USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -160:sc= -0.0867 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 121:sc= -0.761 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot 10:sc= -1.59! USER MOD Single : A 127 TYR OH : rot 70:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.487 K(o=-0.49,f=-3!) USER MOD Single : A 136 GLN :FLIP amide:sc= -0.0363 F(o=-0.54,f=-0.036) USER MOD Single : A 137 ASN : amide:sc= -0.243 K(o=-0.24,f=-2.7!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0564 USER MOD ----------------------------------------------------------------- ATOM 35 N TRP A 92 -2.828 9.323 -3.045 1.00 7.74 N ATOM 36 CA TRP A 92 -3.066 8.062 -2.346 1.00 7.12 C ATOM 37 C TRP A 92 -4.048 8.254 -1.195 1.00 7.81 C ATOM 38 O TRP A 92 -3.870 9.135 -0.353 1.00 8.60 O ATOM 39 CB TRP A 92 -1.750 7.491 -1.812 1.00 6.73 C ATOM 40 CG TRP A 92 -0.861 6.939 -2.884 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.406 7.346 -3.185 1.00 6.47 C ATOM 42 CD2 TRP A 92 -1.171 5.878 -3.796 1.00 5.26 C ATOM 43 NE1 TRP A 92 0.904 6.604 -4.229 1.00 5.95 N ATOM 44 CE2 TRP A 92 -0.046 5.697 -4.621 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.290 5.066 -3.996 1.00 4.81 C ATOM 46 CZ2 TRP A 92 -0.007 4.736 -5.629 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.251 4.111 -4.996 1.00 4.27 C ATOM 48 CH2 TRP A 92 -1.116 3.954 -5.802 1.00 4.18 C ATOM 0 HA TRP A 92 -3.498 7.360 -3.059 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -1.215 8.274 -1.274 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -1.970 6.703 -1.092 1.00 6.73 H new ATOM 0 HD1 TRP A 92 0.940 8.136 -2.677 1.00 6.47 H new ATOM 0 HE1 TRP A 92 1.829 6.711 -4.644 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -3.170 5.182 -3.381 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 0.867 4.613 -6.251 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -3.110 3.476 -5.158 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -1.117 3.200 -6.576 1.00 4.18 H new ATOM 59 N LYS A 93 -5.088 7.424 -1.165 1.00 7.67 N ATOM 60 CA LYS A 93 -6.101 7.499 -0.116 1.00 8.46 C ATOM 61 C LYS A 93 -6.593 6.105 0.261 1.00 8.08 C ATOM 62 O LYS A 93 -6.435 5.154 -0.505 1.00 7.25 O ATOM 63 CB LYS A 93 -7.284 8.364 -0.569 1.00 9.25 C ATOM 64 CG LYS A 93 -7.144 8.914 -1.982 1.00 10.03 C ATOM 65 CD LYS A 93 -7.251 10.431 -2.002 1.00 10.80 C ATOM 66 CE LYS A 93 -8.698 10.887 -2.087 1.00 11.72 C ATOM 67 NZ LYS A 93 -8.917 11.838 -3.210 1.00 12.39 N ATOM 0 H LYS A 93 -5.251 6.691 -1.856 1.00 7.67 H new ATOM 0 HA LYS A 93 -5.644 7.958 0.761 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -8.197 7.772 -0.509 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -7.398 9.197 0.124 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -6.184 8.610 -2.398 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -7.918 8.485 -2.619 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -6.792 10.841 -1.102 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -6.694 10.825 -2.852 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -9.345 10.019 -2.215 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -8.984 11.362 -1.149 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -9.917 12.124 -3.233 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -8.319 12.678 -3.075 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -8.669 11.377 -4.109 1.00 12.39 H new ATOM 81 N VAL A 94 -7.188 5.992 1.447 1.00 8.81 N ATOM 82 CA VAL A 94 -7.702 4.710 1.923 1.00 8.73 C ATOM 83 C VAL A 94 -8.696 4.118 0.931 1.00 8.69 C ATOM 84 O VAL A 94 -9.562 4.821 0.410 1.00 9.36 O ATOM 85 CB VAL A 94 -8.389 4.845 3.296 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.564 3.480 3.942 1.00 9.66 C ATOM 87 CG2 VAL A 94 -7.601 5.779 4.205 1.00 10.15 C ATOM 0 H VAL A 94 -7.326 6.769 2.093 1.00 8.81 H new ATOM 0 HA VAL A 94 -6.843 4.046 2.022 1.00 8.73 H new ATOM 0 HB VAL A 94 -9.377 5.279 3.143 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -9.051 3.596 4.910 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -9.179 2.850 3.300 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.588 3.015 4.080 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -8.104 5.859 5.168 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -6.597 5.382 4.352 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -7.537 6.765 3.746 1.00 10.15 H new ATOM 97 N GLY A 95 -8.555 2.824 0.664 1.00 8.04 N ATOM 98 CA GLY A 95 -9.438 2.158 -0.273 1.00 8.20 C ATOM 99 C GLY A 95 -9.072 2.467 -1.709 1.00 7.64 C ATOM 100 O GLY A 95 -9.779 3.209 -2.391 1.00 8.10 O ATOM 0 H GLY A 95 -7.843 2.224 1.081 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.394 1.081 -0.111 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.466 2.467 -0.086 1.00 8.20 H new ATOM 104 N ASP A 96 -7.959 1.902 -2.166 1.00 6.70 N ATOM 105 CA ASP A 96 -7.492 2.125 -3.529 1.00 6.20 C ATOM 106 C ASP A 96 -6.702 0.924 -4.039 1.00 5.53 C ATOM 107 O ASP A 96 -5.803 0.424 -3.359 1.00 4.92 O ATOM 108 CB ASP A 96 -6.624 3.382 -3.589 1.00 5.87 C ATOM 109 CG ASP A 96 -6.967 4.267 -4.772 1.00 6.35 C ATOM 110 OD1 ASP A 96 -6.483 3.982 -5.887 1.00 6.81 O ATOM 111 OD2 ASP A 96 -7.721 5.245 -4.583 1.00 6.44 O ATOM 0 H ASP A 96 -7.364 1.286 -1.612 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.364 2.260 -4.169 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.747 3.950 -2.667 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -5.575 3.093 -3.647 1.00 5.87 H new ATOM 116 N LYS A 97 -7.044 0.468 -5.239 1.00 5.83 N ATOM 117 CA LYS A 97 -6.370 -0.672 -5.849 1.00 5.62 C ATOM 118 C LYS A 97 -4.963 -0.293 -6.297 1.00 4.80 C ATOM 119 O LYS A 97 -4.783 0.370 -7.319 1.00 4.86 O ATOM 120 CB LYS A 97 -7.176 -1.183 -7.043 1.00 6.55 C ATOM 121 CG LYS A 97 -7.851 -2.519 -6.790 1.00 7.39 C ATOM 122 CD LYS A 97 -7.112 -3.654 -7.478 1.00 7.70 C ATOM 123 CE LYS A 97 -7.552 -5.008 -6.945 1.00 8.21 C ATOM 124 NZ LYS A 97 -8.529 -5.671 -7.852 1.00 9.10 N ATOM 0 H LYS A 97 -7.786 0.872 -5.810 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.294 -1.463 -5.103 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -7.935 -0.445 -7.302 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.515 -1.276 -7.905 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -7.894 -2.709 -5.718 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -8.879 -2.482 -7.149 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -7.292 -3.609 -8.552 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -6.039 -3.534 -7.329 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -6.680 -5.650 -6.820 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -7.999 -4.882 -5.959 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -8.804 -6.591 -7.453 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -9.373 -5.071 -7.952 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -8.094 -5.815 -8.786 1.00 9.10 H new ATOM 138 N CYS A 98 -3.968 -0.715 -5.524 1.00 4.16 N ATOM 139 CA CYS A 98 -2.577 -0.419 -5.841 1.00 3.60 C ATOM 140 C CYS A 98 -1.768 -1.705 -5.991 1.00 3.78 C ATOM 141 O CYS A 98 -2.329 -2.800 -6.046 1.00 4.46 O ATOM 142 CB CYS A 98 -1.962 0.460 -4.750 1.00 2.97 C ATOM 143 SG CYS A 98 -1.469 -0.445 -3.263 1.00 2.58 S ATOM 0 H CYS A 98 -4.100 -1.263 -4.674 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.551 0.118 -6.789 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -1.089 0.970 -5.158 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.680 1.231 -4.472 1.00 2.97 H new ATOM 0 HG CYS A 98 -1.362 0.383 -2.266 1.00 2.58 H new ATOM 149 N SER A 99 -0.448 -1.561 -6.056 1.00 3.54 N ATOM 150 CA SER A 99 0.439 -2.709 -6.198 1.00 4.08 C ATOM 151 C SER A 99 1.628 -2.593 -5.249 1.00 3.73 C ATOM 152 O SER A 99 2.227 -1.525 -5.118 1.00 3.54 O ATOM 153 CB SER A 99 0.930 -2.824 -7.642 1.00 5.02 C ATOM 154 OG SER A 99 -0.015 -3.505 -8.450 1.00 5.76 O ATOM 0 H SER A 99 0.030 -0.661 -6.013 1.00 3.54 H new ATOM 0 HA SER A 99 -0.122 -3.608 -5.942 1.00 4.08 H new ATOM 0 HB2 SER A 99 1.110 -1.829 -8.048 1.00 5.02 H new ATOM 0 HB3 SER A 99 1.882 -3.355 -7.665 1.00 5.02 H new ATOM 0 HG SER A 99 0.322 -3.564 -9.368 1.00 5.76 H new ATOM 160 N ALA A 100 1.962 -3.695 -4.586 1.00 3.97 N ATOM 161 CA ALA A 100 3.076 -3.711 -3.647 1.00 3.95 C ATOM 162 C ALA A 100 3.945 -4.949 -3.835 1.00 4.93 C ATOM 163 O ALA A 100 3.457 -6.012 -4.220 1.00 5.47 O ATOM 164 CB ALA A 100 2.559 -3.639 -2.218 1.00 3.19 C ATOM 0 H ALA A 100 1.477 -4.587 -4.682 1.00 3.97 H new ATOM 0 HA ALA A 100 3.696 -2.837 -3.846 1.00 3.95 H new ATOM 0 HB1 ALA A 100 3.401 -3.652 -1.525 1.00 3.19 H new ATOM 0 HB2 ALA A 100 1.991 -2.718 -2.082 1.00 3.19 H new ATOM 0 HB3 ALA A 100 1.914 -4.495 -2.021 1.00 3.19 H new ATOM 170 N ILE A 101 5.236 -4.800 -3.559 1.00 5.36 N ATOM 171 CA ILE A 101 6.185 -5.900 -3.692 1.00 6.34 C ATOM 172 C ILE A 101 6.170 -6.786 -2.449 1.00 6.26 C ATOM 173 O ILE A 101 6.105 -6.290 -1.324 1.00 5.81 O ATOM 174 CB ILE A 101 7.619 -5.380 -3.922 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.632 -4.315 -5.020 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.550 -6.528 -4.280 1.00 8.16 C ATOM 177 CD1 ILE A 101 8.513 -3.128 -4.702 1.00 7.47 C ATOM 0 H ILE A 101 5.651 -3.924 -3.240 1.00 5.36 H new ATOM 0 HA ILE A 101 5.877 -6.485 -4.558 1.00 6.34 H new ATOM 0 HB ILE A 101 7.974 -4.925 -2.997 1.00 7.10 H new ATOM 0 HG12 ILE A 101 7.971 -4.769 -5.951 1.00 7.16 H new ATOM 0 HG13 ILE A 101 6.613 -3.966 -5.188 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.557 -6.143 -4.439 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.563 -7.253 -3.467 1.00 8.16 H new ATOM 0 HG23 ILE A 101 8.198 -7.011 -5.192 1.00 8.16 H new ATOM 0 HD11 ILE A 101 8.473 -2.414 -5.525 1.00 7.47 H new ATOM 0 HD12 ILE A 101 8.162 -2.649 -3.788 1.00 7.47 H new ATOM 0 HD13 ILE A 101 9.540 -3.464 -4.563 1.00 7.47 H new ATOM 189 N TRP A 102 6.231 -8.098 -2.659 1.00 6.86 N ATOM 190 CA TRP A 102 6.228 -9.047 -1.551 1.00 6.96 C ATOM 191 C TRP A 102 7.647 -9.320 -1.066 1.00 7.60 C ATOM 192 O TRP A 102 8.563 -9.511 -1.867 1.00 8.38 O ATOM 193 CB TRP A 102 5.556 -10.358 -1.971 1.00 7.61 C ATOM 194 CG TRP A 102 4.961 -11.126 -0.827 1.00 7.54 C ATOM 195 CD1 TRP A 102 4.822 -10.705 0.466 1.00 6.89 C ATOM 196 CD2 TRP A 102 4.424 -12.454 -0.873 1.00 8.31 C ATOM 197 NE1 TRP A 102 4.231 -11.688 1.223 1.00 7.22 N ATOM 198 CE2 TRP A 102 3.977 -12.771 0.423 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.278 -13.405 -1.888 1.00 9.26 C ATOM 200 CZ2 TRP A 102 3.394 -13.999 0.732 1.00 8.82 C ATOM 201 CZ3 TRP A 102 3.699 -14.623 -1.579 1.00 9.95 C ATOM 202 CH2 TRP A 102 3.263 -14.910 -0.281 1.00 9.73 C ATOM 0 H TRP A 102 6.283 -8.527 -3.583 1.00 6.86 H new ATOM 0 HA TRP A 102 5.661 -8.606 -0.731 1.00 6.96 H new ATOM 0 HB2 TRP A 102 4.772 -10.138 -2.696 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.290 -10.986 -2.476 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.132 -9.740 0.839 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.016 -11.622 2.218 1.00 7.22 H new ATOM 0 HE3 TRP A 102 4.611 -13.193 -2.893 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 3.058 -14.223 1.734 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 3.581 -15.366 -2.354 1.00 9.95 H new ATOM 0 HH2 TRP A 102 2.814 -15.870 -0.074 1.00 9.73 H new ATOM 213 N SER A 103 7.823 -9.332 0.253 1.00 7.36 N ATOM 214 CA SER A 103 9.130 -9.579 0.850 1.00 8.04 C ATOM 215 C SER A 103 9.402 -11.077 0.975 1.00 8.76 C ATOM 216 O SER A 103 10.027 -11.526 1.936 1.00 9.24 O ATOM 217 CB SER A 103 9.216 -8.914 2.226 1.00 7.63 C ATOM 218 OG SER A 103 10.202 -7.895 2.241 1.00 7.51 O ATOM 0 H SER A 103 7.075 -9.173 0.928 1.00 7.36 H new ATOM 0 HA SER A 103 9.888 -9.148 0.196 1.00 8.04 H new ATOM 0 HB2 SER A 103 8.247 -8.490 2.489 1.00 7.63 H new ATOM 0 HB3 SER A 103 9.452 -9.664 2.981 1.00 7.63 H new ATOM 0 HG SER A 103 10.235 -7.485 3.131 1.00 7.51 H new ATOM 224 N GLU A 104 8.930 -11.841 -0.004 1.00 8.96 N ATOM 225 CA GLU A 104 9.122 -13.287 -0.007 1.00 9.78 C ATOM 226 C GLU A 104 9.752 -13.746 -1.317 1.00 10.72 C ATOM 227 O GLU A 104 10.493 -14.730 -1.352 1.00 11.50 O ATOM 228 CB GLU A 104 7.788 -14.000 0.210 1.00 9.65 C ATOM 229 CG GLU A 104 7.248 -13.860 1.625 1.00 9.77 C ATOM 230 CD GLU A 104 8.139 -14.524 2.656 1.00 10.55 C ATOM 231 OE1 GLU A 104 8.834 -15.499 2.300 1.00 10.87 O ATOM 232 OE2 GLU A 104 8.142 -14.070 3.819 1.00 10.99 O ATOM 0 H GLU A 104 8.411 -11.483 -0.806 1.00 8.96 H new ATOM 0 HA GLU A 104 9.797 -13.542 0.810 1.00 9.78 H new ATOM 0 HB2 GLU A 104 7.054 -13.602 -0.491 1.00 9.65 H new ATOM 0 HB3 GLU A 104 7.909 -15.058 -0.021 1.00 9.65 H new ATOM 0 HG2 GLU A 104 7.144 -12.802 1.867 1.00 9.77 H new ATOM 0 HG3 GLU A 104 6.251 -14.298 1.675 1.00 9.77 H new ATOM 239 N ASP A 105 9.454 -13.024 -2.393 1.00 10.68 N ATOM 240 CA ASP A 105 9.989 -13.350 -3.709 1.00 11.61 C ATOM 241 C ASP A 105 10.381 -12.083 -4.460 1.00 11.51 C ATOM 242 O ASP A 105 11.065 -12.141 -5.482 1.00 12.31 O ATOM 243 CB ASP A 105 8.959 -14.141 -4.519 1.00 12.02 C ATOM 244 CG ASP A 105 7.534 -13.778 -4.152 1.00 12.58 C ATOM 245 OD1 ASP A 105 7.222 -12.570 -4.099 1.00 12.80 O ATOM 246 OD2 ASP A 105 6.728 -14.703 -3.918 1.00 12.93 O ATOM 0 H ASP A 105 8.843 -12.207 -2.378 1.00 10.68 H new ATOM 0 HA ASP A 105 10.880 -13.963 -3.573 1.00 11.61 H new ATOM 0 HB2 ASP A 105 9.116 -13.956 -5.582 1.00 12.02 H new ATOM 0 HB3 ASP A 105 9.113 -15.208 -4.355 1.00 12.02 H new ATOM 251 N GLY A 106 9.943 -10.939 -3.944 1.00 10.59 N ATOM 252 CA GLY A 106 10.253 -9.669 -4.575 1.00 10.51 C ATOM 253 C GLY A 106 9.586 -9.518 -5.927 1.00 10.58 C ATOM 254 O GLY A 106 10.260 -9.411 -6.950 1.00 11.27 O ATOM 0 H GLY A 106 9.378 -10.869 -3.098 1.00 10.59 H new ATOM 0 HA2 GLY A 106 9.935 -8.855 -3.923 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.333 -9.579 -4.694 1.00 10.51 H new ATOM 258 N CYS A 107 8.256 -9.513 -5.930 1.00 9.96 N ATOM 259 CA CYS A 107 7.495 -9.378 -7.168 1.00 10.08 C ATOM 260 C CYS A 107 6.281 -8.477 -6.968 1.00 9.03 C ATOM 261 O CYS A 107 5.897 -8.175 -5.837 1.00 8.22 O ATOM 262 CB CYS A 107 7.048 -10.752 -7.664 1.00 10.82 C ATOM 263 SG CYS A 107 8.063 -11.420 -9.003 1.00 12.07 S ATOM 0 H CYS A 107 7.684 -9.601 -5.090 1.00 9.96 H new ATOM 0 HA CYS A 107 8.143 -8.920 -7.916 1.00 10.08 H new ATOM 0 HB2 CYS A 107 7.063 -11.451 -6.828 1.00 10.82 H new ATOM 0 HB3 CYS A 107 6.015 -10.685 -8.005 1.00 10.82 H new ATOM 0 HG CYS A 107 7.607 -12.586 -9.353 1.00 12.07 H new ATOM 269 N ILE A 108 5.681 -8.050 -8.075 1.00 9.09 N ATOM 270 CA ILE A 108 4.510 -7.181 -8.027 1.00 8.18 C ATOM 271 C ILE A 108 3.226 -7.986 -7.865 1.00 8.20 C ATOM 272 O ILE A 108 2.933 -8.874 -8.668 1.00 9.05 O ATOM 273 CB ILE A 108 4.399 -6.318 -9.300 1.00 8.31 C ATOM 274 CG1 ILE A 108 5.765 -5.741 -9.675 1.00 8.80 C ATOM 275 CG2 ILE A 108 3.383 -5.204 -9.097 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.235 -6.155 -11.053 1.00 9.51 C ATOM 0 H ILE A 108 5.987 -8.292 -9.017 1.00 9.09 H new ATOM 0 HA ILE A 108 4.639 -6.532 -7.161 1.00 8.18 H new ATOM 0 HB ILE A 108 4.058 -6.950 -10.120 1.00 8.31 H new ATOM 0 HG12 ILE A 108 5.717 -4.653 -9.627 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.501 -6.060 -8.937 1.00 8.80 H new ATOM 0 HG21 ILE A 108 3.316 -4.603 -10.004 1.00 7.33 H new ATOM 0 HG22 ILE A 108 2.408 -5.637 -8.875 1.00 7.33 H new ATOM 0 HG23 ILE A 108 3.697 -4.572 -8.266 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.210 -5.710 -11.254 1.00 9.51 H new ATOM 0 HD12 ILE A 108 6.315 -7.241 -11.099 1.00 9.51 H new ATOM 0 HD13 ILE A 108 5.519 -5.812 -11.800 1.00 9.51 H new ATOM 288 N TYR A 109 2.462 -7.671 -6.823 1.00 7.40 N ATOM 289 CA TYR A 109 1.206 -8.364 -6.557 1.00 7.58 C ATOM 290 C TYR A 109 0.098 -7.369 -6.210 1.00 6.75 C ATOM 291 O TYR A 109 0.366 -6.301 -5.659 1.00 5.79 O ATOM 292 CB TYR A 109 1.384 -9.367 -5.416 1.00 7.78 C ATOM 293 CG TYR A 109 2.375 -10.467 -5.724 1.00 8.74 C ATOM 294 CD1 TYR A 109 2.058 -11.481 -6.619 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.625 -10.491 -5.119 1.00 9.05 C ATOM 296 CE1 TYR A 109 2.960 -12.489 -6.902 1.00 10.35 C ATOM 297 CE2 TYR A 109 4.532 -11.496 -5.398 1.00 9.98 C ATOM 298 CZ TYR A 109 4.199 -12.488 -6.292 1.00 10.60 C ATOM 299 OH TYR A 109 5.097 -13.493 -6.569 1.00 11.54 O ATOM 0 H TYR A 109 2.691 -6.940 -6.149 1.00 7.40 H new ATOM 0 HA TYR A 109 0.917 -8.901 -7.460 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.712 -8.834 -4.523 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.418 -9.815 -5.183 1.00 7.78 H new ATOM 0 HD1 TYR A 109 1.092 -11.482 -7.101 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.892 -9.712 -4.420 1.00 9.05 H new ATOM 0 HE1 TYR A 109 2.697 -13.273 -7.596 1.00 10.35 H new ATOM 0 HE2 TYR A 109 5.499 -11.503 -4.916 1.00 9.98 H new ATOM 0 HH TYR A 109 4.953 -13.818 -7.482 1.00 11.54 H new ATOM 309 N PRO A 110 -1.166 -7.706 -6.528 1.00 7.22 N ATOM 310 CA PRO A 110 -2.311 -6.832 -6.244 1.00 6.71 C ATOM 311 C PRO A 110 -2.445 -6.525 -4.756 1.00 6.03 C ATOM 312 O PRO A 110 -2.285 -7.409 -3.913 1.00 6.34 O ATOM 313 CB PRO A 110 -3.521 -7.641 -6.728 1.00 7.77 C ATOM 314 CG PRO A 110 -2.963 -8.643 -7.680 1.00 8.66 C ATOM 315 CD PRO A 110 -1.581 -8.958 -7.185 1.00 8.42 C ATOM 0 HA PRO A 110 -2.209 -5.864 -6.734 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -4.028 -8.128 -5.895 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -4.254 -6.999 -7.216 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.581 -9.540 -7.709 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -2.933 -8.244 -8.694 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -1.584 -9.797 -6.489 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -0.911 -9.225 -8.003 1.00 8.42 H new ATOM 323 N ALA A 111 -2.736 -5.268 -4.439 1.00 5.22 N ATOM 324 CA ALA A 111 -2.889 -4.848 -3.052 1.00 4.71 C ATOM 325 C ALA A 111 -4.027 -3.845 -2.899 1.00 4.65 C ATOM 326 O ALA A 111 -4.472 -3.241 -3.876 1.00 4.72 O ATOM 327 CB ALA A 111 -1.586 -4.255 -2.537 1.00 3.76 C ATOM 0 H ALA A 111 -2.870 -4.524 -5.123 1.00 5.22 H new ATOM 0 HA ALA A 111 -3.138 -5.727 -2.458 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -1.712 -3.945 -1.500 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -0.796 -5.004 -2.598 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -1.315 -3.391 -3.144 1.00 3.76 H new ATOM 333 N THR A 112 -4.488 -3.670 -1.666 1.00 4.78 N ATOM 334 CA THR A 112 -5.569 -2.735 -1.376 1.00 5.14 C ATOM 335 C THR A 112 -5.250 -1.914 -0.133 1.00 4.91 C ATOM 336 O THR A 112 -5.156 -2.453 0.971 1.00 5.15 O ATOM 337 CB THR A 112 -6.908 -3.467 -1.165 1.00 6.32 C ATOM 338 OG1 THR A 112 -6.925 -4.687 -1.915 1.00 6.81 O ATOM 339 CG2 THR A 112 -8.078 -2.589 -1.590 1.00 6.83 C ATOM 0 H THR A 112 -4.129 -4.164 -0.849 1.00 4.78 H new ATOM 0 HA THR A 112 -5.662 -2.075 -2.238 1.00 5.14 H new ATOM 0 HB THR A 112 -7.009 -3.693 -0.103 1.00 6.32 H new ATOM 0 HG1 THR A 112 -7.779 -5.146 -1.773 1.00 6.81 H new ATOM 0 HG21 THR A 112 -9.013 -3.127 -1.432 1.00 6.83 H new ATOM 0 HG22 THR A 112 -8.081 -1.674 -0.997 1.00 6.83 H new ATOM 0 HG23 THR A 112 -7.979 -2.337 -2.646 1.00 6.83 H new ATOM 347 N ILE A 113 -5.075 -0.610 -0.318 1.00 4.70 N ATOM 348 CA ILE A 113 -4.757 0.284 0.789 1.00 4.93 C ATOM 349 C ILE A 113 -5.839 0.251 1.864 1.00 6.00 C ATOM 350 O ILE A 113 -6.951 0.732 1.654 1.00 6.70 O ATOM 351 CB ILE A 113 -4.572 1.734 0.302 1.00 4.99 C ATOM 352 CG1 ILE A 113 -3.425 1.810 -0.708 1.00 4.08 C ATOM 353 CG2 ILE A 113 -4.309 2.662 1.479 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.649 2.832 -1.800 1.00 4.34 C ATOM 0 H ILE A 113 -5.148 -0.149 -1.225 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.821 -0.071 1.219 1.00 4.93 H new ATOM 0 HB ILE A 113 -5.490 2.056 -0.189 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.502 2.050 -0.180 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -3.286 0.829 -1.162 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -4.181 3.682 1.117 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -5.153 2.625 2.167 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -3.404 2.345 1.997 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.797 2.831 -2.479 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -4.554 2.581 -2.353 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.758 3.821 -1.356 1.00 4.34 H new ATOM 366 N ALA A 114 -5.505 -0.329 3.013 1.00 6.19 N ATOM 367 CA ALA A 114 -6.447 -0.432 4.121 1.00 7.25 C ATOM 368 C ALA A 114 -6.313 0.749 5.077 1.00 7.83 C ATOM 369 O ALA A 114 -7.311 1.279 5.563 1.00 8.77 O ATOM 370 CB ALA A 114 -6.244 -1.744 4.864 1.00 7.35 C ATOM 0 H ALA A 114 -4.588 -0.735 3.200 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.456 -0.412 3.708 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -6.953 -1.809 5.689 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.405 -2.578 4.181 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -5.228 -1.787 5.255 1.00 7.35 H new ATOM 376 N SER A 115 -5.076 1.155 5.349 1.00 7.42 N ATOM 377 CA SER A 115 -4.822 2.274 6.251 1.00 8.19 C ATOM 378 C SER A 115 -3.587 3.056 5.813 1.00 7.84 C ATOM 379 O SER A 115 -2.645 2.487 5.265 1.00 6.96 O ATOM 380 CB SER A 115 -4.638 1.770 7.684 1.00 8.69 C ATOM 381 OG SER A 115 -4.169 0.432 7.698 1.00 9.20 O ATOM 0 H SER A 115 -4.236 0.727 4.959 1.00 7.42 H new ATOM 0 HA SER A 115 -5.684 2.940 6.215 1.00 8.19 H new ATOM 0 HB2 SER A 115 -3.932 2.412 8.211 1.00 8.69 H new ATOM 0 HB3 SER A 115 -5.586 1.832 8.219 1.00 8.69 H new ATOM 0 HG SER A 115 -3.312 0.391 8.172 1.00 9.20 H new ATOM 387 N ILE A 116 -3.600 4.363 6.056 1.00 8.68 N ATOM 388 CA ILE A 116 -2.479 5.220 5.685 1.00 8.72 C ATOM 389 C ILE A 116 -2.058 6.116 6.843 1.00 9.82 C ATOM 390 O ILE A 116 -2.898 6.653 7.564 1.00 10.64 O ATOM 391 CB ILE A 116 -2.827 6.116 4.478 1.00 8.70 C ATOM 392 CG1 ILE A 116 -3.063 5.268 3.230 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.718 7.131 4.230 1.00 8.99 C ATOM 394 CD1 ILE A 116 -3.488 6.078 2.028 1.00 7.79 C ATOM 0 H ILE A 116 -4.373 4.851 6.508 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.658 4.554 5.419 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.746 6.656 4.705 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -2.148 4.726 2.989 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -3.828 4.522 3.446 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.980 7.755 3.375 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -1.595 7.758 5.113 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.785 6.607 4.024 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -3.639 5.414 1.177 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.419 6.599 2.251 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -2.713 6.806 1.788 1.00 7.79 H new ATOM 406 N ASP A 117 -0.749 6.285 7.003 1.00 9.92 N ATOM 407 CA ASP A 117 -0.215 7.132 8.059 1.00 11.01 C ATOM 408 C ASP A 117 0.742 8.162 7.471 1.00 11.42 C ATOM 409 O ASP A 117 1.605 7.830 6.658 1.00 11.09 O ATOM 410 CB ASP A 117 0.498 6.287 9.116 1.00 11.04 C ATOM 411 CG ASP A 117 -0.404 5.228 9.716 1.00 11.32 C ATOM 412 OD1 ASP A 117 -1.605 5.509 9.908 1.00 11.44 O ATOM 413 OD2 ASP A 117 0.091 4.114 9.993 1.00 11.56 O ATOM 0 H ASP A 117 -0.041 5.846 6.414 1.00 9.92 H new ATOM 0 HA ASP A 117 -1.043 7.654 8.538 1.00 11.01 H new ATOM 0 HB2 ASP A 117 1.368 5.807 8.667 1.00 11.04 H new ATOM 0 HB3 ASP A 117 0.867 6.938 9.909 1.00 11.04 H new ATOM 418 N PHE A 118 0.580 9.416 7.880 1.00 12.23 N ATOM 419 CA PHE A 118 1.425 10.497 7.384 1.00 12.79 C ATOM 420 C PHE A 118 2.582 10.777 8.337 1.00 13.61 C ATOM 421 O PHE A 118 3.283 11.779 8.197 1.00 14.24 O ATOM 422 CB PHE A 118 0.594 11.764 7.183 1.00 13.45 C ATOM 423 CG PHE A 118 -0.489 11.609 6.155 1.00 12.78 C ATOM 424 CD1 PHE A 118 -1.738 11.127 6.513 1.00 12.56 C ATOM 425 CD2 PHE A 118 -0.258 11.946 4.831 1.00 12.45 C ATOM 426 CE1 PHE A 118 -2.737 10.982 5.569 1.00 12.01 C ATOM 427 CE2 PHE A 118 -1.253 11.804 3.882 1.00 11.89 C ATOM 428 CZ PHE A 118 -2.495 11.321 4.252 1.00 11.67 C ATOM 0 H PHE A 118 -0.128 9.709 8.553 1.00 12.23 H new ATOM 0 HA PHE A 118 1.843 10.185 6.427 1.00 12.79 H new ATOM 0 HB2 PHE A 118 0.144 12.049 8.134 1.00 13.45 H new ATOM 0 HB3 PHE A 118 1.254 12.579 6.885 1.00 13.45 H new ATOM 0 HD1 PHE A 118 -1.933 10.862 7.542 1.00 12.56 H new ATOM 0 HD2 PHE A 118 0.710 12.324 4.537 1.00 12.45 H new ATOM 0 HE1 PHE A 118 -3.706 10.604 5.861 1.00 12.01 H new ATOM 0 HE2 PHE A 118 -1.061 12.070 2.853 1.00 11.89 H new ATOM 0 HZ PHE A 118 -3.274 11.209 3.513 1.00 11.67 H new ATOM 438 N LYS A 119 2.778 9.886 9.301 1.00 13.66 N ATOM 439 CA LYS A 119 3.855 10.040 10.270 1.00 14.45 C ATOM 440 C LYS A 119 5.210 9.824 9.604 1.00 14.19 C ATOM 441 O LYS A 119 5.970 10.769 9.401 1.00 14.83 O ATOM 442 CB LYS A 119 3.676 9.053 11.426 1.00 14.52 C ATOM 443 CG LYS A 119 3.092 9.683 12.680 1.00 15.42 C ATOM 444 CD LYS A 119 1.619 10.013 12.506 1.00 16.01 C ATOM 445 CE LYS A 119 0.737 9.067 13.303 1.00 16.53 C ATOM 446 NZ LYS A 119 -0.432 9.768 13.901 1.00 16.87 N ATOM 0 H LYS A 119 2.207 9.051 9.432 1.00 13.66 H new ATOM 0 HA LYS A 119 3.818 11.055 10.664 1.00 14.45 H new ATOM 0 HB2 LYS A 119 3.026 8.240 11.101 1.00 14.52 H new ATOM 0 HB3 LYS A 119 4.642 8.611 11.668 1.00 14.52 H new ATOM 0 HG2 LYS A 119 3.216 9.002 13.522 1.00 15.42 H new ATOM 0 HG3 LYS A 119 3.643 10.592 12.922 1.00 15.42 H new ATOM 0 HD2 LYS A 119 1.435 11.039 12.825 1.00 16.01 H new ATOM 0 HD3 LYS A 119 1.355 9.955 11.450 1.00 16.01 H new ATOM 0 HE2 LYS A 119 0.386 8.265 12.654 1.00 16.53 H new ATOM 0 HE3 LYS A 119 1.325 8.602 14.094 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 -1.008 9.088 14.436 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 -0.098 10.517 14.540 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 -1.008 10.190 13.145 1.00 16.87 H new ATOM 460 N ARG A 120 5.501 8.572 9.262 1.00 13.31 N ATOM 461 CA ARG A 120 6.761 8.230 8.614 1.00 13.08 C ATOM 462 C ARG A 120 6.521 7.718 7.197 1.00 12.15 C ATOM 463 O ARG A 120 7.269 6.877 6.696 1.00 11.68 O ATOM 464 CB ARG A 120 7.511 7.178 9.433 1.00 12.82 C ATOM 465 CG ARG A 120 8.637 7.752 10.277 1.00 13.39 C ATOM 466 CD ARG A 120 8.798 6.986 11.580 1.00 13.47 C ATOM 467 NE ARG A 120 8.859 7.878 12.736 1.00 14.06 N ATOM 468 CZ ARG A 120 9.933 8.015 13.506 1.00 14.44 C ATOM 469 NH1 ARG A 120 11.034 7.322 13.245 1.00 14.31 N ATOM 470 NH2 ARG A 120 9.908 8.846 14.538 1.00 15.09 N ATOM 0 H ARG A 120 4.881 7.778 9.423 1.00 13.31 H new ATOM 0 HA ARG A 120 7.369 9.133 8.555 1.00 13.08 H new ATOM 0 HB2 ARG A 120 6.804 6.666 10.086 1.00 12.82 H new ATOM 0 HB3 ARG A 120 7.921 6.428 8.757 1.00 12.82 H new ATOM 0 HG2 ARG A 120 9.570 7.717 9.715 1.00 13.39 H new ATOM 0 HG3 ARG A 120 8.434 8.801 10.492 1.00 13.39 H new ATOM 0 HD2 ARG A 120 7.964 6.295 11.699 1.00 13.47 H new ATOM 0 HD3 ARG A 120 9.706 6.385 11.537 1.00 13.47 H new ATOM 0 HE ARG A 120 8.030 8.427 12.965 1.00 14.06 H new ATOM 0 HH11 ARG A 120 11.058 6.682 12.451 1.00 14.31 H new ATOM 0 HH12 ARG A 120 11.857 7.429 13.838 1.00 14.31 H new ATOM 0 HH21 ARG A 120 9.064 9.381 14.742 1.00 15.09 H new ATOM 0 HH22 ARG A 120 10.733 8.951 15.129 1.00 15.09 H new ATOM 484 N GLU A 121 5.474 8.235 6.560 1.00 11.98 N ATOM 485 CA GLU A 121 5.125 7.838 5.200 1.00 11.15 C ATOM 486 C GLU A 121 5.014 6.319 5.086 1.00 10.00 C ATOM 487 O GLU A 121 5.890 5.663 4.522 1.00 9.65 O ATOM 488 CB GLU A 121 6.167 8.361 4.208 1.00 11.64 C ATOM 489 CG GLU A 121 6.090 9.862 3.979 1.00 12.24 C ATOM 490 CD GLU A 121 6.349 10.243 2.535 1.00 13.04 C ATOM 491 OE1 GLU A 121 5.475 9.976 1.683 1.00 13.61 O ATOM 492 OE2 GLU A 121 7.426 10.810 2.254 1.00 13.22 O ATOM 0 H GLU A 121 4.850 8.933 6.966 1.00 11.98 H new ATOM 0 HA GLU A 121 4.155 8.274 4.960 1.00 11.15 H new ATOM 0 HB2 GLU A 121 7.163 8.108 4.573 1.00 11.64 H new ATOM 0 HB3 GLU A 121 6.037 7.849 3.254 1.00 11.64 H new ATOM 0 HG2 GLU A 121 5.104 10.221 4.275 1.00 12.24 H new ATOM 0 HG3 GLU A 121 6.817 10.362 4.619 1.00 12.24 H new ATOM 499 N THR A 122 3.933 5.766 5.628 1.00 9.51 N ATOM 500 CA THR A 122 3.715 4.324 5.587 1.00 8.44 C ATOM 501 C THR A 122 2.241 3.992 5.390 1.00 7.82 C ATOM 502 O THR A 122 1.385 4.876 5.415 1.00 8.35 O ATOM 503 CB THR A 122 4.212 3.643 6.875 1.00 8.64 C ATOM 504 OG1 THR A 122 3.870 4.440 8.015 1.00 9.57 O ATOM 505 CG2 THR A 122 5.717 3.435 6.827 1.00 8.95 C ATOM 0 H THR A 122 3.197 6.292 6.099 1.00 9.51 H new ATOM 0 HA THR A 122 4.286 3.946 4.739 1.00 8.44 H new ATOM 0 HB THR A 122 3.728 2.670 6.957 1.00 8.64 H new ATOM 0 HG1 THR A 122 4.188 3.999 8.830 1.00 9.57 H new ATOM 0 HG21 THR A 122 6.047 2.952 7.747 1.00 8.95 H new ATOM 0 HG22 THR A 122 5.970 2.804 5.975 1.00 8.95 H new ATOM 0 HG23 THR A 122 6.215 4.399 6.724 1.00 8.95 H new ATOM 513 N CYS A 123 1.953 2.708 5.194 1.00 6.82 N ATOM 514 CA CYS A 123 0.582 2.252 4.993 1.00 6.32 C ATOM 515 C CYS A 123 0.483 0.737 5.149 1.00 5.48 C ATOM 516 O CYS A 123 1.497 0.038 5.178 1.00 5.04 O ATOM 517 CB CYS A 123 0.086 2.666 3.607 1.00 5.96 C ATOM 518 SG CYS A 123 1.392 2.783 2.361 1.00 5.05 S ATOM 0 H CYS A 123 2.652 1.965 5.170 1.00 6.82 H new ATOM 0 HA CYS A 123 -0.046 2.718 5.752 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.660 1.946 3.270 1.00 5.96 H new ATOM 0 HB3 CYS A 123 -0.415 3.631 3.685 1.00 5.96 H new ATOM 0 HG CYS A 123 2.492 2.279 2.837 1.00 5.05 H new ATOM 524 N VAL A 124 -0.745 0.236 5.242 1.00 5.51 N ATOM 525 CA VAL A 124 -0.983 -1.194 5.390 1.00 5.03 C ATOM 526 C VAL A 124 -1.757 -1.735 4.191 1.00 4.47 C ATOM 527 O VAL A 124 -2.972 -1.566 4.099 1.00 4.86 O ATOM 528 CB VAL A 124 -1.766 -1.503 6.681 1.00 5.88 C ATOM 529 CG1 VAL A 124 -2.067 -2.991 6.787 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.991 -1.022 7.900 1.00 6.50 C ATOM 0 H VAL A 124 -1.593 0.802 5.217 1.00 5.51 H new ATOM 0 HA VAL A 124 -0.010 -1.681 5.447 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.715 -0.969 6.643 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.620 -3.186 7.706 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.665 -3.303 5.931 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -1.132 -3.551 6.801 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -1.557 -1.248 8.804 1.00 6.50 H new ATOM 0 HG22 VAL A 124 -0.026 -1.528 7.941 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.834 0.054 7.830 1.00 6.50 H new ATOM 540 N VAL A 125 -1.042 -2.377 3.273 1.00 3.79 N ATOM 541 CA VAL A 125 -1.663 -2.931 2.076 1.00 3.55 C ATOM 542 C VAL A 125 -1.980 -4.414 2.243 1.00 4.11 C ATOM 543 O VAL A 125 -1.175 -5.177 2.778 1.00 4.19 O ATOM 544 CB VAL A 125 -0.764 -2.749 0.839 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.642 -1.277 0.477 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.608 -3.361 1.078 1.00 2.61 C ATOM 0 H VAL A 125 -0.035 -2.526 3.335 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.593 -2.382 1.928 1.00 3.55 H new ATOM 0 HB VAL A 125 -1.227 -3.269 0.000 1.00 2.74 H new ATOM 0 HG11 VAL A 125 -0.003 -1.170 -0.399 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -1.630 -0.873 0.257 1.00 2.53 H new ATOM 0 HG13 VAL A 125 -0.205 -0.732 1.314 1.00 2.53 H new ATOM 0 HG21 VAL A 125 1.228 -3.222 0.192 1.00 2.61 H new ATOM 0 HG22 VAL A 125 1.080 -2.874 1.931 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.501 -4.426 1.282 1.00 2.61 H new ATOM 556 N VAL A 126 -3.156 -4.814 1.771 1.00 4.74 N ATOM 557 CA VAL A 126 -3.582 -6.205 1.854 1.00 5.60 C ATOM 558 C VAL A 126 -3.433 -6.890 0.502 1.00 5.78 C ATOM 559 O VAL A 126 -3.879 -6.367 -0.520 1.00 5.73 O ATOM 560 CB VAL A 126 -5.048 -6.323 2.317 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.398 -7.772 2.619 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.297 -5.443 3.533 1.00 6.75 C ATOM 0 H VAL A 126 -3.832 -4.193 1.326 1.00 4.74 H new ATOM 0 HA VAL A 126 -2.943 -6.694 2.589 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.693 -5.978 1.509 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.436 -7.835 2.944 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.262 -8.374 1.721 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -4.747 -8.147 3.409 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.337 -5.540 3.845 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -4.643 -5.755 4.348 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.090 -4.404 3.279 1.00 6.75 H new ATOM 572 N TYR A 127 -2.806 -8.061 0.498 1.00 6.19 N ATOM 573 CA TYR A 127 -2.599 -8.809 -0.736 1.00 6.72 C ATOM 574 C TYR A 127 -3.895 -9.463 -1.197 1.00 7.79 C ATOM 575 O TYR A 127 -4.358 -10.439 -0.609 1.00 8.59 O ATOM 576 CB TYR A 127 -1.516 -9.869 -0.536 1.00 7.03 C ATOM 577 CG TYR A 127 -0.175 -9.291 -0.145 1.00 6.28 C ATOM 578 CD1 TYR A 127 0.462 -8.352 -0.949 1.00 6.38 C ATOM 579 CD2 TYR A 127 0.454 -9.681 1.032 1.00 5.71 C ATOM 580 CE1 TYR A 127 1.686 -7.820 -0.592 1.00 5.99 C ATOM 581 CE2 TYR A 127 1.679 -9.154 1.393 1.00 5.23 C ATOM 582 CZ TYR A 127 2.289 -8.225 0.579 1.00 5.42 C ATOM 583 OH TYR A 127 3.508 -7.697 0.937 1.00 5.31 O ATOM 0 H TYR A 127 -2.433 -8.512 1.333 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.274 -8.111 -1.508 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -1.840 -10.568 0.235 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -1.402 -10.440 -1.457 1.00 7.03 H new ATOM 0 HD1 TYR A 127 -0.008 -8.033 -1.868 1.00 6.38 H new ATOM 0 HD2 TYR A 127 -0.022 -10.407 1.674 1.00 5.71 H new ATOM 0 HE1 TYR A 127 2.167 -7.091 -1.227 1.00 5.99 H new ATOM 0 HE2 TYR A 127 2.156 -9.469 2.309 1.00 5.23 H new ATOM 0 HH TYR A 127 3.396 -6.756 1.187 1.00 5.31 H new ATOM 593 N THR A 128 -4.479 -8.907 -2.254 1.00 7.86 N ATOM 594 CA THR A 128 -5.726 -9.421 -2.803 1.00 8.91 C ATOM 595 C THR A 128 -5.571 -10.853 -3.309 1.00 9.91 C ATOM 596 O THR A 128 -5.145 -11.075 -4.443 1.00 10.27 O ATOM 597 CB THR A 128 -6.232 -8.537 -3.958 1.00 8.84 C ATOM 598 OG1 THR A 128 -5.579 -7.262 -3.921 1.00 7.77 O ATOM 599 CG2 THR A 128 -7.738 -8.342 -3.874 1.00 9.50 C ATOM 0 H THR A 128 -4.105 -8.097 -2.748 1.00 7.86 H new ATOM 0 HA THR A 128 -6.452 -9.408 -1.990 1.00 8.91 H new ATOM 0 HB THR A 128 -5.999 -9.039 -4.897 1.00 8.84 H new ATOM 0 HG1 THR A 128 -5.905 -6.706 -4.659 1.00 7.77 H new ATOM 0 HG21 THR A 128 -8.070 -7.714 -4.701 1.00 9.50 H new ATOM 0 HG22 THR A 128 -8.234 -9.311 -3.932 1.00 9.50 H new ATOM 0 HG23 THR A 128 -7.990 -7.861 -2.929 1.00 9.50 H new ATOM 607 N GLY A 129 -5.927 -11.818 -2.466 1.00 10.49 N ATOM 608 CA GLY A 129 -5.828 -13.213 -2.858 1.00 11.51 C ATOM 609 C GLY A 129 -4.856 -14.003 -2.003 1.00 11.53 C ATOM 610 O GLY A 129 -4.601 -15.177 -2.274 1.00 12.41 O ATOM 0 H GLY A 129 -6.281 -11.660 -1.522 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -6.814 -13.673 -2.796 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -5.515 -13.270 -3.901 1.00 11.51 H new ATOM 614 N TYR A 130 -4.310 -13.365 -0.972 1.00 10.62 N ATOM 615 CA TYR A 130 -3.360 -14.027 -0.084 1.00 10.62 C ATOM 616 C TYR A 130 -3.814 -13.937 1.371 1.00 10.60 C ATOM 617 O TYR A 130 -3.386 -14.725 2.213 1.00 11.27 O ATOM 618 CB TYR A 130 -1.972 -13.402 -0.234 1.00 9.73 C ATOM 619 CG TYR A 130 -1.250 -13.820 -1.496 1.00 10.03 C ATOM 620 CD1 TYR A 130 -1.494 -13.179 -2.703 1.00 9.83 C ATOM 621 CD2 TYR A 130 -0.323 -14.854 -1.477 1.00 10.64 C ATOM 622 CE1 TYR A 130 -0.834 -13.557 -3.858 1.00 10.27 C ATOM 623 CE2 TYR A 130 0.342 -15.238 -2.627 1.00 11.09 C ATOM 624 CZ TYR A 130 0.081 -14.587 -3.814 1.00 10.92 C ATOM 625 OH TYR A 130 0.741 -14.966 -4.961 1.00 11.49 O ATOM 0 H TYR A 130 -4.508 -12.394 -0.731 1.00 10.62 H new ATOM 0 HA TYR A 130 -3.313 -15.079 -0.365 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -2.069 -12.316 -0.224 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -1.365 -13.676 0.629 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -2.211 -12.372 -2.741 1.00 9.83 H new ATOM 0 HD2 TYR A 130 -0.118 -15.367 -0.549 1.00 10.64 H new ATOM 0 HE1 TYR A 130 -1.034 -13.048 -4.789 1.00 10.27 H new ATOM 0 HE2 TYR A 130 1.061 -16.043 -2.596 1.00 11.09 H new ATOM 0 HH TYR A 130 1.352 -15.705 -4.758 1.00 11.49 H new ATOM 635 N GLY A 131 -4.682 -12.971 1.656 1.00 9.97 N ATOM 636 CA GLY A 131 -5.180 -12.796 3.009 1.00 10.07 C ATOM 637 C GLY A 131 -4.076 -12.474 3.997 1.00 9.30 C ATOM 638 O GLY A 131 -4.098 -12.937 5.137 1.00 9.47 O ATOM 0 H GLY A 131 -5.049 -12.307 0.975 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -5.918 -11.994 3.020 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -5.692 -13.705 3.325 1.00 10.07 H new ATOM 642 N ASN A 132 -3.107 -11.674 3.558 1.00 8.58 N ATOM 643 CA ASN A 132 -1.988 -11.286 4.410 1.00 7.89 C ATOM 644 C ASN A 132 -1.795 -9.773 4.387 1.00 6.95 C ATOM 645 O ASN A 132 -2.030 -9.126 3.367 1.00 6.64 O ATOM 646 CB ASN A 132 -0.706 -11.987 3.946 1.00 7.85 C ATOM 647 CG ASN A 132 0.543 -11.412 4.586 1.00 7.69 C ATOM 648 OD1 ASN A 132 0.981 -10.312 4.247 1.00 7.99 O ATOM 649 ND2 ASN A 132 1.129 -12.156 5.516 1.00 7.49 N ATOM 0 H ASN A 132 -3.075 -11.282 2.617 1.00 8.58 H new ATOM 0 HA ASN A 132 -2.210 -11.591 5.433 1.00 7.89 H new ATOM 0 HB2 ASN A 132 -0.773 -13.049 4.181 1.00 7.85 H new ATOM 0 HB3 ASN A 132 -0.624 -11.905 2.862 1.00 7.85 H new ATOM 0 HD21 ASN A 132 1.974 -11.822 5.979 1.00 7.49 H new ATOM 0 HD22 ASN A 132 0.734 -13.062 5.768 1.00 7.49 H new ATOM 656 N ARG A 133 -1.366 -9.213 5.515 1.00 6.59 N ATOM 657 CA ARG A 133 -1.142 -7.776 5.619 1.00 5.87 C ATOM 658 C ARG A 133 0.350 -7.467 5.689 1.00 5.31 C ATOM 659 O ARG A 133 1.116 -8.201 6.314 1.00 5.65 O ATOM 660 CB ARG A 133 -1.847 -7.216 6.857 1.00 6.37 C ATOM 661 CG ARG A 133 -3.308 -6.869 6.625 1.00 6.55 C ATOM 662 CD ARG A 133 -4.145 -7.116 7.872 1.00 7.46 C ATOM 663 NE ARG A 133 -3.523 -6.554 9.068 1.00 7.96 N ATOM 664 CZ ARG A 133 -4.198 -6.209 10.161 1.00 8.74 C ATOM 665 NH1 ARG A 133 -5.515 -6.366 10.211 1.00 9.12 N ATOM 666 NH2 ARG A 133 -3.556 -5.704 11.206 1.00 9.35 N ATOM 0 H ARG A 133 -1.167 -9.733 6.369 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.556 -7.302 4.729 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -1.780 -7.946 7.663 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -1.319 -6.323 7.191 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -3.392 -5.823 6.330 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -3.698 -7.465 5.800 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -5.134 -6.678 7.738 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -4.287 -8.188 8.007 1.00 7.46 H new ATOM 0 HE ARG A 133 -2.512 -6.418 9.065 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -6.013 -6.753 9.409 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -6.029 -6.100 11.051 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -2.544 -5.580 11.172 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -4.074 -5.440 12.044 1.00 9.35 H new ATOM 680 N GLU A 134 0.756 -6.378 5.045 1.00 4.60 N ATOM 681 CA GLU A 134 2.158 -5.974 5.037 1.00 4.37 C ATOM 682 C GLU A 134 2.288 -4.458 4.941 1.00 4.10 C ATOM 683 O GLU A 134 1.677 -3.824 4.080 1.00 3.69 O ATOM 684 CB GLU A 134 2.895 -6.636 3.872 1.00 4.32 C ATOM 685 CG GLU A 134 3.634 -7.905 4.263 1.00 4.69 C ATOM 686 CD GLU A 134 4.803 -7.639 5.192 1.00 5.28 C ATOM 687 OE1 GLU A 134 4.575 -7.524 6.416 1.00 5.81 O ATOM 688 OE2 GLU A 134 5.945 -7.545 4.697 1.00 5.49 O ATOM 0 H GLU A 134 0.135 -5.760 4.522 1.00 4.60 H new ATOM 0 HA GLU A 134 2.609 -6.300 5.975 1.00 4.37 H new ATOM 0 HB2 GLU A 134 2.178 -6.871 3.085 1.00 4.32 H new ATOM 0 HB3 GLU A 134 3.607 -5.925 3.452 1.00 4.32 H new ATOM 0 HG2 GLU A 134 2.939 -8.591 4.748 1.00 4.69 H new ATOM 0 HG3 GLU A 134 3.996 -8.402 3.363 1.00 4.69 H new ATOM 695 N GLU A 135 3.090 -3.884 5.833 1.00 4.58 N ATOM 696 CA GLU A 135 3.305 -2.442 5.855 1.00 4.87 C ATOM 697 C GLU A 135 4.399 -2.037 4.870 1.00 4.79 C ATOM 698 O GLU A 135 5.464 -2.651 4.825 1.00 5.09 O ATOM 699 CB GLU A 135 3.678 -1.986 7.267 1.00 5.81 C ATOM 700 CG GLU A 135 3.918 -0.489 7.382 1.00 6.48 C ATOM 701 CD GLU A 135 4.303 -0.069 8.788 1.00 7.38 C ATOM 702 OE1 GLU A 135 5.381 -0.489 9.259 1.00 7.78 O ATOM 703 OE2 GLU A 135 3.526 0.681 9.417 1.00 7.86 O ATOM 0 H GLU A 135 3.602 -4.397 6.551 1.00 4.58 H new ATOM 0 HA GLU A 135 2.377 -1.956 5.555 1.00 4.87 H new ATOM 0 HB2 GLU A 135 2.881 -2.271 7.954 1.00 5.81 H new ATOM 0 HB3 GLU A 135 4.577 -2.515 7.585 1.00 5.81 H new ATOM 0 HG2 GLU A 135 4.708 -0.197 6.690 1.00 6.48 H new ATOM 0 HG3 GLU A 135 3.016 0.045 7.081 1.00 6.48 H new ATOM 710 N GLN A 136 4.126 -0.999 4.085 1.00 4.64 N ATOM 711 CA GLN A 136 5.084 -0.507 3.103 1.00 4.84 C ATOM 712 C GLN A 136 5.131 1.017 3.111 1.00 5.56 C ATOM 713 O GLN A 136 4.365 1.667 3.824 1.00 5.86 O ATOM 714 CB GLN A 136 4.719 -1.007 1.702 1.00 4.04 C ATOM 715 CG GLN A 136 4.615 -2.519 1.601 1.00 4.34 C ATOM 716 CD GLN A 136 5.971 -3.200 1.602 1.00 4.37 C ATOM 717 OE1 GLN A 136 6.892 -2.686 0.793 1.00 4.53 O flip ATOM 718 NE2 GLN A 136 6.189 -4.175 2.322 1.00 4.63 N flip ATOM 0 H GLN A 136 3.247 -0.482 4.111 1.00 4.64 H new ATOM 0 HA GLN A 136 6.069 -0.889 3.371 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.768 -0.566 1.405 1.00 4.04 H new ATOM 0 HB3 GLN A 136 5.469 -0.655 0.993 1.00 4.04 H new ATOM 0 HG2 GLN A 136 4.023 -2.895 2.436 1.00 4.34 H new ATOM 0 HG3 GLN A 136 4.081 -2.782 0.688 1.00 4.34 H new ATOM 0 HE21 GLN A 136 5.452 -4.536 2.928 1.00 4.63 H new ATOM 0 HE22 GLN A 136 7.106 -4.621 2.313 1.00 4.63 H new ATOM 727 N ASN A 137 6.031 1.583 2.312 1.00 6.06 N ATOM 728 CA ASN A 137 6.171 3.033 2.226 1.00 6.90 C ATOM 729 C ASN A 137 5.398 3.581 1.030 1.00 6.54 C ATOM 730 O ASN A 137 5.398 2.983 -0.046 1.00 5.95 O ATOM 731 CB ASN A 137 7.648 3.423 2.113 1.00 7.87 C ATOM 732 CG ASN A 137 8.577 2.232 2.260 1.00 8.40 C ATOM 733 OD1 ASN A 137 8.989 1.627 1.271 1.00 8.92 O ATOM 734 ND2 ASN A 137 8.910 1.890 3.499 1.00 8.47 N ATOM 0 H ASN A 137 6.673 1.061 1.716 1.00 6.06 H new ATOM 0 HA ASN A 137 5.758 3.466 3.137 1.00 6.90 H new ATOM 0 HB2 ASN A 137 7.822 3.898 1.148 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.885 4.161 2.879 1.00 7.87 H new ATOM 0 HD21 ASN A 137 9.531 1.097 3.660 1.00 8.47 H new ATOM 0 HD22 ASN A 137 8.545 2.420 4.290 1.00 8.47 H new ATOM 741 N LEU A 138 4.734 4.717 1.229 1.00 7.04 N ATOM 742 CA LEU A 138 3.950 5.342 0.169 1.00 6.90 C ATOM 743 C LEU A 138 4.816 5.648 -1.050 1.00 7.16 C ATOM 744 O LEU A 138 4.362 5.531 -2.189 1.00 6.67 O ATOM 745 CB LEU A 138 3.301 6.632 0.680 1.00 7.77 C ATOM 746 CG LEU A 138 2.389 6.462 1.896 1.00 7.75 C ATOM 747 CD1 LEU A 138 2.498 7.670 2.815 1.00 8.95 C ATOM 748 CD2 LEU A 138 0.948 6.253 1.455 1.00 7.32 C ATOM 0 H LEU A 138 4.724 5.223 2.115 1.00 7.04 H new ATOM 0 HA LEU A 138 3.172 4.640 -0.130 1.00 6.90 H new ATOM 0 HB2 LEU A 138 4.089 7.341 0.933 1.00 7.77 H new ATOM 0 HB3 LEU A 138 2.722 7.075 -0.130 1.00 7.77 H new ATOM 0 HG LEU A 138 2.710 5.579 2.449 1.00 7.75 H new ATOM 0 HD11 LEU A 138 1.843 7.533 3.675 1.00 8.95 H new ATOM 0 HD12 LEU A 138 3.528 7.776 3.156 1.00 8.95 H new ATOM 0 HD13 LEU A 138 2.202 8.568 2.273 1.00 8.95 H new ATOM 0 HD21 LEU A 138 0.313 6.134 2.333 1.00 7.32 H new ATOM 0 HD22 LEU A 138 0.614 7.117 0.880 1.00 7.32 H new ATOM 0 HD23 LEU A 138 0.883 5.358 0.836 1.00 7.32 H new ATOM 760 N SER A 139 6.061 6.043 -0.802 1.00 8.07 N ATOM 761 CA SER A 139 6.990 6.369 -1.879 1.00 8.59 C ATOM 762 C SER A 139 7.343 5.132 -2.699 1.00 8.04 C ATOM 763 O SER A 139 7.911 5.237 -3.786 1.00 8.40 O ATOM 764 CB SER A 139 8.264 6.994 -1.306 1.00 9.76 C ATOM 765 OG SER A 139 9.320 6.051 -1.259 1.00 10.26 O ATOM 0 H SER A 139 6.450 6.145 0.135 1.00 8.07 H new ATOM 0 HA SER A 139 6.500 7.086 -2.538 1.00 8.59 H new ATOM 0 HB2 SER A 139 8.561 7.846 -1.917 1.00 9.76 H new ATOM 0 HB3 SER A 139 8.067 7.374 -0.303 1.00 9.76 H new ATOM 0 HG SER A 139 10.122 6.476 -0.891 1.00 10.26 H new ATOM 771 N ASP A 140 7.004 3.959 -2.173 1.00 7.28 N ATOM 772 CA ASP A 140 7.287 2.702 -2.856 1.00 6.90 C ATOM 773 C ASP A 140 6.001 2.047 -3.354 1.00 5.82 C ATOM 774 O ASP A 140 6.009 0.894 -3.787 1.00 5.53 O ATOM 775 CB ASP A 140 8.031 1.747 -1.923 1.00 6.97 C ATOM 776 CG ASP A 140 8.894 0.756 -2.677 1.00 7.80 C ATOM 777 OD1 ASP A 140 9.630 1.185 -3.591 1.00 8.30 O ATOM 778 OD2 ASP A 140 8.835 -0.450 -2.355 1.00 8.12 O ATOM 0 H ASP A 140 6.532 3.853 -1.275 1.00 7.28 H new ATOM 0 HA ASP A 140 7.917 2.922 -3.718 1.00 6.90 H new ATOM 0 HB2 ASP A 140 8.656 2.324 -1.241 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.309 1.205 -1.312 1.00 6.97 H new ATOM 783 N LEU A 141 4.900 2.789 -3.292 1.00 5.41 N ATOM 784 CA LEU A 141 3.608 2.277 -3.739 1.00 4.46 C ATOM 785 C LEU A 141 3.496 2.334 -5.259 1.00 4.72 C ATOM 786 O LEU A 141 3.770 3.365 -5.875 1.00 5.47 O ATOM 787 CB LEU A 141 2.468 3.079 -3.104 1.00 4.23 C ATOM 788 CG LEU A 141 2.170 2.748 -1.639 1.00 3.96 C ATOM 789 CD1 LEU A 141 1.101 3.680 -1.091 1.00 4.31 C ATOM 790 CD2 LEU A 141 1.738 1.295 -1.495 1.00 3.01 C ATOM 0 H LEU A 141 4.876 3.745 -2.937 1.00 5.41 H new ATOM 0 HA LEU A 141 3.531 1.236 -3.424 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.707 4.140 -3.178 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.562 2.915 -3.688 1.00 4.23 H new ATOM 0 HG LEU A 141 3.083 2.892 -1.061 1.00 3.96 H new ATOM 0 HD11 LEU A 141 0.901 3.431 -0.049 1.00 4.31 H new ATOM 0 HD12 LEU A 141 1.448 4.711 -1.158 1.00 4.31 H new ATOM 0 HD13 LEU A 141 0.186 3.567 -1.673 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.531 1.079 -0.447 1.00 3.01 H new ATOM 0 HD22 LEU A 141 0.838 1.123 -2.086 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.535 0.642 -1.849 1.00 3.01 H new ATOM 802 N LEU A 142 3.089 1.220 -5.858 1.00 4.30 N ATOM 803 CA LEU A 142 2.937 1.140 -7.307 1.00 4.79 C ATOM 804 C LEU A 142 1.511 1.490 -7.723 1.00 4.37 C ATOM 805 O LEU A 142 0.573 1.346 -6.937 1.00 3.72 O ATOM 806 CB LEU A 142 3.293 -0.263 -7.804 1.00 5.32 C ATOM 807 CG LEU A 142 4.728 -0.709 -7.520 1.00 5.88 C ATOM 808 CD1 LEU A 142 4.788 -2.216 -7.322 1.00 6.01 C ATOM 809 CD2 LEU A 142 5.653 -0.279 -8.650 1.00 6.92 C ATOM 0 H LEU A 142 2.858 0.359 -5.362 1.00 4.30 H new ATOM 0 HA LEU A 142 3.618 1.861 -7.758 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.610 -0.978 -7.346 1.00 5.32 H new ATOM 0 HB3 LEU A 142 3.123 -0.304 -8.880 1.00 5.32 H new ATOM 0 HG LEU A 142 5.064 -0.229 -6.601 1.00 5.88 H new ATOM 0 HD11 LEU A 142 5.816 -2.516 -7.121 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.157 -2.498 -6.479 1.00 6.01 H new ATOM 0 HD13 LEU A 142 4.434 -2.716 -8.224 1.00 6.01 H new ATOM 0 HD21 LEU A 142 6.670 -0.604 -8.431 1.00 6.92 H new ATOM 0 HD22 LEU A 142 5.320 -0.731 -9.584 1.00 6.92 H new ATOM 0 HD23 LEU A 142 5.632 0.807 -8.744 1.00 6.92 H new ATOM 821 N SER A 143 1.356 1.951 -8.960 1.00 4.93 N ATOM 822 CA SER A 143 0.044 2.324 -9.480 1.00 4.89 C ATOM 823 C SER A 143 -0.608 1.152 -10.213 1.00 5.19 C ATOM 824 O SER A 143 0.082 0.280 -10.742 1.00 5.64 O ATOM 825 CB SER A 143 0.171 3.523 -10.422 1.00 5.50 C ATOM 826 OG SER A 143 1.427 3.530 -11.078 1.00 6.07 O ATOM 0 H SER A 143 2.122 2.075 -9.622 1.00 4.93 H new ATOM 0 HA SER A 143 -0.590 2.597 -8.636 1.00 4.89 H new ATOM 0 HB2 SER A 143 -0.628 3.493 -11.162 1.00 5.50 H new ATOM 0 HB3 SER A 143 0.048 4.447 -9.857 1.00 5.50 H new ATOM 0 HG SER A 143 1.480 4.306 -11.675 1.00 6.07 H new ATOM 832 N PRO A 144 -1.954 1.113 -10.252 1.00 5.25 N ATOM 833 CA PRO A 144 -2.694 0.040 -10.925 1.00 5.91 C ATOM 834 C PRO A 144 -2.634 0.158 -12.444 1.00 6.73 C ATOM 835 O PRO A 144 -1.783 0.862 -12.989 1.00 7.04 O ATOM 836 CB PRO A 144 -4.126 0.243 -10.431 1.00 6.05 C ATOM 837 CG PRO A 144 -4.218 1.701 -10.147 1.00 5.71 C ATOM 838 CD PRO A 144 -2.859 2.111 -9.645 1.00 5.04 C ATOM 0 HA PRO A 144 -2.283 -0.944 -10.701 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -4.853 -0.061 -11.184 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -4.326 -0.349 -9.538 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.487 2.257 -11.045 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -4.987 1.906 -9.403 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -2.605 3.125 -9.955 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -2.809 2.089 -8.556 1.00 5.04 H new