 1.00 1.84 N ATOM 146 NH2 ARG A 90 0.789 -10.328 -6.305 1.00 1.56 N ATOM 0 H ARG A 90 2.323 -7.310 -1.011 1.00 0.84 H new ATOM 0 HA ARG A 90 1.544 -8.630 -3.390 1.00 0.92 H new ATOM 0 HB2 ARG A 90 2.908 -9.814 -1.852 1.00 1.06 H new ATOM 0 HB3 ARG A 90 1.906 -9.381 -0.481 1.00 1.06 H new ATOM 0 HG2 ARG A 90 1.409 -11.646 -0.821 1.00 1.20 H new ATOM 0 HG3 ARG A 90 0.061 -10.823 -1.580 1.00 1.20 H new ATOM 0 HD2 ARG A 90 2.521 -11.757 -3.104 1.00 1.21 H new ATOM 0 HD3 ARG A 90 1.076 -12.731 -2.919 1.00 1.21 H new ATOM 0 HE ARG A 90 -0.068 -10.581 -3.988 1.00 1.15 H new ATOM 0 HH11 ARG A 90 3.054 -12.037 -4.786 1.00 1.84 H new ATOM 0 HH12 ARG A 90 3.009 -11.492 -6.466 1.00 1.84 H new ATOM 0 HH21 ARG A 90 -0.115 -9.886 -6.139 1.00 1.56 H new ATOM 0 HH22 ARG A 90 1.219 -10.278 -7.229 1.00 1.56 H new ATOM 160 N VAL A 91 -0.815 -8.101 -1.154 1.00 0.98 N ATOM 161 CA VAL A 91 -2.258 -8.098 -0.949 1.00 1.05 C ATOM 162 C VAL A 91 -2.941 -7.120 -1.903 1.00 0.96 C ATOM 163 O VAL A 91 -4.054 -7.364 -2.369 1.00 1.03 O ATOM 164 CB VAL A 91 -2.623 -7.741 0.513 1.00 1.14 C ATOM 165 CG1 VAL A 91 -4.134 -7.689 0.705 1.00 1.23 C ATOM 166 CG2 VAL A 91 -2.002 -8.742 1.476 1.00 1.24 C ATOM 0 H VAL A 91 -0.279 -7.707 -0.380 1.00 0.98 H new ATOM 0 HA VAL A 91 -2.615 -9.107 -1.157 1.00 1.05 H new ATOM 0 HB VAL A 91 -2.220 -6.751 0.728 1.00 1.14 H new ATOM 0 HG11 VAL A 91 -4.361 -7.436 1.741 1.00 1.23 H new ATOM 0 HG12 VAL A 91 -4.559 -6.932 0.045 1.00 1.23 H new ATOM 0 HG13 VAL A 91 -4.565 -8.661 0.466 1.00 1.23 H new ATOM 0 HG21 VAL A 91 -2.268 -8.476 2.499 1.00 1.24 H new ATOM 0 HG22 VAL A 91 -2.374 -9.742 1.252 1.00 1.24 H new ATOM 0 HG23 VAL A 91 -0.917 -8.726 1.368 1.00 1.24 H new ATOM 176 N PHE A 92 -2.267 -6.015 -2.195 1.00 0.85 N ATOM 177 CA PHE A 92 -2.812 -5.006 -3.094 1.00 0.79 C ATOM 178 C PHE A 92 -2.757 -5.502 -4.534 1.00 0.77 C ATOM 179 O PHE A 92 -3.679 -5.262 -5.317 1.00 0.79 O ATOM 180 CB PHE A 92 -2.054 -3.680 -2.955 1.00 0.71 C ATOM 181 CG PHE A 92 -2.143 -3.048 -1.591 1.00 0.78 C ATOM 182 CD1 PHE A 92 -3.124 -3.429 -0.684 1.00 0.95 C ATOM 183 CD2 PHE A 92 -1.235 -2.072 -1.216 1.00 0.92 C ATOM 184 CE1 PHE A 92 -3.191 -2.850 0.567 1.00 1.02 C ATOM 185 CE2 PHE A 92 -1.301 -1.487 0.034 1.00 1.06 C ATOM 186 CZ PHE A 92 -2.278 -1.876 0.927 1.00 1.02 C ATOM 0 H PHE A 92 -1.343 -5.795 -1.823 1.00 0.85 H new ATOM 0 HA PHE A 92 -3.852 -4.830 -2.821 1.00 0.79 H new ATOM 0 HB2 PHE A 92 -1.004 -3.850 -3.195 1.00 0.71 H new ATOM 0 HB3 PHE A 92 -2.440 -2.977 -3.693 1.00 0.71 H new ATOM 0 HD1 PHE A 92 -3.842 -4.187 -0.961 1.00 0.95 H new ATOM 0 HD2 PHE A 92 -0.466 -1.764 -1.909 1.00 0.92 H new ATOM 0 HE1 PHE A 92 -3.956 -3.158 1.264 1.00 1.02 H new ATOM 0 HE2 PHE A 92 -0.588 -0.725 0.312 1.00 1.06 H new ATOM 0 HZ PHE A 92 -2.330 -1.421 1.905 1.00 1.02 H new ATOM 196 N ASP A 93 -1.678 -6.202 -4.873 1.00 0.75 N ATOM 197 CA ASP A 93 -1.513 -6.748 -6.213 1.00 0.75 C ATOM 198 C ASP A 93 -2.268 -8.066 -6.332 1.00 0.86 C ATOM 199 O ASP A 93 -1.691 -9.149 -6.213 1.00 0.95 O ATOM 200 CB ASP A 93 -0.032 -6.949 -6.540 1.00 0.72 C ATOM 201 CG ASP A 93 0.190 -7.260 -8.007 1.00 0.72 C ATOM 202 OD1 ASP A 93 -0.119 -6.399 -8.856 1.00 0.76 O ATOM 203 OD2 ASP A 93 0.670 -8.363 -8.326 1.00 0.79 O ATOM 0 H ASP A 93 -0.906 -6.403 -4.237 1.00 0.75 H new ATOM 0 HA ASP A 93 -1.923 -6.038 -6.931 1.00 0.75 H new ATOM 0 HB2 ASP A 93 0.523 -6.050 -6.272 1.00 0.72 H new ATOM 0 HB3 ASP A 93 0.366 -7.762 -5.933 1.00 0.72 H new ATOM 208 N LYS A 94 -3.566 -7.960 -6.567 1.00 0.97 N ATOM 209 CA LYS A 94 -4.430 -9.129 -6.674 1.00 1.10 C ATOM 210 C LYS A 94 -4.360 -9.758 -8.059 1.00 1.11 C ATOM 211 O LYS A 94 -4.782 -10.900 -8.248 1.00 1.21 O ATOM 212 CB LYS A 94 -5.881 -8.749 -6.352 1.00 1.23 C ATOM 213 CG LYS A 94 -6.079 -8.268 -4.924 1.00 1.28 C ATOM 214 CD LYS A 94 -6.674 -6.872 -4.885 1.00 1.11 C ATOM 215 CE LYS A 94 -6.739 -6.336 -3.465 1.00 1.19 C ATOM 216 NZ LYS A 94 -7.157 -4.909 -3.434 1.00 1.18 N ATOM 0 H LYS A 94 -4.049 -7.070 -6.688 1.00 0.97 H new ATOM 0 HA LYS A 94 -4.076 -9.864 -5.951 1.00 1.10 H new ATOM 0 HB2 LYS A 94 -6.204 -7.967 -7.039 1.00 1.23 H new ATOM 0 HB3 LYS A 94 -6.522 -9.613 -6.528 1.00 1.23 H new ATOM 0 HG2 LYS A 94 -6.734 -8.959 -4.394 1.00 1.28 H new ATOM 0 HG3 LYS A 94 -5.122 -8.272 -4.402 1.00 1.28 H new ATOM 0 HD2 LYS A 94 -6.074 -6.202 -5.501 1.00 1.11 H new ATOM 0 HD3 LYS A 94 -7.675 -6.890 -5.315 1.00 1.11 H new ATOM 0 HE2 LYS A 94 -7.440 -6.933 -2.882 1.00 1.19 H new ATOM 0 HE3 LYS A 94 -5.762 -6.439 -2.992 1.00 1.19 H new ATOM 0 HZ1 LYS A 94 -6.858 -4.479 -2.536 1.00 1.18 H new ATOM 0 HZ2 LYS A 94 -6.714 -4.400 -4.226 1.00 1.18 H new ATOM 0 HZ3 LYS A 94 -8.192 -4.848 -3.519 1.00 1.18 H new ATOM 230 N ASP A 95 -3.829 -9.022 -9.028 1.00 1.06 N ATOM 231 CA ASP A 95 -3.734 -9.541 -10.387 1.00 1.11 C ATOM 232 C ASP A 95 -2.505 -10.444 -10.531 1.00 1.06 C ATOM 233 O ASP A 95 -2.485 -11.343 -11.369 1.00 1.15 O ATOM 234 CB ASP A 95 -3.726 -8.402 -11.418 1.00 1.13 C ATOM 235 CG ASP A 95 -2.339 -7.923 -11.775 1.00 1.00 C ATOM 236 OD1 ASP A 95 -1.743 -7.159 -10.983 1.00 0.89 O ATOM 237 OD2 ASP A 95 -1.845 -8.296 -12.852 1.00 1.36 O ATOM 0 H ASP A 95 -3.463 -8.078 -8.902 1.00 1.06 H new ATOM 0 HA ASP A 95 -4.618 -10.146 -10.586 1.00 1.11 H new ATOM 0 HB2 ASP A 95 -4.230 -8.739 -12.324 1.00 1.13 H new ATOM 0 HB3 ASP A 95 -4.302 -7.564 -11.026 1.00 1.13 H new ATOM 242 N GLY A 96 -1.488 -10.201 -9.708 1.00 0.97 N ATOM 243 CA GLY A 96 -0.296 -11.035 -9.730 1.00 0.97 C ATOM 244 C GLY A 96 0.766 -10.604 -10.726 1.00 0.91 C ATOM 245 O GLY A 96 1.597 -11.418 -11.138 1.00 1.02 O ATOM 0 H GLY A 96 -1.467 -9.442 -9.026 1.00 0.97 H new ATOM 0 HA2 GLY A 96 0.143 -11.042 -8.733 1.00 0.97 H new ATOM 0 HA3 GLY A 96 -0.591 -12.060 -9.956 1.00 0.97 H new ATOM 249 N ASN A 97 0.770 -9.338 -11.115 1.00 0.84 N ATOM 250 CA ASN A 97 1.774 -8.860 -12.064 1.00 0.82 C ATOM 251 C ASN A 97 2.942 -8.196 -11.341 1.00 0.72 C ATOM 252 O ASN A 97 3.962 -7.883 -11.952 1.00 0.73 O ATOM 253 CB ASN A 97 1.163 -7.913 -13.110 1.00 0.86 C ATOM 254 CG ASN A 97 0.934 -6.492 -12.614 1.00 0.76 C ATOM 255 OD1 ASN A 97 0.606 -6.259 -11.447 1.00 0.73 O ATOM 256 ND2 ASN A 97 1.090 -5.527 -13.507 1.00 0.80 N ATOM 0 H ASN A 97 0.105 -8.632 -10.798 1.00 0.84 H new ATOM 0 HA ASN A 97 2.157 -9.731 -12.596 1.00 0.82 H new ATOM 0 HB2 ASN A 97 1.819 -7.880 -13.980 1.00 0.86 H new ATOM 0 HB3 ASN A 97 0.211 -8.326 -13.444 1.00 0.86 H new ATOM 0 HD21 ASN A 97 0.938 -4.555 -13.239 1.00 0.80 H new ATOM 0 HD22 ASN A 97 1.362 -5.756 -14.463 1.00 0.80 H new ATOM 263 N GLY A 98 2.797 -7.997 -10.037 1.00 0.67 N ATOM 264 CA GLY A 98 3.858 -7.384 -9.256 1.00 0.64 C ATOM 265 C GLY A 98 3.878 -5.875 -9.396 1.00 0.57 C ATOM 266 O GLY A 98 4.899 -5.232 -9.158 1.00 0.62 O ATOM 0 H GLY A 98 1.964 -8.249 -9.505 1.00 0.67 H new ATOM 0 HA2 GLY A 98 3.732 -7.647 -8.206 1.00 0.64 H new ATOM 0 HA3 GLY A 98 4.819 -7.789 -9.573 1.00 0.64 H new ATOM 270 N TYR A 99 2.750 -5.316 -9.809 1.00 0.54 N ATOM 271 CA TYR A 99 2.615 -3.875 -9.989 1.00 0.51 C ATOM 272 C TYR A 99 1.210 -3.435 -9.606 1.00 0.50 C ATOM 273 O TYR A 99 0.223 -4.039 -10.042 1.00 0.63 O ATOM 274 CB TYR A 99 2.880 -3.473 -11.450 1.00 0.57 C ATOM 275 CG TYR A 99 4.278 -3.770 -11.948 1.00 0.64 C ATOM 276 CD1 TYR A 99 5.298 -2.838 -11.809 1.00 0.85 C ATOM 277 CD2 TYR A 99 4.574 -4.976 -12.565 1.00 0.74 C ATOM 278 CE1 TYR A 99 6.574 -3.102 -12.272 1.00 1.05 C ATOM 279 CE2 TYR A 99 5.846 -5.250 -13.028 1.00 0.92 C ATOM 280 CZ TYR A 99 6.843 -4.311 -12.880 1.00 1.04 C ATOM 281 OH TYR A 99 8.111 -4.579 -13.346 1.00 1.29 O ATOM 0 H TYR A 99 1.905 -5.844 -10.028 1.00 0.54 H new ATOM 0 HA TYR A 99 3.350 -3.387 -9.348 1.00 0.51 H new ATOM 0 HB2 TYR A 99 2.165 -3.990 -12.089 1.00 0.57 H new ATOM 0 HB3 TYR A 99 2.691 -2.405 -11.558 1.00 0.57 H new ATOM 0 HD1 TYR A 99 5.091 -1.892 -11.332 1.00 0.85 H new ATOM 0 HD2 TYR A 99 3.795 -5.715 -12.686 1.00 0.74 H new ATOM 0 HE1 TYR A 99 7.356 -2.366 -12.158 1.00 1.05 H new ATOM 0 HE2 TYR A 99 6.058 -6.196 -13.504 1.00 0.92 H new ATOM 0 HH TYR A 99 8.130 -5.474 -13.745 1.00 1.29 H new ATOM 291 N ILE A 100 1.116 -2.403 -8.783 1.00 0.40 N ATOM 292 CA ILE A 100 -0.174 -1.877 -8.368 1.00 0.40 C ATOM 293 C ILE A 100 -0.771 -1.055 -9.509 1.00 0.44 C ATOM 294 O ILE A 100 -0.332 0.063 -9.780 1.00 0.45 O ATOM 295 CB ILE A 100 -0.040 -1.000 -7.095 1.00 0.37 C ATOM 296 CG1 ILE A 100 0.407 -1.841 -5.904 1.00 0.48 C ATOM 297 CG2 ILE A 100 -1.332 -0.259 -6.750 1.00 0.40 C ATOM 298 CD1 ILE A 100 0.567 -1.031 -4.637 1.00 0.56 C ATOM 0 H ILE A 100 1.919 -1.913 -8.389 1.00 0.40 H new ATOM 0 HA ILE A 100 -0.831 -2.713 -8.129 1.00 0.40 H new ATOM 0 HB ILE A 100 0.718 -0.249 -7.316 1.00 0.37 H new ATOM 0 HG12 ILE A 100 -0.321 -2.634 -5.732 1.00 0.48 H new ATOM 0 HG13 ILE A 100 1.355 -2.324 -6.142 1.00 0.48 H new ATOM 0 HG21 ILE A 100 -1.180 0.338 -5.851 1.00 0.40 H new ATOM 0 HG22 ILE A 100 -1.609 0.394 -7.577 1.00 0.40 H new ATOM 0 HG23 ILE A 100 -2.130 -0.981 -6.575 1.00 0.40 H new ATOM 0 HD11 ILE A 100 0.886 -1.685 -3.825 1.00 0.56 H new ATOM 0 HD12 ILE A 100 1.316 -0.254 -4.794 1.00 0.56 H new ATOM 0 HD13 ILE A 100 -0.386 -0.569 -4.378 1.00 0.56 H new ATOM 310 N SER A 101 -1.723 -1.645 -10.217 1.00 0.51 N ATOM 311 CA SER A 101 -2.379 -0.968 -11.325 1.00 0.59 C ATOM 312 C SER A 101 -3.467 -0.042 -10.790 1.00 0.58 C ATOM 313 O SER A 101 -3.858 -0.152 -9.628 1.00 0.54 O ATOM 314 CB SER A 101 -2.971 -1.999 -12.293 1.00 0.70 C ATOM 315 OG SER A 101 -3.487 -1.378 -13.458 1.00 1.33 O ATOM 0 H SER A 101 -2.058 -2.592 -10.043 1.00 0.51 H new ATOM 0 HA SER A 101 -1.648 -0.369 -11.868 1.00 0.59 H new ATOM 0 HB2 SER A 101 -2.203 -2.720 -12.573 1.00 0.70 H new ATOM 0 HB3 SER A 101 -3.764 -2.556 -11.794 1.00 0.70 H new ATOM 0 HG SER A 101 -3.856 -2.061 -14.057 1.00 1.33 H new ATOM 321 N ALA A 102 -3.959 0.860 -11.636 1.00 0.63 N ATOM 322 CA ALA A 102 -5.003 1.800 -11.236 1.00 0.65 C ATOM 323 C ALA A 102 -6.254 1.068 -10.758 1.00 0.66 C ATOM 324 O ALA A 102 -6.979 1.558 -9.891 1.00 0.64 O ATOM 325 CB ALA A 102 -5.343 2.737 -12.382 1.00 0.75 C ATOM 0 H ALA A 102 -3.651 0.960 -12.603 1.00 0.63 H new ATOM 0 HA ALA A 102 -4.620 2.390 -10.403 1.00 0.65 H new ATOM 0 HB1 ALA A 102 -6.123 3.430 -12.066 1.00 0.75 H new ATOM 0 HB2 ALA A 102 -4.454 3.298 -12.670 1.00 0.75 H new ATOM 0 HB3 ALA A 102 -5.697 2.156 -13.234 1.00 0.75 H new ATOM 331 N ALA A 103 -6.503 -0.102 -11.331 1.00 0.73 N ATOM 332 CA ALA A 103 -7.647 -0.916 -10.949 1.00 0.78 C ATOM 333 C ALA A 103 -7.434 -1.504 -9.557 1.00 0.74 C ATOM 334 O ALA A 103 -8.341 -1.516 -8.728 1.00 0.78 O ATOM 335 CB ALA A 103 -7.866 -2.028 -11.963 1.00 0.89 C ATOM 0 H ALA A 103 -5.924 -0.509 -12.066 1.00 0.73 H new ATOM 0 HA ALA A 103 -8.535 -0.284 -10.930 1.00 0.78 H new ATOM 0 HB1 ALA A 103 -8.725 -2.629 -11.664 1.00 0.89 H new ATOM 0 HB2 ALA A 103 -8.051 -1.593 -12.945 1.00 0.89 H new ATOM 0 HB3 ALA A 103 -6.979 -2.660 -12.007 1.00 0.89 H new ATOM 341 N GLU A 104 -6.215 -1.972 -9.313 1.00 0.69 N ATOM 342 CA GLU A 104 -5.853 -2.561 -8.031 1.00 0.67 C ATOM 343 C GLU A 104 -5.797 -1.484 -6.950 1.00 0.60 C ATOM 344 O GLU A 104 -6.195 -1.720 -5.809 1.00 0.64 O ATOM 345 CB GLU A 104 -4.512 -3.291 -8.149 1.00 0.66 C ATOM 346 CG GLU A 104 -4.518 -4.384 -9.207 1.00 0.76 C ATOM 347 CD GLU A 104 -3.166 -5.042 -9.384 1.00 0.75 C ATOM 348 OE1 GLU A 104 -2.323 -4.516 -10.139 1.00 0.71 O ATOM 349 OE2 GLU A 104 -2.924 -6.103 -8.796 1.00 0.86 O ATOM 0 H GLU A 104 -5.455 -1.954 -9.994 1.00 0.69 H new ATOM 0 HA GLU A 104 -6.614 -3.287 -7.745 1.00 0.67 H new ATOM 0 HB2 GLU A 104 -3.731 -2.568 -8.386 1.00 0.66 H new ATOM 0 HB3 GLU A 104 -4.258 -3.729 -7.184 1.00 0.66 H new ATOM 0 HG2 GLU A 104 -5.252 -5.142 -8.934 1.00 0.76 H new ATOM 0 HG3 GLU A 104 -4.837 -3.959 -10.159 1.00 0.76 H new ATOM 356 N LEU A 105 -5.319 -0.297 -7.321 1.00 0.54 N ATOM 357 CA LEU A 105 -5.235 0.826 -6.388 1.00 0.49 C ATOM 358 C LEU A 105 -6.637 1.296 -6.019 1.00 0.51 C ATOM 359 O LEU A 105 -6.881 1.776 -4.910 1.00 0.51 O ATOM 360 CB LEU A 105 -4.434 1.983 -6.999 1.00 0.46 C ATOM 361 CG LEU A 105 -3.974 3.053 -6.004 1.00 0.45 C ATOM 362 CD1 LEU A 105 -2.985 2.465 -5.013 1.00 0.43 C ATOM 363 CD2 LEU A 105 -3.350 4.233 -6.738 1.00 0.47 C ATOM 0 H LEU A 105 -4.984 -0.088 -8.261 1.00 0.54 H new ATOM 0 HA LEU A 105 -4.719 0.492 -5.488 1.00 0.49 H new ATOM 0 HB2 LEU A 105 -3.556 1.573 -7.499 1.00 0.46 H new ATOM 0 HB3 LEU A 105 -5.043 2.461 -7.766 1.00 0.46 H new ATOM 0 HG LEU A 105 -4.846 3.410 -5.455 1.00 0.45 H new ATOM 0 HD11 LEU A 105 -2.668 3.238 -4.313 1.00 0.43 H new ATOM 0 HD12 LEU A 105 -3.460 1.651 -4.464 1.00 0.43 H new ATOM 0 HD13 LEU A 105 -2.116 2.083 -5.549 1.00 0.43 H new ATOM 0 HD21 LEU A 105 -3.029 4.983 -6.015 1.00 0.47 H new ATOM 0 HD22 LEU A 105 -2.489 3.890 -7.312 1.00 0.47 H new ATOM 0 HD23 LEU A 105 -4.085 4.671 -7.413 1.00 0.47 H new ATOM 375 N ARG A 106 -7.565 1.111 -6.951 1.00 0.56 N ATOM 376 CA ARG A 106 -8.958 1.488 -6.751 1.00 0.61 C ATOM 377 C ARG A 106 -9.652 0.461 -5.862 1.00 0.66 C ATOM 378 O ARG A 106 -10.862 0.516 -5.645 1.00 0.86 O ATOM 379 CB ARG A 106 -9.672 1.587 -8.098 1.00 0.66 C ATOM 380 CG ARG A 106 -10.676 2.724 -8.177 1.00 0.79 C ATOM 381 CD ARG A 106 -11.069 3.013 -9.617 1.00 0.86 C ATOM 382 NE ARG A 106 -9.901 3.328 -10.446 1.00 1.16 N ATOM 383 CZ ARG A 106 -9.805 4.411 -11.220 1.00 1.52 C ATOM 384 NH1 ARG A 106 -10.800 5.286 -11.271 1.00 1.58 N ATOM 385 NH2 ARG A 106 -8.713 4.615 -11.945 1.00 2.15 N ATOM 0 H ARG A 106 -7.373 0.697 -7.863 1.00 0.56 H new ATOM 0 HA ARG A 106 -8.996 2.461 -6.262 1.00 0.61 H new ATOM 0 HB2 ARG A 106 -8.928 1.716 -8.884 1.00 0.66 H new ATOM 0 HB3 ARG A 106 -10.186 0.646 -8.296 1.00 0.66 H new ATOM 0 HG2 ARG A 106 -11.564 2.469 -7.599 1.00 0.79 H new ATOM 0 HG3 ARG A 106 -10.250 3.621 -7.727 1.00 0.79 H new ATOM 0 HD2 ARG A 106 -11.588 2.149 -10.033 1.00 0.86 H new ATOM 0 HD3 ARG A 106 -11.769 3.848 -9.642 1.00 0.86 H new ATOM 0 HE ARG A 106 -9.114 2.680 -10.430 1.00 1.16 H new ATOM 0 HH11 ARG A 106 -11.643 5.133 -10.717 1.00 1.58 H new ATOM 0 HH12 ARG A 106 -10.723 6.112 -11.864 1.00 1.58 H new ATOM 0 HH21 ARG A 106 -7.946 3.944 -11.911 1.00 2.15 H new ATOM 0 HH22 ARG A 106 -8.641 5.443 -12.536 1.00 2.15 H new ATOM 399 N HIS A 107 -8.866 -0.483 -5.368 1.00 0.65 N ATOM 400 CA HIS A 107 -9.351 -1.532 -4.491 1.00 0.70 C ATOM 401 C HIS A 107 -8.521 -1.533 -3.207 1.00 0.75 C ATOM 402 O HIS A 107 -8.510 -2.507 -2.454 1.00 1.06 O ATOM 403 CB HIS A 107 -9.259 -2.890 -5.194 1.00 0.71 C ATOM 404 CG HIS A 107 -10.275 -3.887 -4.730 1.00 0.85 C ATOM 405 ND1 HIS A 107 -9.905 -5.037 -4.076 1.00 1.03 N ATOM 406 CD2 HIS A 107 -11.621 -3.868 -4.863 1.00 1.00 C ATOM 407 CE1 HIS A 107 -11.028 -5.689 -3.826 1.00 1.21 C ATOM 408 NE2 HIS A 107 -12.094 -5.018 -4.286 1.00 1.18 N ATOM 0 H HIS A 107 -7.867 -0.541 -5.567 1.00 0.65 H new ATOM 0 HA HIS A 107 -10.396 -1.349 -4.242 1.00 0.70 H new ATOM 0 HB2 HIS A 107 -9.376 -2.740 -6.267 1.00 0.71 H new ATOM 0 HB3 HIS A 107 -8.262 -3.302 -5.036 1.00 0.71 H new ATOM 0 HD2 HIS A 107 -12.210 -3.095 -5.334 1.00 1.00 H new ATOM 0 HE1 HIS A 107 -11.080 -6.640 -3.317 1.00 1.21 H new ATOM 0 HE2 HIS A 107 -13.070 -5.308 -4.219 1.00 1.18 H new ATOM 416 N VAL A 108 -7.800 -0.437 -2.987 1.00 0.59 N ATOM 417 CA VAL A 108 -6.960 -0.280 -1.803 1.00 0.63 C ATOM 418 C VAL A 108 -7.396 0.936 -0.996 1.00 0.70 C ATOM 419 O VAL A 108 -7.915 0.809 0.114 1.00 0.72 O ATOM 420 CB VAL A 108 -5.466 -0.114 -2.173 1.00 0.63 C ATOM 421 CG1 VAL A 108 -4.613 0.126 -0.930 1.00 0.68 C ATOM 422 CG2 VAL A 108 -4.964 -1.328 -2.940 1.00 0.68 C ATOM 0 H VAL A 108 -7.781 0.363 -3.620 1.00 0.59 H new ATOM 0 HA VAL A 108 -7.078 -1.188 -1.211 1.00 0.63 H new ATOM 0 HB VAL A 108 -5.377 0.762 -2.816 1.00 0.63 H new ATOM 0 HG11 VAL A 108 -3.569 0.239 -1.222 1.00 0.68 H new ATOM 0 HG12 VAL A 108 -4.949 1.033 -0.427 1.00 0.68 H new ATOM 0 HG13 VAL A 108 -4.711 -0.722 -0.252 1.00 0.68 H new ATOM 0 HG21 VAL A 108 -3.912 -1.191 -3.190 1.00 0.68 H new ATOM 0 HG22 VAL A 108 -5.077 -2.220 -2.324 1.00 0.68 H new ATOM 0 HG23 VAL A 108 -5.543 -1.444 -3.856 1.00 0.68 H new ATOM 432 N MET A 109 -7.206 2.113 -1.581 1.00 0.82 N ATOM 433 CA MET A 109 -7.548 3.366 -0.925 1.00 0.99 C ATOM 434 C MET A 109 -9.059 3.511 -0.758 1.00 0.97 C ATOM 435 O MET A 109 -9.528 4.300 0.061 1.00 1.04 O ATOM 436 CB MET A 109 -6.963 4.547 -1.701 1.00 1.26 C ATOM 437 CG MET A 109 -5.463 4.721 -1.486 1.00 1.46 C ATOM 438 SD MET A 109 -4.486 3.370 -2.186 1.00 1.60 S ATOM 439 CE MET A 109 -2.877 3.676 -1.456 1.00 1.52 C ATOM 0 H MET A 109 -6.814 2.224 -2.516 1.00 0.82 H new ATOM 0 HA MET A 109 -7.111 3.359 0.073 1.00 0.99 H new ATOM 0 HB2 MET A 109 -7.158 4.407 -2.764 1.00 1.26 H new ATOM 0 HB3 MET A 109 -7.475 5.461 -1.400 1.00 1.26 H new ATOM 0 HG2 MET A 109 -5.144 5.662 -1.934 1.00 1.46 H new ATOM 0 HG3 MET A 109 -5.261 4.792 -0.417 1.00 1.46 H new ATOM 0 HE1 MET A 109 -2.195 2.870 -1.728 1.00 1.52 H new ATOM 0 HE2 MET A 109 -2.484 4.623 -1.825 1.00 1.52 H new ATOM 0 HE3 MET A 109 -2.972 3.721 -0.371 1.00 1.52 H new ATOM 449 N THR A 110 -9.813 2.742 -1.533 1.00 0.98 N ATOM 450 CA THR A 110 -11.265 2.755 -1.439 1.00 1.08 C ATOM 451 C THR A 110 -11.696 2.037 -0.165 1.00 1.03 C ATOM 452 O THR A 110 -12.532 2.521 0.598 1.00 1.13 O ATOM 453 CB THR A 110 -11.894 2.050 -2.650 1.00 1.19 C ATOM 454 OG1 THR A 110 -11.040 0.977 -3.068 1.00 1.27 O ATOM 455 CG2 THR A 110 -12.103 3.022 -3.803 1.00 1.67 C ATOM 0 H THR A 110 -9.441 2.101 -2.234 1.00 0.98 H new ATOM 0 HA THR A 110 -11.602 3.791 -1.420 1.00 1.08 H new ATOM 0 HB THR A 110 -12.868 1.658 -2.358 1.00 1.19 H new ATOM 0 HG1 THR A 110 -11.258 0.726 -3.990 1.00 1.27 H new ATOM 0 HG21 THR A 110 -12.550 2.495 -4.646 1.00 1.67 H new ATOM 0 HG22 THR A 110 -12.766 3.826 -3.485 1.00 1.67 H new ATOM 0 HG23 THR A 110 -11.143 3.441 -4.104 1.00 1.67 H new ATOM 463 N ASN A 111 -11.085 0.877 0.060 1.00 0.96 N ATOM 464 CA ASN A 111 -11.358 0.066 1.239 1.00 1.02 C ATOM 465 C ASN A 111 -10.847 0.789 2.480 1.00 0.98 C ATOM 466 O ASN A 111 -11.351 0.593 3.589 1.00 1.10 O ATOM 467 CB ASN A 111 -10.686 -1.305 1.092 1.00 1.06 C ATOM 468 CG ASN A 111 -10.983 -2.240 2.247 1.00 1.39 C ATOM 469 OD1 ASN A 111 -10.258 -2.271 3.236 1.00 1.74 O ATOM 470 ND2 ASN A 111 -12.047 -3.020 2.121 1.00 1.85 N ATOM 0 H ASN A 111 -10.389 0.475 -0.569 1.00 0.96 H new ATOM 0 HA ASN A 111 -12.432 -0.087 1.341 1.00 1.02 H new ATOM 0 HB2 ASN A 111 -11.018 -1.768 0.163 1.00 1.06 H new ATOM 0 HB3 ASN A 111 -9.608 -1.168 1.012 1.00 1.06 H new ATOM 0 HD21 ASN A 111 -12.289 -3.677 2.863 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -12.624 -2.963 1.282 1.00 1.85 H new ATOM 477 N LEU A 112 -9.855 1.650 2.258 1.00 0.91 N ATOM 478 CA LEU A 112 -9.249 2.456 3.311 1.00 0.95 C ATOM 479 C LEU A 112 -10.294 3.362 3.962 1.00 1.03 C ATOM 480 O LEU A 112 -10.159 3.761 5.116 1.00 1.23 O ATOM 481 CB LEU A 112 -8.106 3.289 2.705 1.00 0.92 C ATOM 482 CG LEU A 112 -7.662 4.528 3.495 1.00 0.87 C ATOM 483 CD1 LEU A 112 -6.906 4.126 4.753 1.00 1.19 C ATOM 484 CD2 LEU A 112 -6.802 5.441 2.621 1.00 0.87 C ATOM 0 H LEU A 112 -9.448 1.807 1.336 1.00 0.91 H new ATOM 0 HA LEU A 112 -8.849 1.803 4.086 1.00 0.95 H new ATOM 0 HB2 LEU A 112 -7.241 2.638 2.578 1.00 0.92 H new ATOM 0 HB3 LEU A 112 -8.411 3.611 1.709 1.00 0.92 H new ATOM 0 HG LEU A 112 -8.554 5.077 3.796 1.00 0.87 H new ATOM 0 HD11 LEU A 112 -6.602 5.021 5.296 1.00 1.19 H new ATOM 0 HD12 LEU A 112 -7.552 3.519 5.387 1.00 1.19 H new ATOM 0 HD13 LEU A 112 -6.022 3.550 4.478 1.00 1.19 H new ATOM 0 HD21 LEU A 112 -6.496 6.314 3.197 1.00 0.87 H new ATOM 0 HD22 LEU A 112 -5.917 4.898 2.288 1.00 0.87 H new ATOM 0 HD23 LEU A 112 -7.378 5.763 1.753 1.00 0.87 H new ATOM 496 N GLY A 113 -11.337 3.678 3.207 1.00 1.01 N ATOM 497 CA GLY A 113 -12.395 4.520 3.717 1.00 1.13 C ATOM 498 C GLY A 113 -12.506 5.811 2.948 1.00 1.03 C ATOM 499 O GLY A 113 -13.604 6.322 2.734 1.00 1.09 O ATOM 0 H GLY A 113 -11.468 3.363 2.246 1.00 1.01 H new ATOM 0 HA2 GLY A 113 -13.343 3.984 3.665 1.00 1.13 H new ATOM 0 HA3 GLY A 113 -12.210 4.739 4.769 1.00 1.13 H new ATOM 503 N GLU A 114 -11.362 6.322 2.517 1.00 1.05 N ATOM 504 CA GLU A 114 -11.309 7.567 1.770 1.00 1.02 C ATOM 505 C GLU A 114 -11.969 7.413 0.403 1.00 0.95 C ATOM 506 O GLU A 114 -11.390 6.838 -0.520 1.00 1.06 O ATOM 507 CB GLU A 114 -9.859 8.017 1.599 1.00 1.16 C ATOM 508 CG GLU A 114 -9.117 8.215 2.912 1.00 1.42 C ATOM 509 CD GLU A 114 -9.495 9.501 3.622 1.00 1.57 C ATOM 510 OE1 GLU A 114 -10.181 10.350 3.012 1.00 2.07 O ATOM 511 OE2 GLU A 114 -9.101 9.674 4.795 1.00 2.09 O ATOM 0 H GLU A 114 -10.452 5.889 2.674 1.00 1.05 H new ATOM 0 HA GLU A 114 -11.856 8.323 2.333 1.00 1.02 H new ATOM 0 HB2 GLU A 114 -9.327 7.277 1.000 1.00 1.16 H new ATOM 0 HB3 GLU A 114 -9.842 8.952 1.039 1.00 1.16 H new ATOM 0 HG2 GLU A 114 -9.323 7.370 3.569 1.00 1.42 H new ATOM 0 HG3 GLU A 114 -8.044 8.215 2.720 1.00 1.42 H new ATOM 518 N LYS A 115 -13.185 7.921 0.288 1.00 0.95 N ATOM 519 CA LYS A 115 -13.932 7.846 -0.958 1.00 1.00 C ATOM 520 C LYS A 115 -13.547 9.008 -1.864 1.00 0.90 C ATOM 521 O LYS A 115 -14.196 10.058 -1.866 1.00 1.05 O ATOM 522 CB LYS A 115 -15.433 7.863 -0.670 1.00 1.22 C ATOM 523 CG LYS A 115 -15.872 6.754 0.272 1.00 1.39 C ATOM 524 CD LYS A 115 -17.103 7.148 1.064 1.00 1.68 C ATOM 525 CE LYS A 115 -17.386 6.149 2.177 1.00 1.86 C ATOM 526 NZ LYS A 115 -16.364 6.220 3.257 1.00 1.92 N ATOM 0 H LYS A 115 -13.678 8.392 1.046 1.00 0.95 H new ATOM 0 HA LYS A 115 -13.688 6.913 -1.466 1.00 1.00 H new ATOM 0 HB2 LYS A 115 -15.703 8.827 -0.238 1.00 1.22 H new ATOM 0 HB3 LYS A 115 -15.978 7.771 -1.609 1.00 1.22 H new ATOM 0 HG2 LYS A 115 -16.081 5.851 -0.301 1.00 1.39 H new ATOM 0 HG3 LYS A 115 -15.059 6.515 0.957 1.00 1.39 H new ATOM 0 HD2 LYS A 115 -16.961 8.141 1.491 1.00 1.68 H new ATOM 0 HD3 LYS A 115 -17.964 7.207 0.398 1.00 1.68 H new ATOM 0 HE2 LYS A 115 -18.373 6.343 2.597 1.00 1.86 H new ATOM 0 HE3 LYS A 115 -17.408 5.141 1.763 1.00 1.86 H new ATOM 0 HZ1 LYS A 115 -16.553 5.480 3.963 1.00 1.92 H new ATOM 0 HZ2 LYS A 115 -15.418 6.077 2.850 1.00 1.92 H new ATOM 0 HZ3 LYS A 115 -16.407 7.153 3.714 1.00 1.92 H new ATOM 540 N LEU A 116 -12.476 8.814 -2.619 1.00 0.84 N ATOM 541 CA LEU A 116 -11.972 9.840 -3.512 1.00 0.80 C ATOM 542 C LEU A 116 -12.496 9.652 -4.927 1.00 0.83 C ATOM 543 O LEU A 116 -12.983 8.582 -5.292 1.00 0.92 O ATOM 544 CB LEU A 116 -10.443 9.824 -3.530 1.00 0.81 C ATOM 545 CG LEU A 116 -9.762 9.976 -2.168 1.00 0.90 C ATOM 546 CD1 LEU A 116 -8.255 9.848 -2.315 1.00 1.27 C ATOM 547 CD2 LEU A 116 -10.127 11.307 -1.530 1.00 1.22 C ATOM 0 H LEU A 116 -11.938 7.948 -2.629 1.00 0.84 H new ATOM 0 HA LEU A 116 -12.324 10.802 -3.139 1.00 0.80 H new ATOM 0 HB2 LEU A 116 -10.113 8.887 -3.978 1.00 0.81 H new ATOM 0 HB3 LEU A 116 -10.097 10.627 -4.180 1.00 0.81 H new ATOM 0 HG LEU A 116 -10.115 9.179 -1.514 1.00 0.90 H new ATOM 0 HD11 LEU A 116 -7.784 9.958 -1.338 1.00 1.27 H new ATOM 0 HD12 LEU A 116 -8.012 8.869 -2.727 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -7.887 10.625 -2.985 1.00 1.27 H new ATOM 0 HD21 LEU A 116 -9.632 11.395 -0.563 1.00 1.22 H new ATOM 0 HD22 LEU A 116 -9.804 12.122 -2.178 1.00 1.22 H new ATOM 0 HD23 LEU A 116 -11.207 11.360 -1.391 1.00 1.22 H new ATOM 559 N THR A 117 -12.393 10.708 -5.713 1.00 0.82 N ATOM 560 CA THR A 117 -12.832 10.690 -7.095 1.00 0.90 C ATOM 561 C THR A 117 -11.716 10.186 -8.004 1.00 0.88 C ATOM 562 O THR A 117 -10.573 10.038 -7.569 1.00 0.81 O ATOM 563 CB THR A 117 -13.262 12.095 -7.544 1.00 0.96 C ATOM 564 OG1 THR A 117 -12.253 13.050 -7.193 1.00 0.95 O ATOM 565 CG2 THR A 117 -14.578 12.484 -6.891 1.00 1.08 C ATOM 0 H THR A 117 -12.003 11.601 -5.411 1.00 0.82 H new ATOM 0 HA THR A 117 -13.685 10.016 -7.168 1.00 0.90 H new ATOM 0 HB THR A 117 -13.394 12.086 -8.626 1.00 0.96 H new ATOM 0 HG1 THR A 117 -12.340 13.284 -6.245 1.00 0.95 H new ATOM 0 HG21 THR A 117 -14.867 13.482 -7.221 1.00 1.08 H new ATOM 0 HG22 THR A 117 -15.351 11.770 -7.176 1.00 1.08 H new ATOM 0 HG23 THR A 117 -14.462 12.479 -5.807 1.00 1.08 H new ATOM 573 N ASP A 118 -12.047 9.937 -9.266 1.00 0.99 N ATOM 574 CA ASP A 118 -11.073 9.451 -10.240 1.00 1.02 C ATOM 575 C ASP A 118 -9.876 10.394 -10.331 1.00 0.94 C ATOM 576 O ASP A 118 -8.731 9.949 -10.365 1.00 0.90 O ATOM 577 CB ASP A 118 -11.727 9.302 -11.616 1.00 1.20 C ATOM 578 CG ASP A 118 -10.790 8.706 -12.648 1.00 1.43 C ATOM 579 OD1 ASP A 118 -10.669 7.466 -12.709 1.00 1.99 O ATOM 580 OD2 ASP A 118 -10.176 9.474 -13.416 1.00 1.94 O ATOM 0 H ASP A 118 -12.987 10.064 -9.641 1.00 0.99 H new ATOM 0 HA ASP A 118 -10.719 8.476 -9.907 1.00 1.02 H new ATOM 0 HB2 ASP A 118 -12.611 8.671 -11.527 1.00 1.20 H new ATOM 0 HB3 ASP A 118 -12.066 10.279 -11.960 1.00 1.20 H new ATOM 585 N GLU A 119 -10.151 11.696 -10.343 1.00 0.95 N ATOM 586 CA GLU A 119 -9.095 12.703 -10.423 1.00 0.94 C ATOM 587 C GLU A 119 -8.224 12.675 -9.168 1.00 0.80 C ATOM 588 O GLU A 119 -7.000 12.794 -9.249 1.00 0.79 O ATOM 589 CB GLU A 119 -9.711 14.091 -10.611 1.00 1.05 C ATOM 590 CG GLU A 119 -8.897 15.013 -11.508 1.00 1.48 C ATOM 591 CD GLU A 119 -7.809 15.759 -10.758 1.00 2.06 C ATOM 592 OE1 GLU A 119 -8.098 16.303 -9.674 1.00 2.51 O ATOM 593 OE2 GLU A 119 -6.667 15.829 -11.265 1.00 2.75 O ATOM 0 H GLU A 119 -11.095 12.079 -10.298 1.00 0.95 H new ATOM 0 HA GLU A 119 -8.463 12.476 -11.281 1.00 0.94 H new ATOM 0 HB2 GLU A 119 -10.710 13.980 -11.033 1.00 1.05 H new ATOM 0 HB3 GLU A 119 -9.828 14.561 -9.634 1.00 1.05 H new ATOM 0 HG2 GLU A 119 -8.443 14.426 -12.307 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -9.564 15.733 -11.981 1.00 1.48 H new ATOM 600 N GLU A 120 -8.855 12.495 -8.013 1.00 0.73 N ATOM 601 CA GLU A 120 -8.128 12.445 -6.751 1.00 0.63 C ATOM 602 C GLU A 120 -7.284 11.177 -6.678 1.00 0.57 C ATOM 603 O GLU A 120 -6.168 11.191 -6.161 1.00 0.52 O ATOM 604 CB GLU A 120 -9.096 12.530 -5.572 1.00 0.64 C ATOM 605 CG GLU A 120 -9.612 13.938 -5.325 1.00 0.72 C ATOM 606 CD GLU A 120 -10.881 13.964 -4.499 1.00 0.81 C ATOM 607 OE1 GLU A 120 -11.688 13.019 -4.608 1.00 0.98 O ATOM 608 OE2 GLU A 120 -11.085 14.937 -3.752 1.00 1.14 O ATOM 0 H GLU A 120 -9.865 12.382 -7.925 1.00 0.73 H new ATOM 0 HA GLU A 120 -7.458 13.303 -6.697 1.00 0.63 H new ATOM 0 HB2 GLU A 120 -9.941 11.867 -5.755 1.00 0.64 H new ATOM 0 HB3 GLU A 120 -8.597 12.169 -4.673 1.00 0.64 H new ATOM 0 HG2 GLU A 120 -8.842 14.518 -4.817 1.00 0.72 H new ATOM 0 HG3 GLU A 120 -9.798 14.425 -6.282 1.00 0.72 H new ATOM 615 N VAL A 121 -7.821 10.080 -7.205 1.00 0.62 N ATOM 616 CA VAL A 121 -7.097 8.816 -7.236 1.00 0.63 C ATOM 617 C VAL A 121 -5.907 8.954 -8.181 1.00 0.62 C ATOM 618 O VAL A 121 -4.825 8.416 -7.935 1.00 0.58 O ATOM 619 CB VAL A 121 -8.007 7.649 -7.686 1.00 0.77 C ATOM 620 CG1 VAL A 121 -7.197 6.388 -7.965 1.00 0.86 C ATOM 621 CG2 VAL A 121 -9.072 7.369 -6.638 1.00 0.81 C ATOM 0 H VAL A 121 -8.754 10.042 -7.616 1.00 0.62 H new ATOM 0 HA VAL A 121 -6.751 8.585 -6.228 1.00 0.63 H new ATOM 0 HB VAL A 121 -8.495 7.948 -8.614 1.00 0.77 H new ATOM 0 HG11 VAL A 121 -7.867 5.587 -8.279 1.00 0.86 H new ATOM 0 HG12 VAL A 121 -6.474 6.587 -8.756 1.00 0.86 H new ATOM 0 HG13 VAL A 121 -6.670 6.086 -7.060 1.00 0.86 H new ATOM 0 HG21 VAL A 121 -9.703 6.545 -6.972 1.00 0.81 H new ATOM 0 HG22 VAL A 121 -8.594 7.101 -5.696 1.00 0.81 H new ATOM 0 HG23 VAL A 121 -9.684 8.259 -6.494 1.00 0.81 H new ATOM 631 N ASP A 122 -6.119 9.704 -9.256 1.00 0.71 N ATOM 632 CA ASP A 122 -5.070 9.961 -10.230 1.00 0.77 C ATOM 633 C ASP A 122 -3.947 10.739 -9.568 1.00 0.69 C ATOM 634 O ASP A 122 -2.775 10.429 -9.763 1.00 0.68 O ATOM 635 CB ASP A 122 -5.614 10.742 -11.424 1.00 0.93 C ATOM 636 CG ASP A 122 -4.560 10.992 -12.482 1.00 1.11 C ATOM 637 OD1 ASP A 122 -4.339 10.103 -13.330 1.00 1.38 O ATOM 638 OD2 ASP A 122 -3.960 12.085 -12.485 1.00 1.34 O ATOM 0 H ASP A 122 -7.012 10.146 -9.474 1.00 0.71 H new ATOM 0 HA ASP A 122 -4.690 9.007 -10.595 1.00 0.77 H new ATOM 0 HB2 ASP A 122 -6.445 10.192 -11.866 1.00 0.93 H new ATOM 0 HB3 ASP A 122 -6.012 11.696 -11.079 1.00 0.93 H new ATOM 643 N GLU A 123 -4.319 11.736 -8.765 1.00 0.66 N ATOM 644 CA GLU A 123 -3.341 12.542 -8.042 1.00 0.65 C ATOM 645 C GLU A 123 -2.579 11.658 -7.068 1.00 0.54 C ATOM 646 O GLU A 123 -1.387 11.851 -6.831 1.00 0.58 O ATOM 647 CB GLU A 123 -4.022 13.678 -7.272 1.00 0.71 C ATOM 648 CG GLU A 123 -3.043 14.690 -6.690 1.00 0.94 C ATOM 649 CD GLU A 123 -3.560 15.354 -5.427 1.00 1.35 C ATOM 650 OE1 GLU A 123 -4.574 16.079 -5.506 1.00 1.94 O ATOM 651 OE2 GLU A 123 -2.938 15.171 -4.356 1.00 1.92 O ATOM 0 H GLU A 123 -5.290 12.003 -8.600 1.00 0.66 H new ATOM 0 HA GLU A 123 -2.655 12.981 -8.766 1.00 0.65 H new ATOM 0 HB2 GLU A 123 -4.713 14.195 -7.938 1.00 0.71 H new ATOM 0 HB3 GLU A 123 -4.616 13.253 -6.463 1.00 0.71 H new ATOM 0 HG2 GLU A 123 -2.099 14.190 -6.471 1.00 0.94 H new ATOM 0 HG3 GLU A 123 -2.833 15.456 -7.437 1.00 0.94 H new ATOM 658 N MET A 124 -3.282 10.677 -6.514 1.00 0.46 N ATOM 659 CA MET A 124 -2.686 9.746 -5.575 1.00 0.42 C ATOM 660 C MET A 124 -1.542 8.995 -6.226 1.00 0.39 C ATOM 661 O MET A 124 -0.438 8.944 -5.683 1.00 0.41 O ATOM 662 CB MET A 124 -3.721 8.757 -5.035 1.00 0.48 C ATOM 663 CG MET A 124 -4.515 9.297 -3.858 1.00 0.66 C ATOM 664 SD MET A 124 -4.945 8.023 -2.657 1.00 0.65 S ATOM 665 CE MET A 124 -3.332 7.352 -2.253 1.00 0.53 C ATOM 0 H MET A 124 -4.270 10.509 -6.703 1.00 0.46 H new ATOM 0 HA MET A 124 -2.301 10.325 -4.736 1.00 0.42 H new ATOM 0 HB2 MET A 124 -4.410 8.490 -5.836 1.00 0.48 H new ATOM 0 HB3 MET A 124 -3.214 7.841 -4.732 1.00 0.48 H new ATOM 0 HG2 MET A 124 -3.935 10.076 -3.362 1.00 0.66 H new ATOM 0 HG3 MET A 124 -5.428 9.765 -4.226 1.00 0.66 H new ATOM 0 HE1 MET A 124 -3.411 6.724 -1.365 1.00 0.53 H new ATOM 0 HE2 MET A 124 -2.967 6.755 -3.088 1.00 0.53 H new ATOM 0 HE3 MET A 124 -2.636 8.169 -2.059 1.00 0.53 H new ATOM 675 N ILE A 125 -1.796 8.424 -7.394 1.00 0.39 N ATOM 676 CA ILE A 125 -0.761 7.693 -8.101 1.00 0.42 C ATOM 677 C ILE A 125 0.223 8.663 -8.743 1.00 0.47 C ATOM 678 O ILE A 125 1.368 8.315 -8.995 1.00 0.49 O ATOM 679 CB ILE A 125 -1.350 6.696 -9.134 1.00 0.48 C ATOM 680 CG1 ILE A 125 -0.840 5.284 -8.829 1.00 0.51 C ATOM 681 CG2 ILE A 125 -1.010 7.084 -10.568 1.00 0.85 C ATOM 682 CD1 ILE A 125 0.651 5.213 -8.621 1.00 0.79 C ATOM 0 H ILE A 125 -2.700 8.453 -7.866 1.00 0.39 H new ATOM 0 HA ILE A 125 -0.219 7.089 -7.373 1.00 0.42 H new ATOM 0 HB ILE A 125 -2.436 6.725 -9.046 1.00 0.48 H new ATOM 0 HG12 ILE A 125 -1.341 4.911 -7.936 1.00 0.51 H new ATOM 0 HG13 ILE A 125 -1.116 4.622 -9.650 1.00 0.51 H new ATOM 0 HG21 ILE A 125 -1.444 6.357 -11.254 1.00 0.85 H new ATOM 0 HG22 ILE A 125 -1.415 8.073 -10.783 1.00 0.85 H new ATOM 0 HG23 ILE A 125 0.073 7.101 -10.694 1.00 0.85 H new ATOM 0 HD11 ILE A 125 0.940 4.184 -8.409 1.00 0.79 H new ATOM 0 HD12 ILE A 125 1.161 5.555 -9.522 1.00 0.79 H new ATOM 0 HD13 ILE A 125 0.932 5.849 -7.781 1.00 0.79 H new ATOM 694 N ARG A 126 -0.217 9.890 -8.978 1.00 0.55 N ATOM 695 CA ARG A 126 0.650 10.911 -9.548 1.00 0.66 C ATOM 696 C ARG A 126 1.744 11.262 -8.543 1.00 0.65 C ATOM 697 O ARG A 126 2.812 11.746 -8.904 1.00 0.76 O ATOM 698 CB ARG A 126 -0.162 12.160 -9.897 1.00 0.79 C ATOM 699 CG ARG A 126 0.176 12.767 -11.249 1.00 1.28 C ATOM 700 CD ARG A 126 -0.600 14.056 -11.485 1.00 1.39 C ATOM 701 NE ARG A 126 -2.047 13.838 -11.519 1.00 1.14 N ATOM 702 CZ ARG A 126 -2.958 14.756 -11.175 1.00 1.24 C ATOM 703 NH1 ARG A 126 -2.583 15.967 -10.779 1.00 1.70 N ATOM 704 NH2 ARG A 126 -4.245 14.448 -11.243 1.00 1.29 N ATOM 0 H ARG A 126 -1.168 10.203 -8.783 1.00 0.55 H new ATOM 0 HA ARG A 126 1.105 10.528 -10.461 1.00 0.66 H new ATOM 0 HB2 ARG A 126 -1.222 11.907 -9.880 1.00 0.79 H new ATOM 0 HB3 ARG A 126 -0.002 12.911 -9.124 1.00 0.79 H new ATOM 0 HG2 ARG A 126 1.246 12.969 -11.302 1.00 1.28 H new ATOM 0 HG3 ARG A 126 -0.053 12.052 -12.039 1.00 1.28 H new ATOM 0 HD2 ARG A 126 -0.361 14.770 -10.697 1.00 1.39 H new ATOM 0 HD3 ARG A 126 -0.280 14.502 -12.427 1.00 1.39 H new ATOM 0 HE ARG A 126 -2.384 12.925 -11.825 1.00 1.14 H new ATOM 0 HH11 ARG A 126 -1.592 16.205 -10.735 1.00 1.70 H new ATOM 0 HH12 ARG A 126 -3.286 16.659 -10.519 1.00 1.70 H new ATOM 0 HH21 ARG A 126 -4.532 13.520 -11.555 1.00 1.29 H new ATOM 0 HH22 ARG A 126 -4.949 15.139 -10.984 1.00 1.29 H new ATOM 718 N GLU A 127 1.446 11.004 -7.275 1.00 0.61 N ATOM 719 CA GLU A 127 2.366 11.267 -6.179 1.00 0.69 C ATOM 720 C GLU A 127 3.210 10.025 -5.869 1.00 0.62 C ATOM 721 O GLU A 127 4.267 10.120 -5.252 1.00 0.72 O ATOM 722 CB GLU A 127 1.559 11.688 -4.946 1.00 0.82 C ATOM 723 CG GLU A 127 2.382 12.316 -3.836 1.00 0.89 C ATOM 724 CD GLU A 127 1.771 13.611 -3.342 1.00 1.04 C ATOM 725 OE1 GLU A 127 1.761 14.594 -4.104 1.00 1.55 O ATOM 726 OE2 GLU A 127 1.281 13.650 -2.192 1.00 1.37 O ATOM 0 H GLU A 127 0.555 10.605 -6.979 1.00 0.61 H new ATOM 0 HA GLU A 127 3.047 12.069 -6.463 1.00 0.69 H new ATOM 0 HB2 GLU A 127 0.790 12.396 -5.256 1.00 0.82 H new ATOM 0 HB3 GLU A 127 1.045 10.813 -4.549 1.00 0.82 H new ATOM 0 HG2 GLU A 127 2.467 11.615 -3.006 1.00 0.89 H new ATOM 0 HG3 GLU A 127 3.393 12.506 -4.197 1.00 0.89 H new ATOM 733 N ALA A 128 2.738 8.863 -6.309 1.00 0.51 N ATOM 734 CA ALA A 128 3.446 7.612 -6.058 1.00 0.49 C ATOM 735 C ALA A 128 4.303 7.197 -7.245 1.00 0.51 C ATOM 736 O ALA A 128 5.429 6.728 -7.073 1.00 0.66 O ATOM 737 CB ALA A 128 2.462 6.506 -5.714 1.00 0.47 C ATOM 0 H ALA A 128 1.872 8.761 -6.839 1.00 0.51 H new ATOM 0 HA ALA A 128 4.111 7.779 -5.211 1.00 0.49 H new ATOM 0 HB1 ALA A 128 3.006 5.580 -5.530 1.00 0.47 H new ATOM 0 HB2 ALA A 128 1.902 6.782 -4.820 1.00 0.47 H new ATOM 0 HB3 ALA A 128 1.771 6.362 -6.545 1.00 0.47 H new ATOM 743 N ASP A 129 3.771 7.361 -8.445 1.00 0.53 N ATOM 744 CA ASP A 129 4.494 6.997 -9.655 1.00 0.57 C ATOM 745 C ASP A 129 5.491 8.086 -10.012 1.00 0.68 C ATOM 746 O ASP A 129 5.118 9.170 -10.468 1.00 0.75 O ATOM 747 CB ASP A 129 3.531 6.752 -10.818 1.00 0.60 C ATOM 748 CG ASP A 129 4.186 5.976 -11.940 1.00 0.64 C ATOM 749 OD1 ASP A 129 4.951 5.032 -11.648 1.00 0.65 O ATOM 750 OD2 ASP A 129 3.939 6.293 -13.117 1.00 0.80 O ATOM 0 H ASP A 129 2.840 7.744 -8.609 1.00 0.53 H new ATOM 0 HA ASP A 129 5.034 6.069 -9.466 1.00 0.57 H new ATOM 0 HB2 ASP A 129 2.660 6.205 -10.459 1.00 0.60 H new ATOM 0 HB3 ASP A 129 3.172 7.708 -11.199 1.00 0.60 H new ATOM 755 N ILE A 130 6.756 7.792 -9.794 1.00 0.76 N ATOM 756 CA ILE A 130 7.820 8.738 -10.061 1.00 0.90 C ATOM 757 C ILE A 130 8.491 8.441 -11.394 1.00 0.98 C ATOM 758 O ILE A 130 8.915 9.356 -12.099 1.00 1.12 O ATOM 759 CB ILE A 130 8.887 8.712 -8.948 1.00 0.98 C ATOM 760 CG1 ILE A 130 8.262 8.305 -7.610 1.00 1.04 C ATOM 761 CG2 ILE A 130 9.554 10.077 -8.828 1.00 1.20 C ATOM 762 CD1 ILE A 130 9.263 7.773 -6.610 1.00 1.23 C ATOM 0 H ILE A 130 7.075 6.895 -9.428 1.00 0.76 H new ATOM 0 HA ILE A 130 7.364 9.728 -10.095 1.00 0.90 H new ATOM 0 HB ILE A 130 9.644 7.973 -9.211 1.00 0.98 H new ATOM 0 HG12 ILE A 130 7.754 9.168 -7.179 1.00 1.04 H new ATOM 0 HG13 ILE A 130 7.502 7.545 -7.790 1.00 1.04 H new ATOM 0 HG21 ILE A 130 10.305 10.047 -8.039 1.00 1.20 H new ATOM 0 HG22 ILE A 130 10.031 10.333 -9.774 1.00 1.20 H new ATOM 0 HG23 ILE A 130 8.803 10.829 -8.585 1.00 1.20 H new ATOM 0 HD11 ILE A 130 8.748 7.505 -5.687 1.00 1.23 H new ATOM 0 HD12 ILE A 130 9.754 6.891 -7.021 1.00 1.23 H new ATOM 0 HD13 ILE A 130 10.010 8.539 -6.400 1.00 1.23 H new ATOM 774 N ASP A 131 8.581 7.163 -11.747 1.00 0.94 N ATOM 775 CA ASP A 131 9.217 6.768 -13.007 1.00 1.05 C ATOM 776 C ASP A 131 8.318 7.074 -14.199 1.00 1.08 C ATOM 777 O ASP A 131 8.797 7.230 -15.322 1.00 1.23 O ATOM 778 CB ASP A 131 9.615 5.282 -13.018 1.00 1.04 C ATOM 779 CG ASP A 131 8.569 4.356 -12.424 1.00 0.97 C ATOM 780 OD1 ASP A 131 7.358 4.635 -12.545 1.00 0.81 O ATOM 781 OD2 ASP A 131 8.951 3.338 -11.820 1.00 1.35 O ATOM 0 H ASP A 131 8.227 6.387 -11.188 1.00 0.94 H new ATOM 0 HA ASP A 131 10.129 7.359 -13.091 1.00 1.05 H new ATOM 0 HB2 ASP A 131 9.813 4.977 -14.046 1.00 1.04 H new ATOM 0 HB3 ASP A 131 10.547 5.162 -12.465 1.00 1.04 H new ATOM 786 N GLY A 132 7.019 7.161 -13.954 1.00 0.99 N ATOM 787 CA GLY A 132 6.081 7.471 -15.019 1.00 1.06 C ATOM 788 C GLY A 132 5.690 6.253 -15.827 1.00 1.07 C ATOM 789 O GLY A 132 5.384 6.364 -17.016 1.00 1.25 O ATOM 0 H GLY A 132 6.595 7.023 -13.037 1.00 0.99 H new ATOM 0 HA2 GLY A 132 5.185 7.919 -14.589 1.00 1.06 H new ATOM 0 HA3 GLY A 132 6.523 8.215 -15.682 1.00 1.06 H new ATOM 793 N ASP A 133 5.704 5.093 -15.191 1.00 0.98 N ATOM 794 CA ASP A 133 5.335 3.858 -15.870 1.00 1.01 C ATOM 795 C ASP A 133 3.820 3.668 -15.839 1.00 0.97 C ATOM 796 O ASP A 133 3.255 2.947 -16.665 1.00 1.06 O ATOM 797 CB ASP A 133 6.051 2.648 -15.249 1.00 0.97 C ATOM 798 CG ASP A 133 5.408 2.147 -13.968 1.00 0.83 C ATOM 799 OD1 ASP A 133 5.744 2.674 -12.878 1.00 0.74 O ATOM 800 OD2 ASP A 133 4.580 1.221 -14.038 1.00 0.89 O ATOM 0 H ASP A 133 5.965 4.979 -14.212 1.00 0.98 H new ATOM 0 HA ASP A 133 5.654 3.933 -16.910 1.00 1.01 H new ATOM 0 HB2 ASP A 133 6.070 1.836 -15.976 1.00 0.97 H new ATOM 0 HB3 ASP A 133 7.087 2.917 -15.044 1.00 0.97 H new ATOM 805 N GLY A 134 3.163 4.348 -14.906 1.00 0.87 N ATOM 806 CA GLY A 134 1.721 4.253 -14.788 1.00 0.88 C ATOM 807 C GLY A 134 1.280 3.315 -13.686 1.00 0.79 C ATOM 808 O GLY A 134 0.095 3.231 -13.374 1.00 0.90 O ATOM 0 H GLY A 134 3.607 4.966 -14.227 1.00 0.87 H new ATOM 0 HA2 GLY A 134 1.311 5.245 -14.599 1.00 0.88 H new ATOM 0 HA3 GLY A 134 1.306 3.912 -15.736 1.00 0.88 H new ATOM 812 N GLN A 135 2.225 2.600 -13.102 1.00 0.70 N ATOM 813 CA GLN A 135 1.916 1.668 -12.031 1.00 0.63 C ATOM 814 C GLN A 135 2.801 1.917 -10.822 1.00 0.49 C ATOM 815 O GLN A 135 3.829 2.591 -10.907 1.00 0.56 O ATOM 816 CB GLN A 135 2.107 0.225 -12.494 1.00 0.76 C ATOM 817 CG GLN A 135 1.190 -0.196 -13.632 1.00 0.83 C ATOM 818 CD GLN A 135 1.767 -1.340 -14.447 1.00 0.98 C ATOM 819 OE1 GLN A 135 1.041 -2.232 -14.886 1.00 1.18 O ATOM 820 NE2 GLN A 135 3.074 -1.310 -14.683 1.00 1.10 N ATOM 0 H GLN A 135 3.213 2.647 -13.351 1.00 0.70 H new ATOM 0 HA GLN A 135 0.874 1.826 -11.754 1.00 0.63 H new ATOM 0 HB2 GLN A 135 3.142 0.091 -12.809 1.00 0.76 H new ATOM 0 HB3 GLN A 135 1.943 -0.440 -11.646 1.00 0.76 H new ATOM 0 HG2 GLN A 135 0.224 -0.494 -13.225 1.00 0.83 H new ATOM 0 HG3 GLN A 135 1.011 0.658 -14.285 1.00 0.83 H new ATOM 0 HE21 GLN A 135 3.644 -0.554 -14.302 1.00 1.10 H new ATOM 0 HE22 GLN A 135 3.508 -2.043 -15.245 1.00 1.10 H new ATOM 829 N VAL A 136 2.386 1.366 -9.701 1.00 0.42 N ATOM 830 CA VAL A 136 3.129 1.483 -8.455 1.00 0.40 C ATOM 831 C VAL A 136 3.929 0.203 -8.237 1.00 0.43 C ATOM 832 O VAL A 136 3.367 -0.822 -7.844 1.00 0.45 O ATOM 833 CB VAL A 136 2.178 1.686 -7.249 1.00 0.55 C ATOM 834 CG1 VAL A 136 2.639 2.794 -6.326 1.00 1.07 C ATOM 835 CG2 VAL A 136 0.774 1.988 -7.708 1.00 1.08 C ATOM 0 H VAL A 136 1.525 0.824 -9.623 1.00 0.42 H new ATOM 0 HA VAL A 136 3.787 2.349 -8.527 1.00 0.40 H new ATOM 0 HB VAL A 136 2.193 0.748 -6.695 1.00 0.55 H new ATOM 0 HG11 VAL A 136 1.937 2.894 -5.498 1.00 1.07 H new ATOM 0 HG12 VAL A 136 3.628 2.555 -5.936 1.00 1.07 H new ATOM 0 HG13 VAL A 136 2.684 3.733 -6.878 1.00 1.07 H new ATOM 0 HG21 VAL A 136 0.129 2.126 -6.840 1.00 1.08 H new ATOM 0 HG22 VAL A 136 0.775 2.898 -8.307 1.00 1.08 H new ATOM 0 HG23 VAL A 136 0.401 1.159 -8.309 1.00 1.08 H new ATOM 845 N ASN A 137 5.222 0.240 -8.531 1.00 0.48 N ATOM 846 CA ASN A 137 6.062 -0.941 -8.355 1.00 0.56 C ATOM 847 C ASN A 137 6.589 -1.015 -6.929 1.00 0.59 C ATOM 848 O ASN A 137 6.420 -0.077 -6.156 1.00 0.56 O ATOM 849 CB ASN A 137 7.219 -0.980 -9.367 1.00 0.63 C ATOM 850 CG ASN A 137 8.121 0.240 -9.315 1.00 0.68 C ATOM 851 OD1 ASN A 137 8.728 0.540 -8.292 1.00 0.72 O ATOM 852 ND2 ASN A 137 8.220 0.936 -10.436 1.00 0.84 N ATOM 0 H ASN A 137 5.709 1.062 -8.888 1.00 0.48 H new ATOM 0 HA ASN A 137 5.439 -1.816 -8.543 1.00 0.56 H new ATOM 0 HB2 ASN A 137 7.819 -1.872 -9.184 1.00 0.63 H new ATOM 0 HB3 ASN A 137 6.807 -1.073 -10.372 1.00 0.63 H new ATOM 0 HD21 ASN A 137 8.820 1.760 -10.473 1.00 0.84 H new ATOM 0 HD22 ASN A 137 7.696 0.649 -11.263 1.00 0.84 H new ATOM 859 N TYR A 138 7.225 -2.136 -6.596 1.00 0.69 N ATOM 860 CA TYR A 138 7.767 -2.371 -5.257 1.00 0.77 C ATOM 861 C TYR A 138 8.656 -1.217 -4.789 1.00 0.77 C ATOM 862 O TYR A 138 8.479 -0.703 -3.683 1.00 0.79 O ATOM 863 CB TYR A 138 8.556 -3.684 -5.246 1.00 0.91 C ATOM 864 CG TYR A 138 8.862 -4.218 -3.859 1.00 1.00 C ATOM 865 CD1 TYR A 138 7.953 -5.028 -3.189 1.00 1.13 C ATOM 866 CD2 TYR A 138 10.067 -3.927 -3.230 1.00 1.08 C ATOM 867 CE1 TYR A 138 8.236 -5.530 -1.931 1.00 1.27 C ATOM 868 CE2 TYR A 138 10.354 -4.422 -1.972 1.00 1.20 C ATOM 869 CZ TYR A 138 9.438 -5.225 -1.329 1.00 1.28 C ATOM 870 OH TYR A 138 9.730 -5.733 -0.082 1.00 1.45 O ATOM 0 H TYR A 138 7.380 -2.907 -7.245 1.00 0.69 H new ATOM 0 HA TYR A 138 6.930 -2.438 -4.562 1.00 0.77 H new ATOM 0 HB2 TYR A 138 7.992 -4.437 -5.796 1.00 0.91 H new ATOM 0 HB3 TYR A 138 9.494 -3.535 -5.780 1.00 0.91 H new ATOM 0 HD1 TYR A 138 7.010 -5.270 -3.658 1.00 1.13 H new ATOM 0 HD2 TYR A 138 10.791 -3.303 -3.733 1.00 1.08 H new ATOM 0 HE1 TYR A 138 7.519 -6.158 -1.423 1.00 1.27 H new ATOM 0 HE2 TYR A 138 11.292 -4.180 -1.495 1.00 1.20 H new ATOM 0 HH TYR A 138 10.616 -5.423 0.198 1.00 1.45 H new ATOM 880 N GLU A 139 9.606 -0.820 -5.628 1.00 0.78 N ATOM 881 CA GLU A 139 10.527 0.264 -5.296 1.00 0.82 C ATOM 882 C GLU A 139 9.777 1.550 -4.956 1.00 0.77 C ATOM 883 O GLU A 139 9.961 2.112 -3.876 1.00 0.84 O ATOM 884 CB GLU A 139 11.501 0.516 -6.449 1.00 0.87 C ATOM 885 CG GLU A 139 12.310 -0.711 -6.837 1.00 0.99 C ATOM 886 CD GLU A 139 11.643 -1.523 -7.923 1.00 1.22 C ATOM 887 OE1 GLU A 139 10.852 -2.430 -7.593 1.00 1.50 O ATOM 888 OE2 GLU A 139 11.909 -1.264 -9.116 1.00 1.84 O ATOM 0 H GLU A 139 9.760 -1.234 -6.547 1.00 0.78 H new ATOM 0 HA GLU A 139 11.091 -0.044 -4.415 1.00 0.82 H new ATOM 0 HB2 GLU A 139 10.941 0.862 -7.318 1.00 0.87 H new ATOM 0 HB3 GLU A 139 12.184 1.318 -6.169 1.00 0.87 H new ATOM 0 HG2 GLU A 139 13.298 -0.399 -7.176 1.00 0.99 H new ATOM 0 HG3 GLU A 139 12.458 -1.338 -5.958 1.00 0.99 H new ATOM 895 N GLU A 140 8.918 1.996 -5.871 1.00 0.68 N ATOM 896 CA GLU A 140 8.137 3.218 -5.667 1.00 0.64 C ATOM 897 C GLU A 140 7.245 3.084 -4.438 1.00 0.62 C ATOM 898 O GLU A 140 7.159 3.996 -3.621 1.00 0.66 O ATOM 899 CB GLU A 140 7.283 3.525 -6.902 1.00 0.58 C ATOM 900 CG GLU A 140 8.098 3.694 -8.170 1.00 0.65 C ATOM 901 CD GLU A 140 7.262 4.105 -9.363 1.00 0.62 C ATOM 902 OE1 GLU A 140 6.522 3.262 -9.918 1.00 0.60 O ATOM 903 OE2 GLU A 140 7.362 5.265 -9.791 1.00 0.68 O ATOM 0 H GLU A 140 8.744 1.530 -6.762 1.00 0.68 H new ATOM 0 HA GLU A 140 8.832 4.042 -5.508 1.00 0.64 H new ATOM 0 HB2 GLU A 140 6.563 2.720 -7.046 1.00 0.58 H new ATOM 0 HB3 GLU A 140 6.711 4.435 -6.722 1.00 0.58 H new ATOM 0 HG2 GLU A 140 8.871 4.443 -8.000 1.00 0.65 H new ATOM 0 HG3 GLU A 140 8.606 2.757 -8.396 1.00 0.65 H new ATOM 910 N PHE A 141 6.613 1.927 -4.313 1.00 0.60 N ATOM 911 CA PHE A 141 5.718 1.624 -3.205 1.00 0.62 C ATOM 912 C PHE A 141 6.417 1.825 -1.859 1.00 0.72 C ATOM 913 O PHE A 141 5.945 2.576 -1.006 1.00 0.77 O ATOM 914 CB PHE A 141 5.248 0.174 -3.347 1.00 0.64 C ATOM 915 CG PHE A 141 4.233 -0.273 -2.335 1.00 0.59 C ATOM 916 CD1 PHE A 141 2.904 0.094 -2.459 1.00 0.61 C ATOM 917 CD2 PHE A 141 4.605 -1.078 -1.271 1.00 0.73 C ATOM 918 CE1 PHE A 141 1.967 -0.332 -1.538 1.00 0.74 C ATOM 919 CE2 PHE A 141 3.670 -1.508 -0.350 1.00 0.85 C ATOM 920 CZ PHE A 141 2.350 -1.135 -0.483 1.00 0.85 C ATOM 0 H PHE A 141 6.707 1.164 -4.984 1.00 0.60 H new ATOM 0 HA PHE A 141 4.865 2.302 -3.234 1.00 0.62 H new ATOM 0 HB2 PHE A 141 4.826 0.042 -4.343 1.00 0.64 H new ATOM 0 HB3 PHE A 141 6.117 -0.481 -3.280 1.00 0.64 H new ATOM 0 HD1 PHE A 141 2.597 0.720 -3.284 1.00 0.61 H new ATOM 0 HD2 PHE A 141 5.638 -1.373 -1.160 1.00 0.73 H new ATOM 0 HE1 PHE A 141 0.934 -0.036 -1.644 1.00 0.74 H new ATOM 0 HE2 PHE A 141 3.973 -2.136 0.474 1.00 0.85 H new ATOM 0 HZ PHE A 141 1.617 -1.470 0.236 1.00 0.85 H new ATOM 930 N VAL A 142 7.557 1.170 -1.696 1.00 0.80 N ATOM 931 CA VAL A 142 8.319 1.250 -0.459 1.00 0.92 C ATOM 932 C VAL A 142 8.960 2.627 -0.267 1.00 0.91 C ATOM 933 O VAL A 142 8.905 3.191 0.826 1.00 0.99 O ATOM 934 CB VAL A 142 9.415 0.162 -0.409 1.00 1.06 C ATOM 935 CG1 VAL A 142 10.256 0.293 0.854 1.00 1.23 C ATOM 936 CG2 VAL A 142 8.792 -1.222 -0.495 1.00 1.07 C ATOM 0 H VAL A 142 7.976 0.574 -2.410 1.00 0.80 H new ATOM 0 HA VAL A 142 7.610 1.085 0.353 1.00 0.92 H new ATOM 0 HB VAL A 142 10.072 0.301 -1.267 1.00 1.06 H new ATOM 0 HG11 VAL A 142 11.020 -0.484 0.865 1.00 1.23 H new ATOM 0 HG12 VAL A 142 10.734 1.272 0.873 1.00 1.23 H new ATOM 0 HG13 VAL A 142 9.616 0.185 1.730 1.00 1.23 H new ATOM 0 HG21 VAL A 142 9.577 -1.977 -0.459 1.00 1.07 H new ATOM 0 HG22 VAL A 142 8.110 -1.367 0.343 1.00 1.07 H new ATOM 0 HG23 VAL A 142 8.242 -1.316 -1.431 1.00 1.07 H new ATOM 946 N GLN A 143 9.547 3.174 -1.328 1.00 0.87 N ATOM 947 CA GLN A 143 10.218 4.471 -1.256 1.00 0.91 C ATOM 948 C GLN A 143 9.253 5.606 -0.914 1.00 0.82 C ATOM 949 O GLN A 143 9.561 6.462 -0.084 1.00 0.95 O ATOM 950 CB GLN A 143 10.924 4.769 -2.580 1.00 0.96 C ATOM 951 CG GLN A 143 11.745 6.052 -2.567 1.00 1.27 C ATOM 952 CD GLN A 143 12.387 6.347 -3.908 1.00 1.43 C ATOM 953 OE1 GLN A 143 11.790 6.993 -4.766 1.00 1.65 O ATOM 954 NE2 GLN A 143 13.613 5.886 -4.094 1.00 1.96 N ATOM 0 H GLN A 143 9.572 2.739 -2.250 1.00 0.87 H new ATOM 0 HA GLN A 143 10.951 4.412 -0.451 1.00 0.91 H new ATOM 0 HB2 GLN A 143 11.578 3.933 -2.828 1.00 0.96 H new ATOM 0 HB3 GLN A 143 10.178 4.835 -3.372 1.00 0.96 H new ATOM 0 HG2 GLN A 143 11.103 6.887 -2.284 1.00 1.27 H new ATOM 0 HG3 GLN A 143 12.521 5.974 -1.806 1.00 1.27 H new ATOM 0 HE21 GLN A 143 14.075 5.354 -3.357 1.00 1.96 H new ATOM 0 HE22 GLN A 143 14.096 6.063 -4.975 1.00 1.96 H new ATOM 963 N MET A 144 8.089 5.609 -1.550 1.00 0.68 N ATOM 964 CA MET A 144 7.099 6.654 -1.321 1.00 0.64 C ATOM 965 C MET A 144 6.494 6.566 0.081 1.00 0.64 C ATOM 966 O MET A 144 6.356 7.577 0.770 1.00 0.70 O ATOM 967 CB MET A 144 5.994 6.568 -2.371 1.00 0.65 C ATOM 968 CG MET A 144 5.070 7.774 -2.395 1.00 0.71 C ATOM 969 SD MET A 144 3.372 7.363 -1.959 1.00 0.89 S ATOM 970 CE MET A 144 2.518 8.798 -2.604 1.00 0.60 C ATOM 0 H MET A 144 7.807 4.901 -2.228 1.00 0.68 H new ATOM 0 HA MET A 144 7.608 7.614 -1.404 1.00 0.64 H new ATOM 0 HB2 MET A 144 6.449 6.452 -3.354 1.00 0.65 H new ATOM 0 HB3 MET A 144 5.401 5.672 -2.187 1.00 0.65 H new ATOM 0 HG2 MET A 144 5.446 8.527 -1.702 1.00 0.71 H new ATOM 0 HG3 MET A 144 5.087 8.219 -3.390 1.00 0.71 H new ATOM 0 HE1 MET A 144 1.627 8.991 -2.006 1.00 0.60 H new ATOM 0 HE2 MET A 144 3.178 9.664 -2.561 1.00 0.60 H new ATOM 0 HE3 MET A 144 2.227 8.614 -3.638 1.00 0.60 H new ATOM 980 N MET A 145 6.143 5.358 0.501 1.00 0.67 N ATOM 981 CA MET A 145 5.534 5.151 1.810 1.00 0.79 C ATOM 982 C MET A 145 6.538 5.334 2.942 1.00 0.89 C ATOM 983 O MET A 145 6.267 6.041 3.918 1.00 0.98 O ATOM 984 CB MET A 145 4.906 3.767 1.881 1.00 0.92 C ATOM 985 CG MET A 145 3.594 3.665 1.125 1.00 0.94 C ATOM 986 SD MET A 145 3.051 1.963 0.932 1.00 1.14 S ATOM 987 CE MET A 145 1.329 2.199 0.514 1.00 0.68 C ATOM 0 H MET A 145 6.269 4.506 -0.045 1.00 0.67 H new ATOM 0 HA MET A 145 4.759 5.907 1.936 1.00 0.79 H new ATOM 0 HB2 MET A 145 5.607 3.036 1.479 1.00 0.92 H new ATOM 0 HB3 MET A 145 4.737 3.505 2.926 1.00 0.92 H new ATOM 0 HG2 MET A 145 2.827 4.231 1.654 1.00 0.94 H new ATOM 0 HG3 MET A 145 3.707 4.122 0.142 1.00 0.94 H new ATOM 0 HE1 MET A 145 0.738 1.384 0.932 1.00 0.68 H new ATOM 0 HE2 MET A 145 0.981 3.147 0.925 1.00 0.68 H new ATOM 0 HE3 MET A 145 1.216 2.210 -0.570 1.00 0.68 H new ATOM 997 N THR A 146 7.700 4.713 2.806 1.00 0.98 N ATOM 998 CA THR A 146 8.736 4.805 3.823 1.00 1.16 C ATOM 999 C THR A 146 9.608 6.036 3.589 1.00 1.21 C ATOM 1000 O THR A 146 10.839 5.963 3.603 1.00 1.37 O ATOM 1001 CB THR A 146 9.617 3.541 3.847 1.00 1.29 C ATOM 1002 OG1 THR A 146 8.853 2.407 3.414 1.00 1.26 O ATOM 1003 CG2 THR A 146 10.156 3.282 5.248 1.00 1.53 C ATOM 0 H THR A 146 7.949 4.139 2.000 1.00 0.98 H new ATOM 0 HA THR A 146 8.239 4.894 4.789 1.00 1.16 H new ATOM 0 HB THR A 146 10.458 3.698 3.172 1.00 1.29 H new ATOM 0 HG1 THR A 146 8.787 2.411 2.436 1.00 1.26 H new ATOM 0 HG21 THR A 146 10.775 2.385 5.240 1.00 1.53 H new ATOM 0 HG22 THR A 146 10.756 4.133 5.570 1.00 1.53 H new ATOM 0 HG23 THR A 146 9.324 3.142 5.938 1.00 1.53 H new ATOM 1011 N ALA A 147 8.950 7.165 3.361 1.00 1.20 N ATOM 1012 CA ALA A 147 9.639 8.420 3.131 1.00 1.32 C ATOM 1013 C ALA A 147 10.306 8.898 4.413 1.00 1.47 C ATOM 1014 O ALA A 147 9.678 8.936 5.476 1.00 1.64 O ATOM 1015 CB ALA A 147 8.672 9.467 2.601 1.00 1.35 C ATOM 0 H ALA A 147 7.933 7.233 3.331 1.00 1.20 H new ATOM 0 HA ALA A 147 10.413 8.262 2.380 1.00 1.32 H new ATOM 0 HB1 ALA A 147 9.205 10.403 2.434 1.00 1.35 H new ATOM 0 HB2 ALA A 147 8.241 9.122 1.661 1.00 1.35 H new ATOM 0 HB3 ALA A 147 7.876 9.628 3.328 1.00 1.35 H new ATOM 1021 N LYS A 148 11.575 9.246 4.315 1.00 1.60 N ATOM 1022 CA LYS A 148 12.331 9.711 5.462 1.00 1.83 C ATOM 1023 C LYS A 148 13.032 11.020 5.123 1.00 2.10 C ATOM 1024 O LYS A 148 13.380 11.213 3.941 1.00 2.31 O ATOM 1025 CB LYS A 148 13.347 8.643 5.886 1.00 2.09 C ATOM 1026 CG LYS A 148 14.126 9.003 7.140 1.00 2.36 C ATOM 1027 CD LYS A 148 15.550 9.428 6.815 1.00 2.64 C ATOM 1028 CE LYS A 148 15.998 10.581 7.696 1.00 2.97 C ATOM 1029 NZ LYS A 148 15.693 11.901 7.083 1.00 3.35 N ATOM 1030 OXT LYS A 148 13.232 11.851 6.033 1.00 2.41 O ATOM 0 H LYS A 148 12.107 9.215 3.445 1.00 1.60 H new ATOM 0 HA LYS A 148 11.651 9.889 6.295 1.00 1.83 H new ATOM 0 HB2 LYS A 148 12.823 7.702 6.052 1.00 2.09 H new ATOM 0 HB3 LYS A 148 14.049 8.477 5.068 1.00 2.09 H new ATOM 0 HG2 LYS A 148 13.616 9.810 7.666 1.00 2.36 H new ATOM 0 HG3 LYS A 148 14.147 8.147 7.814 1.00 2.36 H new ATOM 0 HD2 LYS A 148 16.224 8.582 6.950 1.00 2.64 H new ATOM 0 HD3 LYS A 148 15.614 9.722 5.767 1.00 2.64 H new ATOM 0 HE2 LYS A 148 15.505 10.509 8.666 1.00 2.97 H new ATOM 0 HE3 LYS A 148 17.070 10.504 7.877 1.00 2.97 H new ATOM 0 HZ1 LYS A 148 15.758 12.644 7.808 1.00 3.35 H new ATOM 0 HZ2 LYS A 148 16.376 12.097 6.324 1.00 3.35 H new ATOM 0 HZ3 LYS A 148 14.731 11.886 6.688 1.00 3.35 H new TER 1044 LYS A 148 ATOM 1045 N ARG B 287 -2.476 16.381 -2.034 1.00 2.05 N ATOM 1046 CA ARG B 287 -1.505 15.517 -1.326 1.00 1.53 C ATOM 1047 C ARG B 287 -2.042 14.104 -1.208 1.00 1.32 C ATOM 1048 O ARG B 287 -3.208 13.898 -0.874 1.00 1.51 O ATOM 1049 CB ARG B 287 -1.200 16.067 0.067 1.00 1.48 C ATOM 1050 CG ARG B 287 -0.078 17.090 0.092 1.00 1.75 C ATOM 1051 CD ARG B 287 1.286 16.441 -0.118 1.00 1.82 C ATOM 1052 NE ARG B 287 1.639 16.314 -1.535 1.00 1.74 N ATOM 1053 CZ ARG B 287 2.219 17.276 -2.256 1.00 1.95 C ATOM 1054 NH1 ARG B 287 2.489 18.454 -1.706 1.00 2.21 N ATOM 1055 NH2 ARG B 287 2.535 17.052 -3.525 1.00 2.14 N ATOM 0 HA ARG B 287 -0.583 15.504 -1.907 1.00 1.53 H new ATOM 0 HB2 ARG B 287 -2.103 16.523 0.473 1.00 1.48 H new ATOM 0 HB3 ARG B 287 -0.938 15.238 0.725 1.00 1.48 H new ATOM 0 HG2 ARG B 287 -0.249 17.836 -0.684 1.00 1.75 H new ATOM 0 HG3 ARG B 287 -0.087 17.616 1.047 1.00 1.75 H new ATOM 0 HD2 ARG B 287 2.047 17.032 0.390 1.00 1.82 H new ATOM 0 HD3 ARG B 287 1.289 15.453 0.343 1.00 1.82 H new ATOM 0 HE ARG B 287 1.427 15.432 -2.001 1.00 1.74 H new ATOM 0 HH11 ARG B 287 2.253 18.627 -0.729 1.00 2.21 H new ATOM 0 HH12 ARG B 287 2.932 19.186 -2.261 1.00 2.21 H new ATOM 0 HH21 ARG B 287 2.335 16.146 -3.948 1.00 2.14 H new ATOM 0 HH22 ARG B 287 2.978 17.786 -4.077 1.00 2.14 H new ATOM 1071 N ALA B 288 -1.183 13.137 -1.488 1.00 1.19 N ATOM 1072 CA ALA B 288 -1.554 11.734 -1.420 1.00 1.22 C ATOM 1073 C ALA B 288 -0.487 10.918 -0.709 1.00 1.09 C ATOM 1074 O ALA B 288 -0.699 9.746 -0.386 1.00 1.06 O ATOM 1075 CB ALA B 288 -1.777 11.198 -2.816 1.00 1.57 C ATOM 0 H ALA B 288 -0.216 13.301 -1.767 1.00 1.19 H new ATOM 0 HA ALA B 288 -2.478 11.649 -0.847 1.00 1.22 H new ATOM 0 HB1 ALA B 288 -2.055 10.145 -2.762 1.00 1.57 H new ATOM 0 HB2 ALA B 288 -2.577 11.760 -3.298 1.00 1.57 H new ATOM 0 HB3 ALA B 288 -0.860 11.301 -3.396 1.00 1.57 H new ATOM 1081 N ALA B 289 0.661 11.549 -0.471 1.00 1.09 N ATOM 1082 CA ALA B 289 1.789 10.908 0.201 1.00 1.10 C ATOM 1083 C ALA B 289 1.404 10.358 1.568 1.00 0.97 C ATOM 1084 O ALA B 289 2.080 9.488 2.103 1.00 1.13 O ATOM 1085 CB ALA B 289 2.941 11.893 0.349 1.00 1.18 C ATOM 0 H ALA B 289 0.835 12.518 -0.738 1.00 1.09 H new ATOM 0 HA ALA B 289 2.100 10.068 -0.419 1.00 1.10 H new ATOM 0 HB1 ALA B 289 3.776 11.404 0.851 1.00 1.18 H new ATOM 0 HB2 ALA B 289 3.259 12.232 -0.637 1.00 1.18 H new ATOM 0 HB3 ALA B 289 2.614 12.749 0.939 1.00 1.18 H new ATOM 1091 N ASN B 290 0.335 10.887 2.145 1.00 0.80 N ATOM 1092 CA ASN B 290 -0.131 10.435 3.450 1.00 0.72 C ATOM 1093 C ASN B 290 -1.170 9.320 3.314 1.00 0.65 C ATOM 1094 O ASN B 290 -1.272 8.433 4.174 1.00 0.64 O ATOM 1095 CB ASN B 290 -0.727 11.600 4.251 1.00 0.77 C ATOM 1096 CG ASN B 290 -2.060 12.073 3.699 1.00 0.88 C ATOM 1097 OD1 ASN B 290 -2.171 12.424 2.522 1.00 1.07 O ATOM 1098 ND2 ASN B 290 -3.079 12.084 4.547 1.00 1.04 N ATOM 0 H ASN B 290 -0.227 11.630 1.731 1.00 0.80 H new ATOM 0 HA ASN B 290 0.734 10.041 3.984 1.00 0.72 H new ATOM 0 HB2 ASN B 290 -0.857 11.292 5.289 1.00 0.77 H new ATOM 0 HB3 ASN B 290 -0.023 12.432 4.251 1.00 0.77 H new ATOM 0 HD21 ASN B 290 -4.000 12.391 4.234 1.00 1.04 H new ATOM 0 HD22 ASN B 290 -2.942 11.785 5.513 1.00 1.04 H new ATOM 1105 N LEU B 291 -1.921 9.332 2.219 1.00 0.64 N ATOM 1106 CA LEU B 291 -2.964 8.338 2.038 1.00 0.61 C ATOM 1107 C LEU B 291 -2.416 6.952 1.734 1.00 0.52 C ATOM 1108 O LEU B 291 -2.952 5.989 2.249 1.00 0.52 O ATOM 1109 CB LEU B 291 -3.993 8.750 0.994 1.00 0.67 C ATOM 1110 CG LEU B 291 -5.427 8.775 1.527 1.00 0.77 C ATOM 1111 CD1 LEU B 291 -5.728 10.110 2.189 1.00 1.52 C ATOM 1112 CD2 LEU B 291 -6.424 8.477 0.420 1.00 1.28 C ATOM 0 H LEU B 291 -1.829 10.006 1.459 1.00 0.64 H new ATOM 0 HA LEU B 291 -3.473 8.282 3.000 1.00 0.61 H new ATOM 0 HB2 LEU B 291 -3.738 9.739 0.614 1.00 0.67 H new ATOM 0 HB3 LEU B 291 -3.939 8.061 0.151 1.00 0.67 H new ATOM 0 HG LEU B 291 -5.524 7.993 2.280 1.00 0.77 H new ATOM 0 HD11 LEU B 291 -6.752 10.109 2.562 1.00 1.52 H new ATOM 0 HD12 LEU B 291 -5.040 10.268 3.020 1.00 1.52 H new ATOM 0 HD13 LEU B 291 -5.608 10.912 1.461 1.00 1.52 H new ATOM 0 HD21 LEU B 291 -7.436 8.501 0.825 1.00 1.28 H new ATOM 0 HD22 LEU B 291 -6.330 9.227 -0.366 1.00 1.28 H new ATOM 0 HD23 LEU B 291 -6.223 7.489 0.005 1.00 1.28 H new ATOM 1124 N TRP B 292 -1.383 6.821 0.897 1.00 0.48 N ATOM 1125 CA TRP B 292 -0.829 5.485 0.639 1.00 0.42 C ATOM 1126 C TRP B 292 -0.381 4.854 1.977 1.00 0.42 C ATOM 1127 O TRP B 292 -0.744 3.702 2.282 1.00 0.41 O ATOM 1128 CB TRP B 292 0.339 5.493 -0.363 1.00 0.41 C ATOM 1129 CG TRP B 292 0.002 5.864 -1.783 1.00 0.32 C ATOM 1130 CD1 TRP B 292 -0.245 7.119 -2.254 1.00 0.32 C ATOM 1131 CD2 TRP B 292 -0.072 4.988 -2.930 1.00 0.27 C ATOM 1132 NE1 TRP B 292 -0.421 7.094 -3.611 1.00 0.29 N ATOM 1133 CE2 TRP B 292 -0.325 5.804 -4.049 1.00 0.25 C ATOM 1134 CE3 TRP B 292 0.068 3.600 -3.140 1.00 0.31 C ATOM 1135 CZ2 TRP B 292 -0.430 5.288 -5.333 1.00 0.27 C ATOM 1136 CZ3 TRP B 292 -0.051 3.110 -4.438 1.00 0.31 C ATOM 1137 CH2 TRP B 292 -0.291 3.967 -5.500 1.00 0.29 C ATOM 0 H TRP B 292 -0.927 7.588 0.403 1.00 0.48 H new ATOM 0 HA TRP B 292 -1.619 4.890 0.180 1.00 0.42 H new ATOM 0 HB2 TRP B 292 1.096 6.188 0.001 1.00 0.41 H new ATOM 0 HB3 TRP B 292 0.792 4.502 -0.367 1.00 0.41 H new ATOM 0 HD1 TRP B 292 -0.295 8.008 -1.643 1.00 0.32 H new ATOM 0 HE1 TRP B 292 -0.596 7.908 -4.200 1.00 0.29 H new ATOM 0 HE3 TRP B 292 0.263 2.933 -2.313 1.00 0.31 H new ATOM 0 HZ2 TRP B 292 -0.619 5.936 -6.176 1.00 0.27 H new ATOM 0 HZ3 TRP B 292 0.045 2.050 -4.619 1.00 0.31 H new ATOM 0 HH2 TRP B 292 -0.369 3.556 -6.496 1.00 0.29 H new ATOM 1148 N PRO B 293 0.426 5.574 2.812 1.00 0.47 N ATOM 1149 CA PRO B 293 0.827 5.057 4.120 1.00 0.51 C ATOM 1150 C PRO B 293 -0.376 4.748 4.996 1.00 0.51 C ATOM 1151 O PRO B 293 -0.261 3.992 5.951 1.00 0.52 O ATOM 1152 CB PRO B 293 1.646 6.186 4.736 1.00 0.59 C ATOM 1153 CG PRO B 293 2.156 6.944 3.576 1.00 0.61 C ATOM 1154 CD PRO B 293 1.067 6.872 2.541 1.00 0.53 C ATOM 0 HA PRO B 293 1.381 4.123 4.030 1.00 0.51 H new ATOM 0 HB2 PRO B 293 1.034 6.814 5.383 1.00 0.59 H new ATOM 0 HB3 PRO B 293 2.461 5.798 5.347 1.00 0.59 H new ATOM 0 HG2 PRO B 293 2.373 7.977 3.847 1.00 0.61 H new ATOM 0 HG3 PRO B 293 3.083 6.511 3.201 1.00 0.61 H new ATOM 0 HD2 PRO B 293 0.362 7.697 2.641 1.00 0.53 H new ATOM 0 HD3 PRO B 293 1.470 6.918 1.529 1.00 0.53 H new ATOM 1162 N SER B 294 -1.523 5.359 4.688 1.00 0.52 N ATOM 1163 CA SER B 294 -2.736 5.092 5.451 1.00 0.55 C ATOM 1164 C SER B 294 -3.066 3.586 5.412 1.00 0.51 C ATOM 1165 O SER B 294 -3.051 2.963 6.471 1.00 0.52 O ATOM 1166 CB SER B 294 -3.900 5.975 4.991 1.00 0.59 C ATOM 1167 OG SER B 294 -3.646 7.337 5.299 1.00 0.67 O ATOM 0 H SER B 294 -1.633 6.030 3.928 1.00 0.52 H new ATOM 0 HA SER B 294 -2.562 5.358 6.494 1.00 0.55 H new ATOM 0 HB2 SER B 294 -4.048 5.861 3.917 1.00 0.59 H new ATOM 0 HB3 SER B 294 -4.822 5.653 5.476 1.00 0.59 H new ATOM 0 HG SER B 294 -2.780 7.601 4.924 1.00 0.67 H new ATOM 1173 N PRO B 295 -3.374 2.941 4.236 1.00 0.47 N ATOM 1174 CA PRO B 295 -3.607 1.489 4.212 1.00 0.46 C ATOM 1175 C PRO B 295 -2.421 0.727 4.790 1.00 0.44 C ATOM 1176 O PRO B 295 -2.586 -0.359 5.346 1.00 0.46 O ATOM 1177 CB PRO B 295 -3.774 1.157 2.730 1.00 0.46 C ATOM 1178 CG PRO B 295 -4.265 2.411 2.124 1.00 0.58 C ATOM 1179 CD PRO B 295 -3.613 3.521 2.905 1.00 0.47 C ATOM 0 HA PRO B 295 -4.472 1.207 4.812 1.00 0.46 H new ATOM 0 HB2 PRO B 295 -2.830 0.844 2.284 1.00 0.46 H new ATOM 0 HB3 PRO B 295 -4.482 0.341 2.583 1.00 0.46 H new ATOM 0 HG2 PRO B 295 -4.000 2.466 1.068 1.00 0.58 H new ATOM 0 HG3 PRO B 295 -5.351 2.476 2.183 1.00 0.58 H new ATOM 0 HD2 PRO B 295 -2.682 3.841 2.438 1.00 0.47 H new ATOM 0 HD3 PRO B 295 -4.258 4.398 2.964 1.00 0.47 H new ATOM 1187 N LEU B 296 -1.219 1.290 4.647 1.00 0.44 N ATOM 1188 CA LEU B 296 -0.024 0.659 5.204 1.00 0.45 C ATOM 1189 C LEU B 296 -0.113 0.640 6.729 1.00 0.43 C ATOM 1190 O LEU B 296 0.181 -0.368 7.376 1.00 0.43 O ATOM 1191 CB LEU B 296 1.244 1.385 4.753 1.00 0.48 C ATOM 1192 CG LEU B 296 2.444 0.471 4.498 1.00 0.69 C ATOM 1193 CD1 LEU B 296 2.214 -0.367 3.249 1.00 0.91 C ATOM 1194 CD2 LEU B 296 3.725 1.283 4.380 1.00 0.94 C ATOM 0 H LEU B 296 -1.050 2.169 4.157 1.00 0.44 H new ATOM 0 HA LEU B 296 0.029 -0.365 4.835 1.00 0.45 H new ATOM 0 HB2 LEU B 296 1.025 1.938 3.840 1.00 0.48 H new ATOM 0 HB3 LEU B 296 1.517 2.118 5.512 1.00 0.48 H new ATOM 0 HG LEU B 296 2.553 -0.203 5.348 1.00 0.69 H new ATOM 0 HD11 LEU B 296 3.076 -1.012 3.080 1.00 0.91 H new ATOM 0 HD12 LEU B 296 1.322 -0.980 3.381 1.00 0.91 H new ATOM 0 HD13 LEU B 296 2.079 0.290 2.390 1.00 0.91 H new ATOM 0 HD21 LEU B 296 4.565 0.613 4.199 1.00 0.94 H new ATOM 0 HD22 LEU B 296 3.636 1.985 3.551 1.00 0.94 H new ATOM 0 HD23 LEU B 296 3.893 1.834 5.305 1.00 0.94 H new ATOM 1206 N MET B 297 -0.532 1.763 7.304 1.00 0.49 N ATOM 1207 CA MET B 297 -0.707 1.860 8.746 1.00 0.51 C ATOM 1208 C MET B 297 -1.875 0.973 9.144 1.00 0.46 C ATOM 1209 O MET B 297 -1.905 0.408 10.238 1.00 0.47 O ATOM 1210 CB MET B 297 -0.950 3.311 9.183 1.00 0.60 C ATOM 1211 CG MET B 297 0.312 4.169 9.173 1.00 0.95 C ATOM 1212 SD MET B 297 0.043 5.838 9.811 1.00 1.26 S ATOM 1213 CE MET B 297 -1.146 6.468 8.629 1.00 1.48 C ATOM 0 H MET B 297 -0.756 2.617 6.793 1.00 0.49 H new ATOM 0 HA MET B 297 0.202 1.527 9.246 1.00 0.51 H new ATOM 0 HB2 MET B 297 -1.691 3.762 8.523 1.00 0.60 H new ATOM 0 HB3 MET B 297 -1.374 3.314 10.187 1.00 0.60 H new ATOM 0 HG2 MET B 297 1.082 3.679 9.769 1.00 0.95 H new ATOM 0 HG3 MET B 297 0.692 4.234 8.153 1.00 0.95 H new ATOM 0 HE1 MET B 297 -1.251 7.545 8.757 1.00 1.48 H new ATOM 0 HE2 MET B 297 -0.801 6.255 7.617 1.00 1.48 H new ATOM 0 HE3 MET B 297 -2.111 5.988 8.792 1.00 1.48 H new ATOM 1223 N ILE B 298 -2.836 0.849 8.229 1.00 0.46 N ATOM 1224 CA ILE B 298 -3.991 -0.010 8.438 1.00 0.49 C ATOM 1225 C ILE B 298 -3.524 -1.460 8.468 1.00 0.48 C ATOM 1226 O ILE B 298 -4.125 -2.298 9.123 1.00 0.54 O ATOM 1227 CB ILE B 298 -5.062 0.182 7.335 1.00 0.59 C ATOM 1228 CG1 ILE B 298 -5.653 1.596 7.397 1.00 0.61 C ATOM 1229 CG2 ILE B 298 -6.171 -0.859 7.456 1.00 0.70 C ATOM 1230 CD1 ILE B 298 -6.388 1.904 8.689 1.00 0.62 C ATOM 0 H ILE B 298 -2.833 1.337 7.333 1.00 0.46 H new ATOM 0 HA ILE B 298 -4.456 0.259 9.387 1.00 0.49 H new ATOM 0 HB ILE B 298 -4.574 0.048 6.370 1.00 0.59 H new ATOM 0 HG12 ILE B 298 -4.849 2.320 7.267 1.00 0.61 H new ATOM 0 HG13 ILE B 298 -6.339 1.728 6.561 1.00 0.61 H new ATOM 0 HG21 ILE B 298 -6.908 -0.699 6.669 1.00 0.70 H new ATOM 0 HG22 ILE B 298 -5.745 -1.857 7.357 1.00 0.70 H new ATOM 0 HG23 ILE B 298 -6.653 -0.765 8.429 1.00 0.70 H new ATOM 0 HD11 ILE B 298 -6.775 2.922 8.653 1.00 0.62 H new ATOM 0 HD12 ILE B 298 -7.215 1.205 8.813 1.00 0.62 H new ATOM 0 HD13 ILE B 298 -5.702 1.806 9.530 1.00 0.62 H new ATOM 1242 N LYS B 299 -2.432 -1.745 7.755 1.00 0.47 N ATOM 1243 CA LYS B 299 -1.861 -3.083 7.737 1.00 0.51 C ATOM 1244 C LYS B 299 -1.353 -3.411 9.131 1.00 0.54 C ATOM 1245 O LYS B 299 -1.543 -4.517 9.631 1.00 0.65 O ATOM 1246 CB LYS B 299 -0.714 -3.187 6.725 1.00 0.52 C ATOM 1247 CG LYS B 299 -0.909 -4.279 5.680 1.00 0.89 C ATOM 1248 CD LYS B 299 0.053 -5.444 5.890 1.00 1.19 C ATOM 1249 CE LYS B 299 -0.247 -6.196 7.178 1.00 1.15 C ATOM 1250 NZ LYS B 299 0.531 -7.459 7.288 1.00 1.21 N ATOM 0 H LYS B 299 -1.930 -1.064 7.185 1.00 0.47 H new ATOM 0 HA LYS B 299 -2.631 -3.793 7.436 1.00 0.51 H new ATOM 0 HB2 LYS B 299 -0.602 -2.229 6.218 1.00 0.52 H new ATOM 0 HB3 LYS B 299 0.216 -3.374 7.262 1.00 0.52 H new ATOM 0 HG2 LYS B 299 -1.935 -4.643 5.723 1.00 0.89 H new ATOM 0 HG3 LYS B 299 -0.760 -3.860 4.685 1.00 0.89 H new ATOM 0 HD2 LYS B 299 -0.015 -6.129 5.045 1.00 1.19 H new ATOM 0 HD3 LYS B 299 1.077 -5.070 5.917 1.00 1.19 H new ATOM 0 HE2 LYS B 299 -0.020 -5.556 8.031 1.00 1.15 H new ATOM 0 HE3 LYS B 299 -1.312 -6.423 7.224 1.00 1.15 H new ATOM 0 HZ1 LYS B 299 0.081 -8.084 7.987 1.00 1.21 H new ATOM 0 HZ2 LYS B 299 0.555 -7.934 6.363 1.00 1.21 H new ATOM 0 HZ3 LYS B 299 1.502 -7.243 7.591 1.00 1.21 H new ATOM 1264 N ARG B 300 -0.706 -2.430 9.753 1.00 0.53 N ATOM 1265 CA ARG B 300 -0.193 -2.593 11.106 1.00 0.64 C ATOM 1266 C ARG B 300 -1.360 -2.641 12.092 1.00 0.65 C ATOM 1267 O ARG B 300 -1.319 -3.371 13.083 1.00 0.77 O ATOM 1268 CB ARG B 300 0.772 -1.457 11.466 1.00 0.71 C ATOM 1269 CG ARG B 300 1.753 -1.822 12.572 1.00 0.99 C ATOM 1270 CD ARG B 300 1.474 -1.054 13.855 1.00 1.31 C ATOM 1271 NE ARG B 300 1.991 0.312 13.808 1.00 1.62 N ATOM 1272 CZ ARG B 300 1.880 1.192 14.805 1.00 1.96 C ATOM 1273 NH1 ARG B 300 1.261 0.859 15.932 1.00 2.28 N ATOM 1274 NH2 ARG B 300 2.389 2.409 14.675 1.00 2.51 N ATOM 0 H ARG B 300 -0.525 -1.515 9.340 1.00 0.53 H new ATOM 0 HA ARG B 300 0.362 -3.530 11.162 1.00 0.64 H new ATOM 0 HB2 ARG B 300 1.331 -1.170 10.575 1.00 0.71 H new ATOM 0 HB3 ARG B 300 0.195 -0.585 11.775 1.00 0.71 H new ATOM 0 HG2 ARG B 300 1.695 -2.892 12.770 1.00 0.99 H new ATOM 0 HG3 ARG B 300 2.770 -1.614 12.238 1.00 0.99 H new ATOM 0 HD2 ARG B 300 0.399 -1.027 14.033 1.00 1.31 H new ATOM 0 HD3 ARG B 300 1.923 -1.581 14.696 1.00 1.31 H new ATOM 0 HE ARG B 300 2.468 0.612 12.958 1.00 1.62 H new ATOM 0 HH11 ARG B 300 0.866 -0.075 16.040 1.00 2.28 H new ATOM 0 HH12 ARG B 300 1.180 1.538 16.689 1.00 2.28 H new ATOM 0 HH21 ARG B 300 2.866 2.673 13.813 1.00 2.51 H new ATOM 0 HH22 ARG B 300 2.304 3.081 15.437 1.00 2.51 H new ATOM 1288 N SER B 301 -2.402 -1.860 11.807 1.00 0.57 N ATOM 1289 CA SER B 301 -3.596 -1.840 12.647 1.00 0.62 C ATOM 1290 C SER B 301 -4.315 -3.185 12.540 1.00 0.71 C ATOM 1291 O SER B 301 -4.715 -3.775 13.544 1.00 0.81 O ATOM 1292 CB SER B 301 -4.538 -0.702 12.225 1.00 0.59 C ATOM 1293 OG SER B 301 -3.847 0.536 12.117 1.00 0.58 O ATOM 0 H SER B 301 -2.442 -1.235 11.002 1.00 0.57 H new ATOM 0 HA SER B 301 -3.297 -1.668 13.681 1.00 0.62 H new ATOM 0 HB2 SER B 301 -4.999 -0.947 11.268 1.00 0.59 H new ATOM 0 HB3 SER B 301 -5.344 -0.607 12.953 1.00 0.59 H new ATOM 0 HG SER B 301 -3.139 0.458 11.444 1.00 0.58 H new ATOM 1299 N LYS B 302 -4.443 -3.673 11.306 1.00 0.72 N ATOM 1300 CA LYS B 302 -5.084 -4.953 11.034 1.00 0.86 C ATOM 1301 C LYS B 302 -4.268 -6.066 11.668 1.00 0.97 C ATOM 1302 O LYS B 302 -4.817 -7.041 12.159 1.00 1.11 O ATOM 1303 CB LYS B 302 -5.203 -5.189 9.527 1.00 0.89 C ATOM 1304 CG LYS B 302 -6.564 -5.710 9.082 1.00 1.18 C ATOM 1305 CD LYS B 302 -7.422 -4.594 8.513 1.00 1.42 C ATOM 1306 CE LYS B 302 -8.738 -5.121 7.959 1.00 1.92 C ATOM 1307 NZ LYS B 302 -9.684 -5.522 9.036 1.00 2.25 N ATOM 0 H LYS B 302 -4.106 -3.192 10.472 1.00 0.72 H new ATOM 0 HA LYS B 302 -6.088 -4.943 11.459 1.00 0.86 H new ATOM 0 HB2 LYS B 302 -4.997 -4.254 9.007 1.00 0.89 H new ATOM 0 HB3 LYS B 302 -4.436 -5.900 9.220 1.00 0.89 H new ATOM 0 HG2 LYS B 302 -6.430 -6.488 8.330 1.00 1.18 H new ATOM 0 HG3 LYS B 302 -7.075 -6.169 9.928 1.00 1.18 H new ATOM 0 HD2 LYS B 302 -7.624 -3.858 9.291 1.00 1.42 H new ATOM 0 HD3 LYS B 302 -6.874 -4.081 7.723 1.00 1.42 H new ATOM 0 HE2 LYS B 302 -9.201 -4.354 7.338 1.00 1.92 H new ATOM 0 HE3 LYS B 302 -8.541 -5.977 7.314 1.00 1.92 H new ATOM 0 HZ1 LYS B 302 -10.565 -5.874 8.611 1.00 2.25 H new ATOM 0 HZ2 LYS B 302 -9.254 -6.273 9.614 1.00 2.25 H new ATOM 0 HZ3 LYS B 302 -9.894 -4.700 9.637 1.00 2.25 H new ATOM 1321 N LYS B 303 -2.949 -5.898 11.644 1.00 0.94 N ATOM 1322 CA LYS B 303 -2.030 -6.860 12.239 1.00 1.09 C ATOM 1323 C LYS B 303 -2.356 -7.025 13.723 1.00 1.16 C ATOM 1324 O LYS B 303 -2.415 -8.140 14.245 1.00 1.31 O ATOM 1325 CB LYS B 303 -0.589 -6.371 12.063 1.00 1.09 C ATOM 1326 CG LYS B 303 0.468 -7.394 12.427 1.00 1.32 C ATOM 1327 CD LYS B 303 1.788 -6.719 12.761 1.00 1.45 C ATOM 1328 CE LYS B 303 2.950 -7.696 12.724 1.00 1.71 C ATOM 1329 NZ LYS B 303 3.294 -8.103 11.338 1.00 1.76 N ATOM 0 H LYS B 303 -2.490 -5.095 11.214 1.00 0.94 H new ATOM 0 HA LYS B 303 -2.137 -7.825 11.743 1.00 1.09 H new ATOM 0 HB2 LYS B 303 -0.444 -6.071 11.025 1.00 1.09 H new ATOM 0 HB3 LYS B 303 -0.443 -5.481 12.676 1.00 1.09 H new ATOM 0 HG2 LYS B 303 0.131 -7.983 13.280 1.00 1.32 H new ATOM 0 HG3 LYS B 303 0.610 -8.087 11.597 1.00 1.32 H new ATOM 0 HD2 LYS B 303 1.971 -5.910 12.054 1.00 1.45 H new ATOM 0 HD3 LYS B 303 1.725 -6.268 13.751 1.00 1.45 H new ATOM 0 HE2 LYS B 303 3.821 -7.240 13.194 1.00 1.71 H new ATOM 0 HE3 LYS B 303 2.698 -8.580 13.309 1.00 1.71 H new ATOM 0 HZ1 LYS B 303 3.728 -9.048 11.351 1.00 1.76 H new ATOM 0 HZ2 LYS B 303 2.431 -8.127 10.759 1.00 1.76 H new ATOM 0 HZ3 LYS B 303 3.964 -7.420 10.932 1.00 1.76 H new ATOM 1343 N ASN B 304 -2.586 -5.897 14.385 1.00 1.06 N ATOM 1344 CA ASN B 304 -2.928 -5.885 15.800 1.00 1.14 C ATOM 1345 C ASN B 304 -4.316 -6.484 16.006 1.00 1.20 C ATOM 1346 O ASN B 304 -4.521 -7.309 16.895 1.00 1.34 O ATOM 1347 CB ASN B 304 -2.874 -4.455 16.348 1.00 1.05 C ATOM 1348 CG ASN B 304 -3.356 -4.356 17.786 1.00 1.19 C ATOM 1349 OD1 ASN B 304 -4.544 -4.162 18.042 1.00 1.58 O ATOM 1350 ND2 ASN B 304 -2.438 -4.476 18.730 1.00 1.62 N ATOM 0 H ASN B 304 -2.541 -4.972 13.958 1.00 1.06 H new ATOM 0 HA ASN B 304 -2.202 -6.489 16.344 1.00 1.14 H new ATOM 0 HB2 ASN B 304 -1.850 -4.086 16.287 1.00 1.05 H new ATOM 0 HB3 ASN B 304 -3.485 -3.807 15.720 1.00 1.05 H new ATOM 0 HD21 ASN B 304 -2.705 -4.408 19.712 1.00 1.62 H new ATOM 0 HD22 ASN B 304 -1.463 -4.636 18.476 1.00 1.62 H new ATOM 1357 N SER B 305 -5.263 -6.080 15.165 1.00 1.14 N ATOM 1358 CA SER B 305 -6.625 -6.586 15.246 1.00 1.25 C ATOM 1359 C SER B 305 -6.651 -8.095 15.010 1.00 1.42 C ATOM 1360 O SER B 305 -7.351 -8.826 15.709 1.00 1.57 O ATOM 1361 CB SER B 305 -7.519 -5.863 14.237 1.00 1.22 C ATOM 1362 OG SER B 305 -7.542 -4.468 14.492 1.00 1.68 O ATOM 0 H SER B 305 -5.110 -5.402 14.419 1.00 1.14 H new ATOM 0 HA SER B 305 -7.010 -6.393 16.247 1.00 1.25 H new ATOM 0 HB2 SER B 305 -7.156 -6.046 13.226 1.00 1.22 H new ATOM 0 HB3 SER B 305 -8.531 -6.263 14.289 1.00 1.22 H new ATOM 0 HG SER B 305 -6.681 -4.075 14.237 1.00 1.68 H new TER 1368 SER B 305 HETATM 1369 CA CA A1000 -1.071 -5.784 -10.145 1.00 0.75 CA HETATM 1370 CA CA A1001 6.131 3.764 -11.558 1.00 0.66 CA