USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 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 Set 1.1: A 122 GLN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 120 MET CE :methyl 177:sc=-0.000882 (180deg=-0.004) USER MOD Set 2.2: A 157 MET CE :methyl -95:sc= -0.0456 (180deg=-0.247) 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+ -177:sc= 0 (180deg=-0.00224) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 98 SER OG : rot -84:sc= 0.168 USER MOD Single : A 103 MET CE :methyl 154:sc= 0 (180deg=-1.02) USER MOD Single : A 106 LYS NZ :NH3+ 174:sc= -0.321 (180deg=-0.385) USER MOD Single : A 107 ASN : amide:sc= -6.73! C(o=-6.7!,f=-7.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 153:sc= -0.753 (180deg=-1.71!) USER MOD Single : A 124 THR OG1 : rot -4:sc= 0.187 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 137 MET CE :methyl -149:sc= -0.234 (180deg=-2.43!) USER MOD Single : A 138 LYS NZ :NH3+ 162:sc= -2.24! (180deg=-2.49!) USER MOD Single : A 142 LYS NZ :NH3+ -131:sc= -0.966 (180deg=-2.25!) USER MOD Single : A 144 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 158 LYS NZ :NH3+ -147:sc= -0.143 (180deg=-0.408) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 61.224 -25.175 2.049 1.00 7.24 N ATOM 2 CA LYS A 86 61.113 -25.858 3.370 1.00 7.10 C ATOM 3 C LYS A 86 62.059 -25.209 4.383 1.00 6.94 C ATOM 4 O LYS A 86 61.648 -24.433 5.223 1.00 7.49 O ATOM 5 CB LYS A 86 61.525 -27.306 3.104 1.00 7.61 C ATOM 6 CG LYS A 86 60.339 -28.076 2.519 1.00 8.01 C ATOM 7 CD LYS A 86 59.365 -28.440 3.640 1.00 8.72 C ATOM 8 CE LYS A 86 59.186 -29.959 3.689 1.00 9.14 C ATOM 9 NZ LYS A 86 57.833 -30.174 4.276 1.00 9.95 N ATOM 0 HA LYS A 86 60.108 -25.790 3.786 1.00 7.10 H new ATOM 0 HB2 LYS A 86 62.367 -27.334 2.412 1.00 7.61 H new ATOM 0 HB3 LYS A 86 61.857 -27.777 4.030 1.00 7.61 H new ATOM 0 HG2 LYS A 86 59.834 -27.470 1.766 1.00 8.01 H new ATOM 0 HG3 LYS A 86 60.689 -28.979 2.019 1.00 8.01 H new ATOM 0 HD2 LYS A 86 59.742 -28.077 4.596 1.00 8.72 H new ATOM 0 HD3 LYS A 86 58.403 -27.955 3.472 1.00 8.72 H new ATOM 0 HE2 LYS A 86 59.257 -30.396 2.693 1.00 9.14 H new ATOM 0 HE3 LYS A 86 59.959 -30.427 4.299 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 57.641 -31.194 4.340 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 57.796 -29.754 5.227 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 57.117 -29.724 3.671 1.00 9.95 H new ATOM 25 N ASP A 87 63.325 -25.520 4.310 1.00 6.50 N ATOM 26 CA ASP A 87 64.298 -24.919 5.268 1.00 6.70 C ATOM 27 C ASP A 87 65.157 -23.870 4.559 1.00 6.03 C ATOM 28 O ASP A 87 65.833 -23.080 5.186 1.00 6.49 O ATOM 29 CB ASP A 87 65.163 -26.089 5.738 1.00 7.25 C ATOM 30 CG ASP A 87 65.883 -26.705 4.539 1.00 7.77 C ATOM 31 OD1 ASP A 87 66.566 -25.973 3.842 1.00 8.06 O ATOM 32 OD2 ASP A 87 65.741 -27.900 4.337 1.00 8.12 O ATOM 0 H ASP A 87 63.728 -26.164 3.629 1.00 6.50 H new ATOM 0 HA ASP A 87 63.803 -24.417 6.099 1.00 6.70 H new ATOM 0 HB2 ASP A 87 65.889 -25.745 6.474 1.00 7.25 H new ATOM 0 HB3 ASP A 87 64.543 -26.840 6.228 1.00 7.25 H new ATOM 37 N ASP A 88 65.135 -23.857 3.254 1.00 5.23 N ATOM 38 CA ASP A 88 65.952 -22.858 2.503 1.00 5.00 C ATOM 39 C ASP A 88 65.298 -22.547 1.155 1.00 4.51 C ATOM 40 O ASP A 88 65.967 -22.376 0.155 1.00 4.82 O ATOM 41 CB ASP A 88 67.309 -23.531 2.299 1.00 5.14 C ATOM 42 CG ASP A 88 67.148 -24.737 1.371 1.00 5.52 C ATOM 43 OD1 ASP A 88 66.156 -25.435 1.507 1.00 5.85 O ATOM 44 OD2 ASP A 88 68.017 -24.941 0.540 1.00 5.82 O ATOM 0 H ASP A 88 64.588 -24.494 2.675 1.00 5.23 H new ATOM 0 HA ASP A 88 66.043 -21.912 3.037 1.00 5.00 H new ATOM 0 HB2 ASP A 88 68.018 -22.822 1.871 1.00 5.14 H new ATOM 0 HB3 ASP A 88 67.717 -23.849 3.259 1.00 5.14 H new ATOM 49 N SER A 89 63.996 -22.473 1.120 1.00 4.24 N ATOM 50 CA SER A 89 63.300 -22.173 -0.164 1.00 4.26 C ATOM 51 C SER A 89 62.057 -21.318 0.096 1.00 3.50 C ATOM 52 O SER A 89 61.018 -21.517 -0.503 1.00 3.81 O ATOM 53 CB SER A 89 62.903 -23.537 -0.726 1.00 5.08 C ATOM 54 OG SER A 89 63.486 -23.703 -2.012 1.00 5.76 O ATOM 0 H SER A 89 63.384 -22.607 1.925 1.00 4.24 H new ATOM 0 HA SER A 89 63.931 -21.615 -0.856 1.00 4.26 H new ATOM 0 HB2 SER A 89 63.238 -24.330 -0.057 1.00 5.08 H new ATOM 0 HB3 SER A 89 61.818 -23.614 -0.793 1.00 5.08 H new ATOM 0 HG SER A 89 63.235 -24.578 -2.375 1.00 5.76 H new ATOM 60 N LYS A 90 62.155 -20.368 0.986 1.00 3.10 N ATOM 61 CA LYS A 90 60.979 -19.502 1.286 1.00 3.08 C ATOM 62 C LYS A 90 61.344 -18.472 2.359 1.00 2.72 C ATOM 63 O LYS A 90 62.182 -18.713 3.206 1.00 3.21 O ATOM 64 CB LYS A 90 59.904 -20.457 1.803 1.00 3.94 C ATOM 65 CG LYS A 90 60.520 -21.414 2.826 1.00 4.74 C ATOM 66 CD LYS A 90 59.409 -22.181 3.544 1.00 5.61 C ATOM 67 CE LYS A 90 58.422 -21.190 4.166 1.00 6.53 C ATOM 68 NZ LYS A 90 57.531 -22.023 5.020 1.00 7.32 N ATOM 0 H LYS A 90 62.998 -20.154 1.518 1.00 3.10 H new ATOM 0 HA LYS A 90 60.641 -18.945 0.412 1.00 3.08 H new ATOM 0 HB2 LYS A 90 59.091 -19.893 2.260 1.00 3.94 H new ATOM 0 HB3 LYS A 90 59.474 -21.021 0.975 1.00 3.94 H new ATOM 0 HG2 LYS A 90 61.194 -22.111 2.327 1.00 4.74 H new ATOM 0 HG3 LYS A 90 61.116 -20.856 3.548 1.00 4.74 H new ATOM 0 HD2 LYS A 90 58.891 -22.834 2.841 1.00 5.61 H new ATOM 0 HD3 LYS A 90 59.835 -22.820 4.318 1.00 5.61 H new ATOM 0 HE2 LYS A 90 58.940 -20.433 4.755 1.00 6.53 H new ATOM 0 HE3 LYS A 90 57.855 -20.663 3.399 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 56.825 -21.415 5.482 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 57.047 -22.730 4.431 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 58.098 -22.507 5.745 1.00 7.32 H new ATOM 82 N GLY A 91 60.720 -17.327 2.333 1.00 2.57 N ATOM 83 CA GLY A 91 61.032 -16.285 3.352 1.00 2.96 C ATOM 84 C GLY A 91 61.633 -15.059 2.664 1.00 2.68 C ATOM 85 O GLY A 91 62.279 -14.240 3.289 1.00 2.94 O ATOM 0 H GLY A 91 60.008 -17.068 1.651 1.00 2.57 H new ATOM 0 HA2 GLY A 91 60.126 -16.005 3.890 1.00 2.96 H new ATOM 0 HA3 GLY A 91 61.731 -16.680 4.089 1.00 2.96 H new ATOM 89 N LYS A 92 61.428 -14.925 1.383 1.00 2.54 N ATOM 90 CA LYS A 92 61.989 -13.750 0.656 1.00 2.34 C ATOM 91 C LYS A 92 63.481 -13.597 0.967 1.00 2.22 C ATOM 92 O LYS A 92 63.860 -13.039 1.979 1.00 2.57 O ATOM 93 CB LYS A 92 61.205 -12.549 1.183 1.00 2.51 C ATOM 94 CG LYS A 92 60.371 -11.946 0.050 1.00 2.46 C ATOM 95 CD LYS A 92 59.076 -11.365 0.622 1.00 2.69 C ATOM 96 CE LYS A 92 59.365 -10.009 1.267 1.00 2.82 C ATOM 97 NZ LYS A 92 59.307 -10.261 2.734 1.00 3.39 N ATOM 0 H LYS A 92 60.896 -15.578 0.807 1.00 2.54 H new ATOM 0 HA LYS A 92 61.900 -13.852 -0.426 1.00 2.34 H new ATOM 0 HB2 LYS A 92 60.556 -12.857 2.003 1.00 2.51 H new ATOM 0 HB3 LYS A 92 61.890 -11.801 1.582 1.00 2.51 H new ATOM 0 HG2 LYS A 92 60.938 -11.166 -0.458 1.00 2.46 H new ATOM 0 HG3 LYS A 92 60.142 -12.710 -0.693 1.00 2.46 H new ATOM 0 HD2 LYS A 92 58.335 -11.252 -0.169 1.00 2.69 H new ATOM 0 HD3 LYS A 92 58.654 -12.048 1.359 1.00 2.69 H new ATOM 0 HE2 LYS A 92 60.343 -9.631 0.970 1.00 2.82 H new ATOM 0 HE3 LYS A 92 58.630 -9.263 0.965 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 59.445 -9.366 3.246 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 58.380 -10.662 2.981 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 60.056 -10.931 3.001 1.00 3.39 H new ATOM 111 N THR A 93 64.331 -14.086 0.106 1.00 1.93 N ATOM 112 CA THR A 93 65.797 -13.967 0.354 1.00 1.88 C ATOM 113 C THR A 93 66.290 -12.572 -0.042 1.00 1.62 C ATOM 114 O THR A 93 65.526 -11.733 -0.479 1.00 1.47 O ATOM 115 CB THR A 93 66.435 -15.036 -0.535 1.00 1.99 C ATOM 116 OG1 THR A 93 66.031 -14.832 -1.881 1.00 2.05 O ATOM 117 CG2 THR A 93 65.989 -16.422 -0.069 1.00 2.53 C ATOM 0 H THR A 93 64.074 -14.563 -0.758 1.00 1.93 H new ATOM 0 HA THR A 93 66.052 -14.105 1.405 1.00 1.88 H new ATOM 0 HB THR A 93 67.521 -14.966 -0.467 1.00 1.99 H new ATOM 0 HG1 THR A 93 66.440 -15.515 -2.452 1.00 2.05 H new ATOM 0 HG21 THR A 93 66.444 -17.183 -0.703 1.00 2.53 H new ATOM 0 HG22 THR A 93 66.301 -16.576 0.964 1.00 2.53 H new ATOM 0 HG23 THR A 93 64.904 -16.496 -0.135 1.00 2.53 H new ATOM 125 N GLU A 94 67.562 -12.317 0.109 1.00 1.64 N ATOM 126 CA GLU A 94 68.104 -10.977 -0.256 1.00 1.49 C ATOM 127 C GLU A 94 67.934 -10.723 -1.756 1.00 1.41 C ATOM 128 O GLU A 94 68.130 -9.624 -2.235 1.00 1.36 O ATOM 129 CB GLU A 94 69.588 -11.036 0.109 1.00 1.64 C ATOM 130 CG GLU A 94 69.756 -10.777 1.606 1.00 1.85 C ATOM 131 CD GLU A 94 70.871 -11.667 2.156 1.00 2.27 C ATOM 132 OE1 GLU A 94 70.691 -12.874 2.159 1.00 2.65 O ATOM 133 OE2 GLU A 94 71.886 -11.128 2.565 1.00 2.83 O ATOM 0 H GLU A 94 68.249 -12.979 0.469 1.00 1.64 H new ATOM 0 HA GLU A 94 67.586 -10.171 0.263 1.00 1.49 H new ATOM 0 HB2 GLU A 94 69.999 -12.012 -0.150 1.00 1.64 H new ATOM 0 HB3 GLU A 94 70.144 -10.294 -0.464 1.00 1.64 H new ATOM 0 HG2 GLU A 94 69.995 -9.728 1.780 1.00 1.85 H new ATOM 0 HG3 GLU A 94 68.822 -10.982 2.128 1.00 1.85 H new ATOM 140 N GLU A 95 67.573 -11.731 -2.503 1.00 1.47 N ATOM 141 CA GLU A 95 67.396 -11.542 -3.971 1.00 1.49 C ATOM 142 C GLU A 95 66.034 -10.905 -4.266 1.00 1.39 C ATOM 143 O GLU A 95 65.894 -10.114 -5.178 1.00 1.40 O ATOM 144 CB GLU A 95 67.470 -12.949 -4.565 1.00 1.68 C ATOM 145 CG GLU A 95 67.197 -12.883 -6.069 1.00 2.03 C ATOM 146 CD GLU A 95 65.782 -13.391 -6.353 1.00 2.24 C ATOM 147 OE1 GLU A 95 65.385 -14.358 -5.724 1.00 2.72 O ATOM 148 OE2 GLU A 95 65.121 -12.804 -7.193 1.00 2.56 O ATOM 0 H GLU A 95 67.393 -12.675 -2.161 1.00 1.47 H new ATOM 0 HA GLU A 95 68.152 -10.881 -4.394 1.00 1.49 H new ATOM 0 HB2 GLU A 95 68.454 -13.381 -4.382 1.00 1.68 H new ATOM 0 HB3 GLU A 95 66.741 -13.599 -4.080 1.00 1.68 H new ATOM 0 HG2 GLU A 95 67.305 -11.858 -6.424 1.00 2.03 H new ATOM 0 HG3 GLU A 95 67.927 -13.486 -6.609 1.00 2.03 H new ATOM 155 N GLU A 96 65.030 -11.242 -3.504 1.00 1.38 N ATOM 156 CA GLU A 96 63.681 -10.653 -3.745 1.00 1.34 C ATOM 157 C GLU A 96 63.641 -9.206 -3.246 1.00 1.16 C ATOM 158 O GLU A 96 63.160 -8.317 -3.921 1.00 1.07 O ATOM 159 CB GLU A 96 62.718 -11.525 -2.937 1.00 1.51 C ATOM 160 CG GLU A 96 61.818 -12.312 -3.892 1.00 2.07 C ATOM 161 CD GLU A 96 62.657 -13.341 -4.652 1.00 2.19 C ATOM 162 OE1 GLU A 96 63.542 -13.921 -4.045 1.00 2.60 O ATOM 163 OE2 GLU A 96 62.400 -13.532 -5.829 1.00 2.61 O ATOM 0 H GLU A 96 65.085 -11.899 -2.726 1.00 1.38 H new ATOM 0 HA GLU A 96 63.422 -10.632 -4.803 1.00 1.34 H new ATOM 0 HB2 GLU A 96 63.278 -12.210 -2.301 1.00 1.51 H new ATOM 0 HB3 GLU A 96 62.112 -10.902 -2.279 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.027 -12.813 -3.334 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.332 -11.633 -4.593 1.00 2.07 H new ATOM 170 N LEU A 97 64.141 -8.965 -2.066 1.00 1.14 N ATOM 171 CA LEU A 97 64.132 -7.578 -1.515 1.00 0.99 C ATOM 172 C LEU A 97 64.642 -6.580 -2.559 1.00 0.82 C ATOM 173 O LEU A 97 64.285 -5.419 -2.546 1.00 0.70 O ATOM 174 CB LEU A 97 65.081 -7.629 -0.317 1.00 1.03 C ATOM 175 CG LEU A 97 64.275 -7.826 0.966 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.493 -9.246 1.493 1.00 1.57 C ATOM 177 CD2 LEU A 97 64.737 -6.817 2.018 1.00 1.71 C ATOM 0 H LEU A 97 64.557 -9.670 -1.457 1.00 1.14 H new ATOM 0 HA LEU A 97 63.130 -7.253 -1.236 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.794 -8.444 -0.439 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.658 -6.706 -0.258 1.00 1.03 H new ATOM 0 HG LEU A 97 63.216 -7.674 0.756 1.00 1.31 H new ATOM 0 HD11 LEU A 97 63.918 -9.387 2.408 1.00 1.57 H new ATOM 0 HD12 LEU A 97 64.165 -9.967 0.744 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.552 -9.398 1.703 1.00 1.57 H new ATOM 0 HD21 LEU A 97 64.162 -6.957 2.934 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.796 -6.969 2.227 1.00 1.71 H new ATOM 0 HD23 LEU A 97 64.583 -5.805 1.644 1.00 1.71 H new ATOM 189 N SER A 98 65.478 -7.019 -3.460 1.00 0.87 N ATOM 190 CA SER A 98 66.014 -6.090 -4.497 1.00 0.78 C ATOM 191 C SER A 98 64.989 -5.885 -5.617 1.00 0.75 C ATOM 192 O SER A 98 64.815 -4.793 -6.120 1.00 0.74 O ATOM 193 CB SER A 98 67.264 -6.782 -5.037 1.00 0.93 C ATOM 194 OG SER A 98 66.895 -8.015 -5.641 1.00 1.41 O ATOM 0 H SER A 98 65.813 -7.980 -3.523 1.00 0.87 H new ATOM 0 HA SER A 98 66.234 -5.103 -4.089 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.762 -6.142 -5.765 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.974 -6.958 -4.229 1.00 0.93 H new ATOM 0 HG SER A 98 66.833 -8.710 -4.953 1.00 1.41 H new ATOM 200 N ASP A 99 64.314 -6.927 -6.017 1.00 0.80 N ATOM 201 CA ASP A 99 63.306 -6.793 -7.110 1.00 0.82 C ATOM 202 C ASP A 99 62.190 -5.829 -6.698 1.00 0.77 C ATOM 203 O ASP A 99 61.680 -5.076 -7.505 1.00 0.77 O ATOM 204 CB ASP A 99 62.750 -8.205 -7.305 1.00 0.93 C ATOM 205 CG ASP A 99 63.876 -9.138 -7.752 1.00 1.45 C ATOM 206 OD1 ASP A 99 65.007 -8.900 -7.361 1.00 2.18 O ATOM 207 OD2 ASP A 99 63.588 -10.077 -8.476 1.00 1.92 O ATOM 0 H ASP A 99 64.416 -7.867 -5.635 1.00 0.80 H new ATOM 0 HA ASP A 99 63.743 -6.392 -8.025 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.311 -8.566 -6.375 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.954 -8.195 -8.050 1.00 0.93 H new ATOM 212 N LEU A 100 61.801 -5.848 -5.454 1.00 0.77 N ATOM 213 CA LEU A 100 60.713 -4.935 -4.999 1.00 0.77 C ATOM 214 C LEU A 100 61.170 -3.475 -5.083 1.00 0.64 C ATOM 215 O LEU A 100 60.427 -2.604 -5.489 1.00 0.64 O ATOM 216 CB LEU A 100 60.446 -5.331 -3.546 1.00 0.85 C ATOM 217 CG LEU A 100 59.820 -6.726 -3.503 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.493 -7.094 -2.055 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.534 -6.731 -4.331 1.00 1.57 C ATOM 0 H LEU A 100 62.188 -6.456 -4.732 1.00 0.77 H new ATOM 0 HA LEU A 100 59.819 -5.021 -5.617 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.377 -5.321 -2.979 1.00 0.85 H new ATOM 0 HB3 LEU A 100 59.779 -4.607 -3.078 1.00 0.85 H new ATOM 0 HG LEU A 100 60.522 -7.452 -3.913 1.00 1.16 H new ATOM 0 HD11 LEU A 100 59.047 -8.088 -2.024 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.408 -7.088 -1.463 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.791 -6.368 -1.645 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.086 -7.724 -4.302 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.833 -6.005 -3.919 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.765 -6.467 -5.363 1.00 1.57 H new ATOM 231 N PHE A 101 62.384 -3.200 -4.694 1.00 0.60 N ATOM 232 CA PHE A 101 62.886 -1.796 -4.743 1.00 0.53 C ATOM 233 C PHE A 101 62.820 -1.245 -6.173 1.00 0.49 C ATOM 234 O PHE A 101 62.380 -0.135 -6.398 1.00 0.61 O ATOM 235 CB PHE A 101 64.337 -1.880 -4.272 1.00 0.57 C ATOM 236 CG PHE A 101 64.982 -0.518 -4.380 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.276 0.019 -5.639 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.286 0.205 -3.221 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.875 1.281 -5.738 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.884 1.466 -3.320 1.00 1.30 C ATOM 241 CZ PHE A 101 66.179 2.004 -4.578 1.00 0.40 C ATOM 0 H PHE A 101 63.052 -3.887 -4.344 1.00 0.60 H new ATOM 0 HA PHE A 101 62.288 -1.128 -4.123 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.376 -2.232 -3.241 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.885 -2.603 -4.876 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.041 -0.539 -6.533 1.00 1.23 H new ATOM 0 HD2 PHE A 101 65.059 -0.210 -2.250 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.102 1.696 -6.709 1.00 1.23 H new ATOM 0 HE2 PHE A 101 66.118 2.024 -2.426 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.641 2.977 -4.654 1.00 0.40 H new ATOM 251 N ARG A 102 63.264 -2.004 -7.136 1.00 0.53 N ATOM 252 CA ARG A 102 63.235 -1.512 -8.545 1.00 0.70 C ATOM 253 C ARG A 102 61.804 -1.503 -9.092 1.00 0.80 C ATOM 254 O ARG A 102 61.464 -0.707 -9.944 1.00 1.09 O ATOM 255 CB ARG A 102 64.098 -2.502 -9.327 1.00 0.87 C ATOM 256 CG ARG A 102 65.576 -2.161 -9.130 1.00 1.28 C ATOM 257 CD ARG A 102 66.430 -3.398 -9.417 1.00 1.83 C ATOM 258 NE ARG A 102 67.774 -2.864 -9.774 1.00 2.26 N ATOM 259 CZ ARG A 102 68.459 -3.411 -10.740 1.00 2.89 C ATOM 260 NH1 ARG A 102 68.291 -3.008 -11.970 1.00 3.68 N ATOM 261 NH2 ARG A 102 69.315 -4.361 -10.476 1.00 3.22 N ATOM 0 H ARG A 102 63.645 -2.942 -7.010 1.00 0.53 H new ATOM 0 HA ARG A 102 63.604 -0.489 -8.624 1.00 0.70 H new ATOM 0 HB2 ARG A 102 63.901 -3.519 -8.988 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.844 -2.464 -10.386 1.00 0.87 H new ATOM 0 HG2 ARG A 102 65.863 -1.346 -9.794 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.748 -1.817 -8.110 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.483 -4.051 -8.546 1.00 1.83 H new ATOM 0 HD3 ARG A 102 66.010 -3.987 -10.232 1.00 1.83 H new ATOM 0 HE ARG A 102 68.159 -2.070 -9.263 1.00 2.26 H new ATOM 0 HH11 ARG A 102 67.624 -2.265 -12.177 1.00 3.68 H new ATOM 0 HH12 ARG A 102 68.827 -3.436 -12.725 1.00 3.68 H new ATOM 0 HH21 ARG A 102 69.448 -4.675 -9.515 1.00 3.22 H new ATOM 0 HH22 ARG A 102 69.851 -4.789 -11.231 1.00 3.22 H new ATOM 275 N MET A 103 60.966 -2.385 -8.621 1.00 0.68 N ATOM 276 CA MET A 103 59.565 -2.421 -9.135 1.00 0.81 C ATOM 277 C MET A 103 58.671 -1.443 -8.364 1.00 0.79 C ATOM 278 O MET A 103 57.522 -1.245 -8.705 1.00 0.90 O ATOM 279 CB MET A 103 59.097 -3.860 -8.917 1.00 0.91 C ATOM 280 CG MET A 103 57.978 -4.185 -9.910 1.00 1.35 C ATOM 281 SD MET A 103 58.120 -5.910 -10.438 1.00 1.92 S ATOM 282 CE MET A 103 58.161 -6.650 -8.787 1.00 1.63 C ATOM 0 H MET A 103 61.187 -3.079 -7.907 1.00 0.68 H new ATOM 0 HA MET A 103 59.513 -2.125 -10.183 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.930 -4.550 -9.052 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.740 -3.987 -7.895 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.006 -4.014 -9.447 1.00 1.35 H new ATOM 0 HG3 MET A 103 58.040 -3.523 -10.774 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.791 -7.674 -8.838 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.185 -6.653 -8.415 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.532 -6.070 -8.112 1.00 1.63 H new ATOM 292 N PHE A 104 59.180 -0.830 -7.331 1.00 0.71 N ATOM 293 CA PHE A 104 58.340 0.132 -6.555 1.00 0.75 C ATOM 294 C PHE A 104 58.849 1.563 -6.753 1.00 0.68 C ATOM 295 O PHE A 104 58.119 2.519 -6.580 1.00 0.80 O ATOM 296 CB PHE A 104 58.485 -0.296 -5.094 1.00 0.76 C ATOM 297 CG PHE A 104 57.313 -1.168 -4.706 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.029 -0.617 -4.615 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.511 -2.528 -4.439 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.944 -1.426 -4.256 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.426 -3.336 -4.081 1.00 1.90 C ATOM 302 CZ PHE A 104 55.142 -2.785 -3.989 1.00 1.76 C ATOM 0 H PHE A 104 60.134 -0.951 -6.991 1.00 0.71 H new ATOM 0 HA PHE A 104 57.299 0.121 -6.878 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.419 -0.840 -4.954 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.528 0.582 -4.449 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.876 0.432 -4.822 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.501 -2.954 -4.509 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.954 -1.001 -4.185 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.579 -4.385 -3.876 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.305 -3.409 -3.712 1.00 1.76 H new ATOM 312 N ASP A 105 60.092 1.719 -7.118 1.00 0.58 N ATOM 313 CA ASP A 105 60.640 3.091 -7.327 1.00 0.52 C ATOM 314 C ASP A 105 59.802 3.845 -8.360 1.00 0.52 C ATOM 315 O ASP A 105 60.044 3.766 -9.548 1.00 0.60 O ATOM 316 CB ASP A 105 62.063 2.879 -7.843 1.00 0.60 C ATOM 317 CG ASP A 105 62.697 4.233 -8.166 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.435 5.178 -7.439 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.435 4.301 -9.135 1.00 0.54 O ATOM 0 H ASP A 105 60.751 0.958 -7.281 1.00 0.58 H new ATOM 0 HA ASP A 105 60.624 3.683 -6.412 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.658 2.356 -7.094 1.00 0.60 H new ATOM 0 HB3 ASP A 105 62.048 2.251 -8.734 1.00 0.60 H new ATOM 324 N LYS A 106 58.819 4.578 -7.916 1.00 0.51 N ATOM 325 CA LYS A 106 57.968 5.340 -8.873 1.00 0.60 C ATOM 326 C LYS A 106 58.809 6.390 -9.600 1.00 0.59 C ATOM 327 O LYS A 106 58.597 6.672 -10.763 1.00 0.70 O ATOM 328 CB LYS A 106 56.901 6.009 -8.010 1.00 0.63 C ATOM 329 CG LYS A 106 55.579 5.260 -8.173 1.00 1.39 C ATOM 330 CD LYS A 106 54.662 6.040 -9.118 1.00 1.58 C ATOM 331 CE LYS A 106 54.309 7.391 -8.491 1.00 2.00 C ATOM 332 NZ LYS A 106 52.836 7.525 -8.671 1.00 2.79 N ATOM 0 H LYS A 106 58.568 4.682 -6.933 1.00 0.51 H new ATOM 0 HA LYS A 106 57.527 4.700 -9.637 1.00 0.60 H new ATOM 0 HB2 LYS A 106 57.208 6.006 -6.964 1.00 0.63 H new ATOM 0 HB3 LYS A 106 56.780 7.052 -8.304 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.762 4.261 -8.569 1.00 1.39 H new ATOM 0 HG3 LYS A 106 55.098 5.135 -7.203 1.00 1.39 H new ATOM 0 HD2 LYS A 106 55.156 6.191 -10.078 1.00 1.58 H new ATOM 0 HD3 LYS A 106 53.754 5.470 -9.313 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.582 7.420 -7.436 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.842 8.205 -8.981 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.502 8.378 -8.178 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.616 7.603 -9.684 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 52.361 6.688 -8.277 1.00 2.79 H new ATOM 346 N ASN A 107 59.764 6.966 -8.925 1.00 0.53 N ATOM 347 CA ASN A 107 60.621 7.994 -9.584 1.00 0.59 C ATOM 348 C ASN A 107 61.518 7.331 -10.630 1.00 0.60 C ATOM 349 O ASN A 107 62.093 7.986 -11.478 1.00 0.71 O ATOM 350 CB ASN A 107 61.459 8.586 -8.455 1.00 0.62 C ATOM 351 CG ASN A 107 62.497 9.548 -9.035 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.500 9.825 -8.409 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.296 10.073 -10.213 1.00 1.67 N ATOM 0 H ASN A 107 59.989 6.771 -7.949 1.00 0.53 H new ATOM 0 HA ASN A 107 60.038 8.757 -10.101 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.816 9.112 -7.749 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.956 7.789 -7.902 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.982 10.716 -10.608 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.453 9.840 -10.738 1.00 1.67 H new ATOM 360 N ALA A 108 61.640 6.034 -10.577 1.00 0.56 N ATOM 361 CA ALA A 108 62.497 5.319 -11.567 1.00 0.62 C ATOM 362 C ALA A 108 63.846 6.030 -11.726 1.00 0.64 C ATOM 363 O ALA A 108 64.313 6.254 -12.825 1.00 0.78 O ATOM 364 CB ALA A 108 61.711 5.370 -12.879 1.00 0.72 C ATOM 0 H ALA A 108 61.182 5.436 -9.889 1.00 0.56 H new ATOM 0 HA ALA A 108 62.715 4.297 -11.256 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.276 4.863 -13.661 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.749 4.874 -12.747 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.547 6.409 -13.165 1.00 0.72 H new ATOM 370 N ASP A 109 64.477 6.384 -10.638 1.00 0.57 N ATOM 371 CA ASP A 109 65.796 7.077 -10.736 1.00 0.63 C ATOM 372 C ASP A 109 66.876 6.270 -10.007 1.00 0.63 C ATOM 373 O ASP A 109 68.005 6.701 -9.880 1.00 0.76 O ATOM 374 CB ASP A 109 65.585 8.431 -10.057 1.00 0.62 C ATOM 375 CG ASP A 109 65.519 8.240 -8.539 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.821 7.337 -8.106 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.166 8.999 -7.839 1.00 1.20 O ATOM 0 H ASP A 109 64.138 6.224 -9.689 1.00 0.57 H new ATOM 0 HA ASP A 109 66.128 7.187 -11.768 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.400 9.108 -10.313 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.664 8.890 -10.416 1.00 0.62 H new ATOM 382 N GLY A 110 66.539 5.105 -9.526 1.00 0.58 N ATOM 383 CA GLY A 110 67.546 4.276 -8.804 1.00 0.62 C ATOM 384 C GLY A 110 67.287 4.358 -7.300 1.00 0.54 C ATOM 385 O GLY A 110 67.439 3.392 -6.578 1.00 0.57 O ATOM 0 H GLY A 110 65.610 4.691 -9.602 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.487 3.240 -9.138 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.553 4.628 -9.031 1.00 0.62 H new ATOM 389 N TYR A 111 66.892 5.506 -6.823 1.00 0.50 N ATOM 390 CA TYR A 111 66.616 5.660 -5.367 1.00 0.48 C ATOM 391 C TYR A 111 65.123 5.907 -5.143 1.00 0.42 C ATOM 392 O TYR A 111 64.373 6.101 -6.078 1.00 0.52 O ATOM 393 CB TYR A 111 67.433 6.878 -4.935 1.00 0.52 C ATOM 394 CG TYR A 111 68.831 6.771 -5.494 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.803 6.032 -4.810 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.155 7.409 -6.698 1.00 1.38 C ATOM 397 CE1 TYR A 111 71.099 5.931 -5.330 1.00 1.40 C ATOM 398 CE2 TYR A 111 70.450 7.308 -7.217 1.00 1.46 C ATOM 399 CZ TYR A 111 71.423 6.569 -6.533 1.00 0.83 C ATOM 400 OH TYR A 111 72.701 6.469 -7.045 1.00 0.97 O ATOM 0 H TYR A 111 66.748 6.347 -7.381 1.00 0.50 H new ATOM 0 HA TYR A 111 66.883 4.770 -4.796 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.957 7.792 -5.289 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.469 6.938 -3.847 1.00 0.52 H new ATOM 0 HD1 TYR A 111 69.553 5.540 -3.882 1.00 1.36 H new ATOM 0 HD2 TYR A 111 68.405 7.979 -7.226 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.849 5.360 -4.803 1.00 1.40 H new ATOM 0 HE2 TYR A 111 70.699 7.800 -8.145 1.00 1.46 H new ATOM 0 HH TYR A 111 72.757 6.969 -7.886 1.00 0.97 H new ATOM 410 N ILE A 112 64.684 5.905 -3.915 1.00 0.36 N ATOM 411 CA ILE A 112 63.237 6.145 -3.647 1.00 0.32 C ATOM 412 C ILE A 112 63.058 7.171 -2.531 1.00 0.35 C ATOM 413 O ILE A 112 63.813 7.215 -1.582 1.00 0.43 O ATOM 414 CB ILE A 112 62.679 4.800 -3.225 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.128 3.760 -4.259 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.148 4.903 -3.176 1.00 0.35 C ATOM 417 CD1 ILE A 112 62.061 2.683 -4.440 1.00 0.46 C ATOM 0 H ILE A 112 65.261 5.748 -3.088 1.00 0.36 H new ATOM 0 HA ILE A 112 62.725 6.542 -4.523 1.00 0.32 H new ATOM 0 HB ILE A 112 63.039 4.504 -2.240 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.323 4.249 -5.213 1.00 0.40 H new ATOM 0 HG13 ILE A 112 64.064 3.302 -3.939 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.728 3.944 -2.874 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.858 5.669 -2.457 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.770 5.170 -4.163 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.400 1.956 -5.178 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.886 2.181 -3.489 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.134 3.143 -4.783 1.00 0.46 H new ATOM 429 N ASP A 113 62.059 7.993 -2.638 1.00 0.36 N ATOM 430 CA ASP A 113 61.820 9.020 -1.583 1.00 0.44 C ATOM 431 C ASP A 113 60.557 8.677 -0.786 1.00 0.44 C ATOM 432 O ASP A 113 59.987 7.615 -0.936 1.00 0.60 O ATOM 433 CB ASP A 113 61.643 10.340 -2.336 1.00 0.56 C ATOM 434 CG ASP A 113 60.280 10.357 -3.030 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.958 9.380 -3.684 1.00 1.53 O ATOM 436 OD2 ASP A 113 59.583 11.349 -2.896 1.00 1.58 O ATOM 0 H ASP A 113 61.393 8.002 -3.411 1.00 0.36 H new ATOM 0 HA ASP A 113 62.641 9.072 -0.868 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.720 11.178 -1.644 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.438 10.460 -3.072 1.00 0.56 H new ATOM 441 N LEU A 114 60.122 9.566 0.064 1.00 0.47 N ATOM 442 CA LEU A 114 58.901 9.290 0.876 1.00 0.47 C ATOM 443 C LEU A 114 57.653 9.272 -0.013 1.00 0.50 C ATOM 444 O LEU A 114 56.725 8.526 0.224 1.00 0.52 O ATOM 445 CB LEU A 114 58.826 10.442 1.879 1.00 0.57 C ATOM 446 CG LEU A 114 58.614 9.880 3.286 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.406 11.033 4.268 1.00 1.36 C ATOM 448 CD2 LEU A 114 57.378 8.978 3.292 1.00 1.57 C ATOM 0 H LEU A 114 60.559 10.472 0.232 1.00 0.47 H new ATOM 0 HA LEU A 114 58.948 8.318 1.367 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.744 11.029 1.845 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.009 11.114 1.617 1.00 0.57 H new ATOM 0 HG LEU A 114 59.489 9.302 3.583 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.255 10.634 5.271 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.284 11.678 4.263 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.530 11.610 3.971 1.00 1.36 H new ATOM 0 HD21 LEU A 114 57.225 8.577 4.294 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.503 9.557 2.996 1.00 1.57 H new ATOM 0 HD23 LEU A 114 57.524 8.157 2.590 1.00 1.57 H new ATOM 460 N GLU A 115 57.621 10.090 -1.029 1.00 0.56 N ATOM 461 CA GLU A 115 56.426 10.115 -1.923 1.00 0.64 C ATOM 462 C GLU A 115 56.346 8.827 -2.745 1.00 0.56 C ATOM 463 O GLU A 115 55.281 8.393 -3.136 1.00 0.61 O ATOM 464 CB GLU A 115 56.637 11.324 -2.834 1.00 0.77 C ATOM 465 CG GLU A 115 55.459 12.289 -2.680 1.00 1.54 C ATOM 466 CD GLU A 115 55.740 13.572 -3.462 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.715 14.234 -3.148 1.00 2.67 O ATOM 468 OE2 GLU A 115 54.974 13.872 -4.364 1.00 2.45 O ATOM 0 H GLU A 115 58.366 10.740 -1.279 1.00 0.56 H new ATOM 0 HA GLU A 115 55.494 10.186 -1.361 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.569 11.827 -2.578 1.00 0.77 H new ATOM 0 HB3 GLU A 115 56.723 11.001 -3.871 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.544 11.822 -3.044 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.301 12.521 -1.627 1.00 1.54 H new ATOM 475 N GLU A 116 57.465 8.210 -3.009 1.00 0.49 N ATOM 476 CA GLU A 116 57.452 6.947 -3.802 1.00 0.45 C ATOM 477 C GLU A 116 57.101 5.766 -2.897 1.00 0.43 C ATOM 478 O GLU A 116 56.267 4.944 -3.226 1.00 0.51 O ATOM 479 CB GLU A 116 58.876 6.804 -4.341 1.00 0.42 C ATOM 480 CG GLU A 116 59.087 7.779 -5.501 1.00 0.94 C ATOM 481 CD GLU A 116 60.584 7.927 -5.779 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.215 6.925 -6.072 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.075 9.041 -5.694 1.00 1.43 O ATOM 0 H GLU A 116 58.388 8.525 -2.710 1.00 0.49 H new ATOM 0 HA GLU A 116 56.714 6.967 -4.604 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.597 7.004 -3.549 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.047 5.781 -4.677 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.575 7.416 -6.392 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.654 8.749 -5.258 1.00 0.94 H new ATOM 490 N LEU A 117 57.729 5.675 -1.757 1.00 0.37 N ATOM 491 CA LEU A 117 57.429 4.548 -0.830 1.00 0.42 C ATOM 492 C LEU A 117 55.972 4.623 -0.369 1.00 0.50 C ATOM 493 O LEU A 117 55.307 3.617 -0.213 1.00 0.58 O ATOM 494 CB LEU A 117 58.378 4.743 0.353 1.00 0.43 C ATOM 495 CG LEU A 117 59.046 3.411 0.693 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.526 3.468 0.311 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.918 3.146 2.195 1.00 1.53 C ATOM 0 H LEU A 117 58.436 6.332 -1.428 1.00 0.37 H new ATOM 0 HA LEU A 117 57.565 3.575 -1.302 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.134 5.489 0.108 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.828 5.118 1.216 1.00 0.43 H new ATOM 0 HG LEU A 117 58.559 2.609 0.138 1.00 0.61 H new ATOM 0 HD11 LEU A 117 61.001 2.518 0.554 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.619 3.657 -0.758 1.00 0.90 H new ATOM 0 HD13 LEU A 117 61.014 4.270 0.865 1.00 0.90 H new ATOM 0 HD21 LEU A 117 59.394 2.196 2.439 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.405 3.949 2.749 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.864 3.104 2.469 1.00 1.53 H new ATOM 509 N LYS A 118 55.470 5.807 -0.151 1.00 0.52 N ATOM 510 CA LYS A 118 54.055 5.946 0.298 1.00 0.63 C ATOM 511 C LYS A 118 53.131 5.151 -0.628 1.00 0.71 C ATOM 512 O LYS A 118 52.254 4.438 -0.185 1.00 0.83 O ATOM 513 CB LYS A 118 53.753 7.442 0.205 1.00 0.68 C ATOM 514 CG LYS A 118 52.242 7.665 0.312 1.00 1.05 C ATOM 515 CD LYS A 118 51.943 9.166 0.301 1.00 1.33 C ATOM 516 CE LYS A 118 52.500 9.808 1.573 1.00 1.49 C ATOM 517 NZ LYS A 118 51.317 9.991 2.460 1.00 1.82 N ATOM 0 H LYS A 118 55.978 6.684 -0.264 1.00 0.52 H new ATOM 0 HA LYS A 118 53.901 5.564 1.307 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.268 7.978 1.002 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.124 7.841 -0.739 1.00 0.68 H new ATOM 0 HG2 LYS A 118 51.732 7.176 -0.518 1.00 1.05 H new ATOM 0 HG3 LYS A 118 51.862 7.215 1.229 1.00 1.05 H new ATOM 0 HD2 LYS A 118 52.390 9.630 -0.578 1.00 1.33 H new ATOM 0 HD3 LYS A 118 50.868 9.333 0.238 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.250 9.171 2.041 1.00 1.49 H new ATOM 0 HE3 LYS A 118 52.982 10.761 1.356 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 51.623 9.980 3.454 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 50.861 10.902 2.248 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 50.639 9.219 2.298 1.00 1.82 H new ATOM 531 N ILE A 119 53.325 5.265 -1.914 1.00 0.72 N ATOM 532 CA ILE A 119 52.462 4.514 -2.869 1.00 0.84 C ATOM 533 C ILE A 119 52.754 3.014 -2.770 1.00 0.86 C ATOM 534 O ILE A 119 51.864 2.192 -2.858 1.00 0.96 O ATOM 535 CB ILE A 119 52.841 5.058 -4.248 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.119 6.385 -4.480 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.431 4.063 -5.334 1.00 1.06 C ATOM 538 CD1 ILE A 119 52.992 7.291 -5.345 1.00 1.08 C ATOM 0 H ILE A 119 54.044 5.846 -2.344 1.00 0.72 H new ATOM 0 HA ILE A 119 51.399 4.639 -2.664 1.00 0.84 H new ATOM 0 HB ILE A 119 53.920 5.209 -4.291 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.161 6.210 -4.969 1.00 1.00 H new ATOM 0 HG13 ILE A 119 51.907 6.868 -3.526 1.00 1.00 H new ATOM 0 HG21 ILE A 119 52.705 4.459 -6.312 1.00 1.06 H new ATOM 0 HG22 ILE A 119 52.942 3.114 -5.170 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.353 3.906 -5.295 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.480 8.238 -5.512 1.00 1.08 H new ATOM 0 HD12 ILE A 119 53.939 7.475 -4.838 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.181 6.807 -6.303 1.00 1.08 H new ATOM 550 N MET A 120 53.994 2.652 -2.580 1.00 0.82 N ATOM 551 CA MET A 120 54.335 1.205 -2.467 1.00 0.92 C ATOM 552 C MET A 120 53.444 0.546 -1.413 1.00 0.92 C ATOM 553 O MET A 120 53.023 -0.585 -1.557 1.00 1.01 O ATOM 554 CB MET A 120 55.803 1.175 -2.031 1.00 0.96 C ATOM 555 CG MET A 120 56.141 -0.202 -1.457 1.00 1.50 C ATOM 556 SD MET A 120 57.936 -0.436 -1.461 1.00 2.13 S ATOM 557 CE MET A 120 58.125 -0.763 0.308 1.00 2.73 C ATOM 0 H MET A 120 54.783 3.293 -2.498 1.00 0.82 H new ATOM 0 HA MET A 120 54.182 0.664 -3.401 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.450 1.394 -2.881 1.00 0.96 H new ATOM 0 HB3 MET A 120 55.986 1.947 -1.283 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.755 -0.289 -0.441 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.661 -0.982 -2.048 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.168 -0.992 0.526 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.820 0.116 0.875 1.00 2.73 H new ATOM 0 HE3 MET A 120 57.501 -1.611 0.590 1.00 2.73 H new ATOM 567 N LEU A 121 53.145 1.250 -0.355 1.00 0.88 N ATOM 568 CA LEU A 121 52.272 0.669 0.705 1.00 0.96 C ATOM 569 C LEU A 121 50.865 0.455 0.150 1.00 0.99 C ATOM 570 O LEU A 121 50.193 -0.500 0.484 1.00 1.12 O ATOM 571 CB LEU A 121 52.242 1.713 1.817 1.00 0.98 C ATOM 572 CG LEU A 121 53.665 2.175 2.147 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.660 2.926 3.479 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.586 0.957 2.258 1.00 1.81 C ATOM 0 H LEU A 121 53.467 2.202 -0.179 1.00 0.88 H new ATOM 0 HA LEU A 121 52.638 -0.294 1.061 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.637 2.566 1.509 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.772 1.294 2.707 1.00 0.98 H new ATOM 0 HG LEU A 121 54.024 2.833 1.356 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.672 3.255 3.715 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.004 3.793 3.405 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.300 2.265 4.268 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.598 1.286 2.493 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.226 0.299 3.049 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.591 0.417 1.311 1.00 1.81 H new ATOM 586 N GLN A 122 50.416 1.338 -0.701 1.00 0.95 N ATOM 587 CA GLN A 122 49.056 1.181 -1.285 1.00 1.05 C ATOM 588 C GLN A 122 49.015 -0.091 -2.126 1.00 1.12 C ATOM 589 O GLN A 122 48.000 -0.749 -2.232 1.00 1.24 O ATOM 590 CB GLN A 122 48.850 2.415 -2.162 1.00 1.07 C ATOM 591 CG GLN A 122 47.713 3.258 -1.587 1.00 1.49 C ATOM 592 CD GLN A 122 47.557 4.537 -2.411 1.00 1.51 C ATOM 593 OE1 GLN A 122 46.503 4.800 -2.953 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.572 5.349 -2.528 1.00 1.52 N ATOM 0 H GLN A 122 50.932 2.159 -1.016 1.00 0.95 H new ATOM 0 HA GLN A 122 48.278 1.099 -0.526 1.00 1.05 H new ATOM 0 HB2 GLN A 122 49.767 3.002 -2.205 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.615 2.115 -3.183 1.00 1.07 H new ATOM 0 HG2 GLN A 122 46.783 2.690 -1.599 1.00 1.49 H new ATOM 0 HG3 GLN A 122 47.921 3.507 -0.546 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.457 5.128 -2.072 1.00 1.52 H new ATOM 0 HE22 GLN A 122 48.480 6.205 -3.075 1.00 1.52 H new ATOM 603 N ALA A 123 50.124 -0.451 -2.712 1.00 1.11 N ATOM 604 CA ALA A 123 50.160 -1.690 -3.532 1.00 1.26 C ATOM 605 C ALA A 123 50.116 -2.905 -2.607 1.00 1.39 C ATOM 606 O ALA A 123 49.793 -4.003 -3.014 1.00 1.55 O ATOM 607 CB ALA A 123 51.489 -1.632 -4.285 1.00 1.31 C ATOM 0 H ALA A 123 51.005 0.060 -2.657 1.00 1.11 H new ATOM 0 HA ALA A 123 49.317 -1.769 -4.218 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.589 -2.516 -4.915 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.515 -0.738 -4.908 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.311 -1.600 -3.570 1.00 1.31 H new ATOM 613 N THR A 124 50.433 -2.708 -1.354 1.00 1.38 N ATOM 614 CA THR A 124 50.406 -3.844 -0.391 1.00 1.59 C ATOM 615 C THR A 124 49.364 -3.584 0.700 1.00 1.77 C ATOM 616 O THR A 124 49.220 -4.352 1.631 1.00 2.03 O ATOM 617 CB THR A 124 51.813 -3.889 0.210 1.00 1.65 C ATOM 618 OG1 THR A 124 52.074 -2.669 0.889 1.00 2.26 O ATOM 619 CG2 THR A 124 52.841 -4.086 -0.905 1.00 1.97 C ATOM 0 H THR A 124 50.709 -1.810 -0.958 1.00 1.38 H new ATOM 0 HA THR A 124 50.138 -4.786 -0.870 1.00 1.59 H new ATOM 0 HB THR A 124 51.882 -4.719 0.913 1.00 1.65 H new ATOM 0 HG1 THR A 124 51.319 -2.057 0.763 1.00 2.26 H new ATOM 0 HG21 THR A 124 53.842 -4.118 -0.475 1.00 1.97 H new ATOM 0 HG22 THR A 124 52.639 -5.023 -1.425 1.00 1.97 H new ATOM 0 HG23 THR A 124 52.775 -3.258 -1.611 1.00 1.97 H new ATOM 627 N GLY A 125 48.635 -2.504 0.594 1.00 1.74 N ATOM 628 CA GLY A 125 47.604 -2.198 1.627 1.00 2.07 C ATOM 629 C GLY A 125 46.767 -1.000 1.177 1.00 1.64 C ATOM 630 O GLY A 125 46.807 -0.598 0.031 1.00 2.16 O ATOM 0 H GLY A 125 48.709 -1.823 -0.161 1.00 1.74 H new ATOM 0 HA2 GLY A 125 46.962 -3.065 1.783 1.00 2.07 H new ATOM 0 HA3 GLY A 125 48.084 -1.981 2.581 1.00 2.07 H new ATOM 634 N GLU A 126 46.006 -0.427 2.070 1.00 1.68 N ATOM 635 CA GLU A 126 45.167 0.746 1.692 1.00 1.94 C ATOM 636 C GLU A 126 45.992 2.033 1.767 1.00 1.76 C ATOM 637 O GLU A 126 47.198 2.001 1.915 1.00 2.42 O ATOM 638 CB GLU A 126 44.037 0.772 2.722 1.00 2.83 C ATOM 639 CG GLU A 126 42.765 0.195 2.098 1.00 3.43 C ATOM 640 CD GLU A 126 42.658 -1.292 2.437 1.00 4.44 C ATOM 641 OE1 GLU A 126 43.449 -1.754 3.244 1.00 4.97 O ATOM 642 OE2 GLU A 126 41.789 -1.946 1.884 1.00 5.02 O ATOM 0 H GLU A 126 45.929 -0.720 3.044 1.00 1.68 H new ATOM 0 HA GLU A 126 44.788 0.672 0.673 1.00 1.94 H new ATOM 0 HB2 GLU A 126 44.319 0.193 3.601 1.00 2.83 H new ATOM 0 HB3 GLU A 126 43.859 1.794 3.057 1.00 2.83 H new ATOM 0 HG2 GLU A 126 41.890 0.728 2.472 1.00 3.43 H new ATOM 0 HG3 GLU A 126 42.784 0.332 1.017 1.00 3.43 H new ATOM 649 N THR A 127 45.353 3.166 1.668 1.00 1.67 N ATOM 650 CA THR A 127 46.102 4.454 1.735 1.00 1.97 C ATOM 651 C THR A 127 46.357 4.841 3.195 1.00 1.60 C ATOM 652 O THR A 127 45.437 5.052 3.960 1.00 1.70 O ATOM 653 CB THR A 127 45.190 5.478 1.059 1.00 2.78 C ATOM 654 OG1 THR A 127 44.861 5.027 -0.248 1.00 3.37 O ATOM 655 CG2 THR A 127 45.909 6.825 0.971 1.00 3.72 C ATOM 0 H THR A 127 44.345 3.256 1.544 1.00 1.67 H new ATOM 0 HA THR A 127 47.075 4.393 1.248 1.00 1.97 H new ATOM 0 HB THR A 127 44.277 5.594 1.644 1.00 2.78 H new ATOM 0 HG1 THR A 127 44.275 5.682 -0.682 1.00 3.37 H new ATOM 0 HG21 THR A 127 45.258 7.554 0.489 1.00 3.72 H new ATOM 0 HG22 THR A 127 46.160 7.170 1.974 1.00 3.72 H new ATOM 0 HG23 THR A 127 46.823 6.712 0.387 1.00 3.72 H new ATOM 663 N ILE A 128 47.599 4.935 3.587 1.00 1.39 N ATOM 664 CA ILE A 128 47.911 5.308 4.997 1.00 1.35 C ATOM 665 C ILE A 128 47.983 6.831 5.138 1.00 1.27 C ATOM 666 O ILE A 128 48.125 7.548 4.167 1.00 1.39 O ATOM 667 CB ILE A 128 49.275 4.678 5.281 1.00 1.59 C ATOM 668 CG1 ILE A 128 49.111 3.169 5.481 1.00 2.00 C ATOM 669 CG2 ILE A 128 49.871 5.298 6.546 1.00 2.58 C ATOM 670 CD1 ILE A 128 48.247 2.904 6.715 1.00 2.44 C ATOM 0 H ILE A 128 48.411 4.770 2.992 1.00 1.39 H new ATOM 0 HA ILE A 128 47.149 4.961 5.694 1.00 1.35 H new ATOM 0 HB ILE A 128 49.941 4.862 4.438 1.00 1.59 H new ATOM 0 HG12 ILE A 128 48.650 2.724 4.600 1.00 2.00 H new ATOM 0 HG13 ILE A 128 50.088 2.700 5.601 1.00 2.00 H new ATOM 0 HG21 ILE A 128 50.843 4.849 6.748 1.00 2.58 H new ATOM 0 HG22 ILE A 128 49.990 6.372 6.403 1.00 2.58 H new ATOM 0 HG23 ILE A 128 49.205 5.116 7.389 1.00 2.58 H new ATOM 0 HD11 ILE A 128 48.132 1.829 6.855 1.00 2.44 H new ATOM 0 HD12 ILE A 128 48.726 3.335 7.594 1.00 2.44 H new ATOM 0 HD13 ILE A 128 47.266 3.359 6.577 1.00 2.44 H new ATOM 682 N THR A 129 47.888 7.330 6.340 1.00 1.18 N ATOM 683 CA THR A 129 47.953 8.806 6.543 1.00 1.21 C ATOM 684 C THR A 129 49.412 9.260 6.656 1.00 1.10 C ATOM 685 O THR A 129 50.322 8.456 6.688 1.00 1.04 O ATOM 686 CB THR A 129 47.211 9.057 7.858 1.00 1.37 C ATOM 687 OG1 THR A 129 47.668 8.138 8.840 1.00 1.63 O ATOM 688 CG2 THR A 129 45.709 8.871 7.642 1.00 1.63 C ATOM 0 H THR A 129 47.768 6.780 7.191 1.00 1.18 H new ATOM 0 HA THR A 129 47.511 9.358 5.713 1.00 1.21 H new ATOM 0 HB THR A 129 47.403 10.075 8.196 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.195 8.298 9.683 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.182 9.050 8.579 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.360 9.577 6.888 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.513 7.853 7.304 1.00 1.63 H new ATOM 696 N GLU A 130 49.640 10.544 6.716 1.00 1.13 N ATOM 697 CA GLU A 130 51.039 11.049 6.826 1.00 1.09 C ATOM 698 C GLU A 130 51.584 10.806 8.236 1.00 1.03 C ATOM 699 O GLU A 130 52.742 11.046 8.515 1.00 0.98 O ATOM 700 CB GLU A 130 50.943 12.548 6.542 1.00 1.23 C ATOM 701 CG GLU A 130 51.755 12.885 5.290 1.00 1.68 C ATOM 702 CD GLU A 130 50.967 13.863 4.418 1.00 2.20 C ATOM 703 OE1 GLU A 130 49.752 13.750 4.386 1.00 2.77 O ATOM 704 OE2 GLU A 130 51.590 14.709 3.798 1.00 2.66 O ATOM 0 H GLU A 130 48.919 11.265 6.694 1.00 1.13 H new ATOM 0 HA GLU A 130 51.713 10.544 6.134 1.00 1.09 H new ATOM 0 HB2 GLU A 130 49.901 12.836 6.401 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.318 13.115 7.394 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.713 13.323 5.572 1.00 1.68 H new ATOM 0 HG3 GLU A 130 51.973 11.976 4.729 1.00 1.68 H new ATOM 711 N ASP A 131 50.759 10.333 9.129 1.00 1.08 N ATOM 712 CA ASP A 131 51.232 10.079 10.520 1.00 1.10 C ATOM 713 C ASP A 131 52.014 8.765 10.586 1.00 0.95 C ATOM 714 O ASP A 131 52.924 8.612 11.377 1.00 0.88 O ATOM 715 CB ASP A 131 49.957 9.987 11.360 1.00 1.27 C ATOM 716 CG ASP A 131 49.096 11.229 11.120 1.00 1.65 C ATOM 717 OD1 ASP A 131 49.663 12.277 10.853 1.00 2.09 O ATOM 718 OD2 ASP A 131 47.885 11.112 11.205 1.00 2.28 O ATOM 0 H ASP A 131 49.778 10.111 8.956 1.00 1.08 H new ATOM 0 HA ASP A 131 51.901 10.862 10.876 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.399 9.088 11.096 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.210 9.906 12.417 1.00 1.27 H new ATOM 723 N ASP A 132 51.665 7.814 9.764 1.00 0.96 N ATOM 724 CA ASP A 132 52.386 6.509 9.782 1.00 0.88 C ATOM 725 C ASP A 132 53.562 6.534 8.800 1.00 0.76 C ATOM 726 O ASP A 132 54.667 6.153 9.131 1.00 0.72 O ATOM 727 CB ASP A 132 51.346 5.479 9.346 1.00 0.99 C ATOM 728 CG ASP A 132 50.609 4.943 10.575 1.00 1.31 C ATOM 729 OD1 ASP A 132 51.131 5.098 11.667 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.537 4.388 10.403 1.00 1.95 O ATOM 0 H ASP A 132 50.911 7.884 9.080 1.00 0.96 H new ATOM 0 HA ASP A 132 52.801 6.282 10.764 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.637 5.933 8.654 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.831 4.660 8.814 1.00 0.99 H new ATOM 735 N ILE A 133 53.331 6.973 7.593 1.00 0.78 N ATOM 736 CA ILE A 133 54.435 7.014 6.590 1.00 0.73 C ATOM 737 C ILE A 133 55.528 7.991 7.035 1.00 0.66 C ATOM 738 O ILE A 133 56.695 7.796 6.759 1.00 0.63 O ATOM 739 CB ILE A 133 53.777 7.499 5.298 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.708 6.494 4.864 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.835 7.621 4.201 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.026 6.993 3.589 1.00 0.96 C ATOM 0 H ILE A 133 52.427 7.305 7.257 1.00 0.78 H new ATOM 0 HA ILE A 133 54.914 6.042 6.467 1.00 0.73 H new ATOM 0 HB ILE A 133 53.316 8.472 5.468 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.161 5.518 4.689 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.971 6.366 5.657 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.366 7.967 3.280 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.598 8.335 4.510 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.296 6.648 4.030 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.264 6.277 3.280 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.559 7.959 3.780 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.768 7.099 2.797 1.00 0.96 H new ATOM 754 N GLU A 134 55.163 9.040 7.720 1.00 0.73 N ATOM 755 CA GLU A 134 56.188 10.022 8.177 1.00 0.77 C ATOM 756 C GLU A 134 57.279 9.311 8.982 1.00 0.70 C ATOM 757 O GLU A 134 58.424 9.255 8.578 1.00 0.68 O ATOM 758 CB GLU A 134 55.426 11.010 9.061 1.00 0.96 C ATOM 759 CG GLU A 134 55.019 12.229 8.228 1.00 0.95 C ATOM 760 CD GLU A 134 56.125 13.284 8.292 1.00 1.60 C ATOM 761 OE1 GLU A 134 57.191 13.027 7.755 1.00 2.27 O ATOM 762 OE2 GLU A 134 55.889 14.328 8.875 1.00 2.07 O ATOM 0 H GLU A 134 54.202 9.260 7.983 1.00 0.73 H new ATOM 0 HA GLU A 134 56.683 10.520 7.343 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.542 10.531 9.481 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.049 11.320 9.899 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.843 11.934 7.194 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.084 12.644 8.604 1.00 0.95 H new ATOM 769 N GLU A 135 56.934 8.768 10.116 1.00 0.74 N ATOM 770 CA GLU A 135 57.955 8.061 10.943 1.00 0.76 C ATOM 771 C GLU A 135 58.440 6.803 10.217 1.00 0.66 C ATOM 772 O GLU A 135 59.489 6.269 10.517 1.00 0.74 O ATOM 773 CB GLU A 135 57.229 7.688 12.236 1.00 0.88 C ATOM 774 CG GLU A 135 58.196 7.808 13.416 1.00 1.20 C ATOM 775 CD GLU A 135 57.710 8.904 14.366 1.00 1.48 C ATOM 776 OE1 GLU A 135 57.351 9.966 13.883 1.00 1.95 O ATOM 777 OE2 GLU A 135 57.705 8.664 15.563 1.00 2.16 O ATOM 0 H GLU A 135 55.992 8.782 10.506 1.00 0.74 H new ATOM 0 HA GLU A 135 58.833 8.678 11.134 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.371 8.344 12.386 1.00 0.88 H new ATOM 0 HB3 GLU A 135 56.844 6.670 12.169 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.261 6.857 13.944 1.00 1.20 H new ATOM 0 HG3 GLU A 135 59.198 8.042 13.056 1.00 1.20 H new ATOM 784 N LEU A 136 57.686 6.329 9.263 1.00 0.62 N ATOM 785 CA LEU A 136 58.107 5.107 8.519 1.00 0.66 C ATOM 786 C LEU A 136 59.390 5.386 7.734 1.00 0.61 C ATOM 787 O LEU A 136 60.466 4.972 8.117 1.00 0.70 O ATOM 788 CB LEU A 136 56.950 4.802 7.568 1.00 0.77 C ATOM 789 CG LEU A 136 57.391 3.755 6.544 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.587 2.408 7.241 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.317 3.617 5.462 1.00 1.38 C ATOM 0 H LEU A 136 56.798 6.734 8.967 1.00 0.62 H new ATOM 0 HA LEU A 136 58.317 4.269 9.184 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.091 4.436 8.130 1.00 0.77 H new ATOM 0 HB3 LEU A 136 56.634 5.713 7.059 1.00 0.77 H new ATOM 0 HG LEU A 136 58.330 4.067 6.088 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.901 1.663 6.510 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.351 2.505 8.012 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.648 2.095 7.698 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.630 2.871 4.732 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.378 3.305 5.919 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.177 4.576 4.964 1.00 1.38 H new ATOM 803 N MET A 137 59.285 6.085 6.636 1.00 0.55 N ATOM 804 CA MET A 137 60.500 6.390 5.828 1.00 0.59 C ATOM 805 C MET A 137 61.524 7.147 6.677 1.00 0.65 C ATOM 806 O MET A 137 62.708 7.133 6.399 1.00 0.81 O ATOM 807 CB MET A 137 60.002 7.266 4.678 1.00 0.60 C ATOM 808 CG MET A 137 59.481 6.376 3.547 1.00 0.96 C ATOM 809 SD MET A 137 60.844 5.391 2.877 1.00 1.23 S ATOM 810 CE MET A 137 61.777 6.761 2.152 1.00 1.35 C ATOM 0 H MET A 137 58.411 6.458 6.264 1.00 0.55 H new ATOM 0 HA MET A 137 60.993 5.487 5.468 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.210 7.928 5.028 1.00 0.60 H new ATOM 0 HB3 MET A 137 60.810 7.900 4.313 1.00 0.60 H new ATOM 0 HG2 MET A 137 58.693 5.721 3.919 1.00 0.96 H new ATOM 0 HG3 MET A 137 59.041 6.989 2.761 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.310 6.411 1.268 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.091 7.559 1.869 1.00 1.35 H new ATOM 0 HE3 MET A 137 62.493 7.140 2.881 1.00 1.35 H new ATOM 820 N LYS A 138 61.081 7.809 7.712 1.00 0.62 N ATOM 821 CA LYS A 138 62.033 8.564 8.577 1.00 0.79 C ATOM 822 C LYS A 138 63.017 7.600 9.245 1.00 0.86 C ATOM 823 O LYS A 138 64.192 7.882 9.367 1.00 1.16 O ATOM 824 CB LYS A 138 61.158 9.251 9.626 1.00 0.87 C ATOM 825 CG LYS A 138 62.040 10.078 10.565 1.00 1.55 C ATOM 826 CD LYS A 138 61.425 10.086 11.965 1.00 2.07 C ATOM 827 CE LYS A 138 60.593 11.356 12.151 1.00 2.85 C ATOM 828 NZ LYS A 138 59.437 10.940 12.994 1.00 3.36 N ATOM 0 H LYS A 138 60.103 7.860 7.996 1.00 0.62 H new ATOM 0 HA LYS A 138 62.626 9.281 8.010 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.425 9.894 9.139 1.00 0.87 H new ATOM 0 HB3 LYS A 138 60.601 8.506 10.195 1.00 0.87 H new ATOM 0 HG2 LYS A 138 63.046 9.659 10.600 1.00 1.55 H new ATOM 0 HG3 LYS A 138 62.132 11.098 10.191 1.00 1.55 H new ATOM 0 HD2 LYS A 138 60.798 9.205 12.103 1.00 2.07 H new ATOM 0 HD3 LYS A 138 62.211 10.040 12.719 1.00 2.07 H new ATOM 0 HE2 LYS A 138 61.173 12.140 12.637 1.00 2.85 H new ATOM 0 HE3 LYS A 138 60.260 11.753 11.192 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 58.995 11.781 13.416 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 58.740 10.441 12.405 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 59.768 10.307 13.750 1.00 3.36 H new ATOM 842 N ASP A 139 62.544 6.462 9.679 1.00 0.71 N ATOM 843 CA ASP A 139 63.454 5.481 10.338 1.00 0.85 C ATOM 844 C ASP A 139 64.073 4.547 9.293 1.00 0.85 C ATOM 845 O ASP A 139 65.071 3.899 9.540 1.00 1.02 O ATOM 846 CB ASP A 139 62.561 4.695 11.299 1.00 0.97 C ATOM 847 CG ASP A 139 63.279 4.522 12.638 1.00 1.50 C ATOM 848 OD1 ASP A 139 63.328 5.480 13.391 1.00 1.80 O ATOM 849 OD2 ASP A 139 63.769 3.433 12.888 1.00 2.33 O ATOM 0 H ASP A 139 61.569 6.170 9.606 1.00 0.71 H new ATOM 0 HA ASP A 139 64.280 5.968 10.856 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.617 5.219 11.446 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.321 3.720 10.874 1.00 0.97 H new ATOM 854 N GLY A 140 63.491 4.474 8.127 1.00 0.81 N ATOM 855 CA GLY A 140 64.048 3.584 7.069 1.00 0.86 C ATOM 856 C GLY A 140 65.319 4.208 6.494 1.00 0.77 C ATOM 857 O GLY A 140 66.220 3.519 6.059 1.00 0.86 O ATOM 0 H GLY A 140 62.654 4.992 7.861 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.269 2.601 7.485 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.312 3.437 6.278 1.00 0.86 H new ATOM 861 N ASP A 141 65.398 5.510 6.489 1.00 0.70 N ATOM 862 CA ASP A 141 66.610 6.181 5.940 1.00 0.66 C ATOM 863 C ASP A 141 67.827 5.876 6.817 1.00 0.74 C ATOM 864 O ASP A 141 67.901 6.282 7.960 1.00 0.87 O ATOM 865 CB ASP A 141 66.283 7.675 5.974 1.00 0.66 C ATOM 866 CG ASP A 141 66.091 8.192 4.546 1.00 0.76 C ATOM 867 OD1 ASP A 141 66.112 7.380 3.635 1.00 0.92 O ATOM 868 OD2 ASP A 141 65.926 9.389 4.389 1.00 0.83 O ATOM 0 H ASP A 141 64.676 6.138 6.841 1.00 0.70 H new ATOM 0 HA ASP A 141 66.852 5.839 4.934 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.379 7.846 6.558 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.088 8.223 6.465 1.00 0.66 H new ATOM 873 N LYS A 142 68.783 5.161 6.290 1.00 0.75 N ATOM 874 CA LYS A 142 69.996 4.828 7.090 1.00 0.87 C ATOM 875 C LYS A 142 70.886 6.064 7.241 1.00 0.89 C ATOM 876 O LYS A 142 71.807 6.085 8.033 1.00 1.05 O ATOM 877 CB LYS A 142 70.714 3.743 6.285 1.00 0.89 C ATOM 878 CG LYS A 142 71.441 2.794 7.240 1.00 1.24 C ATOM 879 CD LYS A 142 72.196 1.735 6.434 1.00 1.26 C ATOM 880 CE LYS A 142 72.028 0.367 7.099 1.00 1.55 C ATOM 881 NZ LYS A 142 70.634 -0.047 6.777 1.00 1.99 N ATOM 0 H LYS A 142 68.777 4.793 5.339 1.00 0.75 H new ATOM 0 HA LYS A 142 69.748 4.492 8.097 1.00 0.87 H new ATOM 0 HB2 LYS A 142 69.996 3.188 5.681 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.426 4.198 5.596 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.136 3.354 7.866 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.725 2.315 7.908 1.00 1.24 H new ATOM 0 HD2 LYS A 142 71.817 1.703 5.412 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.253 1.994 6.374 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.752 -0.351 6.714 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.183 0.430 8.176 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 70.156 -0.361 7.645 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 70.118 0.759 6.370 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 70.654 -0.828 6.091 1.00 1.99 H new ATOM 895 N ASN A 143 70.618 7.095 6.486 1.00 0.85 N ATOM 896 CA ASN A 143 71.450 8.329 6.585 1.00 1.05 C ATOM 897 C ASN A 143 70.558 9.573 6.548 1.00 1.07 C ATOM 898 O ASN A 143 71.032 10.683 6.404 1.00 1.56 O ATOM 899 CB ASN A 143 72.363 8.289 5.360 1.00 1.08 C ATOM 900 CG ASN A 143 71.511 8.288 4.088 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.391 8.758 4.092 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.999 7.775 2.991 1.00 1.48 N ATOM 0 H ASN A 143 69.859 7.136 5.805 1.00 0.85 H new ATOM 0 HA ASN A 143 72.016 8.372 7.515 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.031 9.151 5.363 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.991 7.399 5.390 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.440 7.769 2.138 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.939 7.380 2.987 1.00 1.48 H new ATOM 909 N ASN A 144 69.272 9.398 6.678 1.00 0.78 N ATOM 910 CA ASN A 144 68.354 10.572 6.651 1.00 0.82 C ATOM 911 C ASN A 144 68.767 11.540 5.538 1.00 0.82 C ATOM 912 O ASN A 144 69.212 12.642 5.792 1.00 0.92 O ATOM 913 CB ASN A 144 68.514 11.230 8.022 1.00 0.95 C ATOM 914 CG ASN A 144 67.636 10.503 9.043 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.612 11.013 9.452 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.997 9.326 9.475 1.00 1.93 N ATOM 0 H ASN A 144 68.817 8.494 6.802 1.00 0.78 H new ATOM 0 HA ASN A 144 67.321 10.285 6.455 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.558 11.195 8.334 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.232 12.282 7.968 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.419 8.834 10.156 1.00 1.93 H new ATOM 0 HD22 ASN A 144 68.857 8.898 9.131 1.00 1.93 H new ATOM 923 N ASP A 145 68.621 11.137 4.304 1.00 0.75 N ATOM 924 CA ASP A 145 69.005 12.034 3.176 1.00 0.78 C ATOM 925 C ASP A 145 67.793 12.306 2.281 1.00 0.74 C ATOM 926 O ASP A 145 67.862 13.079 1.345 1.00 0.81 O ATOM 927 CB ASP A 145 70.078 11.265 2.405 1.00 0.76 C ATOM 928 CG ASP A 145 69.431 10.100 1.654 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.298 9.774 1.970 1.00 1.72 O ATOM 930 OD2 ASP A 145 70.079 9.556 0.776 1.00 1.85 O ATOM 0 H ASP A 145 68.253 10.226 4.029 1.00 0.75 H new ATOM 0 HA ASP A 145 69.368 13.002 3.523 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.582 11.929 1.703 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.837 10.892 3.092 1.00 0.76 H new ATOM 935 N GLY A 146 66.683 11.678 2.560 1.00 0.69 N ATOM 936 CA GLY A 146 65.470 11.903 1.724 1.00 0.70 C ATOM 937 C GLY A 146 65.313 10.752 0.727 1.00 0.58 C ATOM 938 O GLY A 146 64.231 10.240 0.523 1.00 0.62 O ATOM 0 H GLY A 146 66.564 11.020 3.330 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.586 11.971 2.358 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.554 12.850 1.191 1.00 0.70 H new ATOM 942 N ARG A 147 66.385 10.342 0.105 1.00 0.54 N ATOM 943 CA ARG A 147 66.292 9.225 -0.878 1.00 0.49 C ATOM 944 C ARG A 147 66.818 7.927 -0.258 1.00 0.44 C ATOM 945 O ARG A 147 67.553 7.941 0.709 1.00 0.56 O ATOM 946 CB ARG A 147 67.177 9.653 -2.050 1.00 0.57 C ATOM 947 CG ARG A 147 66.601 10.918 -2.689 1.00 0.78 C ATOM 948 CD ARG A 147 65.304 10.572 -3.423 1.00 0.73 C ATOM 949 NE ARG A 147 65.084 11.702 -4.367 1.00 1.07 N ATOM 950 CZ ARG A 147 65.471 11.599 -5.607 1.00 1.60 C ATOM 951 NH1 ARG A 147 66.604 11.017 -5.892 1.00 2.22 N ATOM 952 NH2 ARG A 147 64.726 12.080 -6.564 1.00 2.32 N ATOM 0 H ARG A 147 67.319 10.731 0.235 1.00 0.54 H new ATOM 0 HA ARG A 147 65.265 9.036 -1.189 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.194 9.839 -1.703 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.233 8.853 -2.788 1.00 0.57 H new ATOM 0 HG2 ARG A 147 66.409 11.670 -1.924 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.322 11.348 -3.385 1.00 0.78 H new ATOM 0 HD2 ARG A 147 65.392 9.625 -3.955 1.00 0.73 H new ATOM 0 HD3 ARG A 147 64.471 10.471 -2.727 1.00 0.73 H new ATOM 0 HE ARG A 147 64.631 12.556 -4.043 1.00 1.07 H new ATOM 0 HH11 ARG A 147 67.187 10.642 -5.144 1.00 2.22 H new ATOM 0 HH12 ARG A 147 66.906 10.937 -6.863 1.00 2.22 H new ATOM 0 HH21 ARG A 147 63.841 12.536 -6.341 1.00 2.32 H new ATOM 0 HH22 ARG A 147 65.028 12.000 -7.535 1.00 2.32 H new ATOM 966 N ILE A 148 66.449 6.804 -0.811 1.00 0.35 N ATOM 967 CA ILE A 148 66.930 5.505 -0.257 1.00 0.36 C ATOM 968 C ILE A 148 67.492 4.634 -1.386 1.00 0.40 C ATOM 969 O ILE A 148 66.891 4.493 -2.432 1.00 0.41 O ATOM 970 CB ILE A 148 65.689 4.862 0.380 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.542 5.371 1.819 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.832 3.335 0.395 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.521 4.512 2.572 1.00 0.40 C ATOM 0 H ILE A 148 65.835 6.729 -1.622 1.00 0.35 H new ATOM 0 HA ILE A 148 67.732 5.627 0.471 1.00 0.36 H new ATOM 0 HB ILE A 148 64.808 5.130 -0.203 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.506 5.336 2.327 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.222 6.413 1.815 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.946 2.891 0.849 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.938 2.969 -0.626 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.713 3.058 0.973 1.00 0.43 H new ATOM 0 HD11 ILE A 148 64.421 4.878 3.594 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.556 4.570 2.069 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.859 3.476 2.589 1.00 0.40 H new ATOM 985 N ASP A 149 68.637 4.044 -1.177 1.00 0.47 N ATOM 986 CA ASP A 149 69.231 3.176 -2.238 1.00 0.55 C ATOM 987 C ASP A 149 69.108 1.703 -1.841 1.00 0.58 C ATOM 988 O ASP A 149 68.435 1.363 -0.889 1.00 0.54 O ATOM 989 CB ASP A 149 70.705 3.591 -2.345 1.00 0.65 C ATOM 990 CG ASP A 149 71.287 3.847 -0.953 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.316 2.919 -0.162 1.00 2.00 O ATOM 992 OD2 ASP A 149 71.695 4.969 -0.701 1.00 2.16 O ATOM 0 H ASP A 149 69.187 4.124 -0.321 1.00 0.47 H new ATOM 0 HA ASP A 149 68.719 3.294 -3.193 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.275 2.809 -2.847 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.793 4.490 -2.955 1.00 0.65 H new ATOM 997 N TYR A 150 69.743 0.827 -2.567 1.00 0.67 N ATOM 998 CA TYR A 150 69.652 -0.625 -2.236 1.00 0.73 C ATOM 999 C TYR A 150 70.316 -0.912 -0.885 1.00 0.75 C ATOM 1000 O TYR A 150 70.226 -2.004 -0.359 1.00 0.76 O ATOM 1001 CB TYR A 150 70.404 -1.332 -3.364 1.00 0.84 C ATOM 1002 CG TYR A 150 70.264 -2.827 -3.206 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.992 -3.406 -3.131 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.407 -3.634 -3.137 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.863 -4.792 -2.986 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.276 -5.020 -2.992 1.00 2.14 C ATOM 1007 CZ TYR A 150 70.005 -5.600 -2.917 1.00 2.02 C ATOM 1008 OH TYR A 150 69.875 -6.966 -2.774 1.00 2.63 O ATOM 0 H TYR A 150 70.322 1.052 -3.376 1.00 0.67 H new ATOM 0 HA TYR A 150 68.619 -0.964 -2.154 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.008 -1.020 -4.330 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.457 -1.051 -3.345 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.111 -2.784 -3.185 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.388 -3.187 -3.196 1.00 1.74 H new ATOM 0 HE1 TYR A 150 67.882 -5.239 -2.927 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.157 -5.642 -2.938 1.00 2.14 H new ATOM 0 HH TYR A 150 70.764 -7.378 -2.744 1.00 2.63 H new ATOM 1018 N ASP A 151 70.984 0.056 -0.321 1.00 0.78 N ATOM 1019 CA ASP A 151 71.654 -0.170 0.995 1.00 0.82 C ATOM 1020 C ASP A 151 70.719 0.213 2.147 1.00 0.74 C ATOM 1021 O ASP A 151 70.611 -0.493 3.130 1.00 0.76 O ATOM 1022 CB ASP A 151 72.881 0.743 0.974 1.00 0.87 C ATOM 1023 CG ASP A 151 74.150 -0.106 0.865 1.00 1.31 C ATOM 1024 OD1 ASP A 151 74.221 -0.915 -0.046 1.00 1.67 O ATOM 1025 OD2 ASP A 151 75.028 0.067 1.694 1.00 2.08 O ATOM 0 H ASP A 151 71.096 0.992 -0.711 1.00 0.78 H new ATOM 0 HA ASP A 151 71.923 -1.216 1.145 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.819 1.433 0.132 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.913 1.348 1.880 1.00 0.87 H new ATOM 1030 N GLU A 152 70.046 1.326 2.038 1.00 0.67 N ATOM 1031 CA GLU A 152 69.125 1.751 3.132 1.00 0.61 C ATOM 1032 C GLU A 152 67.808 0.970 3.053 1.00 0.58 C ATOM 1033 O GLU A 152 67.231 0.606 4.058 1.00 0.58 O ATOM 1034 CB GLU A 152 68.878 3.241 2.887 1.00 0.59 C ATOM 1035 CG GLU A 152 70.205 3.936 2.578 1.00 0.76 C ATOM 1036 CD GLU A 152 70.091 5.426 2.909 1.00 0.75 C ATOM 1037 OE1 GLU A 152 70.095 5.754 4.084 1.00 1.39 O ATOM 1038 OE2 GLU A 152 70.002 6.213 1.981 1.00 1.20 O ATOM 0 H GLU A 152 70.094 1.959 1.240 1.00 0.67 H new ATOM 0 HA GLU A 152 69.546 1.563 4.120 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.184 3.373 2.057 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.415 3.692 3.764 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.008 3.484 3.160 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.460 3.805 1.526 1.00 0.76 H new ATOM 1045 N PHE A 153 67.330 0.714 1.867 1.00 0.60 N ATOM 1046 CA PHE A 153 66.052 -0.040 1.722 1.00 0.61 C ATOM 1047 C PHE A 153 66.216 -1.468 2.251 1.00 0.66 C ATOM 1048 O PHE A 153 65.280 -2.069 2.738 1.00 0.71 O ATOM 1049 CB PHE A 153 65.773 -0.053 0.218 1.00 0.64 C ATOM 1050 CG PHE A 153 64.544 -0.885 -0.059 1.00 0.68 C ATOM 1051 CD1 PHE A 153 63.273 -0.299 -0.001 1.00 1.47 C ATOM 1052 CD2 PHE A 153 64.674 -2.243 -0.374 1.00 1.18 C ATOM 1053 CE1 PHE A 153 62.133 -1.071 -0.259 1.00 1.55 C ATOM 1054 CE2 PHE A 153 63.534 -3.014 -0.631 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.265 -2.428 -0.573 1.00 0.93 C ATOM 0 H PHE A 153 67.769 0.995 0.990 1.00 0.60 H new ATOM 0 HA PHE A 153 65.237 0.414 2.286 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.626 0.964 -0.144 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.630 -0.461 -0.318 1.00 0.64 H new ATOM 0 HD1 PHE A 153 63.172 0.748 0.243 1.00 1.47 H new ATOM 0 HD2 PHE A 153 65.654 -2.696 -0.419 1.00 1.18 H new ATOM 0 HE1 PHE A 153 61.153 -0.619 -0.216 1.00 1.55 H new ATOM 0 HE2 PHE A 153 63.634 -4.061 -0.874 1.00 1.24 H new ATOM 0 HZ PHE A 153 61.386 -3.024 -0.771 1.00 0.93 H new ATOM 1065 N LEU A 154 67.397 -2.014 2.159 1.00 0.72 N ATOM 1066 CA LEU A 154 67.616 -3.402 2.657 1.00 0.80 C ATOM 1067 C LEU A 154 67.117 -3.534 4.098 1.00 0.79 C ATOM 1068 O LEU A 154 66.199 -4.277 4.381 1.00 0.82 O ATOM 1069 CB LEU A 154 69.130 -3.613 2.591 1.00 0.92 C ATOM 1070 CG LEU A 154 69.462 -4.595 1.467 1.00 0.85 C ATOM 1071 CD1 LEU A 154 69.028 -6.004 1.873 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.721 -4.181 0.194 1.00 1.54 C ATOM 0 H LEU A 154 68.219 -1.560 1.761 1.00 0.72 H new ATOM 0 HA LEU A 154 67.075 -4.142 2.067 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.633 -2.662 2.417 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.496 -3.997 3.543 1.00 0.92 H new ATOM 0 HG LEU A 154 70.536 -4.586 1.283 1.00 0.85 H new ATOM 0 HD11 LEU A 154 69.265 -6.703 1.071 1.00 1.74 H new ATOM 0 HD12 LEU A 154 69.555 -6.300 2.780 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.954 -6.015 2.058 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.957 -4.880 -0.608 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.647 -4.190 0.379 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.031 -3.177 -0.097 1.00 1.54 H new ATOM 1084 N GLU A 155 67.715 -2.818 5.012 1.00 0.79 N ATOM 1085 CA GLU A 155 67.271 -2.906 6.433 1.00 0.82 C ATOM 1086 C GLU A 155 65.831 -2.407 6.568 1.00 0.81 C ATOM 1087 O GLU A 155 65.112 -2.790 7.470 1.00 0.90 O ATOM 1088 CB GLU A 155 68.230 -2.000 7.207 1.00 0.85 C ATOM 1089 CG GLU A 155 68.239 -2.408 8.682 1.00 0.95 C ATOM 1090 CD GLU A 155 68.373 -1.161 9.558 1.00 1.67 C ATOM 1091 OE1 GLU A 155 67.716 -0.177 9.261 1.00 2.47 O ATOM 1092 OE2 GLU A 155 69.131 -1.213 10.514 1.00 2.27 O ATOM 0 H GLU A 155 68.490 -2.178 4.837 1.00 0.79 H new ATOM 0 HA GLU A 155 67.288 -3.929 6.808 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.235 -2.077 6.791 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.923 -0.959 7.109 1.00 0.85 H new ATOM 0 HG2 GLU A 155 67.320 -2.941 8.928 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.066 -3.092 8.876 1.00 0.95 H new ATOM 1099 N PHE A 156 65.402 -1.555 5.677 1.00 0.75 N ATOM 1100 CA PHE A 156 64.008 -1.033 5.757 1.00 0.78 C ATOM 1101 C PHE A 156 63.010 -2.193 5.830 1.00 0.84 C ATOM 1102 O PHE A 156 62.324 -2.373 6.815 1.00 0.90 O ATOM 1103 CB PHE A 156 63.810 -0.237 4.467 1.00 0.78 C ATOM 1104 CG PHE A 156 62.549 0.587 4.573 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.302 -0.046 4.640 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.628 1.985 4.604 1.00 1.66 C ATOM 1107 CE1 PHE A 156 60.134 0.718 4.739 1.00 1.31 C ATOM 1108 CE2 PHE A 156 61.459 2.749 4.703 1.00 1.77 C ATOM 1109 CZ PHE A 156 60.212 2.116 4.770 1.00 1.10 C ATOM 0 H PHE A 156 65.956 -1.198 4.898 1.00 0.75 H new ATOM 0 HA PHE A 156 63.847 -0.421 6.644 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.668 0.412 4.292 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.744 -0.914 3.615 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.242 -1.124 4.615 1.00 1.27 H new ATOM 0 HD2 PHE A 156 63.590 2.473 4.552 1.00 1.66 H new ATOM 0 HE1 PHE A 156 59.172 0.230 4.792 1.00 1.31 H new ATOM 0 HE2 PHE A 156 61.519 3.827 4.728 1.00 1.77 H new ATOM 0 HZ PHE A 156 59.310 2.706 4.846 1.00 1.10 H new ATOM 1119 N MET A 157 62.924 -2.981 4.792 1.00 0.86 N ATOM 1120 CA MET A 157 61.969 -4.126 4.801 1.00 0.95 C ATOM 1121 C MET A 157 62.472 -5.236 5.728 1.00 0.99 C ATOM 1122 O MET A 157 61.716 -6.081 6.164 1.00 1.12 O ATOM 1123 CB MET A 157 61.927 -4.616 3.352 1.00 0.99 C ATOM 1124 CG MET A 157 60.718 -5.533 3.159 1.00 1.28 C ATOM 1125 SD MET A 157 59.202 -4.619 3.535 1.00 1.48 S ATOM 1126 CE MET A 157 59.088 -3.714 1.971 1.00 1.12 C ATOM 0 H MET A 157 63.474 -2.881 3.939 1.00 0.86 H new ATOM 0 HA MET A 157 60.983 -3.836 5.165 1.00 0.95 H new ATOM 0 HB2 MET A 157 61.865 -3.767 2.671 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.845 -5.152 3.111 1.00 0.99 H new ATOM 0 HG2 MET A 157 60.688 -5.902 2.134 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.801 -6.404 3.809 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.548 -2.732 2.084 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.607 -4.270 1.190 1.00 1.12 H new ATOM 0 HE3 MET A 157 58.040 -3.595 1.695 1.00 1.12 H new ATOM 1136 N LYS A 158 63.741 -5.243 6.032 1.00 0.94 N ATOM 1137 CA LYS A 158 64.285 -6.303 6.930 1.00 1.02 C ATOM 1138 C LYS A 158 63.458 -6.384 8.215 1.00 1.05 C ATOM 1139 O LYS A 158 62.904 -7.414 8.543 1.00 1.20 O ATOM 1140 CB LYS A 158 65.717 -5.864 7.239 1.00 1.07 C ATOM 1141 CG LYS A 158 66.648 -6.331 6.118 1.00 1.26 C ATOM 1142 CD LYS A 158 67.101 -7.765 6.394 1.00 1.53 C ATOM 1143 CE LYS A 158 68.286 -7.750 7.362 1.00 1.45 C ATOM 1144 NZ LYS A 158 67.765 -8.359 8.617 1.00 2.07 N ATOM 0 H LYS A 158 64.424 -4.563 5.699 1.00 0.94 H new ATOM 0 HA LYS A 158 64.252 -7.291 6.470 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.763 -4.779 7.336 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.039 -6.283 8.192 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.133 -6.279 5.159 1.00 1.26 H new ATOM 0 HG3 LYS A 158 67.513 -5.672 6.051 1.00 1.26 H new ATOM 0 HD2 LYS A 158 66.279 -8.342 6.818 1.00 1.53 H new ATOM 0 HD3 LYS A 158 67.386 -8.253 5.462 1.00 1.53 H new ATOM 0 HE2 LYS A 158 69.127 -8.320 6.966 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.642 -6.734 7.534 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 68.232 -7.920 9.436 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 66.739 -8.203 8.679 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 67.960 -9.381 8.614 1.00 2.07 H new ATOM 1158 N GLY A 159 63.368 -5.306 8.945 1.00 1.04 N ATOM 1159 CA GLY A 159 62.575 -5.325 10.207 1.00 1.14 C ATOM 1160 C GLY A 159 61.314 -4.476 10.029 1.00 1.14 C ATOM 1161 O GLY A 159 61.072 -3.544 10.770 1.00 1.38 O ATOM 0 H GLY A 159 63.809 -4.414 8.722 1.00 1.04 H new ATOM 0 HA2 GLY A 159 62.304 -6.349 10.463 1.00 1.14 H new ATOM 0 HA3 GLY A 159 63.174 -4.938 11.031 1.00 1.14 H new ATOM 1165 N VAL A 160 60.511 -4.791 9.050 1.00 1.42 N ATOM 1166 CA VAL A 160 59.266 -4.000 8.823 1.00 1.48 C ATOM 1167 C VAL A 160 58.139 -4.921 8.340 1.00 1.88 C ATOM 1168 O VAL A 160 58.340 -5.780 7.506 1.00 2.37 O ATOM 1169 CB VAL A 160 59.642 -2.981 7.742 1.00 1.32 C ATOM 1170 CG1 VAL A 160 58.380 -2.467 7.044 1.00 1.35 C ATOM 1171 CG2 VAL A 160 60.374 -1.803 8.391 1.00 1.49 C ATOM 0 H VAL A 160 60.662 -5.561 8.398 1.00 1.42 H new ATOM 0 HA VAL A 160 58.906 -3.514 9.730 1.00 1.48 H new ATOM 0 HB VAL A 160 60.288 -3.461 7.007 1.00 1.32 H new ATOM 0 HG11 VAL A 160 58.657 -1.743 6.277 1.00 1.35 H new ATOM 0 HG12 VAL A 160 57.854 -3.302 6.581 1.00 1.35 H new ATOM 0 HG13 VAL A 160 57.729 -1.989 7.776 1.00 1.35 H new ATOM 0 HG21 VAL A 160 60.643 -1.076 7.625 1.00 1.49 H new ATOM 0 HG22 VAL A 160 59.723 -1.331 9.127 1.00 1.49 H new ATOM 0 HG23 VAL A 160 61.277 -2.163 8.883 1.00 1.49 H new ATOM 1181 N GLU A 161 56.954 -4.744 8.860 1.00 2.17 N ATOM 1182 CA GLU A 161 55.814 -5.605 8.431 1.00 2.67 C ATOM 1183 C GLU A 161 54.637 -4.738 7.976 1.00 3.21 C ATOM 1184 O GLU A 161 53.563 -5.283 7.787 1.00 3.74 O ATOM 1185 CB GLU A 161 55.436 -6.412 9.674 1.00 3.19 C ATOM 1186 CG GLU A 161 55.081 -5.457 10.815 1.00 3.64 C ATOM 1187 CD GLU A 161 53.894 -6.017 11.600 1.00 4.40 C ATOM 1188 OE1 GLU A 161 54.119 -6.849 12.462 1.00 4.73 O ATOM 1189 OE2 GLU A 161 52.780 -5.603 11.324 1.00 5.03 O ATOM 1190 OXT GLU A 161 54.832 -3.542 7.826 1.00 3.58 O ATOM 0 H GLU A 161 56.726 -4.041 9.563 1.00 2.17 H new ATOM 0 HA GLU A 161 56.077 -6.249 7.592 1.00 2.67 H new ATOM 0 HB2 GLU A 161 54.590 -7.063 9.454 1.00 3.19 H new ATOM 0 HB3 GLU A 161 56.265 -7.055 9.969 1.00 3.19 H new ATOM 0 HG2 GLU A 161 55.939 -5.328 11.475 1.00 3.64 H new ATOM 0 HG3 GLU A 161 54.835 -4.473 10.416 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 63.172 7.754 -6.531 1.00 0.50 CA HETATM 1199 CA CA A 2 68.575 7.650 2.776 1.00 0.74 CA