USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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 143 ASNHD21 : A 143 ASN OD1 : A 2 CACA :(metal ligand) USER MOD NoAdj : A 143 ASNHD22 : A 143 ASN OD1 : A 2 CACA :(metal ligand) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.113 USER MOD Single : A 103 MET CE :methyl -173:sc= -3.86! (180deg=-4.08!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.04! C(o=-4!,f=-3!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -111:sc= -0.0953 (180deg=-0.379) USER MOD Single : A 120 MET CE :methyl 167:sc= -2.35 (180deg=-2.83!) USER MOD Single : A 122 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.8!) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 127 THR OG1 : rot -27:sc= 1.06 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 137 MET CE :methyl 155:sc= -1.51 (180deg=-3.39!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.22) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.887! USER MOD Single : A 157 MET CE :methyl 161:sc= -0.16 (180deg=-1.02) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 53.499 -22.939 3.633 1.00 7.24 N ATOM 2 CA LYS A 86 52.309 -23.703 3.161 1.00 7.10 C ATOM 3 C LYS A 86 51.021 -23.015 3.621 1.00 6.94 C ATOM 4 O LYS A 86 50.081 -22.866 2.865 1.00 7.49 O ATOM 5 CB LYS A 86 52.441 -25.081 3.810 1.00 7.61 C ATOM 6 CG LYS A 86 52.640 -26.143 2.726 1.00 8.01 C ATOM 7 CD LYS A 86 52.401 -27.532 3.321 1.00 8.72 C ATOM 8 CE LYS A 86 53.334 -27.744 4.515 1.00 9.14 C ATOM 9 NZ LYS A 86 52.862 -29.004 5.153 1.00 9.95 N ATOM 0 HA LYS A 86 52.264 -23.766 2.074 1.00 7.10 H new ATOM 0 HB2 LYS A 86 53.284 -25.089 4.501 1.00 7.61 H new ATOM 0 HB3 LYS A 86 51.549 -25.306 4.394 1.00 7.61 H new ATOM 0 HG2 LYS A 86 51.952 -25.967 1.899 1.00 8.01 H new ATOM 0 HG3 LYS A 86 53.650 -26.079 2.320 1.00 8.01 H new ATOM 0 HD2 LYS A 86 51.362 -27.630 3.636 1.00 8.72 H new ATOM 0 HD3 LYS A 86 52.579 -28.298 2.566 1.00 8.72 H new ATOM 0 HE2 LYS A 86 54.372 -27.829 4.194 1.00 9.14 H new ATOM 0 HE3 LYS A 86 53.282 -26.906 5.210 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 53.454 -29.217 5.981 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 51.873 -28.891 5.454 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 52.929 -29.785 4.470 1.00 9.95 H new ATOM 25 N ASP A 87 50.969 -22.596 4.855 1.00 6.50 N ATOM 26 CA ASP A 87 49.741 -21.919 5.365 1.00 6.70 C ATOM 27 C ASP A 87 49.776 -20.427 5.023 1.00 6.03 C ATOM 28 O ASP A 87 48.813 -19.869 4.535 1.00 6.49 O ATOM 29 CB ASP A 87 49.779 -22.121 6.880 1.00 7.25 C ATOM 30 CG ASP A 87 49.048 -23.414 7.239 1.00 7.77 C ATOM 31 OD1 ASP A 87 47.845 -23.358 7.433 1.00 8.12 O ATOM 32 OD2 ASP A 87 49.704 -24.440 7.316 1.00 8.06 O ATOM 0 H ASP A 87 51.724 -22.693 5.534 1.00 6.50 H new ATOM 0 HA ASP A 87 48.832 -22.325 4.921 1.00 6.70 H new ATOM 0 HB2 ASP A 87 50.812 -22.166 7.226 1.00 7.25 H new ATOM 0 HB3 ASP A 87 49.311 -21.274 7.383 1.00 7.25 H new ATOM 37 N ASP A 88 50.879 -19.776 5.277 1.00 5.23 N ATOM 38 CA ASP A 88 50.973 -18.320 4.968 1.00 5.00 C ATOM 39 C ASP A 88 51.630 -18.110 3.601 1.00 4.51 C ATOM 40 O ASP A 88 51.099 -17.434 2.743 1.00 4.82 O ATOM 41 CB ASP A 88 51.847 -17.737 6.079 1.00 5.14 C ATOM 42 CG ASP A 88 51.050 -17.692 7.384 1.00 5.52 C ATOM 43 OD1 ASP A 88 50.097 -16.934 7.446 1.00 5.85 O ATOM 44 OD2 ASP A 88 51.407 -18.417 8.298 1.00 5.82 O ATOM 0 H ASP A 88 51.718 -20.189 5.685 1.00 5.23 H new ATOM 0 HA ASP A 88 49.994 -17.842 4.925 1.00 5.00 H new ATOM 0 HB2 ASP A 88 52.743 -18.344 6.208 1.00 5.14 H new ATOM 0 HB3 ASP A 88 52.178 -16.735 5.808 1.00 5.14 H new ATOM 49 N SER A 89 52.782 -18.685 3.392 1.00 4.24 N ATOM 50 CA SER A 89 53.473 -18.519 2.082 1.00 4.26 C ATOM 51 C SER A 89 53.817 -17.046 1.847 1.00 3.50 C ATOM 52 O SER A 89 53.131 -16.345 1.131 1.00 3.81 O ATOM 53 CB SER A 89 52.468 -19.008 1.040 1.00 5.08 C ATOM 54 OG SER A 89 53.067 -20.030 0.254 1.00 5.76 O ATOM 0 H SER A 89 53.275 -19.263 4.072 1.00 4.24 H new ATOM 0 HA SER A 89 54.410 -19.074 2.036 1.00 4.26 H new ATOM 0 HB2 SER A 89 51.573 -19.389 1.532 1.00 5.08 H new ATOM 0 HB3 SER A 89 52.154 -18.180 0.404 1.00 5.08 H new ATOM 0 HG SER A 89 52.425 -20.347 -0.415 1.00 5.76 H new ATOM 60 N LYS A 90 54.875 -16.574 2.447 1.00 3.10 N ATOM 61 CA LYS A 90 55.264 -15.147 2.258 1.00 3.08 C ATOM 62 C LYS A 90 56.270 -15.024 1.111 1.00 2.72 C ATOM 63 O LYS A 90 56.117 -14.208 0.224 1.00 3.21 O ATOM 64 CB LYS A 90 55.908 -14.736 3.582 1.00 3.94 C ATOM 65 CG LYS A 90 55.847 -13.214 3.729 1.00 4.74 C ATOM 66 CD LYS A 90 54.814 -12.845 4.796 1.00 5.61 C ATOM 67 CE LYS A 90 53.406 -12.974 4.211 1.00 6.53 C ATOM 68 NZ LYS A 90 52.515 -13.150 5.390 1.00 7.32 N ATOM 0 H LYS A 90 55.487 -17.114 3.059 1.00 3.10 H new ATOM 0 HA LYS A 90 54.413 -14.515 2.005 1.00 3.08 H new ATOM 0 HB2 LYS A 90 55.390 -15.213 4.414 1.00 3.94 H new ATOM 0 HB3 LYS A 90 56.944 -15.074 3.615 1.00 3.94 H new ATOM 0 HG2 LYS A 90 56.827 -12.825 4.006 1.00 4.74 H new ATOM 0 HG3 LYS A 90 55.581 -12.756 2.776 1.00 4.74 H new ATOM 0 HD2 LYS A 90 54.921 -13.499 5.662 1.00 5.61 H new ATOM 0 HD3 LYS A 90 54.983 -11.826 5.143 1.00 5.61 H new ATOM 0 HE2 LYS A 90 53.133 -12.087 3.639 1.00 6.53 H new ATOM 0 HE3 LYS A 90 53.336 -13.825 3.533 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 51.530 -13.246 5.070 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 52.794 -14.005 5.911 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 52.597 -12.322 6.014 1.00 7.32 H new ATOM 82 N GLY A 91 57.296 -15.830 1.122 1.00 2.57 N ATOM 83 CA GLY A 91 58.310 -15.759 0.033 1.00 2.96 C ATOM 84 C GLY A 91 58.899 -14.349 -0.030 1.00 2.68 C ATOM 85 O GLY A 91 58.524 -13.545 -0.860 1.00 2.94 O ATOM 0 H GLY A 91 57.476 -16.534 1.838 1.00 2.57 H new ATOM 0 HA2 GLY A 91 59.102 -16.487 0.212 1.00 2.96 H new ATOM 0 HA3 GLY A 91 57.851 -16.015 -0.922 1.00 2.96 H new ATOM 89 N LYS A 92 59.822 -14.043 0.840 1.00 2.54 N ATOM 90 CA LYS A 92 60.436 -12.684 0.827 1.00 2.34 C ATOM 91 C LYS A 92 61.830 -12.730 1.457 1.00 2.22 C ATOM 92 O LYS A 92 61.977 -12.829 2.659 1.00 2.57 O ATOM 93 CB LYS A 92 59.499 -11.812 1.662 1.00 2.51 C ATOM 94 CG LYS A 92 59.729 -10.341 1.312 1.00 2.46 C ATOM 95 CD LYS A 92 58.456 -9.541 1.596 1.00 2.69 C ATOM 96 CE LYS A 92 58.831 -8.175 2.174 1.00 2.82 C ATOM 97 NZ LYS A 92 57.976 -8.022 3.384 1.00 3.39 N ATOM 0 H LYS A 92 60.177 -14.674 1.558 1.00 2.54 H new ATOM 0 HA LYS A 92 60.555 -12.296 -0.185 1.00 2.34 H new ATOM 0 HB2 LYS A 92 58.462 -12.085 1.469 1.00 2.51 H new ATOM 0 HB3 LYS A 92 59.680 -11.977 2.724 1.00 2.51 H new ATOM 0 HG2 LYS A 92 60.559 -9.943 1.896 1.00 2.46 H new ATOM 0 HG3 LYS A 92 60.004 -10.245 0.262 1.00 2.46 H new ATOM 0 HD2 LYS A 92 57.881 -9.414 0.679 1.00 2.69 H new ATOM 0 HD3 LYS A 92 57.822 -10.083 2.297 1.00 2.69 H new ATOM 0 HE2 LYS A 92 59.890 -8.132 2.430 1.00 2.82 H new ATOM 0 HE3 LYS A 92 58.644 -7.377 1.455 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 58.176 -7.107 3.837 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 56.974 -8.060 3.108 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 58.181 -8.791 4.053 1.00 3.39 H new ATOM 111 N THR A 93 62.854 -12.658 0.653 1.00 1.93 N ATOM 112 CA THR A 93 64.239 -12.698 1.203 1.00 1.88 C ATOM 113 C THR A 93 65.111 -11.651 0.506 1.00 1.62 C ATOM 114 O THR A 93 64.620 -10.691 -0.053 1.00 1.47 O ATOM 115 CB THR A 93 64.746 -14.109 0.900 1.00 1.99 C ATOM 116 OG1 THR A 93 64.564 -14.387 -0.482 1.00 2.05 O ATOM 117 CG2 THR A 93 63.966 -15.124 1.735 1.00 2.53 C ATOM 0 H THR A 93 62.792 -12.573 -0.362 1.00 1.93 H new ATOM 0 HA THR A 93 64.268 -12.477 2.270 1.00 1.88 H new ATOM 0 HB THR A 93 65.805 -14.178 1.149 1.00 1.99 H new ATOM 0 HG1 THR A 93 64.890 -15.290 -0.680 1.00 2.05 H new ATOM 0 HG21 THR A 93 64.328 -16.129 1.518 1.00 2.53 H new ATOM 0 HG22 THR A 93 64.106 -14.908 2.794 1.00 2.53 H new ATOM 0 HG23 THR A 93 62.906 -15.060 1.489 1.00 2.53 H new ATOM 125 N GLU A 94 66.404 -11.830 0.532 1.00 1.64 N ATOM 126 CA GLU A 94 67.304 -10.845 -0.130 1.00 1.49 C ATOM 127 C GLU A 94 67.066 -10.841 -1.643 1.00 1.41 C ATOM 128 O GLU A 94 67.394 -9.894 -2.331 1.00 1.36 O ATOM 129 CB GLU A 94 68.719 -11.329 0.188 1.00 1.64 C ATOM 130 CG GLU A 94 69.738 -10.338 -0.379 1.00 1.85 C ATOM 131 CD GLU A 94 70.676 -9.874 0.737 1.00 2.27 C ATOM 132 OE1 GLU A 94 70.219 -9.147 1.603 1.00 2.65 O ATOM 133 OE2 GLU A 94 71.835 -10.254 0.706 1.00 2.83 O ATOM 0 H GLU A 94 66.875 -12.615 0.983 1.00 1.64 H new ATOM 0 HA GLU A 94 67.131 -9.827 0.220 1.00 1.49 H new ATOM 0 HB2 GLU A 94 68.849 -11.423 1.266 1.00 1.64 H new ATOM 0 HB3 GLU A 94 68.881 -12.318 -0.240 1.00 1.64 H new ATOM 0 HG2 GLU A 94 70.311 -10.807 -1.178 1.00 1.85 H new ATOM 0 HG3 GLU A 94 69.224 -9.482 -0.816 1.00 1.85 H new ATOM 140 N GLU A 95 66.497 -11.893 -2.168 1.00 1.47 N ATOM 141 CA GLU A 95 66.240 -11.948 -3.637 1.00 1.49 C ATOM 142 C GLU A 95 64.980 -11.151 -3.986 1.00 1.39 C ATOM 143 O GLU A 95 64.949 -10.415 -4.952 1.00 1.40 O ATOM 144 CB GLU A 95 66.041 -13.433 -3.948 1.00 1.68 C ATOM 145 CG GLU A 95 67.383 -14.053 -4.339 1.00 2.03 C ATOM 146 CD GLU A 95 67.249 -15.577 -4.387 1.00 2.24 C ATOM 147 OE1 GLU A 95 66.625 -16.126 -3.492 1.00 2.56 O ATOM 148 OE2 GLU A 95 67.773 -16.169 -5.315 1.00 2.72 O ATOM 0 H GLU A 95 66.199 -12.716 -1.644 1.00 1.47 H new ATOM 0 HA GLU A 95 67.057 -11.516 -4.216 1.00 1.49 H new ATOM 0 HB2 GLU A 95 65.630 -13.946 -3.079 1.00 1.68 H new ATOM 0 HB3 GLU A 95 65.322 -13.553 -4.758 1.00 1.68 H new ATOM 0 HG2 GLU A 95 67.701 -13.675 -5.311 1.00 2.03 H new ATOM 0 HG3 GLU A 95 68.150 -13.768 -3.620 1.00 2.03 H new ATOM 155 N GLU A 96 63.941 -11.289 -3.209 1.00 1.38 N ATOM 156 CA GLU A 96 62.688 -10.535 -3.503 1.00 1.34 C ATOM 157 C GLU A 96 62.779 -9.116 -2.937 1.00 1.16 C ATOM 158 O GLU A 96 61.947 -8.274 -3.212 1.00 1.07 O ATOM 159 CB GLU A 96 61.577 -11.321 -2.805 1.00 1.51 C ATOM 160 CG GLU A 96 60.676 -11.974 -3.855 1.00 2.07 C ATOM 161 CD GLU A 96 59.868 -10.894 -4.576 1.00 2.19 C ATOM 162 OE1 GLU A 96 60.416 -9.830 -4.811 1.00 2.60 O ATOM 163 OE2 GLU A 96 58.716 -11.151 -4.883 1.00 2.61 O ATOM 0 H GLU A 96 63.905 -11.889 -2.385 1.00 1.38 H new ATOM 0 HA GLU A 96 62.507 -10.439 -4.574 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.009 -12.083 -2.156 1.00 1.51 H new ATOM 0 HB3 GLU A 96 60.991 -10.657 -2.170 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.279 -12.531 -4.572 1.00 2.07 H new ATOM 0 HG3 GLU A 96 60.005 -12.689 -3.380 1.00 2.07 H new ATOM 170 N LEU A 97 63.783 -8.844 -2.150 1.00 1.14 N ATOM 171 CA LEU A 97 63.925 -7.479 -1.567 1.00 0.99 C ATOM 172 C LEU A 97 64.535 -6.522 -2.596 1.00 0.82 C ATOM 173 O LEU A 97 64.096 -5.401 -2.749 1.00 0.70 O ATOM 174 CB LEU A 97 64.865 -7.651 -0.373 1.00 1.03 C ATOM 175 CG LEU A 97 64.050 -7.997 0.874 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.997 -8.310 2.035 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.164 -6.806 1.248 1.00 1.71 C ATOM 0 H LEU A 97 64.511 -9.507 -1.885 1.00 1.14 H new ATOM 0 HA LEU A 97 62.964 -7.057 -1.272 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.589 -8.440 -0.577 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.431 -6.734 -0.207 1.00 1.03 H new ATOM 0 HG LEU A 97 63.427 -8.867 0.670 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.415 -8.556 2.923 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.630 -9.157 1.770 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.621 -7.440 2.240 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.582 -7.050 2.137 1.00 1.71 H new ATOM 0 HD22 LEU A 97 63.790 -5.937 1.452 1.00 1.71 H new ATOM 0 HD23 LEU A 97 62.489 -6.582 0.422 1.00 1.71 H new ATOM 189 N SER A 98 65.544 -6.957 -3.301 1.00 0.87 N ATOM 190 CA SER A 98 66.180 -6.068 -4.317 1.00 0.78 C ATOM 191 C SER A 98 65.243 -5.869 -5.512 1.00 0.75 C ATOM 192 O SER A 98 65.144 -4.789 -6.060 1.00 0.74 O ATOM 193 CB SER A 98 67.449 -6.800 -4.748 1.00 0.93 C ATOM 194 OG SER A 98 67.187 -8.196 -4.820 1.00 1.41 O ATOM 0 H SER A 98 65.955 -7.887 -3.218 1.00 0.87 H new ATOM 0 HA SER A 98 66.397 -5.078 -3.917 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.784 -6.431 -5.718 1.00 0.93 H new ATOM 0 HB3 SER A 98 68.253 -6.606 -4.038 1.00 0.93 H new ATOM 0 HG SER A 98 68.000 -8.667 -5.098 1.00 1.41 H new ATOM 200 N ASP A 99 64.554 -6.899 -5.919 1.00 0.80 N ATOM 201 CA ASP A 99 63.625 -6.765 -7.079 1.00 0.82 C ATOM 202 C ASP A 99 62.458 -5.841 -6.717 1.00 0.77 C ATOM 203 O ASP A 99 61.889 -5.186 -7.567 1.00 0.77 O ATOM 204 CB ASP A 99 63.122 -8.184 -7.352 1.00 0.93 C ATOM 205 CG ASP A 99 63.560 -8.622 -8.750 1.00 1.45 C ATOM 206 OD1 ASP A 99 63.973 -7.766 -9.516 1.00 1.92 O ATOM 207 OD2 ASP A 99 63.477 -9.806 -9.033 1.00 2.18 O ATOM 0 H ASP A 99 64.593 -7.828 -5.499 1.00 0.80 H new ATOM 0 HA ASP A 99 64.114 -6.332 -7.952 1.00 0.82 H new ATOM 0 HB2 ASP A 99 63.517 -8.871 -6.604 1.00 0.93 H new ATOM 0 HB3 ASP A 99 62.035 -8.217 -7.273 1.00 0.93 H new ATOM 212 N LEU A 100 62.097 -5.784 -5.464 1.00 0.77 N ATOM 213 CA LEU A 100 60.966 -4.901 -5.055 1.00 0.77 C ATOM 214 C LEU A 100 61.414 -3.435 -5.048 1.00 0.64 C ATOM 215 O LEU A 100 60.711 -2.560 -5.511 1.00 0.64 O ATOM 216 CB LEU A 100 60.598 -5.355 -3.642 1.00 0.85 C ATOM 217 CG LEU A 100 59.633 -6.540 -3.719 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.460 -7.148 -2.327 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.275 -6.059 -4.237 1.00 1.57 C ATOM 0 H LEU A 100 62.535 -6.309 -4.707 1.00 0.77 H new ATOM 0 HA LEU A 100 60.120 -4.972 -5.739 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.497 -5.640 -3.095 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.138 -4.533 -3.093 1.00 0.85 H new ATOM 0 HG LEU A 100 60.036 -7.293 -4.397 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.773 -7.992 -2.382 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.426 -7.490 -1.957 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.057 -6.396 -1.649 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.587 -6.903 -4.292 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.873 -5.306 -3.559 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.397 -5.625 -5.229 1.00 1.57 H new ATOM 231 N PHE A 101 62.579 -3.164 -4.525 1.00 0.60 N ATOM 232 CA PHE A 101 63.071 -1.755 -4.486 1.00 0.53 C ATOM 233 C PHE A 101 62.959 -1.118 -5.874 1.00 0.49 C ATOM 234 O PHE A 101 62.560 0.022 -6.014 1.00 0.61 O ATOM 235 CB PHE A 101 64.535 -1.862 -4.058 1.00 0.57 C ATOM 236 CG PHE A 101 65.208 -0.519 -4.211 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.521 -0.032 -5.486 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.523 0.239 -3.076 1.00 1.31 C ATOM 239 CE1 PHE A 101 66.148 1.212 -5.627 1.00 1.23 C ATOM 240 CE2 PHE A 101 66.149 1.484 -3.217 1.00 1.30 C ATOM 241 CZ PHE A 101 66.462 1.970 -4.493 1.00 0.40 C ATOM 0 H PHE A 101 63.212 -3.856 -4.123 1.00 0.60 H new ATOM 0 HA PHE A 101 62.492 -1.131 -3.805 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.598 -2.195 -3.022 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.048 -2.608 -4.665 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.279 -0.616 -6.361 1.00 1.23 H new ATOM 0 HD2 PHE A 101 65.283 -0.137 -2.092 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.389 1.587 -6.611 1.00 1.23 H new ATOM 0 HE2 PHE A 101 66.390 2.069 -2.342 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.946 2.930 -4.602 1.00 0.40 H new ATOM 251 N ARG A 102 63.308 -1.843 -6.901 1.00 0.53 N ATOM 252 CA ARG A 102 63.221 -1.278 -8.277 1.00 0.70 C ATOM 253 C ARG A 102 61.786 -1.387 -8.804 1.00 0.80 C ATOM 254 O ARG A 102 61.323 -0.547 -9.549 1.00 1.09 O ATOM 255 CB ARG A 102 64.166 -2.136 -9.119 1.00 0.87 C ATOM 256 CG ARG A 102 65.538 -1.464 -9.193 1.00 1.28 C ATOM 257 CD ARG A 102 66.544 -2.270 -8.368 1.00 1.83 C ATOM 258 NE ARG A 102 67.193 -3.190 -9.343 1.00 2.26 N ATOM 259 CZ ARG A 102 67.856 -4.232 -8.918 1.00 2.89 C ATOM 260 NH1 ARG A 102 68.429 -4.207 -7.745 1.00 3.22 N ATOM 261 NH2 ARG A 102 67.942 -5.300 -9.664 1.00 3.68 N ATOM 0 H ARG A 102 63.650 -2.803 -6.847 1.00 0.53 H new ATOM 0 HA ARG A 102 63.492 -0.223 -8.307 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.259 -3.130 -8.681 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.759 -2.267 -10.122 1.00 0.87 H new ATOM 0 HG2 ARG A 102 65.869 -1.401 -10.230 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.476 -0.443 -8.815 1.00 1.28 H new ATOM 0 HD2 ARG A 102 67.277 -1.618 -7.893 1.00 1.83 H new ATOM 0 HD3 ARG A 102 66.047 -2.825 -7.572 1.00 1.83 H new ATOM 0 HE ARG A 102 67.120 -3.006 -10.344 1.00 2.26 H new ATOM 0 HH11 ARG A 102 68.359 -3.374 -7.161 1.00 3.22 H new ATOM 0 HH12 ARG A 102 68.947 -5.021 -7.413 1.00 3.22 H new ATOM 0 HH21 ARG A 102 67.491 -5.321 -10.579 1.00 3.68 H new ATOM 0 HH22 ARG A 102 68.460 -6.114 -9.332 1.00 3.68 H new ATOM 275 N MET A 103 61.083 -2.419 -8.427 1.00 0.68 N ATOM 276 CA MET A 103 59.681 -2.580 -8.911 1.00 0.81 C ATOM 277 C MET A 103 58.753 -1.586 -8.207 1.00 0.79 C ATOM 278 O MET A 103 57.600 -1.443 -8.562 1.00 0.90 O ATOM 279 CB MET A 103 59.299 -4.016 -8.550 1.00 0.91 C ATOM 280 CG MET A 103 57.908 -4.327 -9.105 1.00 1.35 C ATOM 281 SD MET A 103 56.889 -5.066 -7.804 1.00 1.92 S ATOM 282 CE MET A 103 57.980 -6.460 -7.431 1.00 1.63 C ATOM 0 H MET A 103 61.417 -3.157 -7.806 1.00 0.68 H new ATOM 0 HA MET A 103 59.593 -2.389 -9.981 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.030 -4.712 -8.960 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.308 -4.145 -7.468 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.440 -3.414 -9.474 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.987 -5.009 -9.951 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.485 -7.132 -6.729 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.208 -6.999 -8.350 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.905 -6.090 -6.988 1.00 1.63 H new ATOM 292 N PHE A 104 59.244 -0.900 -7.212 1.00 0.71 N ATOM 293 CA PHE A 104 58.381 0.080 -6.491 1.00 0.75 C ATOM 294 C PHE A 104 58.875 1.508 -6.738 1.00 0.68 C ATOM 295 O PHE A 104 58.176 2.467 -6.483 1.00 0.80 O ATOM 296 CB PHE A 104 58.514 -0.285 -5.011 1.00 0.76 C ATOM 297 CG PHE A 104 57.289 -1.050 -4.566 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.017 -0.476 -4.694 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.425 -2.334 -4.023 1.00 1.71 C ATOM 300 CE1 PHE A 104 54.884 -1.187 -4.281 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.292 -3.045 -3.611 1.00 2.03 C ATOM 302 CZ PHE A 104 55.021 -2.470 -3.740 1.00 1.76 C ATOM 0 H PHE A 104 60.201 -0.974 -6.867 1.00 0.71 H new ATOM 0 HA PHE A 104 57.345 0.041 -6.829 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.409 -0.887 -4.854 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.629 0.618 -4.412 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.911 0.515 -5.111 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.405 -2.776 -3.922 1.00 1.71 H new ATOM 0 HE1 PHE A 104 53.904 -0.745 -4.380 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.397 -4.036 -3.194 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.146 -3.018 -3.422 1.00 1.76 H new ATOM 312 N ASP A 105 60.073 1.656 -7.234 1.00 0.58 N ATOM 313 CA ASP A 105 60.606 3.025 -7.497 1.00 0.52 C ATOM 314 C ASP A 105 59.718 3.752 -8.509 1.00 0.52 C ATOM 315 O ASP A 105 59.962 3.716 -9.700 1.00 0.60 O ATOM 316 CB ASP A 105 62.006 2.805 -8.071 1.00 0.60 C ATOM 317 CG ASP A 105 62.809 4.106 -7.983 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.294 5.064 -7.429 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.929 4.122 -8.472 1.00 0.54 O ATOM 0 H ASP A 105 60.705 0.891 -7.468 1.00 0.58 H new ATOM 0 HA ASP A 105 60.629 3.638 -6.596 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.515 2.014 -7.521 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.937 2.478 -9.109 1.00 0.60 H new ATOM 324 N LYS A 106 58.692 4.417 -8.049 1.00 0.51 N ATOM 325 CA LYS A 106 57.799 5.146 -8.991 1.00 0.60 C ATOM 326 C LYS A 106 58.605 6.203 -9.747 1.00 0.59 C ATOM 327 O LYS A 106 58.366 6.469 -10.908 1.00 0.70 O ATOM 328 CB LYS A 106 56.738 5.807 -8.111 1.00 0.63 C ATOM 329 CG LYS A 106 55.984 6.861 -8.926 1.00 1.39 C ATOM 330 CD LYS A 106 54.505 6.846 -8.537 1.00 1.58 C ATOM 331 CE LYS A 106 53.977 8.282 -8.487 1.00 2.00 C ATOM 332 NZ LYS A 106 52.699 8.250 -9.250 1.00 2.79 N ATOM 0 H LYS A 106 58.435 4.486 -7.064 1.00 0.51 H new ATOM 0 HA LYS A 106 57.349 4.487 -9.733 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.043 5.056 -7.735 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.207 6.270 -7.243 1.00 0.63 H new ATOM 0 HG2 LYS A 106 56.409 7.848 -8.744 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.093 6.658 -9.991 1.00 1.39 H new ATOM 0 HD2 LYS A 106 53.934 6.262 -9.259 1.00 1.58 H new ATOM 0 HD3 LYS A 106 54.378 6.366 -7.567 1.00 1.58 H new ATOM 0 HE2 LYS A 106 53.815 8.607 -7.459 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.686 8.979 -8.934 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.277 9.200 -9.260 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.885 7.944 -10.226 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 52.041 7.584 -8.798 1.00 2.79 H new ATOM 346 N ASN A 107 59.563 6.805 -9.096 1.00 0.53 N ATOM 347 CA ASN A 107 60.387 7.840 -9.782 1.00 0.59 C ATOM 348 C ASN A 107 61.402 7.168 -10.713 1.00 0.60 C ATOM 349 O ASN A 107 61.826 7.735 -11.701 1.00 0.71 O ATOM 350 CB ASN A 107 61.098 8.585 -8.654 1.00 0.62 C ATOM 351 CG ASN A 107 62.147 9.531 -9.240 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.142 9.820 -8.607 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.965 10.030 -10.432 1.00 1.67 N ATOM 0 H ASN A 107 59.810 6.626 -8.123 1.00 0.53 H new ATOM 0 HA ASN A 107 59.789 8.512 -10.398 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.374 9.149 -8.065 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.573 7.874 -7.979 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.658 10.662 -10.831 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.129 9.788 -10.964 1.00 1.67 H new ATOM 360 N ALA A 108 61.787 5.959 -10.406 1.00 0.56 N ATOM 361 CA ALA A 108 62.768 5.241 -11.271 1.00 0.62 C ATOM 362 C ALA A 108 64.047 6.068 -11.435 1.00 0.64 C ATOM 363 O ALA A 108 64.366 6.527 -12.515 1.00 0.78 O ATOM 364 CB ALA A 108 62.063 5.073 -12.616 1.00 0.72 C ATOM 0 H ALA A 108 61.464 5.436 -9.592 1.00 0.56 H new ATOM 0 HA ALA A 108 63.066 4.284 -10.843 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.722 4.551 -13.310 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.150 4.494 -12.478 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.813 6.054 -13.021 1.00 0.72 H new ATOM 370 N ASP A 109 64.784 6.258 -10.375 1.00 0.57 N ATOM 371 CA ASP A 109 66.043 7.052 -10.474 1.00 0.63 C ATOM 372 C ASP A 109 67.167 6.357 -9.698 1.00 0.63 C ATOM 373 O ASP A 109 68.263 6.870 -9.584 1.00 0.76 O ATOM 374 CB ASP A 109 65.707 8.410 -9.849 1.00 0.62 C ATOM 375 CG ASP A 109 65.736 8.302 -8.322 1.00 0.70 C ATOM 376 OD1 ASP A 109 66.824 8.216 -7.776 1.00 1.20 O ATOM 377 OD2 ASP A 109 64.673 8.304 -7.725 1.00 0.75 O ATOM 0 H ASP A 109 64.570 5.898 -9.445 1.00 0.57 H new ATOM 0 HA ASP A 109 66.389 7.156 -11.502 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.423 9.161 -10.183 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.722 8.739 -10.180 1.00 0.62 H new ATOM 382 N GLY A 110 66.902 5.199 -9.158 1.00 0.58 N ATOM 383 CA GLY A 110 67.952 4.479 -8.385 1.00 0.62 C ATOM 384 C GLY A 110 67.692 4.663 -6.889 1.00 0.54 C ATOM 385 O GLY A 110 68.197 3.926 -6.064 1.00 0.57 O ATOM 0 H GLY A 110 66.003 4.721 -9.219 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.945 3.419 -8.640 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.939 4.863 -8.645 1.00 0.62 H new ATOM 389 N TYR A 111 66.902 5.639 -6.535 1.00 0.50 N ATOM 390 CA TYR A 111 66.597 5.878 -5.094 1.00 0.48 C ATOM 391 C TYR A 111 65.115 6.222 -4.925 1.00 0.42 C ATOM 392 O TYR A 111 64.465 6.663 -5.850 1.00 0.52 O ATOM 393 CB TYR A 111 67.465 7.071 -4.693 1.00 0.52 C ATOM 394 CG TYR A 111 68.904 6.807 -5.065 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.753 6.160 -4.162 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.390 7.214 -6.314 1.00 1.36 C ATOM 397 CE1 TYR A 111 71.088 5.918 -4.504 1.00 1.46 C ATOM 398 CE2 TYR A 111 70.725 6.972 -6.658 1.00 1.40 C ATOM 399 CZ TYR A 111 71.574 6.324 -5.753 1.00 0.83 C ATOM 400 OH TYR A 111 72.891 6.087 -6.091 1.00 0.97 O ATOM 0 H TYR A 111 66.452 6.285 -7.184 1.00 0.50 H new ATOM 0 HA TYR A 111 66.800 5.001 -4.479 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.111 7.973 -5.192 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.384 7.247 -3.620 1.00 0.52 H new ATOM 0 HD1 TYR A 111 69.378 5.847 -3.199 1.00 1.38 H new ATOM 0 HD2 TYR A 111 68.735 7.714 -7.012 1.00 1.36 H new ATOM 0 HE1 TYR A 111 71.743 5.419 -3.805 1.00 1.46 H new ATOM 0 HE2 TYR A 111 71.100 7.285 -7.621 1.00 1.40 H new ATOM 0 HH TYR A 111 73.064 6.431 -6.992 1.00 0.97 H new ATOM 410 N ILE A 112 64.576 6.026 -3.753 1.00 0.36 N ATOM 411 CA ILE A 112 63.135 6.347 -3.538 1.00 0.32 C ATOM 412 C ILE A 112 62.966 7.336 -2.388 1.00 0.35 C ATOM 413 O ILE A 112 63.653 7.269 -1.389 1.00 0.43 O ATOM 414 CB ILE A 112 62.481 5.023 -3.195 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.888 4.008 -4.269 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.958 5.221 -3.169 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.765 3.008 -4.518 1.00 0.46 C ATOM 0 H ILE A 112 65.068 5.659 -2.938 1.00 0.36 H new ATOM 0 HA ILE A 112 62.689 6.811 -4.418 1.00 0.32 H new ATOM 0 HB ILE A 112 62.797 4.658 -2.218 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.130 4.529 -5.195 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.789 3.480 -3.955 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.472 4.277 -2.923 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.701 5.967 -2.417 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.618 5.560 -4.148 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.074 2.297 -5.284 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.542 2.473 -3.595 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.874 3.538 -4.854 1.00 0.46 H new ATOM 429 N ASP A 113 62.047 8.246 -2.517 1.00 0.36 N ATOM 430 CA ASP A 113 61.822 9.237 -1.424 1.00 0.44 C ATOM 431 C ASP A 113 60.515 8.917 -0.694 1.00 0.44 C ATOM 432 O ASP A 113 59.832 7.970 -1.021 1.00 0.60 O ATOM 433 CB ASP A 113 61.742 10.602 -2.113 1.00 0.56 C ATOM 434 CG ASP A 113 60.879 10.502 -3.371 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.954 9.708 -3.369 1.00 1.58 O ATOM 436 OD2 ASP A 113 61.157 11.220 -4.317 1.00 1.53 O ATOM 0 H ASP A 113 61.440 8.350 -3.330 1.00 0.36 H new ATOM 0 HA ASP A 113 62.618 9.218 -0.680 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.320 11.339 -1.430 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.743 10.946 -2.375 1.00 0.56 H new ATOM 441 N LEU A 114 60.164 9.693 0.295 1.00 0.47 N ATOM 442 CA LEU A 114 58.901 9.419 1.044 1.00 0.47 C ATOM 443 C LEU A 114 57.694 9.471 0.100 1.00 0.50 C ATOM 444 O LEU A 114 56.766 8.697 0.221 1.00 0.52 O ATOM 445 CB LEU A 114 58.809 10.532 2.087 1.00 0.57 C ATOM 446 CG LEU A 114 58.189 9.978 3.371 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.364 10.992 4.502 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.697 9.721 3.146 1.00 1.57 C ATOM 0 H LEU A 114 60.694 10.503 0.617 1.00 0.47 H new ATOM 0 HA LEU A 114 58.903 8.429 1.499 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.801 10.934 2.294 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.205 11.355 1.704 1.00 0.57 H new ATOM 0 HG LEU A 114 58.684 9.045 3.639 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.922 10.597 5.417 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.426 11.178 4.663 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.869 11.925 4.234 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.254 9.326 4.060 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.203 10.655 2.877 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.570 8.999 2.340 1.00 1.57 H new ATOM 460 N GLU A 115 57.699 10.380 -0.836 1.00 0.56 N ATOM 461 CA GLU A 115 56.551 10.486 -1.783 1.00 0.64 C ATOM 462 C GLU A 115 56.395 9.192 -2.587 1.00 0.56 C ATOM 463 O GLU A 115 55.314 8.845 -3.019 1.00 0.61 O ATOM 464 CB GLU A 115 56.911 11.648 -2.708 1.00 0.77 C ATOM 465 CG GLU A 115 55.634 12.366 -3.150 1.00 1.54 C ATOM 466 CD GLU A 115 55.865 13.025 -4.511 1.00 2.04 C ATOM 467 OE1 GLU A 115 57.016 13.214 -4.868 1.00 2.45 O ATOM 468 OE2 GLU A 115 54.887 13.332 -5.173 1.00 2.67 O ATOM 0 H GLU A 115 58.449 11.055 -0.987 1.00 0.56 H new ATOM 0 HA GLU A 115 55.606 10.649 -1.265 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.572 12.345 -2.193 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.453 11.279 -3.579 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.808 11.657 -3.213 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.353 13.118 -2.413 1.00 1.54 H new ATOM 475 N GLU A 116 57.468 8.481 -2.802 1.00 0.49 N ATOM 476 CA GLU A 116 57.377 7.214 -3.587 1.00 0.45 C ATOM 477 C GLU A 116 57.016 6.038 -2.676 1.00 0.43 C ATOM 478 O GLU A 116 56.227 5.185 -3.032 1.00 0.51 O ATOM 479 CB GLU A 116 58.770 7.018 -4.184 1.00 0.42 C ATOM 480 CG GLU A 116 59.007 8.053 -5.286 1.00 0.94 C ATOM 481 CD GLU A 116 60.487 8.056 -5.671 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.052 6.980 -5.774 1.00 1.43 O ATOM 483 OE2 GLU A 116 61.031 9.132 -5.855 1.00 1.28 O ATOM 0 H GLU A 116 58.402 8.721 -2.470 1.00 0.49 H new ATOM 0 HA GLU A 116 56.604 7.264 -4.354 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.527 7.120 -3.407 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.864 6.011 -4.591 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.394 7.820 -6.157 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.708 9.043 -4.941 1.00 0.94 H new ATOM 490 N LEU A 117 57.591 5.981 -1.505 1.00 0.37 N ATOM 491 CA LEU A 117 57.284 4.856 -0.578 1.00 0.42 C ATOM 492 C LEU A 117 55.804 4.878 -0.189 1.00 0.50 C ATOM 493 O LEU A 117 55.165 3.850 -0.089 1.00 0.58 O ATOM 494 CB LEU A 117 58.170 5.097 0.645 1.00 0.43 C ATOM 495 CG LEU A 117 58.678 3.756 1.177 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.090 3.498 0.648 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.706 3.793 2.708 1.00 1.53 C ATOM 0 H LEU A 117 58.260 6.665 -1.151 1.00 0.37 H new ATOM 0 HA LEU A 117 57.475 3.883 -1.031 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.011 5.737 0.378 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.606 5.618 1.419 1.00 0.43 H new ATOM 0 HG LEU A 117 58.014 2.958 0.844 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.452 2.542 1.027 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.071 3.472 -0.442 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.755 4.295 0.981 1.00 0.90 H new ATOM 0 HD21 LEU A 117 59.068 2.838 3.088 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.370 4.591 3.041 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.700 3.977 3.086 1.00 1.53 H new ATOM 509 N LYS A 118 55.251 6.040 0.026 1.00 0.52 N ATOM 510 CA LYS A 118 53.810 6.111 0.402 1.00 0.63 C ATOM 511 C LYS A 118 52.965 5.388 -0.648 1.00 0.71 C ATOM 512 O LYS A 118 51.954 4.786 -0.341 1.00 0.83 O ATOM 513 CB LYS A 118 53.475 7.603 0.437 1.00 0.68 C ATOM 514 CG LYS A 118 53.807 8.236 -0.916 1.00 1.05 C ATOM 515 CD LYS A 118 53.249 9.661 -0.964 1.00 1.33 C ATOM 516 CE LYS A 118 53.681 10.421 0.292 1.00 1.49 C ATOM 517 NZ LYS A 118 53.626 11.859 -0.091 1.00 1.82 N ATOM 0 H LYS A 118 55.730 6.938 -0.042 1.00 0.52 H new ATOM 0 HA LYS A 118 53.606 5.635 1.361 1.00 0.63 H new ATOM 0 HB2 LYS A 118 52.419 7.743 0.666 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.041 8.095 1.228 1.00 0.68 H new ATOM 0 HG2 LYS A 118 54.886 8.251 -1.067 1.00 1.05 H new ATOM 0 HG3 LYS A 118 53.381 7.640 -1.723 1.00 1.05 H new ATOM 0 HD2 LYS A 118 53.610 10.175 -1.855 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.161 9.635 -1.030 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.016 10.210 1.130 1.00 1.49 H new ATOM 0 HE3 LYS A 118 54.686 10.133 0.602 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 54.591 12.244 -0.133 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 53.174 11.953 -1.023 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 53.074 12.386 0.616 1.00 1.82 H new ATOM 531 N ILE A 119 53.376 5.433 -1.886 1.00 0.72 N ATOM 532 CA ILE A 119 52.602 4.737 -2.952 1.00 0.84 C ATOM 533 C ILE A 119 52.903 3.236 -2.910 1.00 0.86 C ATOM 534 O ILE A 119 52.075 2.418 -3.259 1.00 0.96 O ATOM 535 CB ILE A 119 53.081 5.362 -4.262 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.361 6.696 -4.472 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.768 4.427 -5.433 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.286 7.660 -5.211 1.00 1.08 C ATOM 0 H ILE A 119 54.213 5.921 -2.205 1.00 0.72 H new ATOM 0 HA ILE A 119 51.524 4.846 -2.832 1.00 0.84 H new ATOM 0 HB ILE A 119 54.158 5.523 -4.213 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.446 6.542 -5.044 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.069 7.119 -3.511 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.113 4.880 -6.363 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.276 3.474 -5.284 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.692 4.260 -5.488 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.775 8.611 -5.362 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.188 7.822 -4.622 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.556 7.236 -6.178 1.00 1.08 H new ATOM 550 N MET A 120 54.077 2.869 -2.470 1.00 0.82 N ATOM 551 CA MET A 120 54.423 1.421 -2.387 1.00 0.92 C ATOM 552 C MET A 120 53.433 0.717 -1.457 1.00 0.92 C ATOM 553 O MET A 120 52.878 -0.314 -1.783 1.00 1.01 O ATOM 554 CB MET A 120 55.840 1.386 -1.804 1.00 0.96 C ATOM 555 CG MET A 120 56.124 0.009 -1.193 1.00 1.50 C ATOM 556 SD MET A 120 57.673 0.073 -0.258 1.00 2.13 S ATOM 557 CE MET A 120 58.790 -0.246 -1.646 1.00 2.73 C ATOM 0 H MET A 120 54.810 3.509 -2.165 1.00 0.82 H new ATOM 0 HA MET A 120 54.376 0.916 -3.352 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.569 1.603 -2.585 1.00 0.96 H new ATOM 0 HB3 MET A 120 55.948 2.159 -1.043 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.304 -0.287 -0.539 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.192 -0.743 -1.979 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.815 -0.025 -1.347 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.716 -1.293 -1.940 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.513 0.388 -2.489 1.00 2.73 H new ATOM 567 N LEU A 121 53.203 1.276 -0.300 1.00 0.88 N ATOM 568 CA LEU A 121 52.244 0.653 0.655 1.00 0.96 C ATOM 569 C LEU A 121 50.849 0.616 0.036 1.00 0.99 C ATOM 570 O LEU A 121 50.104 -0.326 0.216 1.00 1.12 O ATOM 571 CB LEU A 121 52.247 1.572 1.870 1.00 0.98 C ATOM 572 CG LEU A 121 53.673 1.722 2.402 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.645 2.492 3.724 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.279 0.336 2.633 1.00 1.81 C ATOM 0 H LEU A 121 53.639 2.139 0.025 1.00 0.88 H new ATOM 0 HA LEU A 121 52.519 -0.370 0.910 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.845 2.549 1.600 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.600 1.165 2.647 1.00 0.98 H new ATOM 0 HG LEU A 121 54.277 2.267 1.676 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.661 2.599 4.104 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.212 3.479 3.561 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.042 1.947 4.450 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.295 0.442 3.012 1.00 1.81 H new ATOM 0 HD22 LEU A 121 53.676 -0.208 3.359 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.298 -0.214 1.692 1.00 1.81 H new ATOM 586 N GLN A 122 50.493 1.635 -0.696 1.00 0.95 N ATOM 587 CA GLN A 122 49.149 1.654 -1.333 1.00 1.05 C ATOM 588 C GLN A 122 49.062 0.515 -2.343 1.00 1.12 C ATOM 589 O GLN A 122 48.024 -0.086 -2.533 1.00 1.24 O ATOM 590 CB GLN A 122 49.056 3.007 -2.034 1.00 1.07 C ATOM 591 CG GLN A 122 48.293 3.985 -1.141 1.00 1.49 C ATOM 592 CD GLN A 122 49.110 5.267 -0.972 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.700 5.756 -1.915 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.173 5.835 0.202 1.00 1.52 N ATOM 0 H GLN A 122 51.074 2.453 -0.880 1.00 0.95 H new ATOM 0 HA GLN A 122 48.338 1.523 -0.617 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.054 3.391 -2.244 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.548 2.899 -2.992 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.323 4.215 -1.582 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.102 3.532 -0.168 1.00 1.49 H new ATOM 0 HE21 GLN A 122 48.678 5.425 0.994 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.717 6.689 0.327 1.00 1.52 H new ATOM 603 N ALA A 123 50.157 0.203 -2.978 1.00 1.11 N ATOM 604 CA ALA A 123 50.151 -0.911 -3.960 1.00 1.26 C ATOM 605 C ALA A 123 49.976 -2.230 -3.211 1.00 1.39 C ATOM 606 O ALA A 123 49.597 -3.236 -3.776 1.00 1.55 O ATOM 607 CB ALA A 123 51.517 -0.849 -4.642 1.00 1.31 C ATOM 0 H ALA A 123 51.055 0.672 -2.858 1.00 1.11 H new ATOM 0 HA ALA A 123 49.343 -0.836 -4.688 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.590 -1.644 -5.384 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.635 0.117 -5.132 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.302 -0.976 -3.896 1.00 1.31 H new ATOM 613 N THR A 124 50.245 -2.223 -1.933 1.00 1.38 N ATOM 614 CA THR A 124 50.090 -3.469 -1.131 1.00 1.59 C ATOM 615 C THR A 124 49.011 -3.273 -0.059 1.00 1.77 C ATOM 616 O THR A 124 48.762 -4.146 0.748 1.00 2.03 O ATOM 617 CB THR A 124 51.456 -3.698 -0.484 1.00 1.65 C ATOM 618 OG1 THR A 124 52.099 -2.447 -0.285 1.00 2.26 O ATOM 619 CG2 THR A 124 52.314 -4.577 -1.396 1.00 1.97 C ATOM 0 H THR A 124 50.565 -1.408 -1.410 1.00 1.38 H new ATOM 0 HA THR A 124 49.783 -4.319 -1.741 1.00 1.59 H new ATOM 0 HB THR A 124 51.325 -4.196 0.477 1.00 1.65 H new ATOM 0 HG1 THR A 124 52.974 -2.592 0.131 1.00 2.26 H new ATOM 0 HG21 THR A 124 53.288 -4.740 -0.934 1.00 1.97 H new ATOM 0 HG22 THR A 124 51.819 -5.536 -1.547 1.00 1.97 H new ATOM 0 HG23 THR A 124 52.447 -4.082 -2.358 1.00 1.97 H new ATOM 627 N GLY A 125 48.368 -2.135 -0.046 1.00 1.74 N ATOM 628 CA GLY A 125 47.308 -1.894 0.974 1.00 2.07 C ATOM 629 C GLY A 125 47.130 -0.388 1.187 1.00 1.64 C ATOM 630 O GLY A 125 48.086 0.345 1.347 1.00 2.16 O ATOM 0 H GLY A 125 48.531 -1.365 -0.695 1.00 1.74 H new ATOM 0 HA2 GLY A 125 46.368 -2.339 0.648 1.00 2.07 H new ATOM 0 HA3 GLY A 125 47.578 -2.375 1.914 1.00 2.07 H new ATOM 634 N GLU A 126 45.910 0.078 1.191 1.00 1.68 N ATOM 635 CA GLU A 126 45.668 1.536 1.396 1.00 1.94 C ATOM 636 C GLU A 126 44.916 1.765 2.709 1.00 1.76 C ATOM 637 O GLU A 126 43.702 1.732 2.755 1.00 2.42 O ATOM 638 CB GLU A 126 44.811 1.967 0.206 1.00 2.83 C ATOM 639 CG GLU A 126 45.389 1.377 -1.082 1.00 3.43 C ATOM 640 CD GLU A 126 44.634 1.940 -2.288 1.00 4.44 C ATOM 641 OE1 GLU A 126 43.436 2.138 -2.171 1.00 5.02 O ATOM 642 OE2 GLU A 126 45.267 2.164 -3.306 1.00 4.97 O ATOM 0 H GLU A 126 45.071 -0.487 1.061 1.00 1.68 H new ATOM 0 HA GLU A 126 46.596 2.105 1.456 1.00 1.94 H new ATOM 0 HB2 GLU A 126 43.784 1.630 0.344 1.00 2.83 H new ATOM 0 HB3 GLU A 126 44.783 3.055 0.140 1.00 2.83 H new ATOM 0 HG2 GLU A 126 46.450 1.617 -1.160 1.00 3.43 H new ATOM 0 HG3 GLU A 126 45.308 0.290 -1.064 1.00 3.43 H new ATOM 649 N THR A 127 45.628 1.994 3.779 1.00 1.67 N ATOM 650 CA THR A 127 44.954 2.221 5.089 1.00 1.97 C ATOM 651 C THR A 127 45.828 3.097 5.990 1.00 1.60 C ATOM 652 O THR A 127 45.641 3.155 7.189 1.00 1.70 O ATOM 653 CB THR A 127 44.792 0.826 5.695 1.00 2.78 C ATOM 654 OG1 THR A 127 44.250 0.939 7.003 1.00 3.37 O ATOM 655 CG2 THR A 127 46.156 0.138 5.762 1.00 3.72 C ATOM 0 H THR A 127 46.647 2.034 3.802 1.00 1.67 H new ATOM 0 HA THR A 127 43.998 2.734 4.979 1.00 1.97 H new ATOM 0 HB THR A 127 44.119 0.235 5.074 1.00 2.78 H new ATOM 0 HG1 THR A 127 44.502 1.804 7.388 1.00 3.37 H new ATOM 0 HG21 THR A 127 46.041 -0.856 6.194 1.00 3.72 H new ATOM 0 HG22 THR A 127 46.570 0.052 4.757 1.00 3.72 H new ATOM 0 HG23 THR A 127 46.831 0.727 6.383 1.00 3.72 H new ATOM 663 N ILE A 128 46.785 3.779 5.422 1.00 1.39 N ATOM 664 CA ILE A 128 47.671 4.647 6.247 1.00 1.35 C ATOM 665 C ILE A 128 47.941 5.971 5.525 1.00 1.27 C ATOM 666 O ILE A 128 48.260 5.997 4.353 1.00 1.39 O ATOM 667 CB ILE A 128 48.965 3.848 6.406 1.00 1.59 C ATOM 668 CG1 ILE A 128 49.477 3.425 5.025 1.00 2.00 C ATOM 669 CG2 ILE A 128 48.692 2.601 7.249 1.00 2.58 C ATOM 670 CD1 ILE A 128 50.819 4.107 4.750 1.00 2.44 C ATOM 0 H ILE A 128 46.991 3.772 4.423 1.00 1.39 H new ATOM 0 HA ILE A 128 47.224 4.899 7.209 1.00 1.35 H new ATOM 0 HB ILE A 128 49.715 4.466 6.899 1.00 1.59 H new ATOM 0 HG12 ILE A 128 49.592 2.342 4.984 1.00 2.00 H new ATOM 0 HG13 ILE A 128 48.753 3.699 4.257 1.00 2.00 H new ATOM 0 HG21 ILE A 128 49.614 2.030 7.363 1.00 2.58 H new ATOM 0 HG22 ILE A 128 48.325 2.899 8.231 1.00 2.58 H new ATOM 0 HG23 ILE A 128 47.942 1.984 6.754 1.00 2.58 H new ATOM 0 HD11 ILE A 128 51.185 3.807 3.768 1.00 2.44 H new ATOM 0 HD12 ILE A 128 50.689 5.189 4.774 1.00 2.44 H new ATOM 0 HD13 ILE A 128 51.540 3.811 5.512 1.00 2.44 H new ATOM 682 N THR A 129 47.815 7.072 6.217 1.00 1.18 N ATOM 683 CA THR A 129 48.064 8.393 5.571 1.00 1.21 C ATOM 684 C THR A 129 49.553 8.745 5.639 1.00 1.10 C ATOM 685 O THR A 129 50.378 7.930 6.005 1.00 1.04 O ATOM 686 CB THR A 129 47.238 9.395 6.381 1.00 1.37 C ATOM 687 OG1 THR A 129 47.706 9.417 7.723 1.00 1.63 O ATOM 688 CG2 THR A 129 45.766 8.985 6.358 1.00 1.63 C ATOM 0 H THR A 129 47.551 7.113 7.201 1.00 1.18 H new ATOM 0 HA THR A 129 47.786 8.394 4.517 1.00 1.21 H new ATOM 0 HB THR A 129 47.341 10.388 5.944 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.179 10.059 8.243 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.180 9.700 6.935 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.408 8.970 5.328 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.658 7.992 6.794 1.00 1.63 H new ATOM 696 N GLU A 130 49.906 9.953 5.290 1.00 1.13 N ATOM 697 CA GLU A 130 51.342 10.353 5.334 1.00 1.09 C ATOM 698 C GLU A 130 51.875 10.253 6.765 1.00 1.03 C ATOM 699 O GLU A 130 53.069 10.213 6.990 1.00 0.98 O ATOM 700 CB GLU A 130 51.366 11.805 4.855 1.00 1.23 C ATOM 701 CG GLU A 130 51.157 11.849 3.341 1.00 1.68 C ATOM 702 CD GLU A 130 51.047 13.305 2.884 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.930 14.166 3.741 1.00 2.77 O ATOM 704 OE2 GLU A 130 51.080 13.535 1.686 1.00 2.66 O ATOM 0 H GLU A 130 49.262 10.680 4.977 1.00 1.13 H new ATOM 0 HA GLU A 130 51.968 9.710 4.715 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.586 12.377 5.357 1.00 1.23 H new ATOM 0 HB3 GLU A 130 52.318 12.269 5.115 1.00 1.23 H new ATOM 0 HG2 GLU A 130 51.988 11.359 2.834 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.253 11.303 3.072 1.00 1.68 H new ATOM 711 N ASP A 131 51.002 10.214 7.733 1.00 1.08 N ATOM 712 CA ASP A 131 51.463 10.118 9.148 1.00 1.10 C ATOM 713 C ASP A 131 52.223 8.808 9.366 1.00 0.95 C ATOM 714 O ASP A 131 53.346 8.799 9.829 1.00 0.88 O ATOM 715 CB ASP A 131 50.183 10.139 9.982 1.00 1.27 C ATOM 716 CG ASP A 131 50.154 11.402 10.843 1.00 1.65 C ATOM 717 OD1 ASP A 131 51.068 11.579 11.631 1.00 2.28 O ATOM 718 OD2 ASP A 131 49.218 12.170 10.700 1.00 2.09 O ATOM 0 H ASP A 131 49.990 10.244 7.607 1.00 1.08 H new ATOM 0 HA ASP A 131 52.140 10.928 9.419 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.311 10.112 9.329 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.135 9.253 10.616 1.00 1.27 H new ATOM 723 N ASP A 132 51.617 7.700 9.035 1.00 0.96 N ATOM 724 CA ASP A 132 52.302 6.390 9.223 1.00 0.88 C ATOM 725 C ASP A 132 53.485 6.266 8.258 1.00 0.76 C ATOM 726 O ASP A 132 54.440 5.562 8.520 1.00 0.72 O ATOM 727 CB ASP A 132 51.237 5.340 8.905 1.00 0.99 C ATOM 728 CG ASP A 132 50.272 5.217 10.085 1.00 1.31 C ATOM 729 OD1 ASP A 132 49.916 6.242 10.644 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.905 4.100 10.411 1.00 1.95 O ATOM 0 H ASP A 132 50.677 7.646 8.643 1.00 0.96 H new ATOM 0 HA ASP A 132 52.703 6.274 10.230 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.692 5.621 8.004 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.708 4.378 8.705 1.00 0.99 H new ATOM 735 N ILE A 133 53.430 6.945 7.145 1.00 0.78 N ATOM 736 CA ILE A 133 54.553 6.867 6.167 1.00 0.73 C ATOM 737 C ILE A 133 55.635 7.890 6.524 1.00 0.66 C ATOM 738 O ILE A 133 56.738 7.845 6.016 1.00 0.63 O ATOM 739 CB ILE A 133 53.928 7.203 4.813 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.672 6.353 4.599 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.936 6.911 3.700 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.984 6.778 3.302 1.00 0.96 C ATOM 0 H ILE A 133 52.656 7.550 6.870 1.00 0.78 H new ATOM 0 HA ILE A 133 55.028 5.886 6.164 1.00 0.73 H new ATOM 0 HB ILE A 133 53.657 8.259 4.793 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.938 5.297 4.553 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.991 6.474 5.441 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.491 7.150 2.734 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.829 7.519 3.849 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.208 5.856 3.723 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.090 6.173 3.149 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.704 7.830 3.366 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.666 6.635 2.464 1.00 0.96 H new ATOM 754 N GLU A 134 55.327 8.812 7.394 1.00 0.73 N ATOM 755 CA GLU A 134 56.335 9.840 7.784 1.00 0.77 C ATOM 756 C GLU A 134 57.422 9.212 8.661 1.00 0.70 C ATOM 757 O GLU A 134 58.600 9.343 8.396 1.00 0.68 O ATOM 758 CB GLU A 134 55.549 10.887 8.574 1.00 0.96 C ATOM 759 CG GLU A 134 55.040 11.972 7.623 1.00 0.95 C ATOM 760 CD GLU A 134 56.043 13.126 7.580 1.00 1.60 C ATOM 761 OE1 GLU A 134 55.981 13.972 8.458 1.00 2.27 O ATOM 762 OE2 GLU A 134 56.856 13.145 6.671 1.00 2.07 O ATOM 0 H GLU A 134 54.420 8.899 7.853 1.00 0.73 H new ATOM 0 HA GLU A 134 56.837 10.273 6.919 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.710 10.416 9.087 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.184 11.330 9.341 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.902 11.559 6.624 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.067 12.334 7.955 1.00 0.95 H new ATOM 769 N GLU A 135 57.034 8.533 9.705 1.00 0.74 N ATOM 770 CA GLU A 135 58.044 7.900 10.600 1.00 0.76 C ATOM 771 C GLU A 135 58.592 6.619 9.962 1.00 0.66 C ATOM 772 O GLU A 135 59.626 6.115 10.350 1.00 0.74 O ATOM 773 CB GLU A 135 57.286 7.575 11.887 1.00 0.88 C ATOM 774 CG GLU A 135 58.041 8.157 13.085 1.00 1.20 C ATOM 775 CD GLU A 135 59.452 7.568 13.135 1.00 1.48 C ATOM 776 OE1 GLU A 135 59.579 6.372 12.931 1.00 1.95 O ATOM 777 OE2 GLU A 135 60.379 8.322 13.374 1.00 2.16 O ATOM 0 H GLU A 135 56.062 8.389 9.977 1.00 0.74 H new ATOM 0 HA GLU A 135 58.898 8.553 10.783 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.279 7.989 11.843 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.183 6.496 11.998 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.092 9.243 13.004 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.508 7.931 14.009 1.00 1.20 H new ATOM 784 N LEU A 136 57.904 6.089 8.987 1.00 0.62 N ATOM 785 CA LEU A 136 58.386 4.842 8.325 1.00 0.66 C ATOM 786 C LEU A 136 59.593 5.147 7.434 1.00 0.61 C ATOM 787 O LEU A 136 60.557 4.410 7.406 1.00 0.70 O ATOM 788 CB LEU A 136 57.205 4.358 7.482 1.00 0.77 C ATOM 789 CG LEU A 136 57.527 2.984 6.894 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.705 1.971 8.026 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.378 2.536 5.987 1.00 1.38 C ATOM 0 H LEU A 136 57.030 6.465 8.620 1.00 0.62 H new ATOM 0 HA LEU A 136 58.707 4.090 9.046 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.306 4.301 8.095 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.000 5.069 6.682 1.00 0.77 H new ATOM 0 HG LEU A 136 58.448 3.045 6.314 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.934 0.992 7.605 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.523 2.289 8.673 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.785 1.910 8.607 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.607 1.556 5.567 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.458 2.476 6.568 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.250 3.256 5.179 1.00 1.38 H new ATOM 803 N MET A 137 59.548 6.227 6.703 1.00 0.55 N ATOM 804 CA MET A 137 60.697 6.573 5.817 1.00 0.59 C ATOM 805 C MET A 137 61.875 7.080 6.654 1.00 0.65 C ATOM 806 O MET A 137 63.021 6.793 6.370 1.00 0.81 O ATOM 807 CB MET A 137 60.170 7.678 4.897 1.00 0.60 C ATOM 808 CG MET A 137 61.346 8.420 4.256 1.00 0.96 C ATOM 809 SD MET A 137 62.496 7.225 3.531 1.00 1.23 S ATOM 810 CE MET A 137 61.469 6.745 2.121 1.00 1.35 C ATOM 0 H MET A 137 58.768 6.884 6.680 1.00 0.55 H new ATOM 0 HA MET A 137 61.058 5.714 5.252 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.534 7.248 4.124 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.554 8.375 5.465 1.00 0.60 H new ATOM 0 HG2 MET A 137 60.983 9.103 3.488 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.858 9.025 5.004 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.105 6.377 1.316 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.777 5.960 2.425 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.905 7.609 1.771 1.00 1.35 H new ATOM 820 N LYS A 138 61.602 7.830 7.687 1.00 0.62 N ATOM 821 CA LYS A 138 62.705 8.352 8.544 1.00 0.79 C ATOM 822 C LYS A 138 63.521 7.192 9.116 1.00 0.86 C ATOM 823 O LYS A 138 64.689 7.332 9.422 1.00 1.16 O ATOM 824 CB LYS A 138 62.005 9.119 9.668 1.00 0.87 C ATOM 825 CG LYS A 138 62.717 10.455 9.895 1.00 1.55 C ATOM 826 CD LYS A 138 61.850 11.594 9.356 1.00 2.07 C ATOM 827 CE LYS A 138 62.421 12.936 9.824 1.00 2.85 C ATOM 828 NZ LYS A 138 61.232 13.736 10.230 1.00 3.36 N ATOM 0 H LYS A 138 60.663 8.104 7.975 1.00 0.62 H new ATOM 0 HA LYS A 138 63.396 8.985 7.988 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.960 9.291 9.409 1.00 0.87 H new ATOM 0 HB3 LYS A 138 62.014 8.530 10.585 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.908 10.601 10.958 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.685 10.453 9.394 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.821 11.559 8.267 1.00 2.07 H new ATOM 0 HD3 LYS A 138 60.824 11.481 9.706 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.111 12.803 10.657 1.00 2.85 H new ATOM 0 HE3 LYS A 138 62.976 13.429 9.026 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 61.540 14.671 10.564 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 60.596 13.851 9.415 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 60.728 13.244 10.995 1.00 3.36 H new ATOM 842 N ASP A 139 62.916 6.045 9.260 1.00 0.71 N ATOM 843 CA ASP A 139 63.654 4.873 9.811 1.00 0.85 C ATOM 844 C ASP A 139 64.364 4.119 8.684 1.00 0.85 C ATOM 845 O ASP A 139 65.534 3.799 8.777 1.00 1.02 O ATOM 846 CB ASP A 139 62.579 3.995 10.452 1.00 0.97 C ATOM 847 CG ASP A 139 62.390 4.401 11.914 1.00 1.50 C ATOM 848 OD1 ASP A 139 62.652 5.551 12.228 1.00 1.80 O ATOM 849 OD2 ASP A 139 61.988 3.556 12.696 1.00 2.33 O ATOM 0 H ASP A 139 61.941 5.868 9.019 1.00 0.71 H new ATOM 0 HA ASP A 139 64.421 5.166 10.528 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.639 4.100 9.910 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.867 2.946 10.390 1.00 0.97 H new ATOM 854 N GLY A 140 63.666 3.833 7.619 1.00 0.81 N ATOM 855 CA GLY A 140 64.300 3.100 6.486 1.00 0.86 C ATOM 856 C GLY A 140 65.494 3.900 5.963 1.00 0.77 C ATOM 857 O GLY A 140 66.348 3.379 5.273 1.00 0.86 O ATOM 0 H GLY A 140 62.684 4.075 7.484 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.626 2.113 6.815 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.574 2.946 5.687 1.00 0.86 H new ATOM 861 N ASP A 141 65.564 5.162 6.287 1.00 0.70 N ATOM 862 CA ASP A 141 66.705 5.993 5.807 1.00 0.66 C ATOM 863 C ASP A 141 67.927 5.775 6.702 1.00 0.74 C ATOM 864 O ASP A 141 67.989 6.263 7.813 1.00 0.87 O ATOM 865 CB ASP A 141 66.214 7.439 5.906 1.00 0.66 C ATOM 866 CG ASP A 141 66.815 8.260 4.766 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.933 7.967 4.376 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.147 9.170 4.302 1.00 0.83 O ATOM 0 H ASP A 141 64.881 5.654 6.863 1.00 0.70 H new ATOM 0 HA ASP A 141 67.006 5.737 4.791 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.126 7.469 5.856 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.500 7.867 6.867 1.00 0.66 H new ATOM 873 N LYS A 142 68.898 5.043 6.229 1.00 0.75 N ATOM 874 CA LYS A 142 70.114 4.792 7.055 1.00 0.87 C ATOM 875 C LYS A 142 70.909 6.088 7.230 1.00 0.89 C ATOM 876 O LYS A 142 71.766 6.192 8.084 1.00 1.05 O ATOM 877 CB LYS A 142 70.924 3.765 6.264 1.00 0.89 C ATOM 878 CG LYS A 142 71.541 2.749 7.226 1.00 1.24 C ATOM 879 CD LYS A 142 72.379 1.744 6.436 1.00 1.26 C ATOM 880 CE LYS A 142 73.574 1.298 7.282 1.00 1.55 C ATOM 881 NZ LYS A 142 74.694 2.183 6.861 1.00 1.99 N ATOM 0 H LYS A 142 68.902 4.608 5.307 1.00 0.75 H new ATOM 0 HA LYS A 142 69.870 4.433 8.055 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.282 3.257 5.544 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.708 4.265 5.695 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.163 3.259 7.961 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.756 2.231 7.777 1.00 1.24 H new ATOM 0 HD2 LYS A 142 71.771 0.882 6.164 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.726 2.195 5.506 1.00 1.26 H new ATOM 0 HE2 LYS A 142 73.366 1.404 8.347 1.00 1.55 H new ATOM 0 HE3 LYS A 142 73.812 0.249 7.107 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 75.551 1.938 7.398 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.874 2.056 5.845 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 74.441 3.175 7.046 1.00 1.99 H new ATOM 895 N ASN A 143 70.631 7.076 6.425 1.00 0.85 N ATOM 896 CA ASN A 143 71.371 8.365 6.545 1.00 1.05 C ATOM 897 C ASN A 143 70.388 9.538 6.580 1.00 1.07 C ATOM 898 O ASN A 143 70.778 10.688 6.545 1.00 1.56 O ATOM 899 CB ASN A 143 72.248 8.437 5.295 1.00 1.08 C ATOM 900 CG ASN A 143 71.374 8.735 4.074 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.166 8.618 4.134 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.938 9.117 2.962 1.00 1.48 N ATOM 0 H ASN A 143 69.924 7.047 5.690 1.00 0.85 H new ATOM 0 HA ASN A 143 71.961 8.418 7.460 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.004 9.213 5.413 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.778 7.495 5.155 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.365 9.318 2.142 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.952 9.215 2.912 1.00 1.48 H new ATOM 909 N ASN A 144 69.116 9.254 6.647 1.00 0.78 N ATOM 910 CA ASN A 144 68.108 10.352 6.684 1.00 0.82 C ATOM 911 C ASN A 144 68.481 11.444 5.675 1.00 0.82 C ATOM 912 O ASN A 144 68.883 12.529 6.043 1.00 0.92 O ATOM 913 CB ASN A 144 68.166 10.898 8.111 1.00 0.95 C ATOM 914 CG ASN A 144 67.911 9.763 9.106 1.00 1.47 C ATOM 915 OD1 ASN A 144 68.685 9.556 10.019 1.00 2.28 O ATOM 916 ND2 ASN A 144 66.852 9.014 8.966 1.00 1.93 N ATOM 0 H ASN A 144 68.731 8.310 6.678 1.00 0.78 H new ATOM 0 HA ASN A 144 67.109 10.004 6.423 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.141 11.348 8.299 1.00 0.95 H new ATOM 0 HB3 ASN A 144 67.421 11.683 8.241 1.00 0.95 H new ATOM 0 HD21 ASN A 144 66.674 8.255 9.623 1.00 1.93 H new ATOM 0 HD22 ASN A 144 66.202 9.188 8.199 1.00 1.93 H new ATOM 923 N ASP A 145 68.350 11.164 4.407 1.00 0.75 N ATOM 924 CA ASP A 145 68.696 12.187 3.378 1.00 0.78 C ATOM 925 C ASP A 145 67.458 12.545 2.552 1.00 0.74 C ATOM 926 O ASP A 145 67.409 13.570 1.902 1.00 0.81 O ATOM 927 CB ASP A 145 69.757 11.523 2.497 1.00 0.76 C ATOM 928 CG ASP A 145 69.110 10.412 1.669 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.727 9.413 2.252 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.008 10.581 0.464 1.00 1.85 O ATOM 0 H ASP A 145 68.019 10.272 4.039 1.00 0.75 H new ATOM 0 HA ASP A 145 69.059 13.113 3.823 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.213 12.263 1.839 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.554 11.112 3.116 1.00 0.76 H new ATOM 935 N GLY A 146 66.455 11.710 2.577 1.00 0.69 N ATOM 936 CA GLY A 146 65.220 12.006 1.797 1.00 0.70 C ATOM 937 C GLY A 146 64.950 10.875 0.804 1.00 0.58 C ATOM 938 O GLY A 146 63.831 10.664 0.380 1.00 0.62 O ATOM 0 H GLY A 146 66.437 10.836 3.103 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.372 12.120 2.472 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.333 12.950 1.265 1.00 0.70 H new ATOM 942 N ARG A 147 65.963 10.146 0.425 1.00 0.54 N ATOM 943 CA ARG A 147 65.753 9.034 -0.545 1.00 0.49 C ATOM 944 C ARG A 147 66.217 7.705 0.059 1.00 0.44 C ATOM 945 O ARG A 147 66.712 7.653 1.167 1.00 0.56 O ATOM 946 CB ARG A 147 66.607 9.401 -1.759 1.00 0.57 C ATOM 947 CG ARG A 147 65.800 10.304 -2.696 1.00 0.78 C ATOM 948 CD ARG A 147 66.642 11.522 -3.085 1.00 0.73 C ATOM 949 NE ARG A 147 66.615 12.407 -1.888 1.00 1.07 N ATOM 950 CZ ARG A 147 66.591 13.705 -2.034 1.00 1.60 C ATOM 951 NH1 ARG A 147 65.859 14.242 -2.972 1.00 2.32 N ATOM 952 NH2 ARG A 147 67.299 14.463 -1.242 1.00 2.22 N ATOM 0 H ARG A 147 66.924 10.271 0.743 1.00 0.54 H new ATOM 0 HA ARG A 147 64.703 8.910 -0.808 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.515 9.911 -1.438 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.918 8.498 -2.285 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.508 9.751 -3.589 1.00 0.78 H new ATOM 0 HG3 ARG A 147 64.881 10.626 -2.206 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.662 11.232 -3.339 1.00 0.73 H new ATOM 0 HD3 ARG A 147 66.227 12.026 -3.958 1.00 0.73 H new ATOM 0 HE ARG A 147 66.615 11.999 -0.953 1.00 1.07 H new ATOM 0 HH11 ARG A 147 65.306 13.648 -3.590 1.00 2.32 H new ATOM 0 HH12 ARG A 147 65.840 15.255 -3.087 1.00 2.32 H new ATOM 0 HH21 ARG A 147 67.871 14.042 -0.510 1.00 2.22 H new ATOM 0 HH22 ARG A 147 67.281 15.477 -1.355 1.00 2.22 H new ATOM 966 N ILE A 148 66.056 6.631 -0.664 1.00 0.35 N ATOM 967 CA ILE A 148 66.484 5.301 -0.142 1.00 0.36 C ATOM 968 C ILE A 148 67.084 4.466 -1.277 1.00 0.40 C ATOM 969 O ILE A 148 66.443 4.206 -2.276 1.00 0.41 O ATOM 970 CB ILE A 148 65.198 4.659 0.392 1.00 0.35 C ATOM 971 CG1 ILE A 148 64.918 5.186 1.802 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.355 3.135 0.444 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.812 4.352 2.451 1.00 0.40 C ATOM 0 H ILE A 148 65.645 6.617 -1.597 1.00 0.35 H new ATOM 0 HA ILE A 148 67.248 5.376 0.632 1.00 0.36 H new ATOM 0 HB ILE A 148 64.370 4.912 -0.270 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.825 5.139 2.405 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.619 6.233 1.757 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.437 2.687 0.824 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.556 2.755 -0.558 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.184 2.877 1.102 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.614 4.728 3.455 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.904 4.422 1.852 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.129 3.311 2.510 1.00 0.40 H new ATOM 985 N ASP A 149 68.312 4.045 -1.133 1.00 0.47 N ATOM 986 CA ASP A 149 68.949 3.228 -2.206 1.00 0.55 C ATOM 987 C ASP A 149 68.758 1.736 -1.917 1.00 0.58 C ATOM 988 O ASP A 149 67.945 1.352 -1.100 1.00 0.54 O ATOM 989 CB ASP A 149 70.433 3.601 -2.167 1.00 0.65 C ATOM 990 CG ASP A 149 70.992 3.348 -0.767 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.867 4.227 0.068 1.00 2.00 O ATOM 992 OD2 ASP A 149 71.539 2.280 -0.556 1.00 2.16 O ATOM 0 H ASP A 149 68.900 4.231 -0.321 1.00 0.47 H new ATOM 0 HA ASP A 149 68.511 3.420 -3.185 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.985 3.014 -2.901 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.561 4.649 -2.436 1.00 0.65 H new ATOM 997 N TYR A 150 69.497 0.893 -2.584 1.00 0.67 N ATOM 998 CA TYR A 150 69.354 -0.573 -2.348 1.00 0.73 C ATOM 999 C TYR A 150 69.860 -0.939 -0.952 1.00 0.75 C ATOM 1000 O TYR A 150 69.265 -1.735 -0.253 1.00 0.76 O ATOM 1001 CB TYR A 150 70.221 -1.231 -3.421 1.00 0.84 C ATOM 1002 CG TYR A 150 70.170 -2.731 -3.263 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.983 -3.354 -2.856 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.309 -3.500 -3.528 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.937 -4.747 -2.713 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.262 -4.893 -3.384 1.00 2.14 C ATOM 1007 CZ TYR A 150 70.077 -5.515 -2.979 1.00 2.02 C ATOM 1008 OH TYR A 150 70.031 -6.887 -2.840 1.00 2.63 O ATOM 0 H TYR A 150 70.193 1.155 -3.282 1.00 0.67 H new ATOM 0 HA TYR A 150 68.316 -0.900 -2.403 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.868 -0.947 -4.413 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.250 -0.881 -3.337 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.104 -2.761 -2.653 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.224 -3.020 -3.843 1.00 1.74 H new ATOM 0 HE1 TYR A 150 68.023 -5.228 -2.398 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.141 -5.486 -3.586 1.00 2.14 H new ATOM 0 HH TYR A 150 70.906 -7.268 -3.064 1.00 2.63 H new ATOM 1018 N ASP A 151 70.959 -0.370 -0.542 1.00 0.78 N ATOM 1019 CA ASP A 151 71.505 -0.690 0.808 1.00 0.82 C ATOM 1020 C ASP A 151 70.581 -0.137 1.899 1.00 0.74 C ATOM 1021 O ASP A 151 69.974 -0.879 2.644 1.00 0.76 O ATOM 1022 CB ASP A 151 72.874 -0.009 0.859 1.00 0.87 C ATOM 1023 CG ASP A 151 73.826 -0.704 -0.116 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.476 -0.817 -1.279 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.891 -1.112 0.318 1.00 2.08 O ATOM 0 H ASP A 151 71.503 0.303 -1.082 1.00 0.78 H new ATOM 0 HA ASP A 151 71.583 -1.764 0.977 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.777 1.045 0.600 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.277 -0.053 1.871 1.00 0.87 H new ATOM 1030 N GLU A 152 70.467 1.161 1.998 1.00 0.67 N ATOM 1031 CA GLU A 152 69.580 1.751 3.042 1.00 0.61 C ATOM 1032 C GLU A 152 68.208 1.073 3.011 1.00 0.58 C ATOM 1033 O GLU A 152 67.521 0.992 4.010 1.00 0.58 O ATOM 1034 CB GLU A 152 69.457 3.229 2.669 1.00 0.59 C ATOM 1035 CG GLU A 152 70.814 3.913 2.837 1.00 0.76 C ATOM 1036 CD GLU A 152 70.623 5.431 2.838 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.965 5.924 3.739 1.00 1.39 O ATOM 1038 OE2 GLU A 152 71.137 6.074 1.938 1.00 1.20 O ATOM 0 H GLU A 152 70.948 1.836 1.403 1.00 0.67 H new ATOM 0 HA GLU A 152 69.979 1.618 4.048 1.00 0.61 H new ATOM 0 HB2 GLU A 152 69.113 3.328 1.639 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.713 3.714 3.301 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.281 3.594 3.769 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.483 3.620 2.028 1.00 0.76 H new ATOM 1045 N PHE A 153 67.806 0.584 1.870 1.00 0.60 N ATOM 1046 CA PHE A 153 66.479 -0.090 1.771 1.00 0.61 C ATOM 1047 C PHE A 153 66.532 -1.461 2.449 1.00 0.66 C ATOM 1048 O PHE A 153 65.642 -1.832 3.189 1.00 0.71 O ATOM 1049 CB PHE A 153 66.225 -0.242 0.271 1.00 0.64 C ATOM 1050 CG PHE A 153 64.977 -1.061 0.051 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.057 -2.458 -0.006 1.00 1.47 C ATOM 1052 CD2 PHE A 153 63.738 -0.425 -0.096 1.00 1.18 C ATOM 1053 CE1 PHE A 153 63.899 -3.218 -0.210 1.00 1.55 C ATOM 1054 CE2 PHE A 153 62.580 -1.185 -0.300 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.661 -2.581 -0.356 1.00 0.93 C ATOM 0 H PHE A 153 68.339 0.622 1.001 1.00 0.60 H new ATOM 0 HA PHE A 153 65.688 0.477 2.263 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.115 0.739 -0.191 1.00 0.64 H new ATOM 0 HB3 PHE A 153 67.078 -0.725 -0.206 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.012 -2.949 0.107 1.00 1.47 H new ATOM 0 HD2 PHE A 153 63.676 0.652 -0.052 1.00 1.18 H new ATOM 0 HE1 PHE A 153 63.961 -4.295 -0.255 1.00 1.55 H new ATOM 0 HE2 PHE A 153 61.625 -0.694 -0.414 1.00 1.24 H new ATOM 0 HZ PHE A 153 61.768 -3.167 -0.512 1.00 0.93 H new ATOM 1065 N LEU A 154 67.568 -2.215 2.204 1.00 0.72 N ATOM 1066 CA LEU A 154 67.676 -3.560 2.838 1.00 0.80 C ATOM 1067 C LEU A 154 67.385 -3.454 4.337 1.00 0.79 C ATOM 1068 O LEU A 154 66.607 -4.213 4.883 1.00 0.82 O ATOM 1069 CB LEU A 154 69.120 -3.997 2.596 1.00 0.92 C ATOM 1070 CG LEU A 154 69.145 -5.119 1.557 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.271 -6.278 2.038 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.603 -4.593 0.226 1.00 1.54 C ATOM 0 H LEU A 154 68.344 -1.959 1.593 1.00 0.72 H new ATOM 0 HA LEU A 154 66.964 -4.275 2.425 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.714 -3.152 2.248 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.569 -4.340 3.528 1.00 0.92 H new ATOM 0 HG LEU A 154 70.169 -5.466 1.422 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.288 -7.078 1.298 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.654 -6.653 2.987 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.247 -5.930 2.172 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.620 -5.392 -0.515 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.579 -4.246 0.362 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.223 -3.765 -0.118 1.00 1.54 H new ATOM 1084 N GLU A 155 67.995 -2.515 5.006 1.00 0.79 N ATOM 1085 CA GLU A 155 67.744 -2.359 6.467 1.00 0.82 C ATOM 1086 C GLU A 155 66.309 -1.878 6.697 1.00 0.81 C ATOM 1087 O GLU A 155 65.663 -2.252 7.655 1.00 0.90 O ATOM 1088 CB GLU A 155 68.750 -1.306 6.936 1.00 0.85 C ATOM 1089 CG GLU A 155 68.670 -1.167 8.457 1.00 0.95 C ATOM 1090 CD GLU A 155 69.399 -2.341 9.114 1.00 1.67 C ATOM 1091 OE1 GLU A 155 69.480 -3.387 8.491 1.00 2.47 O ATOM 1092 OE2 GLU A 155 69.863 -2.174 10.230 1.00 2.27 O ATOM 0 H GLU A 155 68.656 -1.849 4.605 1.00 0.79 H new ATOM 0 HA GLU A 155 67.860 -3.295 7.013 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.759 -1.593 6.639 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.538 -0.348 6.461 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.119 -0.225 8.771 1.00 0.95 H new ATOM 0 HG3 GLU A 155 67.628 -1.147 8.777 1.00 0.95 H new ATOM 1099 N PHE A 156 65.805 -1.053 5.819 1.00 0.75 N ATOM 1100 CA PHE A 156 64.411 -0.551 5.980 1.00 0.78 C ATOM 1101 C PHE A 156 63.434 -1.730 6.018 1.00 0.84 C ATOM 1102 O PHE A 156 62.847 -2.030 7.040 1.00 0.90 O ATOM 1103 CB PHE A 156 64.162 0.320 4.747 1.00 0.78 C ATOM 1104 CG PHE A 156 62.730 0.803 4.740 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.006 0.878 5.936 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.125 1.178 3.533 1.00 1.66 C ATOM 1107 CE1 PHE A 156 60.680 1.326 5.926 1.00 1.31 C ATOM 1108 CE2 PHE A 156 60.800 1.626 3.523 1.00 1.77 C ATOM 1109 CZ PHE A 156 60.076 1.700 4.720 1.00 1.10 C ATOM 0 H PHE A 156 66.299 -0.705 4.997 1.00 0.75 H new ATOM 0 HA PHE A 156 64.271 0.008 6.905 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.842 1.172 4.749 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.367 -0.250 3.841 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.471 0.590 6.867 1.00 1.27 H new ATOM 0 HD2 PHE A 156 62.682 1.121 2.610 1.00 1.66 H new ATOM 0 HE1 PHE A 156 60.123 1.383 6.849 1.00 1.31 H new ATOM 0 HE2 PHE A 156 60.335 1.915 2.592 1.00 1.77 H new ATOM 0 HZ PHE A 156 59.053 2.045 4.712 1.00 1.10 H new ATOM 1119 N MET A 157 63.258 -2.403 4.915 1.00 0.86 N ATOM 1120 CA MET A 157 62.324 -3.565 4.889 1.00 0.95 C ATOM 1121 C MET A 157 62.759 -4.612 5.915 1.00 0.99 C ATOM 1122 O MET A 157 61.971 -5.418 6.367 1.00 1.12 O ATOM 1123 CB MET A 157 62.432 -4.129 3.472 1.00 0.99 C ATOM 1124 CG MET A 157 61.188 -4.961 3.158 1.00 1.28 C ATOM 1125 SD MET A 157 59.719 -3.910 3.260 1.00 1.48 S ATOM 1126 CE MET A 157 59.990 -2.994 1.724 1.00 1.12 C ATOM 0 H MET A 157 63.721 -2.199 4.029 1.00 0.86 H new ATOM 0 HA MET A 157 61.302 -3.279 5.137 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.530 -3.316 2.752 1.00 0.99 H new ATOM 0 HB3 MET A 157 63.327 -4.745 3.381 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.269 -5.395 2.161 1.00 1.28 H new ATOM 0 HG3 MET A 157 61.105 -5.790 3.861 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.055 -2.532 1.406 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.739 -2.220 1.889 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.339 -3.677 0.950 1.00 1.12 H new ATOM 1136 N LYS A 158 64.011 -4.606 6.286 1.00 0.94 N ATOM 1137 CA LYS A 158 64.495 -5.604 7.284 1.00 1.02 C ATOM 1138 C LYS A 158 63.641 -5.537 8.553 1.00 1.05 C ATOM 1139 O LYS A 158 63.091 -6.526 8.996 1.00 1.20 O ATOM 1140 CB LYS A 158 65.938 -5.195 7.586 1.00 1.07 C ATOM 1141 CG LYS A 158 66.899 -6.264 7.056 1.00 1.26 C ATOM 1142 CD LYS A 158 66.529 -7.625 7.649 1.00 1.53 C ATOM 1143 CE LYS A 158 66.267 -8.621 6.518 1.00 1.45 C ATOM 1144 NZ LYS A 158 67.393 -9.593 6.590 1.00 2.07 N ATOM 0 H LYS A 158 64.718 -3.956 5.943 1.00 0.94 H new ATOM 0 HA LYS A 158 64.431 -6.626 6.911 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.158 -4.233 7.123 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.074 -5.071 8.660 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.850 -6.304 5.968 1.00 1.26 H new ATOM 0 HG3 LYS A 158 67.925 -6.008 7.319 1.00 1.26 H new ATOM 0 HD2 LYS A 158 67.335 -7.987 8.287 1.00 1.53 H new ATOM 0 HD3 LYS A 158 65.643 -7.531 8.277 1.00 1.53 H new ATOM 0 HE2 LYS A 158 65.306 -9.120 6.646 1.00 1.45 H new ATOM 0 HE3 LYS A 158 66.239 -8.120 5.550 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 67.282 -10.309 5.843 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.294 -9.091 6.457 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 67.390 -10.059 7.520 1.00 2.07 H new ATOM 1158 N GLY A 159 63.525 -4.377 9.141 1.00 1.04 N ATOM 1159 CA GLY A 159 62.708 -4.247 10.381 1.00 1.14 C ATOM 1160 C GLY A 159 61.345 -3.642 10.040 1.00 1.14 C ATOM 1161 O GLY A 159 60.854 -2.770 10.729 1.00 1.38 O ATOM 0 H GLY A 159 63.961 -3.514 8.816 1.00 1.04 H new ATOM 0 HA2 GLY A 159 62.577 -5.224 10.846 1.00 1.14 H new ATOM 0 HA3 GLY A 159 63.225 -3.617 11.104 1.00 1.14 H new ATOM 1165 N VAL A 160 60.729 -4.098 8.984 1.00 1.42 N ATOM 1166 CA VAL A 160 59.397 -3.548 8.601 1.00 1.48 C ATOM 1167 C VAL A 160 58.410 -4.692 8.341 1.00 1.88 C ATOM 1168 O VAL A 160 57.290 -4.475 7.924 1.00 2.37 O ATOM 1169 CB VAL A 160 59.654 -2.747 7.323 1.00 1.32 C ATOM 1170 CG1 VAL A 160 58.343 -2.543 6.561 1.00 1.35 C ATOM 1171 CG2 VAL A 160 60.241 -1.382 7.692 1.00 1.49 C ATOM 0 H VAL A 160 61.090 -4.828 8.370 1.00 1.42 H new ATOM 0 HA VAL A 160 58.960 -2.929 9.384 1.00 1.48 H new ATOM 0 HB VAL A 160 60.354 -3.294 6.692 1.00 1.32 H new ATOM 0 HG11 VAL A 160 58.535 -1.972 5.653 1.00 1.35 H new ATOM 0 HG12 VAL A 160 57.921 -3.513 6.297 1.00 1.35 H new ATOM 0 HG13 VAL A 160 57.638 -1.999 7.189 1.00 1.35 H new ATOM 0 HG21 VAL A 160 60.426 -0.808 6.784 1.00 1.49 H new ATOM 0 HG22 VAL A 160 59.537 -0.842 8.326 1.00 1.49 H new ATOM 0 HG23 VAL A 160 61.179 -1.522 8.229 1.00 1.49 H new ATOM 1181 N GLU A 161 58.819 -5.906 8.587 1.00 2.17 N ATOM 1182 CA GLU A 161 57.903 -7.061 8.355 1.00 2.67 C ATOM 1183 C GLU A 161 56.898 -7.177 9.502 1.00 3.21 C ATOM 1184 O GLU A 161 55.940 -6.421 9.504 1.00 3.74 O ATOM 1185 CB GLU A 161 58.814 -8.288 8.314 1.00 3.19 C ATOM 1186 CG GLU A 161 58.186 -9.360 7.422 1.00 3.64 C ATOM 1187 CD GLU A 161 58.251 -10.717 8.128 1.00 4.40 C ATOM 1188 OE1 GLU A 161 58.928 -10.804 9.138 1.00 4.73 O ATOM 1189 OE2 GLU A 161 57.621 -11.644 7.646 1.00 5.03 O ATOM 1190 OXT GLU A 161 57.103 -8.020 10.360 1.00 3.58 O ATOM 0 H GLU A 161 59.745 -6.149 8.938 1.00 2.17 H new ATOM 0 HA GLU A 161 57.326 -6.952 7.437 1.00 2.67 H new ATOM 0 HB2 GLU A 161 59.797 -8.012 7.932 1.00 3.19 H new ATOM 0 HB3 GLU A 161 58.962 -8.678 9.321 1.00 3.19 H new ATOM 0 HG2 GLU A 161 57.150 -9.103 7.201 1.00 3.64 H new ATOM 0 HG3 GLU A 161 58.713 -9.409 6.469 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 62.908 7.737 -6.733 1.00 0.50 CA HETATM 1199 CA CA A 2 68.962 7.341 2.548 1.00 0.74 CA