USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 Set 1.1: A 58 TYR OH : rot -65:sc= 1.18 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.0487 K(o=1.2,f=-1.3) USER MOD Set 2.1: A 25 ASN : amide:sc= -0.831 X(o=-0.91,f=-0.46) USER MOD Set 2.2: A 29 GLN : amide:sc= -0.0827 K(o=-0.91,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0985 (180deg=0) USER MOD Single : A 4 SER OG : rot 49:sc= 0.194 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 167:sc= -0.0696 (180deg=-0.341) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.13) USER MOD Single : A 19 MET CE :methyl 161:sc= -1.5 (180deg=-2.29!) USER MOD Single : A 30 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-4.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -123:sc= 0.672 USER MOD Single : A 61 GLN : amide:sc=-0.00244 K(o=-0.0024,f=-0.79) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 74 LYS NZ :NH3+ 140:sc= -2.71! (180deg=-5.4!) USER MOD Single : A 77 SER OG : rot 50:sc= 0.104 USER MOD Single : A 79 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.421 -7.806 0.583 1.00 22.30 N ATOM 2 CA GLY A 1 6.547 -7.397 1.711 1.00 34.43 C ATOM 3 C GLY A 1 5.270 -8.206 1.772 1.00 54.31 C ATOM 4 O GLY A 1 5.061 -9.094 0.944 1.00 35.32 O ATOM 0 H1 GLY A 1 8.282 -8.255 0.956 1.00 22.30 H new ATOM 0 H2 GLY A 1 6.913 -8.482 -0.023 1.00 22.30 H new ATOM 0 H3 GLY A 1 7.682 -6.968 0.024 1.00 22.30 H new ATOM 0 HA2 GLY A 1 7.091 -7.510 2.649 1.00 34.43 H new ATOM 0 HA3 GLY A 1 6.300 -6.340 1.611 1.00 34.43 H new ATOM 10 N PRO A 2 4.390 -7.917 2.752 1.00 3.42 N ATOM 11 CA PRO A 2 3.108 -8.616 2.897 1.00 42.11 C ATOM 12 C PRO A 2 2.144 -8.275 1.759 1.00 52.42 C ATOM 13 O PRO A 2 1.488 -7.227 1.772 1.00 55.43 O ATOM 14 CB PRO A 2 2.576 -8.115 4.249 1.00 10.24 C ATOM 15 CG PRO A 2 3.220 -6.783 4.441 1.00 41.31 C ATOM 16 CD PRO A 2 4.577 -6.884 3.794 1.00 31.52 C ATOM 0 HA PRO A 2 3.216 -9.700 2.858 1.00 42.11 H new ATOM 0 HB2 PRO A 2 1.489 -8.032 4.240 1.00 10.24 H new ATOM 0 HB3 PRO A 2 2.837 -8.800 5.055 1.00 10.24 H new ATOM 0 HG2 PRO A 2 2.626 -5.992 3.982 1.00 41.31 H new ATOM 0 HG3 PRO A 2 3.309 -6.541 5.500 1.00 41.31 H new ATOM 0 HD2 PRO A 2 4.888 -5.932 3.363 1.00 31.52 H new ATOM 0 HD3 PRO A 2 5.343 -7.174 4.513 1.00 31.52 H new ATOM 24 N GLY A 3 2.093 -9.149 0.762 1.00 45.01 N ATOM 25 CA GLY A 3 1.226 -8.945 -0.383 1.00 21.14 C ATOM 26 C GLY A 3 1.531 -9.926 -1.494 1.00 63.20 C ATOM 27 O GLY A 3 2.307 -9.621 -2.404 1.00 32.45 O ATOM 0 H GLY A 3 2.644 -10.006 0.727 1.00 45.01 H new ATOM 0 HA2 GLY A 3 0.186 -9.054 -0.076 1.00 21.14 H new ATOM 0 HA3 GLY A 3 1.345 -7.927 -0.753 1.00 21.14 H new ATOM 31 N SER A 4 0.943 -11.114 -1.408 1.00 33.30 N ATOM 32 CA SER A 4 1.180 -12.165 -2.387 1.00 22.20 C ATOM 33 C SER A 4 0.607 -11.785 -3.755 1.00 43.34 C ATOM 34 O SER A 4 -0.576 -11.990 -4.028 1.00 12.55 O ATOM 35 CB SER A 4 0.573 -13.479 -1.887 1.00 64.22 C ATOM 36 OG SER A 4 -0.771 -13.294 -1.458 1.00 5.04 O ATOM 0 H SER A 4 0.295 -11.373 -0.664 1.00 33.30 H new ATOM 0 HA SER A 4 2.255 -12.294 -2.509 1.00 22.20 H new ATOM 0 HB2 SER A 4 0.604 -14.223 -2.683 1.00 64.22 H new ATOM 0 HB3 SER A 4 1.170 -13.868 -1.063 1.00 64.22 H new ATOM 0 HG SER A 4 -1.267 -12.796 -2.141 1.00 5.04 H new ATOM 42 N MET A 5 1.454 -11.198 -4.596 1.00 14.31 N ATOM 43 CA MET A 5 1.077 -10.837 -5.962 1.00 21.41 C ATOM 44 C MET A 5 1.339 -12.014 -6.909 1.00 3.22 C ATOM 45 O MET A 5 2.018 -12.972 -6.533 1.00 24.55 O ATOM 46 CB MET A 5 1.858 -9.585 -6.406 1.00 54.22 C ATOM 47 CG MET A 5 1.542 -9.115 -7.822 1.00 4.32 C ATOM 48 SD MET A 5 -0.233 -8.984 -8.131 1.00 52.35 S ATOM 49 CE MET A 5 -0.256 -8.389 -9.824 1.00 62.22 C ATOM 0 H MET A 5 2.416 -10.960 -4.353 1.00 14.31 H new ATOM 0 HA MET A 5 0.012 -10.607 -5.994 1.00 21.41 H new ATOM 0 HB2 MET A 5 1.645 -8.773 -5.711 1.00 54.22 H new ATOM 0 HB3 MET A 5 2.926 -9.793 -6.335 1.00 54.22 H new ATOM 0 HG2 MET A 5 2.009 -8.145 -7.991 1.00 4.32 H new ATOM 0 HG3 MET A 5 1.981 -9.810 -8.538 1.00 4.32 H new ATOM 0 HE1 MET A 5 -1.288 -8.261 -10.151 1.00 62.22 H new ATOM 0 HE2 MET A 5 0.264 -7.433 -9.881 1.00 62.22 H new ATOM 0 HE3 MET A 5 0.242 -9.111 -10.470 1.00 62.22 H new ATOM 59 N LYS A 6 0.787 -11.936 -8.129 1.00 60.02 N ATOM 60 CA LYS A 6 0.947 -12.979 -9.154 1.00 0.51 C ATOM 61 C LYS A 6 0.082 -14.199 -8.831 1.00 20.35 C ATOM 62 O LYS A 6 0.350 -15.305 -9.302 1.00 72.41 O ATOM 63 CB LYS A 6 2.425 -13.394 -9.319 1.00 22.24 C ATOM 64 CG LYS A 6 3.345 -12.265 -9.783 1.00 51.21 C ATOM 65 CD LYS A 6 2.927 -11.703 -11.142 1.00 43.02 C ATOM 66 CE LYS A 6 3.898 -10.633 -11.633 1.00 42.41 C ATOM 67 NZ LYS A 6 3.462 -10.033 -12.921 1.00 41.11 N ATOM 0 H LYS A 6 0.216 -11.147 -8.433 1.00 60.02 H new ATOM 0 HA LYS A 6 0.612 -12.557 -10.101 1.00 0.51 H new ATOM 0 HB2 LYS A 6 2.791 -13.778 -8.367 1.00 22.24 H new ATOM 0 HB3 LYS A 6 2.483 -14.213 -10.036 1.00 22.24 H new ATOM 0 HG2 LYS A 6 3.338 -11.465 -9.043 1.00 51.21 H new ATOM 0 HG3 LYS A 6 4.369 -12.634 -9.843 1.00 51.21 H new ATOM 0 HD2 LYS A 6 2.878 -12.512 -11.871 1.00 43.02 H new ATOM 0 HD3 LYS A 6 1.925 -11.279 -11.068 1.00 43.02 H new ATOM 0 HE2 LYS A 6 3.986 -9.850 -10.880 1.00 42.41 H new ATOM 0 HE3 LYS A 6 4.889 -11.071 -11.754 1.00 42.41 H new ATOM 0 HZ1 LYS A 6 4.150 -9.311 -13.218 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 3.403 -10.775 -13.647 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 2.528 -9.592 -12.800 1.00 41.11 H new ATOM 81 N ILE A 7 -0.971 -13.981 -8.041 1.00 20.42 N ATOM 82 CA ILE A 7 -1.927 -15.041 -7.714 1.00 44.41 C ATOM 83 C ILE A 7 -2.690 -15.492 -8.963 1.00 2.01 C ATOM 84 O ILE A 7 -3.288 -16.569 -8.987 1.00 74.52 O ATOM 85 CB ILE A 7 -2.944 -14.583 -6.638 1.00 64.54 C ATOM 86 CG1 ILE A 7 -3.714 -13.336 -7.115 1.00 73.53 C ATOM 87 CG2 ILE A 7 -2.237 -14.314 -5.310 1.00 60.11 C ATOM 88 CD1 ILE A 7 -4.757 -12.841 -6.131 1.00 33.43 C ATOM 0 H ILE A 7 -1.184 -13.079 -7.615 1.00 20.42 H new ATOM 0 HA ILE A 7 -1.349 -15.876 -7.317 1.00 44.41 H new ATOM 0 HB ILE A 7 -3.665 -15.386 -6.481 1.00 64.54 H new ATOM 0 HG12 ILE A 7 -3.002 -12.534 -7.308 1.00 73.53 H new ATOM 0 HG13 ILE A 7 -4.202 -13.564 -8.063 1.00 73.53 H new ATOM 0 HG21 ILE A 7 -2.968 -13.994 -4.567 1.00 60.11 H new ATOM 0 HG22 ILE A 7 -1.747 -15.225 -4.967 1.00 60.11 H new ATOM 0 HG23 ILE A 7 -1.491 -13.531 -5.447 1.00 60.11 H new ATOM 0 HD11 ILE A 7 -5.254 -11.962 -6.540 1.00 33.43 H new ATOM 0 HD12 ILE A 7 -5.493 -13.626 -5.956 1.00 33.43 H new ATOM 0 HD13 ILE A 7 -4.274 -12.580 -5.189 1.00 33.43 H new ATOM 100 N MET A 8 -2.667 -14.650 -9.992 1.00 64.41 N ATOM 101 CA MET A 8 -3.316 -14.952 -11.263 1.00 24.40 C ATOM 102 C MET A 8 -2.508 -15.999 -12.028 1.00 34.32 C ATOM 103 O MET A 8 -1.320 -15.806 -12.295 1.00 33.34 O ATOM 104 CB MET A 8 -3.454 -13.672 -12.103 1.00 14.01 C ATOM 105 CG MET A 8 -4.333 -12.604 -11.462 1.00 51.13 C ATOM 106 SD MET A 8 -4.255 -11.022 -12.332 1.00 50.30 S ATOM 107 CE MET A 8 -4.777 -11.494 -13.982 1.00 14.20 C ATOM 0 H MET A 8 -2.200 -13.743 -9.969 1.00 64.41 H new ATOM 0 HA MET A 8 -4.311 -15.351 -11.065 1.00 24.40 H new ATOM 0 HB2 MET A 8 -2.462 -13.255 -12.278 1.00 14.01 H new ATOM 0 HB3 MET A 8 -3.867 -13.932 -13.078 1.00 14.01 H new ATOM 0 HG2 MET A 8 -5.366 -12.953 -11.443 1.00 51.13 H new ATOM 0 HG3 MET A 8 -4.026 -12.460 -10.426 1.00 51.13 H new ATOM 0 HE1 MET A 8 -4.999 -10.599 -14.563 1.00 14.20 H new ATOM 0 HE2 MET A 8 -3.979 -12.055 -14.470 1.00 14.20 H new ATOM 0 HE3 MET A 8 -5.670 -12.116 -13.917 1.00 14.20 H new ATOM 117 N SER A 9 -3.155 -17.110 -12.372 1.00 52.42 N ATOM 118 CA SER A 9 -2.510 -18.176 -13.134 1.00 41.40 C ATOM 119 C SER A 9 -2.336 -17.763 -14.597 1.00 52.44 C ATOM 120 O SER A 9 -1.551 -18.362 -15.333 1.00 2.24 O ATOM 121 CB SER A 9 -3.335 -19.466 -13.040 1.00 11.15 C ATOM 122 OG SER A 9 -3.483 -19.878 -11.689 1.00 3.21 O ATOM 0 H SER A 9 -4.129 -17.296 -12.134 1.00 52.42 H new ATOM 0 HA SER A 9 -1.523 -18.357 -12.709 1.00 41.40 H new ATOM 0 HB2 SER A 9 -4.317 -19.307 -13.485 1.00 11.15 H new ATOM 0 HB3 SER A 9 -2.849 -20.255 -13.614 1.00 11.15 H new ATOM 0 HG SER A 9 -4.014 -20.701 -11.654 1.00 3.21 H new ATOM 128 N ASP A 10 -3.073 -16.726 -15.004 1.00 5.42 N ATOM 129 CA ASP A 10 -3.030 -16.222 -16.377 1.00 71.14 C ATOM 130 C ASP A 10 -1.686 -15.563 -16.678 1.00 13.53 C ATOM 131 O ASP A 10 -1.574 -14.334 -16.707 1.00 34.12 O ATOM 132 CB ASP A 10 -4.164 -15.219 -16.623 1.00 24.34 C ATOM 133 CG ASP A 10 -5.537 -15.855 -16.512 1.00 63.12 C ATOM 134 OD1 ASP A 10 -6.051 -16.347 -17.537 1.00 35.34 O ATOM 135 OD2 ASP A 10 -6.110 -15.860 -15.403 1.00 0.04 O ATOM 0 H ASP A 10 -3.712 -16.216 -14.394 1.00 5.42 H new ATOM 0 HA ASP A 10 -3.158 -17.074 -17.045 1.00 71.14 H new ATOM 0 HB2 ASP A 10 -4.086 -14.404 -15.904 1.00 24.34 H new ATOM 0 HB3 ASP A 10 -4.049 -14.782 -17.615 1.00 24.34 H new ATOM 140 N ASN A 11 -0.669 -16.393 -16.880 1.00 24.23 N ATOM 141 CA ASN A 11 0.682 -15.932 -17.190 1.00 34.43 C ATOM 142 C ASN A 11 1.333 -16.907 -18.164 1.00 13.01 C ATOM 143 O ASN A 11 1.312 -18.109 -17.930 1.00 54.04 O ATOM 144 CB ASN A 11 1.539 -15.828 -15.912 1.00 22.21 C ATOM 145 CG ASN A 11 1.217 -14.597 -15.083 1.00 23.50 C ATOM 146 OD1 ASN A 11 1.822 -13.540 -15.264 1.00 72.51 O ATOM 147 ND2 ASN A 11 0.272 -14.723 -14.168 1.00 70.34 N ATOM 0 H ASN A 11 -0.757 -17.408 -16.834 1.00 24.23 H new ATOM 0 HA ASN A 11 0.617 -14.941 -17.639 1.00 34.43 H new ATOM 0 HB2 ASN A 11 1.385 -16.720 -15.304 1.00 22.21 H new ATOM 0 HB3 ASN A 11 2.593 -15.808 -16.188 1.00 22.21 H new ATOM 0 HD21 ASN A 11 0.021 -13.927 -13.581 1.00 70.34 H new ATOM 0 HD22 ASN A 11 -0.206 -15.616 -14.049 1.00 70.34 H new ATOM 154 N PRO A 12 1.950 -16.410 -19.252 1.00 75.11 N ATOM 155 CA PRO A 12 2.563 -17.275 -20.279 1.00 13.21 C ATOM 156 C PRO A 12 3.786 -18.029 -19.748 1.00 32.31 C ATOM 157 O PRO A 12 4.420 -18.802 -20.472 1.00 35.35 O ATOM 158 CB PRO A 12 2.970 -16.285 -21.379 1.00 12.34 C ATOM 159 CG PRO A 12 3.145 -14.984 -20.670 1.00 23.15 C ATOM 160 CD PRO A 12 2.117 -14.978 -19.568 1.00 32.52 C ATOM 0 HA PRO A 12 1.881 -18.053 -20.622 1.00 13.21 H new ATOM 0 HB2 PRO A 12 3.892 -16.596 -21.870 1.00 12.34 H new ATOM 0 HB3 PRO A 12 2.205 -16.215 -22.152 1.00 12.34 H new ATOM 0 HG2 PRO A 12 4.153 -14.891 -20.266 1.00 23.15 H new ATOM 0 HG3 PRO A 12 2.996 -14.145 -21.349 1.00 23.15 H new ATOM 0 HD2 PRO A 12 2.459 -14.412 -18.702 1.00 32.52 H new ATOM 0 HD3 PRO A 12 1.180 -14.526 -19.894 1.00 32.52 H new ATOM 168 N PHE A 13 4.101 -17.802 -18.476 1.00 55.21 N ATOM 169 CA PHE A 13 5.280 -18.384 -17.847 1.00 54.02 C ATOM 170 C PHE A 13 4.986 -19.780 -17.301 1.00 42.42 C ATOM 171 O PHE A 13 5.903 -20.506 -16.922 1.00 10.34 O ATOM 172 CB PHE A 13 5.768 -17.466 -16.720 1.00 54.21 C ATOM 173 CG PHE A 13 5.892 -16.020 -17.141 1.00 45.45 C ATOM 174 CD1 PHE A 13 6.868 -15.625 -18.047 1.00 72.33 C ATOM 175 CD2 PHE A 13 5.025 -15.058 -16.639 1.00 71.32 C ATOM 176 CE1 PHE A 13 6.976 -14.305 -18.441 1.00 73.14 C ATOM 177 CE2 PHE A 13 5.129 -13.737 -17.034 1.00 63.22 C ATOM 178 CZ PHE A 13 6.107 -13.361 -17.933 1.00 55.23 C ATOM 0 H PHE A 13 3.548 -17.211 -17.855 1.00 55.21 H new ATOM 0 HA PHE A 13 6.060 -18.480 -18.602 1.00 54.02 H new ATOM 0 HB2 PHE A 13 5.077 -17.535 -15.879 1.00 54.21 H new ATOM 0 HB3 PHE A 13 6.737 -17.819 -16.366 1.00 54.21 H new ATOM 0 HD1 PHE A 13 7.551 -16.359 -18.449 1.00 72.33 H new ATOM 0 HD2 PHE A 13 4.261 -15.345 -15.932 1.00 71.32 H new ATOM 0 HE1 PHE A 13 7.740 -14.012 -19.146 1.00 73.14 H new ATOM 0 HE2 PHE A 13 4.446 -13.000 -16.639 1.00 63.22 H new ATOM 0 HZ PHE A 13 6.192 -12.329 -18.239 1.00 55.23 H new ATOM 188 N ASP A 14 3.705 -20.156 -17.268 1.00 61.43 N ATOM 189 CA ASP A 14 3.300 -21.471 -16.757 1.00 1.10 C ATOM 190 C ASP A 14 3.170 -22.466 -17.914 1.00 23.42 C ATOM 191 O ASP A 14 2.515 -23.503 -17.795 1.00 64.53 O ATOM 192 CB ASP A 14 1.975 -21.368 -15.971 1.00 24.22 C ATOM 193 CG ASP A 14 0.724 -21.371 -16.849 1.00 25.23 C ATOM 194 OD1 ASP A 14 0.707 -20.681 -17.887 1.00 35.14 O ATOM 195 OD2 ASP A 14 -0.257 -22.062 -16.490 1.00 35.13 O ATOM 0 H ASP A 14 2.932 -19.572 -17.587 1.00 61.43 H new ATOM 0 HA ASP A 14 4.068 -21.831 -16.073 1.00 1.10 H new ATOM 0 HB2 ASP A 14 1.916 -22.201 -15.270 1.00 24.22 H new ATOM 0 HB3 ASP A 14 1.987 -20.453 -15.378 1.00 24.22 H new ATOM 200 N ASP A 15 3.825 -22.139 -19.026 1.00 24.15 N ATOM 201 CA ASP A 15 3.785 -22.956 -20.241 1.00 22.14 C ATOM 202 C ASP A 15 4.394 -24.340 -19.981 1.00 33.41 C ATOM 203 O ASP A 15 4.949 -24.592 -18.911 1.00 21.43 O ATOM 204 CB ASP A 15 4.556 -22.237 -21.367 1.00 33.54 C ATOM 205 CG ASP A 15 4.089 -22.625 -22.764 1.00 71.14 C ATOM 206 OD1 ASP A 15 4.344 -23.766 -23.194 1.00 4.14 O ATOM 207 OD2 ASP A 15 3.452 -21.786 -23.435 1.00 14.35 O ATOM 0 H ASP A 15 4.399 -21.300 -19.112 1.00 24.15 H new ATOM 0 HA ASP A 15 2.747 -23.093 -20.543 1.00 22.14 H new ATOM 0 HB2 ASP A 15 4.446 -21.160 -21.242 1.00 33.54 H new ATOM 0 HB3 ASP A 15 5.618 -22.463 -21.271 1.00 33.54 H new ATOM 212 N GLU A 16 4.289 -25.238 -20.950 1.00 64.42 N ATOM 213 CA GLU A 16 4.887 -26.566 -20.839 1.00 72.15 C ATOM 214 C GLU A 16 6.184 -26.643 -21.647 1.00 0.22 C ATOM 215 O GLU A 16 6.969 -27.580 -21.499 1.00 14.11 O ATOM 216 CB GLU A 16 3.912 -27.637 -21.336 1.00 10.52 C ATOM 217 CG GLU A 16 3.514 -27.466 -22.796 1.00 35.24 C ATOM 218 CD GLU A 16 2.846 -28.704 -23.365 1.00 43.11 C ATOM 219 OE1 GLU A 16 3.571 -29.666 -23.698 1.00 71.15 O ATOM 220 OE2 GLU A 16 1.605 -28.721 -23.491 1.00 60.31 O ATOM 0 H GLU A 16 3.794 -25.073 -21.826 1.00 64.42 H new ATOM 0 HA GLU A 16 5.112 -26.746 -19.788 1.00 72.15 H new ATOM 0 HB2 GLU A 16 4.366 -28.619 -21.204 1.00 10.52 H new ATOM 0 HB3 GLU A 16 3.014 -27.615 -20.718 1.00 10.52 H new ATOM 0 HG2 GLU A 16 2.837 -26.617 -22.888 1.00 35.24 H new ATOM 0 HG3 GLU A 16 4.400 -27.232 -23.386 1.00 35.24 H new ATOM 227 N ASP A 17 6.385 -25.656 -22.511 1.00 22.24 N ATOM 228 CA ASP A 17 7.537 -25.632 -23.415 1.00 3.22 C ATOM 229 C ASP A 17 8.761 -25.009 -22.745 1.00 74.54 C ATOM 230 O ASP A 17 9.899 -25.272 -23.139 1.00 14.22 O ATOM 231 CB ASP A 17 7.180 -24.850 -24.686 1.00 73.41 C ATOM 232 CG ASP A 17 8.316 -24.797 -25.693 1.00 11.32 C ATOM 233 OD1 ASP A 17 8.532 -25.802 -26.401 1.00 23.03 O ATOM 234 OD2 ASP A 17 8.993 -23.748 -25.789 1.00 74.33 O ATOM 0 H ASP A 17 5.762 -24.854 -22.608 1.00 22.24 H new ATOM 0 HA ASP A 17 7.786 -26.661 -23.675 1.00 3.22 H new ATOM 0 HB2 ASP A 17 6.309 -25.308 -25.154 1.00 73.41 H new ATOM 0 HB3 ASP A 17 6.897 -23.833 -24.412 1.00 73.41 H new ATOM 239 N GLY A 18 8.521 -24.195 -21.723 1.00 22.32 N ATOM 240 CA GLY A 18 9.607 -23.540 -21.020 1.00 55.12 C ATOM 241 C GLY A 18 10.326 -24.480 -20.074 1.00 21.01 C ATOM 242 O GLY A 18 9.749 -25.471 -19.622 1.00 22.31 O ATOM 0 H GLY A 18 7.590 -23.977 -21.368 1.00 22.32 H new ATOM 0 HA2 GLY A 18 10.318 -23.142 -21.744 1.00 55.12 H new ATOM 0 HA3 GLY A 18 9.215 -22.692 -20.459 1.00 55.12 H new ATOM 246 N MET A 19 11.580 -24.166 -19.768 1.00 71.05 N ATOM 247 CA MET A 19 12.376 -24.973 -18.850 1.00 33.54 C ATOM 248 C MET A 19 12.226 -24.410 -17.441 1.00 63.41 C ATOM 249 O MET A 19 12.440 -23.215 -17.222 1.00 61.02 O ATOM 250 CB MET A 19 13.854 -24.952 -19.275 1.00 64.03 C ATOM 251 CG MET A 19 14.082 -25.331 -20.736 1.00 15.00 C ATOM 252 SD MET A 19 13.952 -27.107 -21.035 1.00 45.42 S ATOM 253 CE MET A 19 15.523 -27.676 -20.387 1.00 24.42 C ATOM 0 H MET A 19 12.069 -23.354 -20.144 1.00 71.05 H new ATOM 0 HA MET A 19 12.027 -26.005 -18.870 1.00 33.54 H new ATOM 0 HB2 MET A 19 14.258 -23.955 -19.101 1.00 64.03 H new ATOM 0 HB3 MET A 19 14.414 -25.638 -18.640 1.00 64.03 H new ATOM 0 HG2 MET A 19 13.355 -24.810 -21.358 1.00 15.00 H new ATOM 0 HG3 MET A 19 15.070 -24.988 -21.044 1.00 15.00 H new ATOM 0 HE1 MET A 19 15.467 -28.746 -20.185 1.00 24.42 H new ATOM 0 HE2 MET A 19 16.309 -27.485 -21.118 1.00 24.42 H new ATOM 0 HE3 MET A 19 15.750 -27.144 -19.463 1.00 24.42 H new ATOM 263 N PHE A 20 11.858 -25.260 -16.487 1.00 61.25 N ATOM 264 CA PHE A 20 11.629 -24.823 -15.108 1.00 32.04 C ATOM 265 C PHE A 20 12.362 -25.741 -14.140 1.00 71.52 C ATOM 266 O PHE A 20 12.593 -26.911 -14.443 1.00 70.12 O ATOM 267 CB PHE A 20 10.128 -24.826 -14.761 1.00 3.13 C ATOM 268 CG PHE A 20 9.221 -24.276 -15.838 1.00 61.03 C ATOM 269 CD1 PHE A 20 9.447 -23.029 -16.406 1.00 54.41 C ATOM 270 CD2 PHE A 20 8.140 -25.019 -16.285 1.00 44.04 C ATOM 271 CE1 PHE A 20 8.614 -22.540 -17.394 1.00 24.51 C ATOM 272 CE2 PHE A 20 7.306 -24.533 -17.270 1.00 71.41 C ATOM 273 CZ PHE A 20 7.543 -23.293 -17.826 1.00 15.24 C ATOM 0 H PHE A 20 11.711 -26.258 -16.641 1.00 61.25 H new ATOM 0 HA PHE A 20 12.008 -23.805 -15.017 1.00 32.04 H new ATOM 0 HB2 PHE A 20 9.824 -25.849 -14.539 1.00 3.13 H new ATOM 0 HB3 PHE A 20 9.980 -24.245 -13.851 1.00 3.13 H new ATOM 0 HD1 PHE A 20 10.284 -22.434 -16.071 1.00 54.41 H new ATOM 0 HD2 PHE A 20 7.948 -25.992 -15.856 1.00 44.04 H new ATOM 0 HE1 PHE A 20 8.802 -21.569 -17.827 1.00 24.51 H new ATOM 0 HE2 PHE A 20 6.467 -25.124 -17.606 1.00 71.41 H new ATOM 0 HZ PHE A 20 6.891 -22.913 -18.598 1.00 15.24 H new ATOM 283 N PHE A 21 12.711 -25.215 -12.975 1.00 10.12 N ATOM 284 CA PHE A 21 13.391 -26.000 -11.947 1.00 12.01 C ATOM 285 C PHE A 21 12.430 -26.340 -10.820 1.00 31.14 C ATOM 286 O PHE A 21 11.452 -25.629 -10.595 1.00 62.34 O ATOM 287 CB PHE A 21 14.625 -25.257 -11.394 1.00 11.41 C ATOM 288 CG PHE A 21 14.582 -23.760 -11.541 1.00 11.11 C ATOM 289 CD1 PHE A 21 14.961 -23.170 -12.735 1.00 12.25 C ATOM 290 CD2 PHE A 21 14.178 -22.946 -10.492 1.00 14.31 C ATOM 291 CE1 PHE A 21 14.937 -21.800 -12.885 1.00 70.43 C ATOM 292 CE2 PHE A 21 14.156 -21.573 -10.636 1.00 22.23 C ATOM 293 CZ PHE A 21 14.536 -20.998 -11.834 1.00 73.54 C ATOM 0 H PHE A 21 12.535 -24.245 -12.714 1.00 10.12 H new ATOM 0 HA PHE A 21 13.738 -26.925 -12.408 1.00 12.01 H new ATOM 0 HB2 PHE A 21 14.734 -25.501 -10.337 1.00 11.41 H new ATOM 0 HB3 PHE A 21 15.514 -25.632 -11.901 1.00 11.41 H new ATOM 0 HD1 PHE A 21 15.279 -23.791 -13.559 1.00 12.25 H new ATOM 0 HD2 PHE A 21 13.878 -23.391 -9.555 1.00 14.31 H new ATOM 0 HE1 PHE A 21 15.231 -21.354 -13.823 1.00 70.43 H new ATOM 0 HE2 PHE A 21 13.842 -20.949 -9.813 1.00 22.23 H new ATOM 0 HZ PHE A 21 14.519 -19.924 -11.948 1.00 73.54 H new ATOM 303 N VAL A 22 12.707 -27.430 -10.114 1.00 32.43 N ATOM 304 CA VAL A 22 11.886 -27.825 -8.981 1.00 52.22 C ATOM 305 C VAL A 22 12.658 -27.558 -7.701 1.00 31.51 C ATOM 306 O VAL A 22 13.793 -28.030 -7.537 1.00 75.34 O ATOM 307 CB VAL A 22 11.452 -29.315 -9.036 1.00 44.01 C ATOM 308 CG1 VAL A 22 10.538 -29.651 -7.859 1.00 24.52 C ATOM 309 CG2 VAL A 22 10.766 -29.625 -10.364 1.00 1.01 C ATOM 0 H VAL A 22 13.492 -28.053 -10.307 1.00 32.43 H new ATOM 0 HA VAL A 22 10.970 -27.234 -9.014 1.00 52.22 H new ATOM 0 HB VAL A 22 12.344 -29.938 -8.962 1.00 44.01 H new ATOM 0 HG11 VAL A 22 10.244 -30.699 -7.914 1.00 24.52 H new ATOM 0 HG12 VAL A 22 11.068 -29.472 -6.924 1.00 24.52 H new ATOM 0 HG13 VAL A 22 9.649 -29.022 -7.898 1.00 24.52 H new ATOM 0 HG21 VAL A 22 10.469 -30.674 -10.384 1.00 1.01 H new ATOM 0 HG22 VAL A 22 9.883 -28.996 -10.473 1.00 1.01 H new ATOM 0 HG23 VAL A 22 11.456 -29.427 -11.185 1.00 1.01 H new ATOM 319 N LEU A 23 12.050 -26.771 -6.826 1.00 13.42 N ATOM 320 CA LEU A 23 12.664 -26.378 -5.567 1.00 60.42 C ATOM 321 C LEU A 23 12.118 -27.227 -4.425 1.00 65.53 C ATOM 322 O LEU A 23 11.173 -28.002 -4.611 1.00 63.14 O ATOM 323 CB LEU A 23 12.372 -24.899 -5.285 1.00 73.02 C ATOM 324 CG LEU A 23 12.678 -23.932 -6.440 1.00 31.12 C ATOM 325 CD1 LEU A 23 12.234 -22.514 -6.096 1.00 65.11 C ATOM 326 CD2 LEU A 23 14.156 -23.954 -6.792 1.00 32.23 C ATOM 0 H LEU A 23 11.116 -26.387 -6.969 1.00 13.42 H new ATOM 0 HA LEU A 23 13.741 -26.530 -5.642 1.00 60.42 H new ATOM 0 HB2 LEU A 23 11.320 -24.799 -5.019 1.00 73.02 H new ATOM 0 HB3 LEU A 23 12.951 -24.592 -4.414 1.00 73.02 H new ATOM 0 HG LEU A 23 12.114 -24.266 -7.311 1.00 31.12 H new ATOM 0 HD11 LEU A 23 12.462 -21.849 -6.929 1.00 65.11 H new ATOM 0 HD12 LEU A 23 11.161 -22.505 -5.907 1.00 65.11 H new ATOM 0 HD13 LEU A 23 12.762 -22.173 -5.205 1.00 65.11 H new ATOM 0 HD21 LEU A 23 14.345 -23.261 -7.612 1.00 32.23 H new ATOM 0 HD22 LEU A 23 14.742 -23.656 -5.922 1.00 32.23 H new ATOM 0 HD23 LEU A 23 14.443 -24.961 -7.095 1.00 32.23 H new ATOM 338 N ILE A 24 12.709 -27.072 -3.248 1.00 4.03 N ATOM 339 CA ILE A 24 12.223 -27.744 -2.056 1.00 14.44 C ATOM 340 C ILE A 24 12.401 -26.851 -0.836 1.00 20.22 C ATOM 341 O ILE A 24 13.428 -26.177 -0.690 1.00 63.42 O ATOM 342 CB ILE A 24 12.958 -29.090 -1.820 1.00 41.31 C ATOM 343 CG1 ILE A 24 12.225 -29.947 -0.778 1.00 51.34 C ATOM 344 CG2 ILE A 24 14.405 -28.856 -1.386 1.00 63.03 C ATOM 345 CD1 ILE A 24 12.900 -31.279 -0.522 1.00 72.04 C ATOM 0 H ILE A 24 13.528 -26.484 -3.096 1.00 4.03 H new ATOM 0 HA ILE A 24 11.164 -27.952 -2.208 1.00 14.44 H new ATOM 0 HB ILE A 24 12.963 -29.630 -2.767 1.00 41.31 H new ATOM 0 HG12 ILE A 24 12.161 -29.393 0.159 1.00 51.34 H new ATOM 0 HG13 ILE A 24 11.203 -30.123 -1.115 1.00 51.34 H new ATOM 0 HG21 ILE A 24 14.897 -29.816 -1.227 1.00 63.03 H new ATOM 0 HG22 ILE A 24 14.933 -28.302 -2.162 1.00 63.03 H new ATOM 0 HG23 ILE A 24 14.419 -28.284 -0.458 1.00 63.03 H new ATOM 0 HD11 ILE A 24 12.333 -31.837 0.224 1.00 72.04 H new ATOM 0 HD12 ILE A 24 12.941 -31.851 -1.449 1.00 72.04 H new ATOM 0 HD13 ILE A 24 13.913 -31.109 -0.156 1.00 72.04 H new ATOM 357 N ASN A 25 11.381 -26.811 0.012 1.00 75.55 N ATOM 358 CA ASN A 25 11.515 -26.218 1.335 1.00 14.42 C ATOM 359 C ASN A 25 11.707 -27.344 2.334 1.00 33.01 C ATOM 360 O ASN A 25 11.203 -28.455 2.126 1.00 70.04 O ATOM 361 CB ASN A 25 10.297 -25.369 1.714 1.00 41.24 C ATOM 362 CG ASN A 25 10.474 -24.652 3.046 1.00 20.01 C ATOM 363 OD1 ASN A 25 11.140 -23.621 3.128 1.00 54.42 O ATOM 364 ND2 ASN A 25 9.841 -25.167 4.089 1.00 44.54 N ATOM 0 H ASN A 25 10.453 -27.182 -0.193 1.00 75.55 H new ATOM 0 HA ASN A 25 12.373 -25.546 1.338 1.00 14.42 H new ATOM 0 HB2 ASN A 25 10.114 -24.633 0.931 1.00 41.24 H new ATOM 0 HB3 ASN A 25 9.415 -26.008 1.764 1.00 41.24 H new ATOM 0 HD21 ASN A 25 9.897 -24.707 4.998 1.00 44.54 H new ATOM 0 HD22 ASN A 25 9.298 -26.024 3.984 1.00 44.54 H new ATOM 371 N ASP A 26 12.378 -27.038 3.436 1.00 0.51 N ATOM 372 CA ASP A 26 12.904 -28.053 4.356 1.00 41.45 C ATOM 373 C ASP A 26 11.810 -28.921 4.976 1.00 23.42 C ATOM 374 O ASP A 26 12.103 -29.877 5.698 1.00 60.33 O ATOM 375 CB ASP A 26 13.755 -27.392 5.447 1.00 15.32 C ATOM 376 CG ASP A 26 15.074 -26.872 4.897 1.00 11.14 C ATOM 377 OD1 ASP A 26 15.961 -27.697 4.600 1.00 61.45 O ATOM 378 OD2 ASP A 26 15.227 -25.641 4.738 1.00 61.30 O ATOM 0 H ASP A 26 12.576 -26.080 3.723 1.00 0.51 H new ATOM 0 HA ASP A 26 13.530 -28.722 3.765 1.00 41.45 H new ATOM 0 HB2 ASP A 26 13.198 -26.569 5.894 1.00 15.32 H new ATOM 0 HB3 ASP A 26 13.951 -28.112 6.241 1.00 15.32 H new ATOM 383 N GLU A 27 10.558 -28.598 4.682 1.00 22.54 N ATOM 384 CA GLU A 27 9.432 -29.445 5.058 1.00 61.02 C ATOM 385 C GLU A 27 9.138 -30.438 3.924 1.00 61.13 C ATOM 386 O GLU A 27 8.024 -30.950 3.808 1.00 71.33 O ATOM 387 CB GLU A 27 8.195 -28.581 5.346 1.00 25.02 C ATOM 388 CG GLU A 27 8.439 -27.444 6.336 1.00 4.32 C ATOM 389 CD GLU A 27 9.032 -27.914 7.657 1.00 34.53 C ATOM 390 OE1 GLU A 27 8.398 -28.742 8.342 1.00 73.21 O ATOM 391 OE2 GLU A 27 10.130 -27.438 8.029 1.00 24.01 O ATOM 0 H GLU A 27 10.294 -27.750 4.181 1.00 22.54 H new ATOM 0 HA GLU A 27 9.683 -30.000 5.962 1.00 61.02 H new ATOM 0 HB2 GLU A 27 7.835 -28.159 4.408 1.00 25.02 H new ATOM 0 HB3 GLU A 27 7.402 -29.220 5.733 1.00 25.02 H new ATOM 0 HG2 GLU A 27 9.111 -26.715 5.883 1.00 4.32 H new ATOM 0 HG3 GLU A 27 7.497 -26.932 6.530 1.00 4.32 H new ATOM 398 N GLU A 28 10.172 -30.716 3.116 1.00 74.33 N ATOM 399 CA GLU A 28 10.069 -31.547 1.912 1.00 5.20 C ATOM 400 C GLU A 28 9.022 -31.004 0.943 1.00 42.14 C ATOM 401 O GLU A 28 8.459 -31.748 0.134 1.00 30.30 O ATOM 402 CB GLU A 28 9.770 -32.996 2.290 1.00 11.13 C ATOM 403 CG GLU A 28 10.754 -33.561 3.304 1.00 44.12 C ATOM 404 CD GLU A 28 12.162 -33.777 2.764 1.00 45.01 C ATOM 405 OE1 GLU A 28 12.866 -32.776 2.509 1.00 33.23 O ATOM 406 OE2 GLU A 28 12.580 -34.951 2.637 1.00 15.51 O ATOM 0 H GLU A 28 11.115 -30.364 3.285 1.00 74.33 H new ATOM 0 HA GLU A 28 11.030 -31.516 1.398 1.00 5.20 H new ATOM 0 HB2 GLU A 28 8.761 -33.059 2.697 1.00 11.13 H new ATOM 0 HB3 GLU A 28 9.790 -33.612 1.391 1.00 11.13 H new ATOM 0 HG2 GLU A 28 10.805 -32.885 4.157 1.00 44.12 H new ATOM 0 HG3 GLU A 28 10.370 -34.512 3.673 1.00 44.12 H new ATOM 413 N GLN A 29 8.815 -29.692 0.988 1.00 64.21 N ATOM 414 CA GLN A 29 7.804 -29.045 0.153 1.00 51.25 C ATOM 415 C GLN A 29 8.313 -28.886 -1.275 1.00 33.51 C ATOM 416 O GLN A 29 9.294 -28.187 -1.513 1.00 74.21 O ATOM 417 CB GLN A 29 7.432 -27.671 0.723 1.00 71.23 C ATOM 418 CG GLN A 29 6.658 -27.727 2.035 1.00 15.21 C ATOM 419 CD GLN A 29 6.467 -26.355 2.659 1.00 15.23 C ATOM 420 OE1 GLN A 29 7.288 -25.909 3.459 1.00 50.34 O ATOM 421 NE2 GLN A 29 5.401 -25.666 2.278 1.00 41.25 N ATOM 0 H GLN A 29 9.333 -29.054 1.593 1.00 64.21 H new ATOM 0 HA GLN A 29 6.916 -29.678 0.146 1.00 51.25 H new ATOM 0 HB2 GLN A 29 8.344 -27.095 0.877 1.00 71.23 H new ATOM 0 HB3 GLN A 29 6.836 -27.133 -0.015 1.00 71.23 H new ATOM 0 HG2 GLN A 29 5.683 -28.181 1.858 1.00 15.21 H new ATOM 0 HG3 GLN A 29 7.187 -28.371 2.737 1.00 15.21 H new ATOM 0 HE21 GLN A 29 4.743 -26.071 1.612 1.00 41.25 H new ATOM 0 HE22 GLN A 29 5.238 -24.731 2.651 1.00 41.25 H new ATOM 430 N HIS A 30 7.643 -29.545 -2.216 1.00 71.42 N ATOM 431 CA HIS A 30 7.988 -29.430 -3.632 1.00 42.33 C ATOM 432 C HIS A 30 7.304 -28.212 -4.238 1.00 72.03 C ATOM 433 O HIS A 30 6.244 -27.797 -3.767 1.00 21.01 O ATOM 434 CB HIS A 30 7.585 -30.702 -4.403 1.00 50.11 C ATOM 435 CG HIS A 30 6.121 -31.057 -4.328 1.00 63.33 C ATOM 436 ND1 HIS A 30 5.106 -30.178 -4.638 1.00 62.20 N ATOM 437 CD2 HIS A 30 5.509 -32.220 -3.994 1.00 60.32 C ATOM 438 CE1 HIS A 30 3.942 -30.785 -4.501 1.00 74.33 C ATOM 439 NE2 HIS A 30 4.155 -32.027 -4.114 1.00 40.22 N ATOM 0 H HIS A 30 6.857 -30.166 -2.024 1.00 71.42 H new ATOM 0 HA HIS A 30 9.069 -29.311 -3.712 1.00 42.33 H new ATOM 0 HB2 HIS A 30 7.859 -30.576 -5.450 1.00 50.11 H new ATOM 0 HB3 HIS A 30 8.167 -31.540 -4.020 1.00 50.11 H new ATOM 0 HD1 HIS A 30 5.234 -29.209 -4.928 1.00 62.20 H new ATOM 0 HD2 HIS A 30 5.998 -33.133 -3.689 1.00 60.32 H new ATOM 0 HE1 HIS A 30 2.975 -30.338 -4.677 1.00 74.33 H new ATOM 448 N SER A 31 7.903 -27.650 -5.279 1.00 35.33 N ATOM 449 CA SER A 31 7.338 -26.499 -5.964 1.00 44.32 C ATOM 450 C SER A 31 8.053 -26.292 -7.295 1.00 41.34 C ATOM 451 O SER A 31 9.281 -26.391 -7.369 1.00 42.53 O ATOM 452 CB SER A 31 7.460 -25.239 -5.095 1.00 53.22 C ATOM 453 OG SER A 31 6.720 -24.162 -5.642 1.00 51.33 O ATOM 0 H SER A 31 8.787 -27.977 -5.669 1.00 35.33 H new ATOM 0 HA SER A 31 6.280 -26.685 -6.150 1.00 44.32 H new ATOM 0 HB2 SER A 31 7.103 -25.454 -4.088 1.00 53.22 H new ATOM 0 HB3 SER A 31 8.509 -24.955 -5.008 1.00 53.22 H new ATOM 0 HG SER A 31 6.815 -23.374 -5.067 1.00 51.33 H new ATOM 459 N LEU A 32 7.283 -26.033 -8.346 1.00 3.13 N ATOM 460 CA LEU A 32 7.841 -25.795 -9.670 1.00 2.12 C ATOM 461 C LEU A 32 8.038 -24.296 -9.895 1.00 23.13 C ATOM 462 O LEU A 32 7.088 -23.516 -9.807 1.00 0.03 O ATOM 463 CB LEU A 32 6.923 -26.387 -10.748 1.00 20.23 C ATOM 464 CG LEU A 32 7.464 -26.307 -12.183 1.00 74.50 C ATOM 465 CD1 LEU A 32 8.822 -26.996 -12.283 1.00 31.30 C ATOM 466 CD2 LEU A 32 6.466 -26.919 -13.167 1.00 54.31 C ATOM 0 H LEU A 32 6.265 -25.983 -8.305 1.00 3.13 H new ATOM 0 HA LEU A 32 8.812 -26.286 -9.738 1.00 2.12 H new ATOM 0 HB2 LEU A 32 6.733 -27.433 -10.506 1.00 20.23 H new ATOM 0 HB3 LEU A 32 5.964 -25.871 -10.709 1.00 20.23 H new ATOM 0 HG LEU A 32 7.598 -25.257 -12.445 1.00 74.50 H new ATOM 0 HD11 LEU A 32 9.189 -26.929 -13.307 1.00 31.30 H new ATOM 0 HD12 LEU A 32 9.528 -26.508 -11.612 1.00 31.30 H new ATOM 0 HD13 LEU A 32 8.720 -28.044 -12.002 1.00 31.30 H new ATOM 0 HD21 LEU A 32 6.866 -26.854 -14.179 1.00 54.31 H new ATOM 0 HD22 LEU A 32 6.297 -27.965 -12.911 1.00 54.31 H new ATOM 0 HD23 LEU A 32 5.523 -26.375 -13.114 1.00 54.31 H new ATOM 478 N TRP A 33 9.274 -23.905 -10.190 1.00 3.12 N ATOM 479 CA TRP A 33 9.631 -22.498 -10.324 1.00 32.24 C ATOM 480 C TRP A 33 10.231 -22.234 -11.711 1.00 54.31 C ATOM 481 O TRP A 33 11.146 -22.941 -12.143 1.00 25.10 O ATOM 482 CB TRP A 33 10.627 -22.117 -9.222 1.00 63.34 C ATOM 483 CG TRP A 33 10.577 -20.668 -8.842 1.00 1.25 C ATOM 484 CD1 TRP A 33 11.467 -19.694 -9.188 1.00 61.25 C ATOM 485 CD2 TRP A 33 9.576 -20.029 -8.040 1.00 60.41 C ATOM 486 NE1 TRP A 33 11.085 -18.494 -8.646 1.00 2.11 N ATOM 487 CE2 TRP A 33 9.927 -18.672 -7.938 1.00 44.30 C ATOM 488 CE3 TRP A 33 8.416 -20.474 -7.396 1.00 13.51 C ATOM 489 CZ2 TRP A 33 9.164 -17.754 -7.221 1.00 54.44 C ATOM 490 CZ3 TRP A 33 7.657 -19.564 -6.685 1.00 3.41 C ATOM 491 CH2 TRP A 33 8.035 -18.216 -6.601 1.00 1.12 C ATOM 0 H TRP A 33 10.050 -24.549 -10.342 1.00 3.12 H new ATOM 0 HA TRP A 33 8.736 -21.885 -10.219 1.00 32.24 H new ATOM 0 HB2 TRP A 33 10.427 -22.723 -8.338 1.00 63.34 H new ATOM 0 HB3 TRP A 33 11.636 -22.362 -9.555 1.00 63.34 H new ATOM 0 HD1 TRP A 33 12.344 -19.846 -9.799 1.00 61.25 H new ATOM 0 HE1 TRP A 33 11.584 -17.611 -8.753 1.00 2.11 H new ATOM 0 HE3 TRP A 33 8.119 -21.511 -7.454 1.00 13.51 H new ATOM 0 HZ2 TRP A 33 9.453 -16.715 -7.157 1.00 54.44 H new ATOM 0 HZ3 TRP A 33 6.759 -19.896 -6.186 1.00 3.41 H new ATOM 0 HH2 TRP A 33 7.423 -17.529 -6.036 1.00 1.12 H new ATOM 502 N PRO A 34 9.716 -21.220 -12.434 1.00 25.13 N ATOM 503 CA PRO A 34 10.172 -20.902 -13.790 1.00 42.25 C ATOM 504 C PRO A 34 11.484 -20.109 -13.808 1.00 14.23 C ATOM 505 O PRO A 34 11.814 -19.405 -12.850 1.00 50.31 O ATOM 506 CB PRO A 34 9.020 -20.057 -14.341 1.00 31.40 C ATOM 507 CG PRO A 34 8.486 -19.345 -13.145 1.00 22.21 C ATOM 508 CD PRO A 34 8.645 -20.301 -11.987 1.00 51.42 C ATOM 0 HA PRO A 34 10.390 -21.797 -14.372 1.00 42.25 H new ATOM 0 HB2 PRO A 34 9.367 -19.356 -15.100 1.00 31.40 H new ATOM 0 HB3 PRO A 34 8.257 -20.680 -14.808 1.00 31.40 H new ATOM 0 HG2 PRO A 34 9.033 -18.420 -12.965 1.00 22.21 H new ATOM 0 HG3 PRO A 34 7.440 -19.074 -13.287 1.00 22.21 H new ATOM 0 HD2 PRO A 34 8.922 -19.778 -11.072 1.00 51.42 H new ATOM 0 HD3 PRO A 34 7.719 -20.837 -11.780 1.00 51.42 H new ATOM 516 N THR A 35 12.208 -20.217 -14.921 1.00 20.31 N ATOM 517 CA THR A 35 13.469 -19.500 -15.116 1.00 14.53 C ATOM 518 C THR A 35 13.259 -17.983 -15.089 1.00 24.53 C ATOM 519 O THR A 35 14.193 -17.215 -14.858 1.00 70.21 O ATOM 520 CB THR A 35 14.114 -19.902 -16.466 1.00 2.34 C ATOM 521 OG1 THR A 35 13.114 -19.890 -17.496 1.00 13.41 O ATOM 522 CG2 THR A 35 14.751 -21.288 -16.395 1.00 20.12 C ATOM 0 H THR A 35 11.939 -20.802 -15.712 1.00 20.31 H new ATOM 0 HA THR A 35 14.132 -19.774 -14.296 1.00 14.53 H new ATOM 0 HB THR A 35 14.899 -19.180 -16.692 1.00 2.34 H new ATOM 0 HG1 THR A 35 13.522 -20.143 -18.351 1.00 13.41 H new ATOM 0 HG21 THR A 35 15.193 -21.535 -17.360 1.00 20.12 H new ATOM 0 HG22 THR A 35 15.526 -21.293 -15.629 1.00 20.12 H new ATOM 0 HG23 THR A 35 13.989 -22.026 -16.145 1.00 20.12 H new ATOM 530 N PHE A 36 12.021 -17.567 -15.326 1.00 54.32 N ATOM 531 CA PHE A 36 11.668 -16.151 -15.408 1.00 23.33 C ATOM 532 C PHE A 36 11.555 -15.515 -14.017 1.00 20.31 C ATOM 533 O PHE A 36 11.367 -14.301 -13.891 1.00 11.01 O ATOM 534 CB PHE A 36 10.341 -16.012 -16.163 1.00 71.31 C ATOM 535 CG PHE A 36 10.268 -16.882 -17.398 1.00 0.31 C ATOM 536 CD1 PHE A 36 11.086 -16.628 -18.488 1.00 72.31 C ATOM 537 CD2 PHE A 36 9.388 -17.957 -17.463 1.00 21.12 C ATOM 538 CE1 PHE A 36 11.028 -17.422 -19.617 1.00 4.13 C ATOM 539 CE2 PHE A 36 9.328 -18.753 -18.592 1.00 35.02 C ATOM 540 CZ PHE A 36 10.148 -18.483 -19.671 1.00 61.34 C ATOM 0 H PHE A 36 11.233 -18.199 -15.467 1.00 54.32 H new ATOM 0 HA PHE A 36 12.460 -15.625 -15.942 1.00 23.33 H new ATOM 0 HB2 PHE A 36 9.520 -16.271 -15.494 1.00 71.31 H new ATOM 0 HB3 PHE A 36 10.201 -14.970 -16.451 1.00 71.31 H new ATOM 0 HD1 PHE A 36 11.777 -15.799 -18.454 1.00 72.31 H new ATOM 0 HD2 PHE A 36 8.745 -18.172 -16.623 1.00 21.12 H new ATOM 0 HE1 PHE A 36 11.672 -17.212 -20.458 1.00 4.13 H new ATOM 0 HE2 PHE A 36 8.641 -19.585 -18.631 1.00 35.02 H new ATOM 0 HZ PHE A 36 10.100 -19.102 -20.555 1.00 61.34 H new ATOM 550 N ALA A 37 11.672 -16.332 -12.974 1.00 31.31 N ATOM 551 CA ALA A 37 11.518 -15.858 -11.598 1.00 2.32 C ATOM 552 C ALA A 37 12.776 -16.126 -10.772 1.00 65.11 C ATOM 553 O ALA A 37 13.714 -16.770 -11.241 1.00 71.31 O ATOM 554 CB ALA A 37 10.298 -16.509 -10.954 1.00 32.12 C ATOM 0 H ALA A 37 11.874 -17.329 -13.054 1.00 31.31 H new ATOM 0 HA ALA A 37 11.368 -14.779 -11.624 1.00 2.32 H new ATOM 0 HB1 ALA A 37 10.192 -16.150 -9.930 1.00 32.12 H new ATOM 0 HB2 ALA A 37 9.405 -16.251 -11.523 1.00 32.12 H new ATOM 0 HB3 ALA A 37 10.424 -17.592 -10.948 1.00 32.12 H new ATOM 560 N ASP A 38 12.795 -15.615 -9.541 1.00 62.40 N ATOM 561 CA ASP A 38 13.938 -15.793 -8.640 1.00 71.51 C ATOM 562 C ASP A 38 13.630 -16.849 -7.590 1.00 32.04 C ATOM 563 O ASP A 38 12.519 -16.890 -7.059 1.00 55.21 O ATOM 564 CB ASP A 38 14.292 -14.477 -7.935 1.00 73.44 C ATOM 565 CG ASP A 38 14.712 -13.389 -8.900 1.00 11.53 C ATOM 566 OD1 ASP A 38 15.884 -13.391 -9.332 1.00 12.15 O ATOM 567 OD2 ASP A 38 13.874 -12.525 -9.231 1.00 71.03 O ATOM 0 H ASP A 38 12.029 -15.072 -9.142 1.00 62.40 H new ATOM 0 HA ASP A 38 14.786 -16.114 -9.244 1.00 71.51 H new ATOM 0 HB2 ASP A 38 13.431 -14.135 -7.361 1.00 73.44 H new ATOM 0 HB3 ASP A 38 15.098 -14.657 -7.224 1.00 73.44 H new ATOM 572 N VAL A 39 14.618 -17.685 -7.288 1.00 54.22 N ATOM 573 CA VAL A 39 14.477 -18.718 -6.264 1.00 43.22 C ATOM 574 C VAL A 39 14.257 -18.071 -4.890 1.00 15.13 C ATOM 575 O VAL A 39 15.135 -17.360 -4.395 1.00 15.20 O ATOM 576 CB VAL A 39 15.732 -19.631 -6.212 1.00 24.11 C ATOM 577 CG1 VAL A 39 15.586 -20.712 -5.141 1.00 4.21 C ATOM 578 CG2 VAL A 39 16.002 -20.256 -7.579 1.00 12.12 C ATOM 0 H VAL A 39 15.532 -17.668 -7.741 1.00 54.22 H new ATOM 0 HA VAL A 39 13.614 -19.331 -6.523 1.00 43.22 H new ATOM 0 HB VAL A 39 16.587 -19.010 -5.944 1.00 24.11 H new ATOM 0 HG11 VAL A 39 16.480 -21.335 -5.129 1.00 4.21 H new ATOM 0 HG12 VAL A 39 15.457 -20.243 -4.166 1.00 4.21 H new ATOM 0 HG13 VAL A 39 14.716 -21.330 -5.364 1.00 4.21 H new ATOM 0 HG21 VAL A 39 16.885 -20.892 -7.520 1.00 12.12 H new ATOM 0 HG22 VAL A 39 15.143 -20.855 -7.881 1.00 12.12 H new ATOM 0 HG23 VAL A 39 16.170 -19.468 -8.313 1.00 12.12 H new ATOM 588 N PRO A 40 13.078 -18.289 -4.271 1.00 15.15 N ATOM 589 CA PRO A 40 12.742 -17.683 -2.974 1.00 14.42 C ATOM 590 C PRO A 40 13.606 -18.230 -1.834 1.00 75.04 C ATOM 591 O PRO A 40 13.845 -19.442 -1.738 1.00 54.23 O ATOM 592 CB PRO A 40 11.261 -18.050 -2.772 1.00 2.52 C ATOM 593 CG PRO A 40 11.054 -19.271 -3.604 1.00 3.34 C ATOM 594 CD PRO A 40 11.979 -19.134 -4.784 1.00 13.40 C ATOM 0 HA PRO A 40 12.923 -16.608 -2.967 1.00 14.42 H new ATOM 0 HB2 PRO A 40 11.041 -18.245 -1.722 1.00 2.52 H new ATOM 0 HB3 PRO A 40 10.606 -17.239 -3.090 1.00 2.52 H new ATOM 0 HG2 PRO A 40 11.279 -20.173 -3.035 1.00 3.34 H new ATOM 0 HG3 PRO A 40 10.017 -19.350 -3.929 1.00 3.34 H new ATOM 0 HD2 PRO A 40 12.344 -20.104 -5.122 1.00 13.40 H new ATOM 0 HD3 PRO A 40 11.479 -18.668 -5.633 1.00 13.40 H new ATOM 602 N ALA A 41 14.069 -17.322 -0.974 1.00 33.41 N ATOM 603 CA ALA A 41 14.928 -17.681 0.149 1.00 52.11 C ATOM 604 C ALA A 41 14.266 -18.749 1.018 1.00 43.14 C ATOM 605 O ALA A 41 13.113 -18.604 1.432 1.00 23.12 O ATOM 606 CB ALA A 41 15.264 -16.445 0.976 1.00 52.40 C ATOM 0 H ALA A 41 13.860 -16.326 -1.037 1.00 33.41 H new ATOM 0 HA ALA A 41 15.856 -18.095 -0.246 1.00 52.11 H new ATOM 0 HB1 ALA A 41 15.906 -16.729 1.810 1.00 52.40 H new ATOM 0 HB2 ALA A 41 15.783 -15.719 0.350 1.00 52.40 H new ATOM 0 HB3 ALA A 41 14.344 -16.003 1.359 1.00 52.40 H new ATOM 612 N GLY A 42 15.005 -19.821 1.276 1.00 10.21 N ATOM 613 CA GLY A 42 14.480 -20.937 2.040 1.00 25.41 C ATOM 614 C GLY A 42 14.245 -22.145 1.161 1.00 61.12 C ATOM 615 O GLY A 42 14.330 -23.288 1.618 1.00 34.40 O ATOM 0 H GLY A 42 15.970 -19.938 0.966 1.00 10.21 H new ATOM 0 HA2 GLY A 42 15.178 -21.195 2.837 1.00 25.41 H new ATOM 0 HA3 GLY A 42 13.545 -20.645 2.518 1.00 25.41 H new ATOM 619 N TRP A 43 13.971 -21.890 -0.116 1.00 42.44 N ATOM 620 CA TRP A 43 13.762 -22.952 -1.090 1.00 35.33 C ATOM 621 C TRP A 43 15.050 -23.192 -1.870 1.00 5.14 C ATOM 622 O TRP A 43 15.681 -22.243 -2.344 1.00 44.43 O ATOM 623 CB TRP A 43 12.625 -22.580 -2.053 1.00 0.31 C ATOM 624 CG TRP A 43 11.297 -22.381 -1.375 1.00 11.10 C ATOM 625 CD1 TRP A 43 10.919 -21.317 -0.601 1.00 10.04 C ATOM 626 CD2 TRP A 43 10.169 -23.266 -1.418 1.00 4.32 C ATOM 627 NE1 TRP A 43 9.629 -21.488 -0.163 1.00 32.12 N ATOM 628 CE2 TRP A 43 9.147 -22.675 -0.651 1.00 30.42 C ATOM 629 CE3 TRP A 43 9.924 -24.499 -2.031 1.00 65.54 C ATOM 630 CZ2 TRP A 43 7.903 -23.274 -0.480 1.00 31.21 C ATOM 631 CZ3 TRP A 43 8.688 -25.092 -1.862 1.00 1.13 C ATOM 632 CH2 TRP A 43 7.690 -24.478 -1.091 1.00 1.41 C ATOM 0 H TRP A 43 13.889 -20.949 -0.500 1.00 42.44 H new ATOM 0 HA TRP A 43 13.484 -23.865 -0.563 1.00 35.33 H new ATOM 0 HB2 TRP A 43 12.893 -21.665 -2.581 1.00 0.31 H new ATOM 0 HB3 TRP A 43 12.526 -23.364 -2.803 1.00 0.31 H new ATOM 0 HD1 TRP A 43 11.544 -20.467 -0.369 1.00 10.04 H new ATOM 0 HE1 TRP A 43 9.113 -20.837 0.429 1.00 32.12 H new ATOM 0 HE3 TRP A 43 10.687 -24.979 -2.626 1.00 65.54 H new ATOM 0 HZ2 TRP A 43 7.133 -22.804 0.114 1.00 31.21 H new ATOM 0 HZ3 TRP A 43 8.487 -26.044 -2.331 1.00 1.13 H new ATOM 0 HH2 TRP A 43 6.734 -24.967 -0.978 1.00 1.41 H new ATOM 643 N ARG A 44 15.456 -24.450 -1.984 1.00 11.32 N ATOM 644 CA ARG A 44 16.670 -24.798 -2.722 1.00 5.43 C ATOM 645 C ARG A 44 16.314 -25.622 -3.956 1.00 3.31 C ATOM 646 O ARG A 44 15.355 -26.400 -3.942 1.00 13.14 O ATOM 647 CB ARG A 44 17.654 -25.555 -1.814 1.00 25.21 C ATOM 648 CG ARG A 44 17.149 -26.911 -1.335 1.00 12.21 C ATOM 649 CD ARG A 44 18.087 -27.537 -0.308 1.00 42.25 C ATOM 650 NE ARG A 44 17.635 -28.868 0.115 1.00 33.10 N ATOM 651 CZ ARG A 44 16.939 -29.108 1.233 1.00 75.23 C ATOM 652 NH1 ARG A 44 16.552 -28.103 2.008 1.00 51.22 N ATOM 653 NH2 ARG A 44 16.619 -30.354 1.563 1.00 70.20 N ATOM 0 H ARG A 44 14.966 -25.247 -1.577 1.00 11.32 H new ATOM 0 HA ARG A 44 17.159 -23.881 -3.052 1.00 5.43 H new ATOM 0 HB2 ARG A 44 18.590 -25.699 -2.353 1.00 25.21 H new ATOM 0 HB3 ARG A 44 17.878 -24.936 -0.945 1.00 25.21 H new ATOM 0 HG2 ARG A 44 16.157 -26.795 -0.898 1.00 12.21 H new ATOM 0 HG3 ARG A 44 17.045 -27.582 -2.188 1.00 12.21 H new ATOM 0 HD2 ARG A 44 19.089 -27.613 -0.731 1.00 42.25 H new ATOM 0 HD3 ARG A 44 18.157 -26.885 0.563 1.00 42.25 H new ATOM 0 HE ARG A 44 17.866 -29.662 -0.482 1.00 33.10 H new ATOM 0 HH11 ARG A 44 16.785 -27.143 1.753 1.00 51.22 H new ATOM 0 HH12 ARG A 44 16.022 -28.290 2.859 1.00 51.22 H new ATOM 0 HH21 ARG A 44 16.904 -31.129 0.964 1.00 70.20 H new ATOM 0 HH22 ARG A 44 16.089 -30.536 2.415 1.00 70.20 H new ATOM 667 N VAL A 45 17.077 -25.424 -5.026 1.00 33.52 N ATOM 668 CA VAL A 45 16.841 -26.113 -6.288 1.00 3.11 C ATOM 669 C VAL A 45 17.252 -27.579 -6.182 1.00 0.20 C ATOM 670 O VAL A 45 18.424 -27.882 -5.949 1.00 14.01 O ATOM 671 CB VAL A 45 17.643 -25.466 -7.446 1.00 42.52 C ATOM 672 CG1 VAL A 45 17.287 -26.133 -8.772 1.00 31.31 C ATOM 673 CG2 VAL A 45 17.407 -23.959 -7.513 1.00 40.23 C ATOM 0 H VAL A 45 17.872 -24.785 -5.042 1.00 33.52 H new ATOM 0 HA VAL A 45 15.775 -26.034 -6.500 1.00 3.11 H new ATOM 0 HB VAL A 45 18.704 -25.622 -7.252 1.00 42.52 H new ATOM 0 HG11 VAL A 45 17.857 -25.669 -9.577 1.00 31.31 H new ATOM 0 HG12 VAL A 45 17.528 -27.195 -8.721 1.00 31.31 H new ATOM 0 HG13 VAL A 45 16.221 -26.012 -8.966 1.00 31.31 H new ATOM 0 HG21 VAL A 45 17.984 -23.537 -8.336 1.00 40.23 H new ATOM 0 HG22 VAL A 45 16.347 -23.764 -7.675 1.00 40.23 H new ATOM 0 HG23 VAL A 45 17.721 -23.499 -6.576 1.00 40.23 H new ATOM 683 N VAL A 46 16.294 -28.484 -6.335 1.00 33.24 N ATOM 684 CA VAL A 46 16.590 -29.917 -6.353 1.00 13.35 C ATOM 685 C VAL A 46 16.715 -30.393 -7.792 1.00 21.32 C ATOM 686 O VAL A 46 17.542 -31.249 -8.113 1.00 22.43 O ATOM 687 CB VAL A 46 15.490 -30.742 -5.634 1.00 43.02 C ATOM 688 CG1 VAL A 46 15.099 -30.064 -4.338 1.00 54.42 C ATOM 689 CG2 VAL A 46 14.259 -30.947 -6.516 1.00 11.10 C ATOM 0 H VAL A 46 15.306 -28.255 -6.448 1.00 33.24 H new ATOM 0 HA VAL A 46 17.529 -30.069 -5.820 1.00 13.35 H new ATOM 0 HB VAL A 46 15.904 -31.727 -5.419 1.00 43.02 H new ATOM 0 HG11 VAL A 46 14.326 -30.650 -3.840 1.00 54.42 H new ATOM 0 HG12 VAL A 46 15.972 -29.988 -3.689 1.00 54.42 H new ATOM 0 HG13 VAL A 46 14.717 -29.066 -4.551 1.00 54.42 H new ATOM 0 HG21 VAL A 46 13.515 -31.529 -5.973 1.00 11.10 H new ATOM 0 HG22 VAL A 46 13.837 -29.978 -6.783 1.00 11.10 H new ATOM 0 HG23 VAL A 46 14.546 -31.480 -7.423 1.00 11.10 H new ATOM 699 N PHE A 47 15.900 -29.808 -8.658 1.00 63.21 N ATOM 700 CA PHE A 47 15.846 -30.201 -10.059 1.00 72.55 C ATOM 701 C PHE A 47 16.151 -28.984 -10.915 1.00 11.21 C ATOM 702 O PHE A 47 15.452 -27.979 -10.815 1.00 10.30 O ATOM 703 CB PHE A 47 14.449 -30.761 -10.386 1.00 21.25 C ATOM 704 CG PHE A 47 14.424 -31.754 -11.520 1.00 31.24 C ATOM 705 CD1 PHE A 47 14.743 -31.372 -12.816 1.00 33.42 C ATOM 706 CD2 PHE A 47 14.083 -33.076 -11.283 1.00 35.11 C ATOM 707 CE1 PHE A 47 14.720 -32.291 -13.849 1.00 40.53 C ATOM 708 CE2 PHE A 47 14.057 -33.996 -12.312 1.00 61.52 C ATOM 709 CZ PHE A 47 14.377 -33.603 -13.595 1.00 51.14 C ATOM 0 H PHE A 47 15.261 -29.052 -8.412 1.00 63.21 H new ATOM 0 HA PHE A 47 16.582 -30.979 -10.264 1.00 72.55 H new ATOM 0 HB2 PHE A 47 14.044 -31.238 -9.493 1.00 21.25 H new ATOM 0 HB3 PHE A 47 13.787 -29.931 -10.632 1.00 21.25 H new ATOM 0 HD1 PHE A 47 15.012 -30.346 -13.020 1.00 33.42 H new ATOM 0 HD2 PHE A 47 13.834 -33.391 -10.280 1.00 35.11 H new ATOM 0 HE1 PHE A 47 14.970 -31.982 -14.853 1.00 40.53 H new ATOM 0 HE2 PHE A 47 13.786 -35.022 -12.113 1.00 61.52 H new ATOM 0 HZ PHE A 47 14.359 -34.322 -14.400 1.00 51.14 H new ATOM 719 N GLY A 48 17.205 -29.067 -11.725 1.00 65.51 N ATOM 720 CA GLY A 48 17.602 -27.949 -12.565 1.00 3.32 C ATOM 721 C GLY A 48 16.549 -27.600 -13.598 1.00 73.14 C ATOM 722 O GLY A 48 15.612 -28.371 -13.817 1.00 32.53 O ATOM 0 H GLY A 48 17.794 -29.895 -11.814 1.00 65.51 H new ATOM 0 HA2 GLY A 48 17.795 -27.078 -11.939 1.00 3.32 H new ATOM 0 HA3 GLY A 48 18.537 -28.192 -13.071 1.00 3.32 H new ATOM 726 N GLU A 49 16.698 -26.434 -14.230 1.00 43.12 N ATOM 727 CA GLU A 49 15.757 -25.991 -15.252 1.00 43.14 C ATOM 728 C GLU A 49 15.632 -27.047 -16.354 1.00 60.45 C ATOM 729 O GLU A 49 16.571 -27.294 -17.111 1.00 2.22 O ATOM 730 CB GLU A 49 16.181 -24.629 -15.828 1.00 51.44 C ATOM 731 CG GLU A 49 17.633 -24.554 -16.280 1.00 44.04 C ATOM 732 CD GLU A 49 17.996 -23.184 -16.832 1.00 14.21 C ATOM 733 OE1 GLU A 49 17.739 -22.934 -18.027 1.00 54.24 O ATOM 734 OE2 GLU A 49 18.532 -22.351 -16.069 1.00 63.23 O ATOM 0 H GLU A 49 17.462 -25.782 -14.050 1.00 43.12 H new ATOM 0 HA GLU A 49 14.777 -25.865 -14.793 1.00 43.14 H new ATOM 0 HB2 GLU A 49 15.538 -24.392 -16.676 1.00 51.44 H new ATOM 0 HB3 GLU A 49 16.009 -23.861 -15.073 1.00 51.44 H new ATOM 0 HG2 GLU A 49 18.286 -24.789 -15.439 1.00 44.04 H new ATOM 0 HG3 GLU A 49 17.813 -25.310 -17.044 1.00 44.04 H new ATOM 741 N ALA A 50 14.467 -27.675 -16.413 1.00 15.04 N ATOM 742 CA ALA A 50 14.222 -28.790 -17.323 1.00 15.21 C ATOM 743 C ALA A 50 12.807 -28.737 -17.884 1.00 3.12 C ATOM 744 O ALA A 50 11.971 -27.963 -17.411 1.00 24.11 O ATOM 745 CB ALA A 50 14.459 -30.114 -16.610 1.00 15.15 C ATOM 0 H ALA A 50 13.665 -27.428 -15.834 1.00 15.04 H new ATOM 0 HA ALA A 50 14.920 -28.708 -18.156 1.00 15.21 H new ATOM 0 HB1 ALA A 50 14.273 -30.937 -17.300 1.00 15.15 H new ATOM 0 HB2 ALA A 50 15.490 -30.160 -16.261 1.00 15.15 H new ATOM 0 HB3 ALA A 50 13.784 -30.195 -15.758 1.00 15.15 H new ATOM 751 N SER A 51 12.562 -29.538 -18.917 1.00 24.24 N ATOM 752 CA SER A 51 11.251 -29.607 -19.554 1.00 52.43 C ATOM 753 C SER A 51 10.155 -29.916 -18.528 1.00 62.51 C ATOM 754 O SER A 51 10.371 -30.680 -17.579 1.00 55.12 O ATOM 755 CB SER A 51 11.254 -30.669 -20.660 1.00 22.31 C ATOM 756 OG SER A 51 10.009 -30.707 -21.336 1.00 22.35 O ATOM 0 H SER A 51 13.261 -30.153 -19.333 1.00 24.24 H new ATOM 0 HA SER A 51 11.038 -28.634 -19.996 1.00 52.43 H new ATOM 0 HB2 SER A 51 12.051 -30.455 -21.372 1.00 22.31 H new ATOM 0 HB3 SER A 51 11.467 -31.647 -20.228 1.00 22.31 H new ATOM 0 HG SER A 51 10.038 -31.391 -22.037 1.00 22.35 H new ATOM 762 N ARG A 52 8.978 -29.332 -18.755 1.00 22.34 N ATOM 763 CA ARG A 52 7.843 -29.428 -17.836 1.00 33.32 C ATOM 764 C ARG A 52 7.591 -30.870 -17.389 1.00 54.14 C ATOM 765 O ARG A 52 7.364 -31.131 -16.206 1.00 52.31 O ATOM 766 CB ARG A 52 6.582 -28.877 -18.519 1.00 3.52 C ATOM 767 CG ARG A 52 5.360 -28.783 -17.608 1.00 42.23 C ATOM 768 CD ARG A 52 5.532 -27.718 -16.532 1.00 23.53 C ATOM 769 NE ARG A 52 4.319 -27.549 -15.730 1.00 22.00 N ATOM 770 CZ ARG A 52 3.533 -26.471 -15.779 1.00 21.21 C ATOM 771 NH1 ARG A 52 3.808 -25.474 -16.612 1.00 61.40 N ATOM 772 NH2 ARG A 52 2.467 -26.401 -14.999 1.00 1.50 N ATOM 0 H ARG A 52 8.784 -28.775 -19.587 1.00 22.34 H new ATOM 0 HA ARG A 52 8.081 -28.840 -16.950 1.00 33.32 H new ATOM 0 HB2 ARG A 52 6.802 -27.885 -18.915 1.00 3.52 H new ATOM 0 HB3 ARG A 52 6.337 -29.513 -19.370 1.00 3.52 H new ATOM 0 HG2 ARG A 52 4.478 -28.555 -18.207 1.00 42.23 H new ATOM 0 HG3 ARG A 52 5.184 -29.750 -17.137 1.00 42.23 H new ATOM 0 HD2 ARG A 52 6.362 -27.991 -15.881 1.00 23.53 H new ATOM 0 HD3 ARG A 52 5.793 -26.769 -17.000 1.00 23.53 H new ATOM 0 HE ARG A 52 4.058 -28.302 -15.094 1.00 22.00 H new ATOM 0 HH11 ARG A 52 4.625 -25.528 -17.221 1.00 61.40 H new ATOM 0 HH12 ARG A 52 3.202 -24.654 -16.643 1.00 61.40 H new ATOM 0 HH21 ARG A 52 2.249 -27.169 -14.364 1.00 1.50 H new ATOM 0 HH22 ARG A 52 1.863 -25.579 -15.033 1.00 1.50 H new ATOM 786 N ALA A 53 7.643 -31.797 -18.340 1.00 30.50 N ATOM 787 CA ALA A 53 7.310 -33.196 -18.079 1.00 22.15 C ATOM 788 C ALA A 53 8.240 -33.815 -17.036 1.00 62.54 C ATOM 789 O ALA A 53 7.788 -34.520 -16.135 1.00 54.12 O ATOM 790 CB ALA A 53 7.351 -33.996 -19.374 1.00 32.44 C ATOM 0 H ALA A 53 7.914 -31.604 -19.304 1.00 30.50 H new ATOM 0 HA ALA A 53 6.299 -33.227 -17.673 1.00 22.15 H new ATOM 0 HB1 ALA A 53 7.101 -35.037 -19.167 1.00 32.44 H new ATOM 0 HB2 ALA A 53 6.630 -33.583 -20.080 1.00 32.44 H new ATOM 0 HB3 ALA A 53 8.351 -33.942 -19.804 1.00 32.44 H new ATOM 796 N SER A 54 9.535 -33.540 -17.156 1.00 73.43 N ATOM 797 CA SER A 54 10.522 -34.071 -16.220 1.00 14.52 C ATOM 798 C SER A 54 10.257 -33.526 -14.815 1.00 44.42 C ATOM 799 O SER A 54 10.264 -34.265 -13.820 1.00 24.13 O ATOM 800 CB SER A 54 11.932 -33.696 -16.688 1.00 35.32 C ATOM 801 OG SER A 54 12.138 -34.100 -18.032 1.00 32.13 O ATOM 0 H SER A 54 9.926 -32.952 -17.892 1.00 73.43 H new ATOM 0 HA SER A 54 10.442 -35.158 -16.188 1.00 14.52 H new ATOM 0 HB2 SER A 54 12.075 -32.619 -16.601 1.00 35.32 H new ATOM 0 HB3 SER A 54 12.673 -34.169 -16.043 1.00 35.32 H new ATOM 0 HG SER A 54 13.043 -33.851 -18.314 1.00 32.13 H new ATOM 807 N CYS A 55 9.994 -32.227 -14.755 1.00 64.42 N ATOM 808 CA CYS A 55 9.705 -31.551 -13.502 1.00 0.12 C ATOM 809 C CYS A 55 8.479 -32.173 -12.831 1.00 61.34 C ATOM 810 O CYS A 55 8.514 -32.501 -11.644 1.00 2.11 O ATOM 811 CB CYS A 55 9.473 -30.063 -13.766 1.00 24.25 C ATOM 812 SG CYS A 55 10.762 -29.300 -14.774 1.00 34.22 S ATOM 0 H CYS A 55 9.976 -31.616 -15.572 1.00 64.42 H new ATOM 0 HA CYS A 55 10.555 -31.665 -12.830 1.00 0.12 H new ATOM 0 HB2 CYS A 55 8.511 -29.936 -14.263 1.00 24.25 H new ATOM 0 HB3 CYS A 55 9.410 -29.539 -12.813 1.00 24.25 H new ATOM 0 HG CYS A 55 11.276 -28.293 -14.132 1.00 34.22 H new ATOM 818 N VAL A 56 7.410 -32.348 -13.608 1.00 30.54 N ATOM 819 CA VAL A 56 6.185 -32.975 -13.117 1.00 40.14 C ATOM 820 C VAL A 56 6.472 -34.402 -12.661 1.00 14.44 C ATOM 821 O VAL A 56 5.974 -34.850 -11.627 1.00 25.45 O ATOM 822 CB VAL A 56 5.077 -32.991 -14.206 1.00 40.34 C ATOM 823 CG1 VAL A 56 3.836 -33.738 -13.713 1.00 63.11 C ATOM 824 CG2 VAL A 56 4.718 -31.566 -14.631 1.00 22.04 C ATOM 0 H VAL A 56 7.369 -32.062 -14.586 1.00 30.54 H new ATOM 0 HA VAL A 56 5.827 -32.385 -12.274 1.00 40.14 H new ATOM 0 HB VAL A 56 5.465 -33.521 -15.076 1.00 40.34 H new ATOM 0 HG11 VAL A 56 3.075 -33.735 -14.494 1.00 63.11 H new ATOM 0 HG12 VAL A 56 4.103 -34.767 -13.471 1.00 63.11 H new ATOM 0 HG13 VAL A 56 3.444 -33.245 -12.823 1.00 63.11 H new ATOM 0 HG21 VAL A 56 3.940 -31.599 -15.394 1.00 22.04 H new ATOM 0 HG22 VAL A 56 4.355 -31.009 -13.767 1.00 22.04 H new ATOM 0 HG23 VAL A 56 5.602 -31.073 -15.035 1.00 22.04 H new ATOM 834 N GLU A 57 7.296 -35.097 -13.438 1.00 20.53 N ATOM 835 CA GLU A 57 7.693 -36.468 -13.136 1.00 63.13 C ATOM 836 C GLU A 57 8.318 -36.551 -11.742 1.00 50.11 C ATOM 837 O GLU A 57 8.013 -37.463 -10.967 1.00 23.30 O ATOM 838 CB GLU A 57 8.675 -36.963 -14.206 1.00 41.24 C ATOM 839 CG GLU A 57 9.153 -38.397 -14.012 1.00 22.23 C ATOM 840 CD GLU A 57 10.051 -38.865 -15.144 1.00 72.21 C ATOM 841 OE1 GLU A 57 11.261 -38.557 -15.117 1.00 2.33 O ATOM 842 OE2 GLU A 57 9.547 -39.534 -16.073 1.00 62.23 O ATOM 0 H GLU A 57 7.707 -34.726 -14.295 1.00 20.53 H new ATOM 0 HA GLU A 57 6.811 -37.108 -13.144 1.00 63.13 H new ATOM 0 HB2 GLU A 57 8.199 -36.881 -15.183 1.00 41.24 H new ATOM 0 HB3 GLU A 57 9.542 -36.303 -14.218 1.00 41.24 H new ATOM 0 HG2 GLU A 57 9.693 -38.473 -13.068 1.00 22.23 H new ATOM 0 HG3 GLU A 57 8.290 -39.058 -13.939 1.00 22.23 H new ATOM 849 N TYR A 58 9.185 -35.593 -11.423 1.00 31.40 N ATOM 850 CA TYR A 58 9.795 -35.534 -10.095 1.00 21.01 C ATOM 851 C TYR A 58 8.774 -35.128 -9.027 1.00 34.14 C ATOM 852 O TYR A 58 8.627 -35.805 -8.007 1.00 14.54 O ATOM 853 CB TYR A 58 10.979 -34.562 -10.068 1.00 21.12 C ATOM 854 CG TYR A 58 11.491 -34.326 -8.659 1.00 75.13 C ATOM 855 CD1 TYR A 58 12.191 -35.315 -7.971 1.00 72.45 C ATOM 856 CD2 TYR A 58 11.228 -33.135 -7.998 1.00 60.21 C ATOM 857 CE1 TYR A 58 12.621 -35.112 -6.672 1.00 61.43 C ATOM 858 CE2 TYR A 58 11.646 -32.933 -6.700 1.00 50.22 C ATOM 859 CZ TYR A 58 12.342 -33.920 -6.041 1.00 32.20 C ATOM 860 OH TYR A 58 12.741 -33.717 -4.738 1.00 3.54 O ATOM 0 H TYR A 58 9.480 -34.852 -12.059 1.00 31.40 H new ATOM 0 HA TYR A 58 10.158 -36.537 -9.869 1.00 21.01 H new ATOM 0 HB2 TYR A 58 11.786 -34.957 -10.685 1.00 21.12 H new ATOM 0 HB3 TYR A 58 10.677 -33.611 -10.508 1.00 21.12 H new ATOM 0 HD1 TYR A 58 12.401 -36.255 -8.460 1.00 72.45 H new ATOM 0 HD2 TYR A 58 10.687 -32.353 -8.509 1.00 60.21 H new ATOM 0 HE1 TYR A 58 13.172 -35.884 -6.156 1.00 61.43 H new ATOM 0 HE2 TYR A 58 11.427 -32.001 -6.201 1.00 50.22 H new ATOM 0 HH TYR A 58 12.268 -34.342 -4.150 1.00 3.54 H new ATOM 870 N VAL A 59 8.088 -34.010 -9.254 1.00 73.44 N ATOM 871 CA VAL A 59 7.090 -33.506 -8.303 1.00 43.10 C ATOM 872 C VAL A 59 6.067 -34.591 -7.949 1.00 65.21 C ATOM 873 O VAL A 59 5.573 -34.651 -6.821 1.00 73.20 O ATOM 874 CB VAL A 59 6.358 -32.256 -8.862 1.00 52.21 C ATOM 875 CG1 VAL A 59 5.244 -31.788 -7.923 1.00 2.35 C ATOM 876 CG2 VAL A 59 7.351 -31.124 -9.117 1.00 61.22 C ATOM 0 H VAL A 59 8.202 -33.433 -10.087 1.00 73.44 H new ATOM 0 HA VAL A 59 7.625 -33.219 -7.398 1.00 43.10 H new ATOM 0 HB VAL A 59 5.896 -32.540 -9.808 1.00 52.21 H new ATOM 0 HG11 VAL A 59 4.755 -30.911 -8.348 1.00 2.35 H new ATOM 0 HG12 VAL A 59 4.513 -32.587 -7.799 1.00 2.35 H new ATOM 0 HG13 VAL A 59 5.670 -31.532 -6.953 1.00 2.35 H new ATOM 0 HG21 VAL A 59 6.821 -30.256 -9.509 1.00 61.22 H new ATOM 0 HG22 VAL A 59 7.845 -30.856 -8.183 1.00 61.22 H new ATOM 0 HG23 VAL A 59 8.097 -31.451 -9.842 1.00 61.22 H new ATOM 886 N ASP A 60 5.781 -35.455 -8.917 1.00 75.12 N ATOM 887 CA ASP A 60 4.841 -36.564 -8.735 1.00 61.12 C ATOM 888 C ASP A 60 5.324 -37.517 -7.638 1.00 13.10 C ATOM 889 O ASP A 60 4.585 -37.839 -6.706 1.00 12.42 O ATOM 890 CB ASP A 60 4.684 -37.332 -10.060 1.00 0.13 C ATOM 891 CG ASP A 60 3.601 -38.403 -10.018 1.00 0.51 C ATOM 892 OD1 ASP A 60 3.860 -39.510 -9.501 1.00 73.32 O ATOM 893 OD2 ASP A 60 2.491 -38.152 -10.535 1.00 71.44 O ATOM 0 H ASP A 60 6.191 -35.410 -9.850 1.00 75.12 H new ATOM 0 HA ASP A 60 3.878 -36.154 -8.432 1.00 61.12 H new ATOM 0 HB2 ASP A 60 4.453 -36.624 -10.856 1.00 0.13 H new ATOM 0 HB3 ASP A 60 5.635 -37.799 -10.315 1.00 0.13 H new ATOM 898 N GLN A 61 6.580 -37.947 -7.746 1.00 23.32 N ATOM 899 CA GLN A 61 7.129 -38.966 -6.849 1.00 62.44 C ATOM 900 C GLN A 61 7.418 -38.393 -5.454 1.00 1.45 C ATOM 901 O GLN A 61 7.260 -39.084 -4.446 1.00 71.45 O ATOM 902 CB GLN A 61 8.406 -39.579 -7.454 1.00 35.42 C ATOM 903 CG GLN A 61 9.581 -38.608 -7.562 1.00 44.34 C ATOM 904 CD GLN A 61 10.756 -39.175 -8.342 1.00 0.31 C ATOM 905 OE1 GLN A 61 10.582 -39.980 -9.257 1.00 50.34 O ATOM 906 NE2 GLN A 61 11.961 -38.757 -7.989 1.00 74.24 N ATOM 0 H GLN A 61 7.238 -37.606 -8.446 1.00 23.32 H new ATOM 0 HA GLN A 61 6.379 -39.749 -6.736 1.00 62.44 H new ATOM 0 HB2 GLN A 61 8.709 -40.431 -6.846 1.00 35.42 H new ATOM 0 HB3 GLN A 61 8.175 -39.963 -8.448 1.00 35.42 H new ATOM 0 HG2 GLN A 61 9.243 -37.690 -8.043 1.00 44.34 H new ATOM 0 HG3 GLN A 61 9.915 -38.338 -6.560 1.00 44.34 H new ATOM 0 HE21 GLN A 61 12.066 -38.089 -7.225 1.00 74.24 H new ATOM 0 HE22 GLN A 61 12.785 -39.103 -8.481 1.00 74.24 H new ATOM 915 N HIS A 62 7.806 -37.119 -5.402 1.00 24.43 N ATOM 916 CA HIS A 62 8.206 -36.476 -4.142 1.00 12.13 C ATOM 917 C HIS A 62 6.981 -36.004 -3.344 1.00 73.21 C ATOM 918 O HIS A 62 7.101 -35.232 -2.397 1.00 73.04 O ATOM 919 CB HIS A 62 9.162 -35.300 -4.434 1.00 15.25 C ATOM 920 CG HIS A 62 9.882 -34.768 -3.220 1.00 73.13 C ATOM 921 ND1 HIS A 62 11.133 -35.199 -2.835 1.00 73.44 N ATOM 922 CD2 HIS A 62 9.521 -33.826 -2.314 1.00 44.25 C ATOM 923 CE1 HIS A 62 11.506 -34.550 -1.747 1.00 2.04 C ATOM 924 NE2 HIS A 62 10.544 -33.710 -1.410 1.00 65.22 N ATOM 0 H HIS A 62 7.853 -36.508 -6.217 1.00 24.43 H new ATOM 0 HA HIS A 62 8.729 -37.210 -3.530 1.00 12.13 H new ATOM 0 HB2 HIS A 62 9.901 -35.622 -5.168 1.00 15.25 H new ATOM 0 HB3 HIS A 62 8.593 -34.489 -4.889 1.00 15.25 H new ATOM 0 HD2 HIS A 62 8.596 -33.269 -2.306 1.00 44.25 H new ATOM 0 HE1 HIS A 62 12.440 -34.684 -1.221 1.00 2.04 H new ATOM 0 HE2 HIS A 62 10.560 -33.079 -0.609 1.00 65.22 H new ATOM 933 N TRP A 63 5.797 -36.464 -3.736 1.00 60.44 N ATOM 934 CA TRP A 63 4.560 -36.065 -3.068 1.00 71.34 C ATOM 935 C TRP A 63 4.410 -36.758 -1.706 1.00 41.12 C ATOM 936 O TRP A 63 3.718 -36.256 -0.819 1.00 70.10 O ATOM 937 CB TRP A 63 3.353 -36.388 -3.964 1.00 63.22 C ATOM 938 CG TRP A 63 2.036 -35.931 -3.399 1.00 41.44 C ATOM 939 CD1 TRP A 63 1.597 -34.642 -3.284 1.00 1.51 C ATOM 940 CD2 TRP A 63 0.986 -36.759 -2.881 1.00 15.33 C ATOM 941 NE1 TRP A 63 0.342 -34.618 -2.724 1.00 61.23 N ATOM 942 CE2 TRP A 63 -0.054 -35.905 -2.469 1.00 5.13 C ATOM 943 CE3 TRP A 63 0.826 -38.138 -2.726 1.00 13.11 C ATOM 944 CZ2 TRP A 63 -1.237 -36.386 -1.910 1.00 75.22 C ATOM 945 CZ3 TRP A 63 -0.348 -38.614 -2.173 1.00 11.13 C ATOM 946 CH2 TRP A 63 -1.366 -37.740 -1.774 1.00 44.21 C ATOM 0 H TRP A 63 5.667 -37.113 -4.512 1.00 60.44 H new ATOM 0 HA TRP A 63 4.602 -34.990 -2.892 1.00 71.34 H new ATOM 0 HB2 TRP A 63 3.501 -35.922 -4.938 1.00 63.22 H new ATOM 0 HB3 TRP A 63 3.313 -37.465 -4.129 1.00 63.22 H new ATOM 0 HD1 TRP A 63 2.155 -33.769 -3.589 1.00 1.51 H new ATOM 0 HE1 TRP A 63 -0.205 -33.779 -2.530 1.00 61.23 H new ATOM 0 HE3 TRP A 63 1.605 -38.820 -3.033 1.00 13.11 H new ATOM 0 HZ2 TRP A 63 -2.022 -35.714 -1.596 1.00 75.22 H new ATOM 0 HZ3 TRP A 63 -0.482 -39.678 -2.047 1.00 11.13 H new ATOM 0 HH2 TRP A 63 -2.273 -38.144 -1.349 1.00 44.21 H new ATOM 957 N THR A 64 5.068 -37.903 -1.539 1.00 15.20 N ATOM 958 CA THR A 64 4.903 -38.721 -0.336 1.00 15.11 C ATOM 959 C THR A 64 5.977 -38.444 0.727 1.00 62.45 C ATOM 960 O THR A 64 6.088 -39.183 1.710 1.00 30.34 O ATOM 961 CB THR A 64 4.888 -40.227 -0.701 1.00 50.23 C ATOM 962 OG1 THR A 64 5.915 -40.514 -1.664 1.00 30.31 O ATOM 963 CG2 THR A 64 3.534 -40.643 -1.272 1.00 51.44 C ATOM 0 H THR A 64 5.722 -38.287 -2.221 1.00 15.20 H new ATOM 0 HA THR A 64 3.944 -38.443 0.101 1.00 15.11 H new ATOM 0 HB THR A 64 5.071 -40.792 0.213 1.00 50.23 H new ATOM 0 HG1 THR A 64 5.898 -41.468 -1.886 1.00 30.31 H new ATOM 0 HG21 THR A 64 3.554 -41.705 -1.519 1.00 51.44 H new ATOM 0 HG22 THR A 64 2.755 -40.457 -0.533 1.00 51.44 H new ATOM 0 HG23 THR A 64 3.326 -40.065 -2.172 1.00 51.44 H new ATOM 971 N ASP A 65 6.750 -37.375 0.544 1.00 40.42 N ATOM 972 CA ASP A 65 7.763 -36.978 1.530 1.00 24.01 C ATOM 973 C ASP A 65 7.142 -36.023 2.548 1.00 55.12 C ATOM 974 O ASP A 65 6.601 -34.982 2.176 1.00 53.31 O ATOM 975 CB ASP A 65 8.968 -36.320 0.839 1.00 53.54 C ATOM 976 CG ASP A 65 9.722 -37.287 -0.061 1.00 25.00 C ATOM 977 OD1 ASP A 65 10.636 -37.984 0.430 1.00 73.45 O ATOM 978 OD2 ASP A 65 9.397 -37.367 -1.265 1.00 23.21 O ATOM 0 H ASP A 65 6.697 -36.768 -0.274 1.00 40.42 H new ATOM 0 HA ASP A 65 8.119 -37.869 2.048 1.00 24.01 H new ATOM 0 HB2 ASP A 65 8.625 -35.471 0.248 1.00 53.54 H new ATOM 0 HB3 ASP A 65 9.647 -35.928 1.596 1.00 53.54 H new ATOM 983 N ILE A 66 7.213 -36.382 3.832 1.00 10.53 N ATOM 984 CA ILE A 66 6.513 -35.636 4.882 1.00 43.50 C ATOM 985 C ILE A 66 7.422 -35.357 6.087 1.00 44.02 C ATOM 986 O ILE A 66 8.057 -36.270 6.623 1.00 1.50 O ATOM 987 CB ILE A 66 5.260 -36.418 5.377 1.00 55.33 C ATOM 988 CG1 ILE A 66 4.312 -36.731 4.202 1.00 3.24 C ATOM 989 CG2 ILE A 66 4.530 -35.637 6.474 1.00 4.12 C ATOM 990 CD1 ILE A 66 3.082 -37.524 4.598 1.00 50.03 C ATOM 0 H ILE A 66 7.747 -37.183 4.170 1.00 10.53 H new ATOM 0 HA ILE A 66 6.209 -34.687 4.440 1.00 43.50 H new ATOM 0 HB ILE A 66 5.596 -37.364 5.802 1.00 55.33 H new ATOM 0 HG12 ILE A 66 3.996 -35.794 3.744 1.00 3.24 H new ATOM 0 HG13 ILE A 66 4.862 -37.287 3.443 1.00 3.24 H new ATOM 0 HG21 ILE A 66 3.658 -36.202 6.804 1.00 4.12 H new ATOM 0 HG22 ILE A 66 5.202 -35.480 7.318 1.00 4.12 H new ATOM 0 HG23 ILE A 66 4.209 -34.672 6.082 1.00 4.12 H new ATOM 0 HD11 ILE A 66 2.466 -37.704 3.717 1.00 50.03 H new ATOM 0 HD12 ILE A 66 3.387 -38.478 5.028 1.00 50.03 H new ATOM 0 HD13 ILE A 66 2.508 -36.961 5.334 1.00 50.03 H new ATOM 1002 N ARG A 67 7.481 -34.089 6.500 1.00 43.45 N ATOM 1003 CA ARG A 67 8.152 -33.692 7.747 1.00 13.13 C ATOM 1004 C ARG A 67 7.158 -33.035 8.723 1.00 1.21 C ATOM 1005 O ARG A 67 6.999 -33.513 9.849 1.00 12.22 O ATOM 1006 CB ARG A 67 9.312 -32.712 7.486 1.00 43.33 C ATOM 1007 CG ARG A 67 10.349 -33.200 6.488 1.00 74.24 C ATOM 1008 CD ARG A 67 11.187 -34.360 7.011 1.00 40.03 C ATOM 1009 NE ARG A 67 12.077 -34.870 5.963 1.00 51.24 N ATOM 1010 CZ ARG A 67 13.399 -35.007 6.078 1.00 52.53 C ATOM 1011 NH1 ARG A 67 14.006 -34.772 7.234 1.00 23.02 N ATOM 1012 NH2 ARG A 67 14.108 -35.389 5.023 1.00 54.53 N ATOM 0 H ARG A 67 7.069 -33.311 5.986 1.00 43.45 H new ATOM 0 HA ARG A 67 8.553 -34.604 8.188 1.00 13.13 H new ATOM 0 HB2 ARG A 67 8.898 -31.770 7.127 1.00 43.33 H new ATOM 0 HB3 ARG A 67 9.810 -32.501 8.432 1.00 43.33 H new ATOM 0 HG2 ARG A 67 9.845 -33.508 5.572 1.00 74.24 H new ATOM 0 HG3 ARG A 67 11.009 -32.373 6.226 1.00 74.24 H new ATOM 0 HD2 ARG A 67 11.776 -34.032 7.868 1.00 40.03 H new ATOM 0 HD3 ARG A 67 10.533 -35.159 7.360 1.00 40.03 H new ATOM 0 HE ARG A 67 11.652 -35.141 5.076 1.00 51.24 H new ATOM 0 HH11 ARG A 67 13.461 -34.483 8.047 1.00 23.02 H new ATOM 0 HH12 ARG A 67 15.017 -34.880 7.310 1.00 23.02 H new ATOM 0 HH21 ARG A 67 13.642 -35.575 4.135 1.00 54.53 H new ATOM 0 HH22 ARG A 67 15.119 -35.497 5.100 1.00 54.53 H new ATOM 1026 N PRO A 68 6.466 -31.933 8.306 1.00 23.24 N ATOM 1027 CA PRO A 68 5.667 -31.099 9.224 1.00 52.12 C ATOM 1028 C PRO A 68 4.608 -31.879 10.003 1.00 32.14 C ATOM 1029 O PRO A 68 4.750 -32.092 11.211 1.00 54.14 O ATOM 1030 CB PRO A 68 5.010 -30.048 8.305 1.00 22.20 C ATOM 1031 CG PRO A 68 5.120 -30.613 6.930 1.00 33.01 C ATOM 1032 CD PRO A 68 6.389 -31.412 6.923 1.00 50.32 C ATOM 0 HA PRO A 68 6.299 -30.667 10.000 1.00 52.12 H new ATOM 0 HB2 PRO A 68 3.969 -29.879 8.580 1.00 22.20 H new ATOM 0 HB3 PRO A 68 5.519 -29.087 8.378 1.00 22.20 H new ATOM 0 HG2 PRO A 68 4.260 -31.240 6.694 1.00 33.01 H new ATOM 0 HG3 PRO A 68 5.151 -29.821 6.182 1.00 33.01 H new ATOM 0 HD2 PRO A 68 6.354 -32.218 6.190 1.00 50.32 H new ATOM 0 HD3 PRO A 68 7.253 -30.795 6.676 1.00 50.32 H new ATOM 1040 N LYS A 69 3.552 -32.306 9.320 1.00 33.43 N ATOM 1041 CA LYS A 69 2.448 -32.987 9.981 1.00 33.10 C ATOM 1042 C LYS A 69 1.877 -34.074 9.072 1.00 23.31 C ATOM 1043 O LYS A 69 2.251 -35.240 9.178 1.00 52.50 O ATOM 1044 CB LYS A 69 1.360 -31.970 10.360 1.00 52.20 C ATOM 1045 CG LYS A 69 0.309 -32.503 11.327 1.00 34.14 C ATOM 1046 CD LYS A 69 0.915 -32.824 12.689 1.00 43.14 C ATOM 1047 CE LYS A 69 -0.144 -33.250 13.695 1.00 61.40 C ATOM 1048 NZ LYS A 69 0.454 -33.580 15.014 1.00 11.42 N ATOM 0 H LYS A 69 3.438 -32.193 8.313 1.00 33.43 H new ATOM 0 HA LYS A 69 2.815 -33.461 10.891 1.00 33.10 H new ATOM 0 HB2 LYS A 69 1.836 -31.096 10.805 1.00 52.20 H new ATOM 0 HB3 LYS A 69 0.862 -31.633 9.451 1.00 52.20 H new ATOM 0 HG2 LYS A 69 -0.485 -31.766 11.445 1.00 34.14 H new ATOM 0 HG3 LYS A 69 -0.149 -33.400 10.910 1.00 34.14 H new ATOM 0 HD2 LYS A 69 1.653 -33.619 12.580 1.00 43.14 H new ATOM 0 HD3 LYS A 69 1.443 -31.949 13.067 1.00 43.14 H new ATOM 0 HE2 LYS A 69 -0.874 -32.450 13.816 1.00 61.40 H new ATOM 0 HE3 LYS A 69 -0.682 -34.117 13.312 1.00 61.40 H new ATOM 0 HZ1 LYS A 69 -0.297 -33.866 15.674 1.00 11.42 H new ATOM 0 HZ2 LYS A 69 1.132 -34.360 14.902 1.00 11.42 H new ATOM 0 HZ3 LYS A 69 0.946 -32.745 15.391 1.00 11.42 H new ATOM 1062 N SER A 70 0.989 -33.681 8.161 1.00 2.31 N ATOM 1063 CA SER A 70 0.352 -34.612 7.232 1.00 33.04 C ATOM 1064 C SER A 70 -0.123 -33.864 5.988 1.00 22.05 C ATOM 1065 O SER A 70 -0.746 -32.805 6.091 1.00 32.33 O ATOM 1066 CB SER A 70 -0.832 -35.325 7.910 1.00 21.44 C ATOM 1067 OG SER A 70 -0.399 -36.115 9.009 1.00 12.21 O ATOM 0 H SER A 70 0.692 -32.712 8.046 1.00 2.31 H new ATOM 0 HA SER A 70 1.083 -35.365 6.935 1.00 33.04 H new ATOM 0 HB2 SER A 70 -1.556 -34.586 8.254 1.00 21.44 H new ATOM 0 HB3 SER A 70 -1.343 -35.957 7.184 1.00 21.44 H new ATOM 0 HG SER A 70 -1.172 -36.554 9.421 1.00 12.21 H new ATOM 1073 N LEU A 71 0.191 -34.406 4.815 1.00 31.13 N ATOM 1074 CA LEU A 71 -0.188 -33.783 3.549 1.00 15.23 C ATOM 1075 C LEU A 71 -1.484 -34.395 3.015 1.00 23.01 C ATOM 1076 O LEU A 71 -1.509 -35.554 2.597 1.00 0.43 O ATOM 1077 CB LEU A 71 0.940 -33.928 2.509 1.00 13.44 C ATOM 1078 CG LEU A 71 2.159 -33.001 2.702 1.00 41.44 C ATOM 1079 CD1 LEU A 71 1.736 -31.534 2.664 1.00 51.23 C ATOM 1080 CD2 LEU A 71 2.896 -33.310 4.001 1.00 31.11 C ATOM 0 H LEU A 71 0.709 -35.279 4.714 1.00 31.13 H new ATOM 0 HA LEU A 71 -0.354 -32.721 3.731 1.00 15.23 H new ATOM 0 HB2 LEU A 71 1.288 -34.961 2.521 1.00 13.44 H new ATOM 0 HB3 LEU A 71 0.521 -33.744 1.520 1.00 13.44 H new ATOM 0 HG LEU A 71 2.846 -33.186 1.876 1.00 41.44 H new ATOM 0 HD11 LEU A 71 2.611 -30.899 2.802 1.00 51.23 H new ATOM 0 HD12 LEU A 71 1.276 -31.313 1.701 1.00 51.23 H new ATOM 0 HD13 LEU A 71 1.019 -31.341 3.462 1.00 51.23 H new ATOM 0 HD21 LEU A 71 3.748 -32.639 4.104 1.00 31.11 H new ATOM 0 HD22 LEU A 71 2.220 -33.171 4.845 1.00 31.11 H new ATOM 0 HD23 LEU A 71 3.247 -34.342 3.984 1.00 31.11 H new ATOM 1092 N ARG A 72 -2.558 -33.610 3.052 1.00 14.22 N ATOM 1093 CA ARG A 72 -3.855 -34.026 2.524 1.00 4.30 C ATOM 1094 C ARG A 72 -4.352 -32.975 1.536 1.00 30.11 C ATOM 1095 O ARG A 72 -4.345 -31.782 1.846 1.00 10.34 O ATOM 1096 CB ARG A 72 -4.874 -34.192 3.667 1.00 53.44 C ATOM 1097 CG ARG A 72 -6.227 -34.755 3.225 1.00 5.31 C ATOM 1098 CD ARG A 72 -6.115 -36.211 2.786 1.00 1.01 C ATOM 1099 NE ARG A 72 -5.587 -37.051 3.864 1.00 45.33 N ATOM 1100 CZ ARG A 72 -4.917 -38.188 3.679 1.00 12.43 C ATOM 1101 NH1 ARG A 72 -4.742 -38.680 2.459 1.00 54.12 N ATOM 1102 NH2 ARG A 72 -4.447 -38.853 4.724 1.00 3.22 N ATOM 0 H ARG A 72 -2.554 -32.670 3.448 1.00 14.22 H new ATOM 0 HA ARG A 72 -3.745 -34.986 2.019 1.00 4.30 H new ATOM 0 HB2 ARG A 72 -4.449 -34.851 4.425 1.00 53.44 H new ATOM 0 HB3 ARG A 72 -5.033 -33.223 4.140 1.00 53.44 H new ATOM 0 HG2 ARG A 72 -6.940 -34.676 4.046 1.00 5.31 H new ATOM 0 HG3 ARG A 72 -6.620 -34.156 2.403 1.00 5.31 H new ATOM 0 HD2 ARG A 72 -7.095 -36.578 2.482 1.00 1.01 H new ATOM 0 HD3 ARG A 72 -5.464 -36.282 1.915 1.00 1.01 H new ATOM 0 HE ARG A 72 -5.743 -36.744 4.824 1.00 45.33 H new ATOM 0 HH11 ARG A 72 -5.122 -38.187 1.651 1.00 54.12 H new ATOM 0 HH12 ARG A 72 -4.227 -39.551 2.329 1.00 54.12 H new ATOM 0 HH21 ARG A 72 -4.598 -38.494 5.667 1.00 3.22 H new ATOM 0 HH22 ARG A 72 -3.934 -39.724 4.586 1.00 3.22 H new ATOM 1116 N GLU A 73 -4.767 -33.413 0.353 1.00 64.25 N ATOM 1117 CA GLU A 73 -5.266 -32.503 -0.671 1.00 44.44 C ATOM 1118 C GLU A 73 -6.286 -33.217 -1.558 1.00 24.34 C ATOM 1119 O GLU A 73 -6.359 -34.448 -1.565 1.00 70.21 O ATOM 1120 CB GLU A 73 -4.097 -31.952 -1.511 1.00 2.40 C ATOM 1121 CG GLU A 73 -4.489 -30.821 -2.461 1.00 2.13 C ATOM 1122 CD GLU A 73 -5.210 -29.682 -1.752 1.00 51.34 C ATOM 1123 OE1 GLU A 73 -4.538 -28.856 -1.103 1.00 61.01 O ATOM 1124 OE2 GLU A 73 -6.459 -29.611 -1.839 1.00 3.40 O ATOM 0 H GLU A 73 -4.768 -34.395 0.079 1.00 64.25 H new ATOM 0 HA GLU A 73 -5.763 -31.662 -0.187 1.00 44.44 H new ATOM 0 HB2 GLU A 73 -3.318 -31.593 -0.838 1.00 2.40 H new ATOM 0 HB3 GLU A 73 -3.666 -32.767 -2.092 1.00 2.40 H new ATOM 0 HG2 GLU A 73 -3.594 -30.433 -2.946 1.00 2.13 H new ATOM 0 HG3 GLU A 73 -5.131 -31.218 -3.247 1.00 2.13 H new ATOM 1131 N LYS A 74 -7.068 -32.435 -2.291 1.00 70.24 N ATOM 1132 CA LYS A 74 -8.138 -32.954 -3.136 1.00 22.11 C ATOM 1133 C LYS A 74 -7.631 -33.189 -4.558 1.00 62.44 C ATOM 1134 O LYS A 74 -6.761 -32.465 -5.044 1.00 64.25 O ATOM 1135 CB LYS A 74 -9.295 -31.949 -3.147 1.00 3.23 C ATOM 1136 CG LYS A 74 -10.555 -32.432 -3.854 1.00 3.54 C ATOM 1137 CD LYS A 74 -11.656 -31.367 -3.852 1.00 75.42 C ATOM 1138 CE LYS A 74 -12.216 -31.082 -2.452 1.00 24.23 C ATOM 1139 NZ LYS A 74 -11.240 -30.403 -1.552 1.00 24.03 N ATOM 0 H LYS A 74 -6.978 -31.419 -2.317 1.00 70.24 H new ATOM 0 HA LYS A 74 -8.483 -33.908 -2.737 1.00 22.11 H new ATOM 0 HB2 LYS A 74 -9.548 -31.696 -2.117 1.00 3.23 H new ATOM 0 HB3 LYS A 74 -8.956 -31.031 -3.627 1.00 3.23 H new ATOM 0 HG2 LYS A 74 -10.313 -32.702 -4.882 1.00 3.54 H new ATOM 0 HG3 LYS A 74 -10.922 -33.334 -3.365 1.00 3.54 H new ATOM 0 HD2 LYS A 74 -11.260 -30.443 -4.273 1.00 75.42 H new ATOM 0 HD3 LYS A 74 -12.468 -31.692 -4.502 1.00 75.42 H new ATOM 0 HE2 LYS A 74 -13.107 -30.461 -2.544 1.00 24.23 H new ATOM 0 HE3 LYS A 74 -12.528 -32.021 -1.995 1.00 24.23 H new ATOM 0 HZ1 LYS A 74 -11.732 -29.680 -0.989 1.00 24.03 H new ATOM 0 HZ2 LYS A 74 -10.810 -31.104 -0.915 1.00 24.03 H new ATOM 0 HZ3 LYS A 74 -10.497 -29.952 -2.123 1.00 24.03 H new ATOM 1153 N LEU A 75 -8.183 -34.202 -5.216 1.00 35.34 N ATOM 1154 CA LEU A 75 -7.805 -34.536 -6.585 1.00 23.12 C ATOM 1155 C LEU A 75 -8.473 -33.580 -7.572 1.00 31.02 C ATOM 1156 O LEU A 75 -9.666 -33.287 -7.454 1.00 35.24 O ATOM 1157 CB LEU A 75 -8.189 -35.991 -6.922 1.00 12.51 C ATOM 1158 CG LEU A 75 -7.407 -37.087 -6.170 1.00 13.42 C ATOM 1159 CD1 LEU A 75 -7.729 -37.081 -4.675 1.00 51.34 C ATOM 1160 CD2 LEU A 75 -7.691 -38.462 -6.772 1.00 72.41 C ATOM 0 H LEU A 75 -8.899 -34.811 -4.820 1.00 35.34 H new ATOM 0 HA LEU A 75 -6.723 -34.434 -6.669 1.00 23.12 H new ATOM 0 HB2 LEU A 75 -9.251 -36.123 -6.715 1.00 12.51 H new ATOM 0 HB3 LEU A 75 -8.052 -36.144 -7.992 1.00 12.51 H new ATOM 0 HG LEU A 75 -6.345 -36.869 -6.283 1.00 13.42 H new ATOM 0 HD11 LEU A 75 -7.160 -37.866 -4.177 1.00 51.34 H new ATOM 0 HD12 LEU A 75 -7.462 -36.114 -4.249 1.00 51.34 H new ATOM 0 HD13 LEU A 75 -8.795 -37.259 -4.532 1.00 51.34 H new ATOM 0 HD21 LEU A 75 -7.130 -39.221 -6.227 1.00 72.41 H new ATOM 0 HD22 LEU A 75 -8.757 -38.678 -6.700 1.00 72.41 H new ATOM 0 HD23 LEU A 75 -7.389 -38.470 -7.819 1.00 72.41 H new ATOM 1172 N ALA A 76 -7.700 -33.093 -8.535 1.00 23.23 N ATOM 1173 CA ALA A 76 -8.214 -32.187 -9.557 1.00 45.32 C ATOM 1174 C ALA A 76 -8.773 -32.985 -10.733 1.00 65.42 C ATOM 1175 O ALA A 76 -8.045 -33.741 -11.379 1.00 13.14 O ATOM 1176 CB ALA A 76 -7.116 -31.237 -10.020 1.00 72.54 C ATOM 0 H ALA A 76 -6.708 -33.312 -8.630 1.00 23.23 H new ATOM 0 HA ALA A 76 -9.022 -31.593 -9.130 1.00 45.32 H new ATOM 0 HB1 ALA A 76 -7.513 -30.567 -10.782 1.00 72.54 H new ATOM 0 HB2 ALA A 76 -6.760 -30.652 -9.172 1.00 72.54 H new ATOM 0 HB3 ALA A 76 -6.289 -31.812 -10.437 1.00 72.54 H new ATOM 1182 N SER A 77 -10.064 -32.828 -10.994 1.00 75.32 N ATOM 1183 CA SER A 77 -10.724 -33.538 -12.083 1.00 12.25 C ATOM 1184 C SER A 77 -10.402 -32.884 -13.431 1.00 32.34 C ATOM 1185 O SER A 77 -10.998 -31.869 -13.801 1.00 31.55 O ATOM 1186 CB SER A 77 -12.236 -33.572 -11.833 1.00 55.35 C ATOM 1187 OG SER A 77 -12.715 -32.295 -11.435 1.00 45.41 O ATOM 0 H SER A 77 -10.679 -32.211 -10.463 1.00 75.32 H new ATOM 0 HA SER A 77 -10.352 -34.562 -12.118 1.00 12.25 H new ATOM 0 HB2 SER A 77 -12.751 -33.891 -12.739 1.00 55.35 H new ATOM 0 HB3 SER A 77 -12.464 -34.307 -11.061 1.00 55.35 H new ATOM 0 HG SER A 77 -12.383 -31.613 -12.056 1.00 45.41 H new ATOM 1193 N GLY A 78 -9.429 -33.457 -14.136 1.00 44.34 N ATOM 1194 CA GLY A 78 -9.037 -32.950 -15.438 1.00 72.14 C ATOM 1195 C GLY A 78 -8.014 -31.837 -15.336 1.00 74.32 C ATOM 1196 O GLY A 78 -7.699 -31.370 -14.237 1.00 34.32 O ATOM 0 H GLY A 78 -8.901 -34.272 -13.823 1.00 44.34 H new ATOM 0 HA2 GLY A 78 -8.626 -33.765 -16.034 1.00 72.14 H new ATOM 0 HA3 GLY A 78 -9.919 -32.583 -15.963 1.00 72.14 H new ATOM 1200 N GLN A 79 -7.486 -31.420 -16.482 1.00 65.34 N ATOM 1201 CA GLN A 79 -6.516 -30.326 -16.541 1.00 64.55 C ATOM 1202 C GLN A 79 -7.165 -29.077 -17.137 1.00 10.44 C ATOM 1203 O GLN A 79 -6.551 -28.010 -17.207 1.00 4.52 O ATOM 1204 CB GLN A 79 -5.266 -30.752 -17.342 1.00 32.42 C ATOM 1205 CG GLN A 79 -5.561 -31.535 -18.626 1.00 42.23 C ATOM 1206 CD GLN A 79 -6.137 -30.687 -19.749 1.00 52.43 C ATOM 1207 OE1 GLN A 79 -5.834 -29.502 -19.872 1.00 31.31 O ATOM 1208 NE2 GLN A 79 -6.973 -31.294 -20.574 1.00 13.30 N ATOM 0 H GLN A 79 -7.714 -31.825 -17.390 1.00 65.34 H new ATOM 0 HA GLN A 79 -6.192 -30.085 -15.529 1.00 64.55 H new ATOM 0 HB2 GLN A 79 -4.696 -29.860 -17.600 1.00 32.42 H new ATOM 0 HB3 GLN A 79 -4.630 -31.361 -16.700 1.00 32.42 H new ATOM 0 HG2 GLN A 79 -4.640 -32.003 -18.974 1.00 42.23 H new ATOM 0 HG3 GLN A 79 -6.260 -32.339 -18.396 1.00 42.23 H new ATOM 0 HE21 GLN A 79 -7.199 -32.279 -20.438 1.00 13.30 H new ATOM 0 HE22 GLN A 79 -7.392 -30.777 -21.347 1.00 13.30 H new ATOM 1217 N GLY A 80 -8.415 -29.228 -17.556 1.00 4.32 N ATOM 1218 CA GLY A 80 -9.171 -28.122 -18.104 1.00 64.22 C ATOM 1219 C GLY A 80 -10.472 -28.600 -18.715 1.00 51.02 C ATOM 1220 O GLY A 80 -11.462 -28.750 -17.971 1.00 40.05 O ATOM 1221 OXT GLY A 80 -10.506 -28.847 -19.938 1.00 0.00 O ATOM 0 H GLY A 80 -8.924 -30.112 -17.524 1.00 4.32 H new ATOM 0 HA2 GLY A 80 -9.380 -27.396 -17.319 1.00 64.22 H new ATOM 0 HA3 GLY A 80 -8.576 -27.611 -18.861 1.00 64.22 H new TER 1225 GLY A 80