USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 44 GLN : amide:sc= 0.0736 X(o=-6.8,f=-7.1) USER MOD Set 1.2: A 46 HIS :FLIP no HD1:sc= -6.83! C(o=-7.3!,f=-6.8!) USER MOD Set 2.1: A 11 SER OG : rot -100:sc= 0.337 USER MOD Set 2.2: A 75 SER OG : rot 137:sc= 0.417 USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0317 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 6:sc= 0.385 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 7:sc= 0.362 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 12 SER OG : rot -2:sc= 1.14 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 17 THR OG1 : rot 60:sc= 0.9 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 28 GLN : amide:sc= -5.71! C(o=-5.7!,f=-8.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -130:sc= -0.162 (180deg=-1.43) USER MOD Single : A 32 MET CE :methyl -138:sc= -3.6! (180deg=-4.86!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00502 X(o=-0.005,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -170:sc= 1.26 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 143:sc= -1.91 (180deg=-5.54!) USER MOD Single : A 70 HIS : no HD1:sc= -0.03 K(o=-0.03,f=-0.61) USER MOD Single : A 71 ASN : amide:sc= -0.0689 X(o=-0.069,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.371! K(o=-0.37!,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.4) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.661 30.047 -9.512 1.00 0.00 N ATOM 2 CA GLY A 1 -7.640 29.595 -8.131 1.00 0.00 C ATOM 3 C GLY A 1 -8.674 28.492 -7.899 1.00 0.00 C ATOM 4 O GLY A 1 -9.752 28.512 -8.491 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.498 31.074 -9.544 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.914 29.561 -10.048 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.586 29.830 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.646 29.225 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.844 30.435 -7.467 1.00 0.00 H new ATOM 8 N SER A 2 -8.310 27.556 -7.035 1.00 0.00 N ATOM 9 CA SER A 2 -9.192 26.446 -6.718 1.00 0.00 C ATOM 10 C SER A 2 -8.682 25.709 -5.478 1.00 0.00 C ATOM 11 O SER A 2 -7.495 25.399 -5.381 1.00 0.00 O ATOM 12 CB SER A 2 -9.310 25.480 -7.898 1.00 0.00 C ATOM 13 OG SER A 2 -8.088 24.791 -8.148 1.00 0.00 O ATOM 0 H SER A 2 -7.416 27.544 -6.544 1.00 0.00 H new ATOM 0 HA SER A 2 -10.184 26.847 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.100 24.756 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.604 26.032 -8.791 1.00 0.00 H new ATOM 0 HG SER A 2 -8.205 24.183 -8.907 1.00 0.00 H new ATOM 19 N SER A 3 -9.603 25.450 -4.561 1.00 0.00 N ATOM 20 CA SER A 3 -9.260 24.756 -3.332 1.00 0.00 C ATOM 21 C SER A 3 -10.480 24.002 -2.799 1.00 0.00 C ATOM 22 O SER A 3 -11.602 24.234 -3.247 1.00 0.00 O ATOM 23 CB SER A 3 -8.737 25.732 -2.275 1.00 0.00 C ATOM 24 OG SER A 3 -7.462 26.264 -2.625 1.00 0.00 O ATOM 0 H SER A 3 -10.586 25.708 -4.645 1.00 0.00 H new ATOM 0 HA SER A 3 -8.467 24.042 -3.553 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.449 26.548 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.666 25.222 -1.314 1.00 0.00 H new ATOM 0 HG SER A 3 -7.216 25.960 -3.523 1.00 0.00 H new ATOM 30 N GLY A 4 -10.220 23.114 -1.851 1.00 0.00 N ATOM 31 CA GLY A 4 -11.283 22.324 -1.253 1.00 0.00 C ATOM 32 C GLY A 4 -10.917 20.838 -1.234 1.00 0.00 C ATOM 33 O GLY A 4 -10.318 20.330 -2.180 1.00 0.00 O ATOM 0 H GLY A 4 -9.288 22.924 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.470 22.669 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.207 22.468 -1.813 1.00 0.00 H new ATOM 37 N SER A 5 -11.294 20.184 -0.145 1.00 0.00 N ATOM 38 CA SER A 5 -11.013 18.766 0.011 1.00 0.00 C ATOM 39 C SER A 5 -12.151 17.939 -0.591 1.00 0.00 C ATOM 40 O SER A 5 -13.213 18.473 -0.906 1.00 0.00 O ATOM 41 CB SER A 5 -10.813 18.403 1.483 1.00 0.00 C ATOM 42 OG SER A 5 -9.488 17.952 1.746 1.00 0.00 O ATOM 0 H SER A 5 -11.791 20.609 0.638 1.00 0.00 H new ATOM 0 HA SER A 5 -10.088 18.539 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.030 19.273 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.523 17.625 1.764 1.00 0.00 H new ATOM 0 HG SER A 5 -9.400 17.732 2.697 1.00 0.00 H new ATOM 48 N SER A 6 -11.890 16.647 -0.732 1.00 0.00 N ATOM 49 CA SER A 6 -12.879 15.740 -1.289 1.00 0.00 C ATOM 50 C SER A 6 -12.660 14.328 -0.744 1.00 0.00 C ATOM 51 O SER A 6 -11.523 13.878 -0.616 1.00 0.00 O ATOM 52 CB SER A 6 -12.820 15.734 -2.818 1.00 0.00 C ATOM 53 OG SER A 6 -13.321 16.946 -3.377 1.00 0.00 O ATOM 0 H SER A 6 -11.008 16.207 -0.470 1.00 0.00 H new ATOM 0 HA SER A 6 -13.868 16.088 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.789 15.585 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.398 14.893 -3.200 1.00 0.00 H new ATOM 0 HG SER A 6 -13.506 17.586 -2.658 1.00 0.00 H new ATOM 59 N GLY A 7 -13.767 13.668 -0.438 1.00 0.00 N ATOM 60 CA GLY A 7 -13.711 12.316 0.090 1.00 0.00 C ATOM 61 C GLY A 7 -13.864 11.283 -1.028 1.00 0.00 C ATOM 62 O GLY A 7 -14.900 11.228 -1.689 1.00 0.00 O ATOM 0 H GLY A 7 -14.709 14.045 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.763 12.162 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.501 12.177 0.828 1.00 0.00 H new ATOM 66 N SER A 8 -12.818 10.490 -1.206 1.00 0.00 N ATOM 67 CA SER A 8 -12.823 9.462 -2.233 1.00 0.00 C ATOM 68 C SER A 8 -13.084 10.092 -3.602 1.00 0.00 C ATOM 69 O SER A 8 -14.206 10.502 -3.897 1.00 0.00 O ATOM 70 CB SER A 8 -13.873 8.390 -1.933 1.00 0.00 C ATOM 71 OG SER A 8 -13.493 7.562 -0.837 1.00 0.00 O ATOM 0 H SER A 8 -11.960 10.539 -0.656 1.00 0.00 H new ATOM 0 HA SER A 8 -11.845 8.982 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.827 8.869 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.024 7.773 -2.818 1.00 0.00 H new ATOM 0 HG SER A 8 -14.190 6.892 -0.676 1.00 0.00 H new ATOM 77 N ASN A 9 -12.030 10.150 -4.402 1.00 0.00 N ATOM 78 CA ASN A 9 -12.131 10.723 -5.734 1.00 0.00 C ATOM 79 C ASN A 9 -11.883 9.630 -6.775 1.00 0.00 C ATOM 80 O ASN A 9 -10.736 9.311 -7.084 1.00 0.00 O ATOM 81 CB ASN A 9 -11.085 11.820 -5.942 1.00 0.00 C ATOM 82 CG ASN A 9 -11.128 12.353 -7.375 1.00 0.00 C ATOM 83 OD1 ASN A 9 -10.345 11.973 -8.230 1.00 0.00 O ATOM 84 ND2 ASN A 9 -12.083 13.254 -7.589 1.00 0.00 N ATOM 0 H ASN A 9 -11.101 9.810 -4.154 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.128 11.150 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.264 12.636 -5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.092 11.426 -5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.193 13.671 -8.513 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.705 13.528 -6.829 1.00 0.00 H new ATOM 91 N PRO A 10 -13.006 9.072 -7.301 1.00 0.00 N ATOM 92 CA PRO A 10 -12.922 8.021 -8.301 1.00 0.00 C ATOM 93 C PRO A 10 -12.526 8.592 -9.664 1.00 0.00 C ATOM 94 O PRO A 10 -13.274 9.368 -10.257 1.00 0.00 O ATOM 95 CB PRO A 10 -14.296 7.371 -8.306 1.00 0.00 C ATOM 96 CG PRO A 10 -15.233 8.373 -7.650 1.00 0.00 C ATOM 97 CD PRO A 10 -14.381 9.424 -6.958 1.00 0.00 C ATOM 0 HA PRO A 10 -12.150 7.286 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.617 7.144 -9.323 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.285 6.429 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.879 8.836 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.883 7.874 -6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.631 10.427 -7.304 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.536 9.411 -5.879 1.00 0.00 H new ATOM 105 N SER A 11 -11.351 8.186 -10.121 1.00 0.00 N ATOM 106 CA SER A 11 -10.846 8.648 -11.403 1.00 0.00 C ATOM 107 C SER A 11 -11.891 8.406 -12.494 1.00 0.00 C ATOM 108 O SER A 11 -12.729 7.514 -12.370 1.00 0.00 O ATOM 109 CB SER A 11 -9.533 7.950 -11.762 1.00 0.00 C ATOM 110 OG SER A 11 -8.405 8.612 -11.197 1.00 0.00 O ATOM 0 H SER A 11 -10.734 7.542 -9.627 1.00 0.00 H new ATOM 0 HA SER A 11 -10.649 9.717 -11.328 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.562 6.919 -11.410 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.426 7.913 -12.846 1.00 0.00 H new ATOM 0 HG SER A 11 -7.977 9.170 -11.880 1.00 0.00 H new ATOM 116 N SER A 12 -11.808 9.216 -13.539 1.00 0.00 N ATOM 117 CA SER A 12 -12.736 9.102 -14.651 1.00 0.00 C ATOM 118 C SER A 12 -12.199 9.868 -15.862 1.00 0.00 C ATOM 119 O SER A 12 -12.396 11.077 -15.974 1.00 0.00 O ATOM 120 CB SER A 12 -14.122 9.621 -14.267 1.00 0.00 C ATOM 121 OG SER A 12 -14.780 8.756 -13.346 1.00 0.00 O ATOM 0 H SER A 12 -11.112 9.955 -13.639 1.00 0.00 H new ATOM 0 HA SER A 12 -12.832 8.047 -14.910 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.028 10.614 -13.828 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.731 9.726 -15.165 1.00 0.00 H new ATOM 0 HG SER A 12 -14.218 7.972 -13.174 1.00 0.00 H new ATOM 127 N SER A 13 -11.530 9.132 -16.739 1.00 0.00 N ATOM 128 CA SER A 13 -10.963 9.727 -17.937 1.00 0.00 C ATOM 129 C SER A 13 -11.487 9.003 -19.179 1.00 0.00 C ATOM 130 O SER A 13 -12.108 9.617 -20.044 1.00 0.00 O ATOM 131 CB SER A 13 -9.434 9.684 -17.903 1.00 0.00 C ATOM 132 OG SER A 13 -8.865 9.905 -19.190 1.00 0.00 O ATOM 0 H SER A 13 -11.368 8.129 -16.643 1.00 0.00 H new ATOM 0 HA SER A 13 -11.269 10.772 -17.977 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.065 10.440 -17.209 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.107 8.716 -17.523 1.00 0.00 H new ATOM 0 HG SER A 13 -7.888 9.871 -19.126 1.00 0.00 H new ATOM 138 N GLY A 14 -11.216 7.707 -19.227 1.00 0.00 N ATOM 139 CA GLY A 14 -11.652 6.892 -20.348 1.00 0.00 C ATOM 140 C GLY A 14 -10.510 6.673 -21.343 1.00 0.00 C ATOM 141 O GLY A 14 -10.017 7.625 -21.946 1.00 0.00 O ATOM 0 H GLY A 14 -10.700 7.201 -18.507 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.012 5.930 -19.984 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.489 7.376 -20.851 1.00 0.00 H new ATOM 145 N GLY A 15 -10.124 5.414 -21.485 1.00 0.00 N ATOM 146 CA GLY A 15 -9.050 5.058 -22.397 1.00 0.00 C ATOM 147 C GLY A 15 -8.178 3.946 -21.810 1.00 0.00 C ATOM 148 O GLY A 15 -7.729 4.042 -20.669 1.00 0.00 O ATOM 0 H GLY A 15 -10.536 4.627 -20.984 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.469 4.732 -23.349 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.437 5.935 -22.603 1.00 0.00 H new ATOM 152 N THR A 16 -7.965 2.917 -22.616 1.00 0.00 N ATOM 153 CA THR A 16 -7.155 1.788 -22.191 1.00 0.00 C ATOM 154 C THR A 16 -5.888 1.690 -23.044 1.00 0.00 C ATOM 155 O THR A 16 -5.812 2.282 -24.119 1.00 0.00 O ATOM 156 CB THR A 16 -8.026 0.532 -22.251 1.00 0.00 C ATOM 157 OG1 THR A 16 -7.169 -0.507 -21.788 1.00 0.00 O ATOM 158 CG2 THR A 16 -8.367 0.123 -23.685 1.00 0.00 C ATOM 0 H THR A 16 -8.339 2.841 -23.562 1.00 0.00 H new ATOM 0 HA THR A 16 -6.810 1.913 -21.165 1.00 0.00 H new ATOM 0 HB THR A 16 -8.947 0.703 -21.694 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.655 -1.358 -21.793 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.986 -0.774 -23.670 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.910 0.931 -24.174 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.447 -0.080 -24.234 1.00 0.00 H new ATOM 166 N THR A 17 -4.925 0.938 -22.531 1.00 0.00 N ATOM 167 CA THR A 17 -3.666 0.755 -23.231 1.00 0.00 C ATOM 168 C THR A 17 -2.797 -0.274 -22.506 1.00 0.00 C ATOM 169 O THR A 17 -2.860 -0.394 -21.283 1.00 0.00 O ATOM 170 CB THR A 17 -2.998 2.125 -23.370 1.00 0.00 C ATOM 171 OG1 THR A 17 -3.183 2.465 -24.741 1.00 0.00 O ATOM 172 CG2 THR A 17 -1.478 2.055 -23.206 1.00 0.00 C ATOM 0 H THR A 17 -4.992 0.449 -21.639 1.00 0.00 H new ATOM 0 HA THR A 17 -3.825 0.352 -24.231 1.00 0.00 H new ATOM 0 HB THR A 17 -3.413 2.807 -22.628 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.141 2.503 -24.942 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.054 3.053 -23.314 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.236 1.663 -22.218 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.060 1.399 -23.969 1.00 0.00 H new ATOM 180 N LYS A 18 -2.005 -0.991 -23.290 1.00 0.00 N ATOM 181 CA LYS A 18 -1.124 -2.006 -22.737 1.00 0.00 C ATOM 182 C LYS A 18 -0.324 -1.405 -21.580 1.00 0.00 C ATOM 183 O LYS A 18 0.575 -0.594 -21.797 1.00 0.00 O ATOM 184 CB LYS A 18 -0.252 -2.615 -23.837 1.00 0.00 C ATOM 185 CG LYS A 18 0.825 -1.628 -24.292 1.00 0.00 C ATOM 186 CD LYS A 18 1.085 -1.755 -25.795 1.00 0.00 C ATOM 187 CE LYS A 18 2.549 -1.460 -26.125 1.00 0.00 C ATOM 188 NZ LYS A 18 2.736 -0.020 -26.411 1.00 0.00 N ATOM 0 H LYS A 18 -1.955 -0.889 -24.304 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.704 -2.833 -22.328 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.218 -3.528 -23.470 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.875 -2.896 -24.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.513 -0.610 -24.058 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.748 -1.813 -23.743 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.829 -2.761 -26.128 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.440 -1.065 -26.339 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.183 -1.756 -25.289 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.860 -2.051 -26.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.735 0.163 -26.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.146 0.252 -27.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.459 0.538 -25.578 1.00 0.00 H new ATOM 202 N ARG A 19 -0.680 -1.827 -20.375 1.00 0.00 N ATOM 203 CA ARG A 19 -0.006 -1.341 -19.183 1.00 0.00 C ATOM 204 C ARG A 19 0.162 -2.474 -18.169 1.00 0.00 C ATOM 205 O ARG A 19 -0.766 -3.247 -17.937 1.00 0.00 O ATOM 206 CB ARG A 19 -0.789 -0.198 -18.535 1.00 0.00 C ATOM 207 CG ARG A 19 -0.245 1.161 -18.980 1.00 0.00 C ATOM 208 CD ARG A 19 -1.363 2.204 -19.049 1.00 0.00 C ATOM 209 NE ARG A 19 -0.903 3.479 -18.456 1.00 0.00 N ATOM 210 CZ ARG A 19 -0.639 3.650 -17.153 1.00 0.00 C ATOM 211 NH1 ARG A 19 -0.787 2.627 -16.300 1.00 0.00 N ATOM 212 NH2 ARG A 19 -0.226 4.843 -16.704 1.00 0.00 N ATOM 0 H ARG A 19 -1.426 -2.500 -20.199 1.00 0.00 H new ATOM 0 HA ARG A 19 0.974 -0.970 -19.484 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.843 -0.277 -18.802 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.728 -0.280 -17.450 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.525 1.494 -18.284 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.228 1.065 -19.957 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.661 2.362 -20.086 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.243 1.842 -18.516 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.779 4.278 -19.078 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.100 1.719 -16.642 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.586 2.757 -15.308 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.113 5.621 -17.354 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.025 4.973 -15.712 1.00 0.00 H new ATOM 226 N PHE A 20 1.353 -2.537 -17.592 1.00 0.00 N ATOM 227 CA PHE A 20 1.654 -3.563 -16.608 1.00 0.00 C ATOM 228 C PHE A 20 1.118 -3.174 -15.229 1.00 0.00 C ATOM 229 O PHE A 20 1.070 -1.993 -14.887 1.00 0.00 O ATOM 230 CB PHE A 20 3.178 -3.679 -16.535 1.00 0.00 C ATOM 231 CG PHE A 20 3.813 -4.322 -17.770 1.00 0.00 C ATOM 232 CD1 PHE A 20 3.548 -5.621 -18.072 1.00 0.00 C ATOM 233 CD2 PHE A 20 4.642 -3.595 -18.565 1.00 0.00 C ATOM 234 CE1 PHE A 20 4.136 -6.218 -19.218 1.00 0.00 C ATOM 235 CE2 PHE A 20 5.231 -4.192 -19.711 1.00 0.00 C ATOM 236 CZ PHE A 20 4.966 -5.491 -20.013 1.00 0.00 C ATOM 0 H PHE A 20 2.121 -1.894 -17.787 1.00 0.00 H new ATOM 0 HA PHE A 20 1.187 -4.505 -16.897 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.602 -2.684 -16.398 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.446 -4.264 -15.655 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.890 -6.199 -17.440 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.853 -2.563 -18.325 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.924 -7.249 -19.458 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.889 -3.614 -20.343 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.415 -5.945 -20.884 1.00 0.00 H new ATOM 246 N ARG A 21 0.728 -4.190 -14.473 1.00 0.00 N ATOM 247 CA ARG A 21 0.197 -3.969 -13.138 1.00 0.00 C ATOM 248 C ARG A 21 1.248 -4.324 -12.084 1.00 0.00 C ATOM 249 O ARG A 21 1.795 -5.425 -12.094 1.00 0.00 O ATOM 250 CB ARG A 21 -1.059 -4.810 -12.899 1.00 0.00 C ATOM 251 CG ARG A 21 -2.167 -3.969 -12.262 1.00 0.00 C ATOM 252 CD ARG A 21 -3.175 -3.501 -13.314 1.00 0.00 C ATOM 253 NE ARG A 21 -2.664 -2.295 -14.002 1.00 0.00 N ATOM 254 CZ ARG A 21 -3.368 -1.582 -14.892 1.00 0.00 C ATOM 255 NH1 ARG A 21 -4.618 -1.951 -15.206 1.00 0.00 N ATOM 256 NH2 ARG A 21 -2.824 -0.502 -15.467 1.00 0.00 N ATOM 0 H ARG A 21 0.769 -5.168 -14.759 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.064 -2.914 -13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.409 -5.224 -13.844 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.819 -5.653 -12.251 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.679 -4.554 -11.498 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.730 -3.105 -11.762 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.352 -4.296 -14.039 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.132 -3.282 -12.841 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.716 -1.987 -13.785 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.032 -2.774 -14.768 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.155 -1.409 -15.883 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.873 -0.221 -15.228 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.361 0.040 -16.144 1.00 0.00 H new ATOM 270 N THR A 22 1.497 -3.370 -11.199 1.00 0.00 N ATOM 271 CA THR A 22 2.472 -3.568 -10.140 1.00 0.00 C ATOM 272 C THR A 22 1.853 -4.359 -8.986 1.00 0.00 C ATOM 273 O THR A 22 0.656 -4.247 -8.722 1.00 0.00 O ATOM 274 CB THR A 22 2.999 -2.194 -9.720 1.00 0.00 C ATOM 275 OG1 THR A 22 1.828 -1.388 -9.621 1.00 0.00 O ATOM 276 CG2 THR A 22 3.823 -1.522 -10.820 1.00 0.00 C ATOM 0 H THR A 22 1.041 -2.458 -11.194 1.00 0.00 H new ATOM 0 HA THR A 22 3.316 -4.165 -10.486 1.00 0.00 H new ATOM 0 HB THR A 22 3.609 -2.298 -8.822 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.078 -0.480 -9.351 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.173 -0.551 -10.471 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.680 -2.149 -11.067 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.204 -1.387 -11.707 1.00 0.00 H new ATOM 284 N LYS A 23 2.695 -5.143 -8.329 1.00 0.00 N ATOM 285 CA LYS A 23 2.246 -5.953 -7.210 1.00 0.00 C ATOM 286 C LYS A 23 3.109 -5.646 -5.984 1.00 0.00 C ATOM 287 O LYS A 23 4.329 -5.797 -6.027 1.00 0.00 O ATOM 288 CB LYS A 23 2.227 -7.434 -7.594 1.00 0.00 C ATOM 289 CG LYS A 23 1.819 -8.304 -6.403 1.00 0.00 C ATOM 290 CD LYS A 23 0.307 -8.250 -6.177 1.00 0.00 C ATOM 291 CE LYS A 23 -0.306 -9.651 -6.232 1.00 0.00 C ATOM 292 NZ LYS A 23 -0.431 -10.215 -4.869 1.00 0.00 N ATOM 0 H LYS A 23 3.686 -5.234 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 23 1.218 -5.703 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.532 -7.591 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.213 -7.734 -7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.127 -9.335 -6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.337 -7.965 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.096 -7.795 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.155 -7.617 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.287 -9.607 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.315 -10.303 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.849 -11.166 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.510 -10.275 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.042 -9.601 -4.294 1.00 0.00 H new ATOM 306 N PHE A 24 2.442 -5.221 -4.922 1.00 0.00 N ATOM 307 CA PHE A 24 3.133 -4.891 -3.687 1.00 0.00 C ATOM 308 C PHE A 24 2.440 -5.533 -2.483 1.00 0.00 C ATOM 309 O PHE A 24 1.269 -5.900 -2.559 1.00 0.00 O ATOM 310 CB PHE A 24 3.082 -3.369 -3.538 1.00 0.00 C ATOM 311 CG PHE A 24 3.690 -2.608 -4.718 1.00 0.00 C ATOM 312 CD1 PHE A 24 4.964 -2.871 -5.113 1.00 0.00 C ATOM 313 CD2 PHE A 24 2.955 -1.668 -5.372 1.00 0.00 C ATOM 314 CE1 PHE A 24 5.528 -2.165 -6.208 1.00 0.00 C ATOM 315 CE2 PHE A 24 3.520 -0.962 -6.467 1.00 0.00 C ATOM 316 CZ PHE A 24 4.794 -1.225 -6.861 1.00 0.00 C ATOM 0 H PHE A 24 1.430 -5.097 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 24 4.157 -5.262 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.044 -3.061 -3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.608 -3.086 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.547 -3.617 -4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.943 -1.459 -5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.540 -2.375 -6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.937 -0.216 -6.987 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.224 -0.687 -7.693 1.00 0.00 H new ATOM 326 N THR A 25 3.194 -5.648 -1.399 1.00 0.00 N ATOM 327 CA THR A 25 2.667 -6.239 -0.181 1.00 0.00 C ATOM 328 C THR A 25 2.044 -5.161 0.709 1.00 0.00 C ATOM 329 O THR A 25 2.441 -3.998 0.651 1.00 0.00 O ATOM 330 CB THR A 25 3.801 -7.008 0.500 1.00 0.00 C ATOM 331 OG1 THR A 25 3.183 -7.600 1.640 1.00 0.00 O ATOM 332 CG2 THR A 25 4.864 -6.081 1.092 1.00 0.00 C ATOM 0 H THR A 25 4.165 -5.342 -1.339 1.00 0.00 H new ATOM 0 HA THR A 25 1.862 -6.942 -0.398 1.00 0.00 H new ATOM 0 HB THR A 25 4.267 -7.681 -0.220 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.847 -8.120 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.645 -6.677 1.563 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.300 -5.474 0.299 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.405 -5.430 1.837 1.00 0.00 H new ATOM 340 N ALA A 26 1.078 -5.586 1.510 1.00 0.00 N ATOM 341 CA ALA A 26 0.397 -4.672 2.411 1.00 0.00 C ATOM 342 C ALA A 26 1.416 -3.704 3.016 1.00 0.00 C ATOM 343 O ALA A 26 1.286 -2.490 2.872 1.00 0.00 O ATOM 344 CB ALA A 26 -0.354 -5.471 3.478 1.00 0.00 C ATOM 0 H ALA A 26 0.751 -6.551 1.554 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.340 -4.078 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.865 -4.785 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.086 -6.120 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.353 -6.078 4.043 1.00 0.00 H new ATOM 350 N GLU A 27 2.407 -4.279 3.681 1.00 0.00 N ATOM 351 CA GLU A 27 3.448 -3.483 4.309 1.00 0.00 C ATOM 352 C GLU A 27 3.814 -2.293 3.421 1.00 0.00 C ATOM 353 O GLU A 27 3.738 -1.144 3.854 1.00 0.00 O ATOM 354 CB GLU A 27 4.680 -4.337 4.618 1.00 0.00 C ATOM 355 CG GLU A 27 5.211 -4.045 6.023 1.00 0.00 C ATOM 356 CD GLU A 27 4.642 -5.036 7.041 1.00 0.00 C ATOM 357 OE1 GLU A 27 5.006 -6.227 6.937 1.00 0.00 O ATOM 358 OE2 GLU A 27 3.857 -4.580 7.900 1.00 0.00 O ATOM 0 H GLU A 27 2.511 -5.287 3.799 1.00 0.00 H new ATOM 0 HA GLU A 27 3.065 -3.101 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.425 -5.393 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.459 -4.138 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.299 -4.102 6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.945 -3.028 6.312 1.00 0.00 H new ATOM 365 N GLN A 28 4.205 -2.608 2.195 1.00 0.00 N ATOM 366 CA GLN A 28 4.583 -1.579 1.242 1.00 0.00 C ATOM 367 C GLN A 28 3.454 -0.558 1.087 1.00 0.00 C ATOM 368 O GLN A 28 3.670 0.641 1.256 1.00 0.00 O ATOM 369 CB GLN A 28 4.957 -2.193 -0.109 1.00 0.00 C ATOM 370 CG GLN A 28 6.386 -2.737 -0.088 1.00 0.00 C ATOM 371 CD GLN A 28 7.007 -2.704 -1.486 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.335 -2.515 -2.487 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.322 -2.899 -1.499 1.00 0.00 N ATOM 0 H GLN A 28 4.268 -3.562 1.840 1.00 0.00 H new ATOM 0 HA GLN A 28 5.463 -1.062 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.262 -2.997 -0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.862 -1.441 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.994 -2.146 0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.384 -3.760 0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.824 -3.051 -0.624 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.829 -2.896 -2.384 1.00 0.00 H new ATOM 382 N LYS A 29 2.275 -1.071 0.767 1.00 0.00 N ATOM 383 CA LYS A 29 1.112 -0.219 0.587 1.00 0.00 C ATOM 384 C LYS A 29 0.913 0.635 1.841 1.00 0.00 C ATOM 385 O LYS A 29 0.854 1.861 1.758 1.00 0.00 O ATOM 386 CB LYS A 29 -0.112 -1.056 0.212 1.00 0.00 C ATOM 387 CG LYS A 29 0.061 -1.694 -1.167 1.00 0.00 C ATOM 388 CD LYS A 29 0.125 -3.219 -1.062 1.00 0.00 C ATOM 389 CE LYS A 29 -1.097 -3.866 -1.718 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.767 -4.786 -0.772 1.00 0.00 N ATOM 0 H LYS A 29 2.100 -2.066 0.628 1.00 0.00 H new ATOM 0 HA LYS A 29 1.267 0.467 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.268 -1.834 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.002 -0.427 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.769 -1.405 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.972 -1.320 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.034 -3.582 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.178 -3.513 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.796 -3.094 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.792 -4.412 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.594 -5.216 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.103 -5.533 -0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.076 -4.256 0.068 1.00 0.00 H new ATOM 404 N GLU A 30 0.814 -0.046 2.973 1.00 0.00 N ATOM 405 CA GLU A 30 0.623 0.636 4.242 1.00 0.00 C ATOM 406 C GLU A 30 1.711 1.692 4.447 1.00 0.00 C ATOM 407 O GLU A 30 1.410 2.871 4.626 1.00 0.00 O ATOM 408 CB GLU A 30 0.601 -0.362 5.402 1.00 0.00 C ATOM 409 CG GLU A 30 -0.600 -1.303 5.294 1.00 0.00 C ATOM 410 CD GLU A 30 -0.897 -1.970 6.638 1.00 0.00 C ATOM 411 OE1 GLU A 30 -1.400 -1.253 7.529 1.00 0.00 O ATOM 412 OE2 GLU A 30 -0.613 -3.183 6.744 1.00 0.00 O ATOM 0 H GLU A 30 0.862 -1.063 3.038 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.344 1.139 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.523 -0.943 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.561 0.177 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.475 -0.745 4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.402 -2.066 4.541 1.00 0.00 H new ATOM 419 N LYS A 31 2.952 1.230 4.414 1.00 0.00 N ATOM 420 CA LYS A 31 4.087 2.120 4.594 1.00 0.00 C ATOM 421 C LYS A 31 3.947 3.315 3.649 1.00 0.00 C ATOM 422 O LYS A 31 3.988 4.464 4.085 1.00 0.00 O ATOM 423 CB LYS A 31 5.401 1.354 4.427 1.00 0.00 C ATOM 424 CG LYS A 31 5.896 0.816 5.771 1.00 0.00 C ATOM 425 CD LYS A 31 5.833 -0.713 5.806 1.00 0.00 C ATOM 426 CE LYS A 31 7.091 -1.298 6.451 1.00 0.00 C ATOM 427 NZ LYS A 31 6.780 -1.847 7.789 1.00 0.00 N ATOM 0 H LYS A 31 3.197 0.251 4.265 1.00 0.00 H new ATOM 0 HA LYS A 31 4.103 2.516 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.259 0.528 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.156 2.010 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.921 1.145 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.289 1.227 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.952 -1.032 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.726 -1.100 4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.501 -2.083 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.855 -0.526 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.462 -1.478 8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.818 -1.565 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.842 -2.885 7.761 1.00 0.00 H new ATOM 441 N MET A 32 3.784 3.002 2.371 1.00 0.00 N ATOM 442 CA MET A 32 3.639 4.036 1.361 1.00 0.00 C ATOM 443 C MET A 32 2.451 4.948 1.676 1.00 0.00 C ATOM 444 O MET A 32 2.582 6.171 1.662 1.00 0.00 O ATOM 445 CB MET A 32 3.433 3.385 -0.009 1.00 0.00 C ATOM 446 CG MET A 32 4.696 2.652 -0.463 1.00 0.00 C ATOM 447 SD MET A 32 4.256 1.229 -1.447 1.00 0.00 S ATOM 448 CE MET A 32 4.107 1.997 -3.052 1.00 0.00 C ATOM 0 H MET A 32 3.749 2.048 2.013 1.00 0.00 H new ATOM 0 HA MET A 32 4.546 4.641 1.354 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.599 2.685 0.039 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.167 4.147 -0.742 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.328 3.324 -1.043 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.276 2.339 0.405 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.231 1.600 -3.565 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.000 3.075 -2.931 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.999 1.785 -3.641 1.00 0.00 H new ATOM 458 N LEU A 33 1.319 4.317 1.954 1.00 0.00 N ATOM 459 CA LEU A 33 0.110 5.057 2.273 1.00 0.00 C ATOM 460 C LEU A 33 0.447 6.178 3.257 1.00 0.00 C ATOM 461 O LEU A 33 0.000 7.312 3.089 1.00 0.00 O ATOM 462 CB LEU A 33 -0.982 4.108 2.772 1.00 0.00 C ATOM 463 CG LEU A 33 -2.036 3.697 1.742 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.109 4.777 1.594 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.385 3.347 0.402 1.00 0.00 C ATOM 0 H LEU A 33 1.214 3.302 1.965 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.294 5.530 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.505 3.206 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.490 4.580 3.613 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.534 2.797 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.846 4.459 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.601 4.935 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.646 5.708 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.156 3.058 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.845 4.214 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.690 2.519 0.540 1.00 0.00 H new ATOM 477 N ALA A 34 1.234 5.823 4.263 1.00 0.00 N ATOM 478 CA ALA A 34 1.636 6.786 5.274 1.00 0.00 C ATOM 479 C ALA A 34 2.793 7.631 4.735 1.00 0.00 C ATOM 480 O ALA A 34 2.698 8.856 4.681 1.00 0.00 O ATOM 481 CB ALA A 34 2.004 6.049 6.563 1.00 0.00 C ATOM 0 H ALA A 34 1.604 4.882 4.399 1.00 0.00 H new ATOM 0 HA ALA A 34 0.814 7.463 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.306 6.771 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.141 5.487 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.828 5.363 6.367 1.00 0.00 H new ATOM 487 N PHE A 35 3.858 6.943 4.351 1.00 0.00 N ATOM 488 CA PHE A 35 5.031 7.615 3.819 1.00 0.00 C ATOM 489 C PHE A 35 4.631 8.788 2.922 1.00 0.00 C ATOM 490 O PHE A 35 5.038 9.924 3.160 1.00 0.00 O ATOM 491 CB PHE A 35 5.795 6.587 2.984 1.00 0.00 C ATOM 492 CG PHE A 35 7.258 6.956 2.728 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.007 7.496 3.726 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.809 6.743 1.503 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.365 7.839 3.489 1.00 0.00 C ATOM 496 CE2 PHE A 35 9.167 7.085 1.267 1.00 0.00 C ATOM 497 CZ PHE A 35 9.916 7.626 2.264 1.00 0.00 C ATOM 0 H PHE A 35 3.933 5.927 4.398 1.00 0.00 H new ATOM 0 HA PHE A 35 5.637 8.007 4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.758 5.623 3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.289 6.464 2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.569 7.664 4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.214 6.314 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.960 8.269 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.605 6.915 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.948 7.887 2.083 1.00 0.00 H new ATOM 507 N ALA A 36 3.838 8.473 1.908 1.00 0.00 N ATOM 508 CA ALA A 36 3.378 9.486 0.974 1.00 0.00 C ATOM 509 C ALA A 36 2.586 10.552 1.734 1.00 0.00 C ATOM 510 O ALA A 36 2.729 11.744 1.466 1.00 0.00 O ATOM 511 CB ALA A 36 2.553 8.825 -0.132 1.00 0.00 C ATOM 0 H ALA A 36 3.502 7.530 1.713 1.00 0.00 H new ATOM 0 HA ALA A 36 4.224 9.981 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.208 9.586 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.169 8.098 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.693 8.320 0.308 1.00 0.00 H new ATOM 517 N GLU A 37 1.769 10.085 2.666 1.00 0.00 N ATOM 518 CA GLU A 37 0.954 10.983 3.466 1.00 0.00 C ATOM 519 C GLU A 37 1.842 11.980 4.215 1.00 0.00 C ATOM 520 O GLU A 37 1.414 13.093 4.516 1.00 0.00 O ATOM 521 CB GLU A 37 0.068 10.201 4.437 1.00 0.00 C ATOM 522 CG GLU A 37 -1.384 10.175 3.954 1.00 0.00 C ATOM 523 CD GLU A 37 -2.092 11.493 4.271 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.978 12.414 3.434 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.731 11.551 5.344 1.00 0.00 O ATOM 0 H GLU A 37 1.654 9.096 2.885 1.00 0.00 H new ATOM 0 HA GLU A 37 0.299 11.541 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.441 9.181 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.118 10.655 5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.410 9.994 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.914 9.350 4.430 1.00 0.00 H new ATOM 532 N ARG A 38 3.062 11.544 4.493 1.00 0.00 N ATOM 533 CA ARG A 38 4.013 12.383 5.201 1.00 0.00 C ATOM 534 C ARG A 38 4.660 13.380 4.238 1.00 0.00 C ATOM 535 O ARG A 38 4.745 14.571 4.535 1.00 0.00 O ATOM 536 CB ARG A 38 5.106 11.541 5.862 1.00 0.00 C ATOM 537 CG ARG A 38 4.555 10.188 6.318 1.00 0.00 C ATOM 538 CD ARG A 38 5.311 9.673 7.544 1.00 0.00 C ATOM 539 NE ARG A 38 6.546 8.976 7.121 1.00 0.00 N ATOM 540 CZ ARG A 38 7.565 8.687 7.942 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.502 9.034 9.235 1.00 0.00 N ATOM 542 NH2 ARG A 38 8.647 8.052 7.471 1.00 0.00 N ATOM 0 H ARG A 38 3.413 10.620 4.240 1.00 0.00 H new ATOM 0 HA ARG A 38 3.467 12.922 5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.925 11.386 5.160 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.516 12.078 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.495 10.284 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.637 9.466 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.560 10.504 8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.677 8.994 8.114 1.00 0.00 H new ATOM 0 HE ARG A 38 6.627 8.698 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.679 9.518 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.277 8.814 9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.695 7.788 6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.422 7.832 8.097 1.00 0.00 H new ATOM 556 N LEU A 39 5.100 12.857 3.103 1.00 0.00 N ATOM 557 CA LEU A 39 5.737 13.687 2.094 1.00 0.00 C ATOM 558 C LEU A 39 4.675 14.535 1.392 1.00 0.00 C ATOM 559 O LEU A 39 4.999 15.523 0.735 1.00 0.00 O ATOM 560 CB LEU A 39 6.567 12.826 1.138 1.00 0.00 C ATOM 561 CG LEU A 39 7.328 11.661 1.774 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.150 10.379 0.958 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.803 12.014 1.973 1.00 0.00 C ATOM 0 H LEU A 39 5.028 11.869 2.860 1.00 0.00 H new ATOM 0 HA LEU A 39 6.441 14.378 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.903 12.425 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.286 13.470 0.632 1.00 0.00 H new ATOM 0 HG LEU A 39 6.905 11.475 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.701 9.567 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.092 10.121 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.530 10.535 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.321 11.169 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.256 12.242 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.884 12.883 2.626 1.00 0.00 H new ATOM 575 N GLY A 40 3.428 14.119 1.556 1.00 0.00 N ATOM 576 CA GLY A 40 2.316 14.828 0.946 1.00 0.00 C ATOM 577 C GLY A 40 2.024 14.290 -0.456 1.00 0.00 C ATOM 578 O GLY A 40 1.524 15.017 -1.312 1.00 0.00 O ATOM 0 H GLY A 40 3.163 13.300 2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.429 14.726 1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.545 15.892 0.890 1.00 0.00 H new ATOM 582 N TRP A 41 2.349 13.019 -0.646 1.00 0.00 N ATOM 583 CA TRP A 41 2.128 12.375 -1.930 1.00 0.00 C ATOM 584 C TRP A 41 3.050 13.036 -2.956 1.00 0.00 C ATOM 585 O TRP A 41 2.754 13.040 -4.150 1.00 0.00 O ATOM 586 CB TRP A 41 0.651 12.435 -2.326 1.00 0.00 C ATOM 587 CG TRP A 41 -0.266 11.586 -1.444 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.924 11.960 -0.338 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.601 10.196 -1.639 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.656 10.917 0.191 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.454 9.810 -0.625 1.00 0.00 C ATOM 592 CE3 TRP A 41 -0.198 9.295 -2.640 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.975 8.516 -0.513 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.727 8.005 -2.514 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.587 7.601 -1.499 1.00 0.00 C ATOM 0 H TRP A 41 2.763 12.419 0.067 1.00 0.00 H new ATOM 0 HA TRP A 41 2.372 11.314 -1.877 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.317 13.472 -2.287 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.549 12.106 -3.360 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.886 12.953 0.086 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.239 10.952 1.028 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.467 9.576 -3.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.641 8.238 0.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.448 7.273 -3.257 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.954 6.586 -1.471 1.00 0.00 H new ATOM 606 N ARG A 42 4.149 13.579 -2.453 1.00 0.00 N ATOM 607 CA ARG A 42 5.117 14.241 -3.311 1.00 0.00 C ATOM 608 C ARG A 42 6.534 14.029 -2.775 1.00 0.00 C ATOM 609 O ARG A 42 6.715 13.659 -1.616 1.00 0.00 O ATOM 610 CB ARG A 42 4.833 15.742 -3.405 1.00 0.00 C ATOM 611 CG ARG A 42 5.090 16.433 -2.064 1.00 0.00 C ATOM 612 CD ARG A 42 4.913 17.948 -2.186 1.00 0.00 C ATOM 613 NE ARG A 42 5.620 18.445 -3.387 1.00 0.00 N ATOM 614 CZ ARG A 42 5.075 18.504 -4.609 1.00 0.00 C ATOM 615 NH1 ARG A 42 3.812 18.097 -4.800 1.00 0.00 N ATOM 616 NH2 ARG A 42 5.791 18.970 -5.641 1.00 0.00 N ATOM 0 H ARG A 42 4.391 13.574 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 42 5.033 13.804 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.463 16.188 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.798 15.902 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.404 16.042 -1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.100 16.207 -1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.853 18.195 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.302 18.441 -1.295 1.00 0.00 H new ATOM 0 HE ARG A 42 6.583 18.763 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.266 17.742 -4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.397 18.142 -5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.752 19.280 -5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.375 19.015 -6.571 1.00 0.00 H new ATOM 630 N ILE A 43 7.504 14.273 -3.645 1.00 0.00 N ATOM 631 CA ILE A 43 8.899 14.114 -3.273 1.00 0.00 C ATOM 632 C ILE A 43 9.693 15.329 -3.758 1.00 0.00 C ATOM 633 O ILE A 43 9.515 15.781 -4.887 1.00 0.00 O ATOM 634 CB ILE A 43 9.442 12.779 -3.789 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.799 11.604 -3.050 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.969 12.741 -3.709 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.790 10.347 -3.922 1.00 0.00 C ATOM 0 H ILE A 43 7.351 14.579 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 43 9.003 14.077 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 43 9.173 12.684 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.345 11.407 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.778 11.862 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.329 11.782 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.385 13.545 -4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.282 12.869 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.328 9.527 -3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.222 10.540 -4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.814 10.078 -4.183 1.00 0.00 H new ATOM 649 N GLN A 44 10.553 15.822 -2.879 1.00 0.00 N ATOM 650 CA GLN A 44 11.375 16.976 -3.202 1.00 0.00 C ATOM 651 C GLN A 44 12.859 16.617 -3.097 1.00 0.00 C ATOM 652 O GLN A 44 13.208 15.452 -2.909 1.00 0.00 O ATOM 653 CB GLN A 44 11.033 18.163 -2.300 1.00 0.00 C ATOM 654 CG GLN A 44 9.571 18.579 -2.472 1.00 0.00 C ATOM 655 CD GLN A 44 8.958 18.994 -1.133 1.00 0.00 C ATOM 656 OE1 GLN A 44 8.689 18.179 -0.265 1.00 0.00 O ATOM 657 NE2 GLN A 44 8.752 20.302 -1.014 1.00 0.00 N ATOM 0 H GLN A 44 10.698 15.443 -1.943 1.00 0.00 H new ATOM 0 HA GLN A 44 11.164 17.271 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.220 17.899 -1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.684 19.004 -2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.505 19.407 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.001 17.752 -2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.000 20.929 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.346 20.678 -0.157 1.00 0.00 H new ATOM 666 N LYS A 45 13.692 17.639 -3.223 1.00 0.00 N ATOM 667 CA LYS A 45 15.130 17.446 -3.144 1.00 0.00 C ATOM 668 C LYS A 45 15.514 17.085 -1.708 1.00 0.00 C ATOM 669 O LYS A 45 16.561 16.482 -1.474 1.00 0.00 O ATOM 670 CB LYS A 45 15.866 18.672 -3.688 1.00 0.00 C ATOM 671 CG LYS A 45 16.189 19.660 -2.565 1.00 0.00 C ATOM 672 CD LYS A 45 17.011 20.838 -3.091 1.00 0.00 C ATOM 673 CE LYS A 45 17.587 21.663 -1.939 1.00 0.00 C ATOM 674 NZ LYS A 45 18.577 22.640 -2.445 1.00 0.00 N ATOM 0 H LYS A 45 13.399 18.603 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 45 15.438 16.612 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.788 18.359 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.253 19.163 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.264 20.027 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.741 19.151 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.822 20.469 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.385 21.472 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.783 22.186 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.058 21.003 -1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.958 23.192 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.353 22.135 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.117 23.281 -3.122 1.00 0.00 H new ATOM 688 N HIS A 46 14.647 17.469 -0.783 1.00 0.00 N ATOM 689 CA HIS A 46 14.882 17.193 0.624 1.00 0.00 C ATOM 690 C HIS A 46 14.462 15.757 0.943 1.00 0.00 C ATOM 691 O HIS A 46 15.105 15.082 1.746 1.00 0.00 O ATOM 692 CB HIS A 46 14.177 18.226 1.506 1.00 0.00 C ATOM 693 CG HIS A 46 12.783 17.827 1.925 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.355 16.888 2.818 1.00 0.00 N flip ATOM 695 CD2 HIS A 46 11.645 18.419 1.406 1.00 0.00 C flip ATOM 696 CE1 HIS A 46 11.028 16.907 2.844 1.00 0.00 C flip ATOM 697 NE2 HIS A 46 10.586 17.856 1.969 1.00 0.00 N flip ATOM 0 H HIS A 46 13.780 17.969 -0.980 1.00 0.00 H new ATOM 0 HA HIS A 46 15.946 17.280 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 46 14.779 18.397 2.399 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.127 19.173 0.969 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.624 19.206 0.667 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.402 16.276 3.457 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.611 18.091 1.781 1.00 0.00 H new ATOM 705 N ASP A 47 13.386 15.332 0.297 1.00 0.00 N ATOM 706 CA ASP A 47 12.873 13.988 0.502 1.00 0.00 C ATOM 707 C ASP A 47 13.611 13.018 -0.423 1.00 0.00 C ATOM 708 O ASP A 47 12.985 12.222 -1.120 1.00 0.00 O ATOM 709 CB ASP A 47 11.381 13.912 0.173 1.00 0.00 C ATOM 710 CG ASP A 47 10.557 15.120 0.623 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.596 16.136 -0.103 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.907 15.000 1.684 1.00 0.00 O ATOM 0 H ASP A 47 12.856 15.894 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 47 13.026 13.725 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.268 13.795 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.967 13.016 0.636 1.00 0.00 H new ATOM 717 N ASP A 48 14.932 13.118 -0.399 1.00 0.00 N ATOM 718 CA ASP A 48 15.762 12.259 -1.227 1.00 0.00 C ATOM 719 C ASP A 48 16.208 11.045 -0.410 1.00 0.00 C ATOM 720 O ASP A 48 15.949 9.905 -0.793 1.00 0.00 O ATOM 721 CB ASP A 48 17.017 12.996 -1.701 1.00 0.00 C ATOM 722 CG ASP A 48 17.631 12.462 -2.996 1.00 0.00 C ATOM 723 OD1 ASP A 48 16.849 12.244 -3.947 1.00 0.00 O ATOM 724 OD2 ASP A 48 18.868 12.285 -3.007 1.00 0.00 O ATOM 0 H ASP A 48 15.448 13.780 0.180 1.00 0.00 H new ATOM 0 HA ASP A 48 15.173 11.955 -2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.771 14.049 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.768 12.946 -0.913 1.00 0.00 H new ATOM 729 N VAL A 49 16.869 11.331 0.702 1.00 0.00 N ATOM 730 CA VAL A 49 17.353 10.276 1.577 1.00 0.00 C ATOM 731 C VAL A 49 16.161 9.502 2.142 1.00 0.00 C ATOM 732 O VAL A 49 16.080 8.284 1.991 1.00 0.00 O ATOM 733 CB VAL A 49 18.250 10.870 2.665 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.897 9.766 3.504 1.00 0.00 C ATOM 735 CG2 VAL A 49 19.311 11.790 2.059 1.00 0.00 C ATOM 0 H VAL A 49 17.081 12.278 1.017 1.00 0.00 H new ATOM 0 HA VAL A 49 17.966 9.568 1.020 1.00 0.00 H new ATOM 0 HB VAL A 49 17.624 11.470 3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.529 10.215 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 49 18.120 9.168 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.503 9.128 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.935 12.199 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.932 11.222 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.823 12.605 1.525 1.00 0.00 H new ATOM 745 N ALA A 50 15.265 10.240 2.781 1.00 0.00 N ATOM 746 CA ALA A 50 14.081 9.637 3.369 1.00 0.00 C ATOM 747 C ALA A 50 13.480 8.636 2.381 1.00 0.00 C ATOM 748 O ALA A 50 13.014 7.569 2.780 1.00 0.00 O ATOM 749 CB ALA A 50 13.091 10.735 3.762 1.00 0.00 C ATOM 0 H ALA A 50 15.335 11.250 2.904 1.00 0.00 H new ATOM 0 HA ALA A 50 14.338 9.090 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.203 10.283 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.557 11.402 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.807 11.303 2.876 1.00 0.00 H new ATOM 755 N VAL A 51 13.509 9.014 1.112 1.00 0.00 N ATOM 756 CA VAL A 51 12.973 8.163 0.064 1.00 0.00 C ATOM 757 C VAL A 51 13.838 6.907 -0.060 1.00 0.00 C ATOM 758 O VAL A 51 13.317 5.799 -0.181 1.00 0.00 O ATOM 759 CB VAL A 51 12.867 8.947 -1.245 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.894 8.007 -2.452 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.612 9.823 -1.260 1.00 0.00 C ATOM 0 H VAL A 51 13.896 9.899 0.786 1.00 0.00 H new ATOM 0 HA VAL A 51 11.963 7.839 0.315 1.00 0.00 H new ATOM 0 HB VAL A 51 13.735 9.603 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.817 8.591 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.829 7.446 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.055 7.313 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.561 10.370 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.728 9.194 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.652 10.530 -0.432 1.00 0.00 H new ATOM 771 N GLU A 52 15.145 7.122 -0.024 1.00 0.00 N ATOM 772 CA GLU A 52 16.087 6.021 -0.131 1.00 0.00 C ATOM 773 C GLU A 52 15.961 5.095 1.081 1.00 0.00 C ATOM 774 O GLU A 52 16.024 3.874 0.942 1.00 0.00 O ATOM 775 CB GLU A 52 17.520 6.538 -0.278 1.00 0.00 C ATOM 776 CG GLU A 52 17.728 7.194 -1.645 1.00 0.00 C ATOM 777 CD GLU A 52 18.690 6.372 -2.506 1.00 0.00 C ATOM 778 OE1 GLU A 52 19.822 6.141 -2.030 1.00 0.00 O ATOM 779 OE2 GLU A 52 18.271 5.995 -3.622 1.00 0.00 O ATOM 0 H GLU A 52 15.574 8.042 0.078 1.00 0.00 H new ATOM 0 HA GLU A 52 15.847 5.449 -1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.733 7.259 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.222 5.714 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.770 7.291 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.123 8.201 -1.513 1.00 0.00 H new ATOM 786 N GLN A 53 15.785 5.710 2.240 1.00 0.00 N ATOM 787 CA GLN A 53 15.649 4.956 3.475 1.00 0.00 C ATOM 788 C GLN A 53 14.435 4.027 3.399 1.00 0.00 C ATOM 789 O GLN A 53 14.474 2.907 3.904 1.00 0.00 O ATOM 790 CB GLN A 53 15.547 5.892 4.681 1.00 0.00 C ATOM 791 CG GLN A 53 16.861 5.920 5.465 1.00 0.00 C ATOM 792 CD GLN A 53 16.601 5.885 6.972 1.00 0.00 C ATOM 793 OE1 GLN A 53 16.168 4.890 7.530 1.00 0.00 O ATOM 794 NE2 GLN A 53 16.888 7.023 7.598 1.00 0.00 N ATOM 0 H GLN A 53 15.733 6.723 2.351 1.00 0.00 H new ATOM 0 HA GLN A 53 16.543 4.345 3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.298 6.899 4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.737 5.564 5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.478 5.068 5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.422 6.819 5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.248 7.819 7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.749 7.100 8.605 1.00 0.00 H new ATOM 803 N PHE A 54 13.386 4.527 2.762 1.00 0.00 N ATOM 804 CA PHE A 54 12.164 3.756 2.613 1.00 0.00 C ATOM 805 C PHE A 54 12.392 2.533 1.722 1.00 0.00 C ATOM 806 O PHE A 54 12.063 1.412 2.106 1.00 0.00 O ATOM 807 CB PHE A 54 11.135 4.672 1.947 1.00 0.00 C ATOM 808 CG PHE A 54 9.700 4.146 2.010 1.00 0.00 C ATOM 809 CD1 PHE A 54 8.979 4.274 3.156 1.00 0.00 C ATOM 810 CD2 PHE A 54 9.145 3.551 0.920 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.647 3.786 3.215 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.813 3.063 0.979 1.00 0.00 C ATOM 813 CZ PHE A 54 7.092 3.190 2.125 1.00 0.00 C ATOM 0 H PHE A 54 13.358 5.457 2.343 1.00 0.00 H new ATOM 0 HA PHE A 54 11.825 3.404 3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.173 5.651 2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.413 4.815 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.420 4.747 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.717 3.450 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.074 3.888 4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.372 2.591 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.079 2.818 2.170 1.00 0.00 H new ATOM 823 N CYS A 55 12.954 2.791 0.551 1.00 0.00 N ATOM 824 CA CYS A 55 13.231 1.725 -0.397 1.00 0.00 C ATOM 825 C CYS A 55 14.096 0.674 0.300 1.00 0.00 C ATOM 826 O CYS A 55 13.788 -0.517 0.258 1.00 0.00 O ATOM 827 CB CYS A 55 13.894 2.257 -1.669 1.00 0.00 C ATOM 828 SG CYS A 55 14.498 0.863 -2.690 1.00 0.00 S ATOM 0 H CYS A 55 13.225 3.723 0.237 1.00 0.00 H new ATOM 0 HA CYS A 55 12.295 1.269 -0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.181 2.853 -2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.724 2.914 -1.409 1.00 0.00 H new ATOM 0 HG CYS A 55 15.057 1.325 -3.769 1.00 0.00 H new ATOM 834 N ALA A 56 15.162 1.151 0.926 1.00 0.00 N ATOM 835 CA ALA A 56 16.074 0.267 1.632 1.00 0.00 C ATOM 836 C ALA A 56 15.277 -0.624 2.587 1.00 0.00 C ATOM 837 O ALA A 56 15.741 -1.695 2.975 1.00 0.00 O ATOM 838 CB ALA A 56 17.132 1.100 2.358 1.00 0.00 C ATOM 0 H ALA A 56 15.415 2.139 0.959 1.00 0.00 H new ATOM 0 HA ALA A 56 16.596 -0.385 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.816 0.437 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.689 1.693 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.645 1.765 3.072 1.00 0.00 H new ATOM 844 N GLU A 57 14.091 -0.148 2.938 1.00 0.00 N ATOM 845 CA GLU A 57 13.225 -0.888 3.840 1.00 0.00 C ATOM 846 C GLU A 57 12.188 -1.685 3.046 1.00 0.00 C ATOM 847 O GLU A 57 12.266 -2.911 2.971 1.00 0.00 O ATOM 848 CB GLU A 57 12.547 0.049 4.841 1.00 0.00 C ATOM 849 CG GLU A 57 12.927 -0.314 6.278 1.00 0.00 C ATOM 850 CD GLU A 57 11.913 -1.286 6.885 1.00 0.00 C ATOM 851 OE1 GLU A 57 11.739 -2.371 6.288 1.00 0.00 O ATOM 852 OE2 GLU A 57 11.335 -0.923 7.931 1.00 0.00 O ATOM 0 H GLU A 57 13.710 0.741 2.614 1.00 0.00 H new ATOM 0 HA GLU A 57 13.838 -1.589 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.837 1.079 4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.465 -0.008 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.920 -0.763 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.977 0.590 6.884 1.00 0.00 H new ATOM 859 N THR A 58 11.241 -0.957 2.473 1.00 0.00 N ATOM 860 CA THR A 58 10.190 -1.581 1.687 1.00 0.00 C ATOM 861 C THR A 58 10.775 -2.223 0.428 1.00 0.00 C ATOM 862 O THR A 58 10.540 -3.400 0.160 1.00 0.00 O ATOM 863 CB THR A 58 9.128 -0.520 1.391 1.00 0.00 C ATOM 864 OG1 THR A 58 9.880 0.663 1.140 1.00 0.00 O ATOM 865 CG2 THR A 58 8.288 -0.173 2.622 1.00 0.00 C ATOM 0 H THR A 58 11.179 0.059 2.537 1.00 0.00 H new ATOM 0 HA THR A 58 9.714 -2.393 2.237 1.00 0.00 H new ATOM 0 HB THR A 58 8.475 -0.873 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.274 1.432 1.094 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.550 0.584 2.357 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.778 -1.068 2.978 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.937 0.212 3.408 1.00 0.00 H new ATOM 873 N GLY A 59 11.527 -1.421 -0.312 1.00 0.00 N ATOM 874 CA GLY A 59 12.148 -1.896 -1.537 1.00 0.00 C ATOM 875 C GLY A 59 11.512 -1.239 -2.764 1.00 0.00 C ATOM 876 O GLY A 59 11.870 -1.556 -3.897 1.00 0.00 O ATOM 0 H GLY A 59 11.720 -0.445 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.216 -1.678 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.045 -2.979 -1.605 1.00 0.00 H new ATOM 880 N VAL A 60 10.580 -0.336 -2.496 1.00 0.00 N ATOM 881 CA VAL A 60 9.892 0.368 -3.565 1.00 0.00 C ATOM 882 C VAL A 60 10.852 1.369 -4.211 1.00 0.00 C ATOM 883 O VAL A 60 11.569 2.086 -3.514 1.00 0.00 O ATOM 884 CB VAL A 60 8.619 1.023 -3.024 1.00 0.00 C ATOM 885 CG1 VAL A 60 7.932 1.861 -4.105 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.663 -0.025 -2.452 1.00 0.00 C ATOM 0 H VAL A 60 10.285 -0.076 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 60 9.578 -0.329 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 60 8.905 1.692 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.030 2.315 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.610 2.644 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.665 1.222 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.767 0.467 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.387 -0.731 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.153 -0.559 -1.638 1.00 0.00 H new ATOM 896 N ARG A 61 10.834 1.386 -5.536 1.00 0.00 N ATOM 897 CA ARG A 61 11.694 2.288 -6.284 1.00 0.00 C ATOM 898 C ARG A 61 11.103 3.699 -6.293 1.00 0.00 C ATOM 899 O ARG A 61 9.913 3.876 -6.545 1.00 0.00 O ATOM 900 CB ARG A 61 11.873 1.808 -7.725 1.00 0.00 C ATOM 901 CG ARG A 61 12.693 0.517 -7.776 1.00 0.00 C ATOM 902 CD ARG A 61 13.566 0.470 -9.032 1.00 0.00 C ATOM 903 NE ARG A 61 14.928 0.009 -8.685 1.00 0.00 N ATOM 904 CZ ARG A 61 15.990 0.128 -9.493 1.00 0.00 C ATOM 905 NH1 ARG A 61 15.854 0.695 -10.699 1.00 0.00 N ATOM 906 NH2 ARG A 61 17.189 -0.320 -9.094 1.00 0.00 N ATOM 0 H ARG A 61 10.238 0.790 -6.110 1.00 0.00 H new ATOM 0 HA ARG A 61 12.667 2.302 -5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.897 1.641 -8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.370 2.582 -8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.322 0.447 -6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.024 -0.344 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.123 -0.201 -9.768 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.613 1.458 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 61 15.067 -0.427 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.942 1.036 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.663 0.786 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.292 -0.751 -8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.998 -0.230 -9.709 1.00 0.00 H new ATOM 920 N ARG A 62 11.964 4.668 -6.015 1.00 0.00 N ATOM 921 CA ARG A 62 11.542 6.058 -5.988 1.00 0.00 C ATOM 922 C ARG A 62 10.568 6.340 -7.134 1.00 0.00 C ATOM 923 O ARG A 62 9.501 6.913 -6.920 1.00 0.00 O ATOM 924 CB ARG A 62 12.742 7.000 -6.104 1.00 0.00 C ATOM 925 CG ARG A 62 12.290 8.461 -6.151 1.00 0.00 C ATOM 926 CD ARG A 62 13.403 9.362 -6.688 1.00 0.00 C ATOM 927 NE ARG A 62 13.167 9.660 -8.119 1.00 0.00 N ATOM 928 CZ ARG A 62 14.054 10.273 -8.914 1.00 0.00 C ATOM 929 NH1 ARG A 62 15.240 10.658 -8.425 1.00 0.00 N ATOM 930 NH2 ARG A 62 13.754 10.502 -10.200 1.00 0.00 N ATOM 0 H ARG A 62 12.951 4.518 -5.807 1.00 0.00 H new ATOM 0 HA ARG A 62 11.046 6.235 -5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.410 6.850 -5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.310 6.762 -7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.407 8.552 -6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.002 8.789 -5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.439 10.289 -6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.369 8.873 -6.564 1.00 0.00 H new ATOM 0 HE ARG A 62 12.274 9.381 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.469 10.485 -7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.914 11.125 -9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.851 10.210 -10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.429 10.969 -10.806 1.00 0.00 H new ATOM 944 N GLN A 63 10.970 5.923 -8.325 1.00 0.00 N ATOM 945 CA GLN A 63 10.146 6.123 -9.505 1.00 0.00 C ATOM 946 C GLN A 63 8.784 5.451 -9.322 1.00 0.00 C ATOM 947 O GLN A 63 7.751 6.037 -9.642 1.00 0.00 O ATOM 948 CB GLN A 63 10.850 5.602 -10.760 1.00 0.00 C ATOM 949 CG GLN A 63 10.571 4.112 -10.966 1.00 0.00 C ATOM 950 CD GLN A 63 11.286 3.588 -12.214 1.00 0.00 C ATOM 951 OE1 GLN A 63 12.143 4.239 -12.789 1.00 0.00 O ATOM 952 NE2 GLN A 63 10.886 2.380 -12.599 1.00 0.00 N ATOM 0 H GLN A 63 11.855 5.447 -8.499 1.00 0.00 H new ATOM 0 HA GLN A 63 9.986 7.193 -9.635 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.511 6.163 -11.631 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.924 5.766 -10.673 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.901 3.552 -10.091 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.498 3.949 -11.062 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.163 1.890 -12.072 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.302 1.943 -13.422 1.00 0.00 H new ATOM 961 N VAL A 64 8.826 4.231 -8.807 1.00 0.00 N ATOM 962 CA VAL A 64 7.608 3.474 -8.577 1.00 0.00 C ATOM 963 C VAL A 64 6.791 4.152 -7.475 1.00 0.00 C ATOM 964 O VAL A 64 5.581 4.328 -7.614 1.00 0.00 O ATOM 965 CB VAL A 64 7.950 2.017 -8.256 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.681 1.192 -8.034 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.818 1.403 -9.357 1.00 0.00 C ATOM 0 H VAL A 64 9.685 3.748 -8.543 1.00 0.00 H new ATOM 0 HA VAL A 64 6.992 3.460 -9.476 1.00 0.00 H new ATOM 0 HB VAL A 64 8.524 2.003 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.952 0.161 -7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.116 1.610 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.069 1.217 -8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.047 0.368 -9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.280 1.435 -10.305 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.746 1.968 -9.447 1.00 0.00 H new ATOM 977 N LEU A 65 7.484 4.514 -6.406 1.00 0.00 N ATOM 978 CA LEU A 65 6.838 5.169 -5.281 1.00 0.00 C ATOM 979 C LEU A 65 6.251 6.505 -5.743 1.00 0.00 C ATOM 980 O LEU A 65 5.067 6.769 -5.543 1.00 0.00 O ATOM 981 CB LEU A 65 7.809 5.298 -4.106 1.00 0.00 C ATOM 982 CG LEU A 65 7.410 6.290 -3.012 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.117 5.853 -2.320 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.553 6.496 -2.015 1.00 0.00 C ATOM 0 H LEU A 65 8.487 4.366 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 65 6.008 4.565 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.930 4.315 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.784 5.591 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 65 7.214 7.254 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.856 6.576 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.312 5.799 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.261 4.872 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.243 7.206 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.805 5.544 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.426 6.886 -2.538 1.00 0.00 H new ATOM 996 N LYS A 66 7.107 7.312 -6.352 1.00 0.00 N ATOM 997 CA LYS A 66 6.689 8.614 -6.844 1.00 0.00 C ATOM 998 C LYS A 66 5.462 8.444 -7.743 1.00 0.00 C ATOM 999 O LYS A 66 4.434 9.082 -7.522 1.00 0.00 O ATOM 1000 CB LYS A 66 7.856 9.330 -7.526 1.00 0.00 C ATOM 1001 CG LYS A 66 7.449 10.733 -7.979 1.00 0.00 C ATOM 1002 CD LYS A 66 7.444 10.836 -9.506 1.00 0.00 C ATOM 1003 CE LYS A 66 8.845 11.139 -10.040 1.00 0.00 C ATOM 1004 NZ LYS A 66 8.774 12.088 -11.174 1.00 0.00 N ATOM 0 H LYS A 66 8.089 7.089 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 66 6.392 9.257 -6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.699 9.396 -6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.191 8.749 -8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.458 10.971 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.139 11.468 -7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.081 9.902 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.754 11.620 -9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.461 11.559 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.326 10.215 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.734 12.283 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.204 11.673 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.335 12.976 -10.857 1.00 0.00 H new ATOM 1018 N ILE A 67 5.611 7.581 -8.737 1.00 0.00 N ATOM 1019 CA ILE A 67 4.528 7.319 -9.669 1.00 0.00 C ATOM 1020 C ILE A 67 3.340 6.724 -8.911 1.00 0.00 C ATOM 1021 O ILE A 67 2.188 7.020 -9.224 1.00 0.00 O ATOM 1022 CB ILE A 67 5.018 6.448 -10.828 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.226 7.082 -11.519 1.00 0.00 C ATOM 1024 CG2 ILE A 67 3.883 6.155 -11.811 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.115 6.014 -12.159 1.00 0.00 C ATOM 0 H ILE A 67 6.466 7.054 -8.917 1.00 0.00 H new ATOM 0 HA ILE A 67 4.183 8.248 -10.123 1.00 0.00 H new ATOM 0 HB ILE A 67 5.347 5.492 -10.421 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.887 7.783 -12.282 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.804 7.655 -10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.258 5.534 -12.625 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.080 5.629 -11.294 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.501 7.092 -12.216 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.966 6.492 -12.643 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.472 5.329 -11.390 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.540 5.459 -12.900 1.00 0.00 H new ATOM 1037 N TRP A 68 3.662 5.895 -7.928 1.00 0.00 N ATOM 1038 CA TRP A 68 2.635 5.256 -7.123 1.00 0.00 C ATOM 1039 C TRP A 68 1.774 6.354 -6.495 1.00 0.00 C ATOM 1040 O TRP A 68 0.548 6.312 -6.582 1.00 0.00 O ATOM 1041 CB TRP A 68 3.257 4.318 -6.086 1.00 0.00 C ATOM 1042 CG TRP A 68 2.240 3.672 -5.143 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.704 2.446 -5.222 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.656 4.271 -3.967 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.821 2.213 -4.188 1.00 0.00 N ATOM 1046 CE2 TRP A 68 0.791 3.358 -3.401 1.00 0.00 C ATOM 1047 CE3 TRP A 68 1.853 5.543 -3.401 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.053 3.619 -2.240 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.108 5.789 -2.241 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.232 4.880 -1.658 1.00 0.00 C ATOM 0 H TRP A 68 4.619 5.652 -7.671 1.00 0.00 H new ATOM 0 HA TRP A 68 1.997 4.625 -7.742 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.806 3.532 -6.605 1.00 0.00 H new ATOM 0 HB3 TRP A 68 3.982 4.877 -5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.934 1.731 -5.998 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.288 1.358 -4.030 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.526 6.273 -3.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.618 2.887 -1.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.222 6.752 -1.766 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.308 5.145 -0.761 1.00 0.00 H new ATOM 1061 N MET A 69 2.450 7.311 -5.877 1.00 0.00 N ATOM 1062 CA MET A 69 1.762 8.419 -5.236 1.00 0.00 C ATOM 1063 C MET A 69 0.770 9.078 -6.195 1.00 0.00 C ATOM 1064 O MET A 69 -0.425 9.143 -5.910 1.00 0.00 O ATOM 1065 CB MET A 69 2.787 9.455 -4.770 1.00 0.00 C ATOM 1066 CG MET A 69 3.458 9.016 -3.467 1.00 0.00 C ATOM 1067 SD MET A 69 5.220 8.867 -3.707 1.00 0.00 S ATOM 1068 CE MET A 69 5.796 10.091 -2.543 1.00 0.00 C ATOM 0 H MET A 69 3.467 7.342 -5.806 1.00 0.00 H new ATOM 0 HA MET A 69 1.208 8.032 -4.381 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.543 9.597 -5.542 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.296 10.417 -4.624 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.250 9.740 -2.679 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.045 8.062 -3.140 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.713 9.740 -2.070 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.993 11.027 -3.066 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.034 10.255 -1.781 1.00 0.00 H new ATOM 1078 N HIS A 70 1.301 9.549 -7.314 1.00 0.00 N ATOM 1079 CA HIS A 70 0.476 10.201 -8.317 1.00 0.00 C ATOM 1080 C HIS A 70 -0.673 9.274 -8.718 1.00 0.00 C ATOM 1081 O HIS A 70 -1.841 9.647 -8.617 1.00 0.00 O ATOM 1082 CB HIS A 70 1.323 10.645 -9.511 1.00 0.00 C ATOM 1083 CG HIS A 70 0.569 11.470 -10.527 1.00 0.00 C ATOM 1084 ND1 HIS A 70 0.409 12.840 -10.410 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -0.067 11.104 -11.677 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.293 13.269 -11.449 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -0.588 12.192 -12.232 1.00 0.00 N ATOM 0 H HIS A 70 2.292 9.492 -7.548 1.00 0.00 H new ATOM 0 HA HIS A 70 0.037 11.107 -7.899 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.172 11.224 -9.146 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.728 9.762 -10.004 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.135 10.100 -12.069 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.581 14.292 -11.642 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.121 12.218 -13.101 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.302 8.082 -9.164 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.287 7.099 -9.580 1.00 0.00 C ATOM 1097 C ASN A 71 -2.463 7.115 -8.601 1.00 0.00 C ATOM 1098 O ASN A 71 -3.595 6.819 -8.979 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.692 5.689 -9.582 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.407 5.216 -11.009 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -0.973 4.250 -11.494 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.498 5.949 -11.651 1.00 0.00 N ATOM 0 H ASN A 71 0.667 7.775 -9.246 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.612 7.354 -10.588 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.230 5.679 -9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.382 4.999 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.757 5.715 -12.609 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.933 6.745 -11.185 1.00 0.00 H new ATOM 1109 N ASN A 72 -2.153 7.462 -7.360 1.00 0.00 N ATOM 1110 CA ASN A 72 -3.169 7.520 -6.323 1.00 0.00 C ATOM 1111 C ASN A 72 -3.726 8.943 -6.240 1.00 0.00 C ATOM 1112 O ASN A 72 -4.907 9.167 -6.497 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.583 7.161 -4.957 1.00 0.00 C ATOM 1114 CG ASN A 72 -2.317 5.658 -4.852 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -3.221 4.848 -4.731 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -1.029 5.332 -4.905 1.00 0.00 N ATOM 0 H ASN A 72 -1.212 7.706 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.952 6.806 -6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.655 7.710 -4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.272 7.468 -4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.748 4.354 -4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.322 6.060 -5.007 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.848 9.867 -5.879 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.236 11.262 -5.758 1.00 0.00 C ATOM 1125 C LYS A 73 -4.083 11.658 -6.970 1.00 0.00 C ATOM 1126 O LYS A 73 -4.137 10.928 -7.959 1.00 0.00 O ATOM 1127 CB LYS A 73 -2.004 12.146 -5.554 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.559 12.779 -6.874 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.103 13.244 -6.795 1.00 0.00 C ATOM 1130 CE LYS A 73 -0.021 14.730 -6.437 1.00 0.00 C ATOM 1131 NZ LYS A 73 1.275 15.297 -6.874 1.00 0.00 N ATOM 0 H LYS A 73 -1.869 9.677 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.855 11.409 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.229 12.928 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.190 11.552 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.671 12.058 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.203 13.626 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.430 12.656 -6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.391 13.069 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.840 15.270 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.136 14.858 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.315 16.306 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.052 14.792 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.370 15.192 -7.904 1.00 0.00 H new ATOM 1145 N ASN A 74 -4.723 12.812 -6.853 1.00 0.00 N ATOM 1146 CA ASN A 74 -5.564 13.314 -7.926 1.00 0.00 C ATOM 1147 C ASN A 74 -4.874 13.063 -9.269 1.00 0.00 C ATOM 1148 O ASN A 74 -3.944 13.780 -9.635 1.00 0.00 O ATOM 1149 CB ASN A 74 -5.796 14.819 -7.787 1.00 0.00 C ATOM 1150 CG ASN A 74 -4.467 15.577 -7.751 1.00 0.00 C ATOM 1151 OD1 ASN A 74 -3.732 15.546 -6.778 1.00 0.00 O ATOM 1152 ND2 ASN A 74 -4.202 16.258 -8.862 1.00 0.00 N ATOM 0 H ASN A 74 -4.676 13.414 -6.031 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.522 12.796 -7.874 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.400 15.176 -8.621 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.359 15.021 -6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.339 16.797 -8.936 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.861 16.241 -9.640 1.00 0.00 H new ATOM 1159 N SER A 75 -5.356 12.045 -9.965 1.00 0.00 N ATOM 1160 CA SER A 75 -4.798 11.691 -11.259 1.00 0.00 C ATOM 1161 C SER A 75 -5.163 12.756 -12.295 1.00 0.00 C ATOM 1162 O SER A 75 -4.320 13.562 -12.686 1.00 0.00 O ATOM 1163 CB SER A 75 -5.290 10.316 -11.714 1.00 0.00 C ATOM 1164 OG SER A 75 -5.862 9.572 -10.642 1.00 0.00 O ATOM 0 H SER A 75 -6.128 11.453 -9.657 1.00 0.00 H new ATOM 0 HA SER A 75 -3.713 11.644 -11.162 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.030 10.439 -12.505 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.458 9.756 -12.140 1.00 0.00 H new ATOM 0 HG SER A 75 -6.681 9.131 -10.950 1.00 0.00 H new ATOM 1170 N GLY A 76 -6.421 12.724 -12.711 1.00 0.00 N ATOM 1171 CA GLY A 76 -6.908 13.676 -13.695 1.00 0.00 C ATOM 1172 C GLY A 76 -7.981 14.586 -13.092 1.00 0.00 C ATOM 1173 O GLY A 76 -9.149 14.209 -13.019 1.00 0.00 O ATOM 0 H GLY A 76 -7.117 12.054 -12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.079 14.280 -14.064 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.319 13.141 -14.552 1.00 0.00 H new ATOM 1177 N PRO A 77 -7.533 15.797 -12.665 1.00 0.00 N ATOM 1178 CA PRO A 77 -8.441 16.763 -12.072 1.00 0.00 C ATOM 1179 C PRO A 77 -9.314 17.424 -13.141 1.00 0.00 C ATOM 1180 O PRO A 77 -9.320 18.647 -13.274 1.00 0.00 O ATOM 1181 CB PRO A 77 -7.544 17.751 -11.344 1.00 0.00 C ATOM 1182 CG PRO A 77 -6.157 17.571 -11.939 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.156 16.277 -12.736 1.00 0.00 C ATOM 0 HA PRO A 77 -9.150 16.305 -11.382 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.898 18.773 -11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.537 17.556 -10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.905 18.415 -12.581 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.405 17.534 -11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.849 16.448 -13.768 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.461 15.552 -12.312 1.00 0.00 H new ATOM 1191 N SER A 78 -10.030 16.586 -13.875 1.00 0.00 N ATOM 1192 CA SER A 78 -10.905 17.073 -14.928 1.00 0.00 C ATOM 1193 C SER A 78 -10.074 17.695 -16.053 1.00 0.00 C ATOM 1194 O SER A 78 -9.941 18.916 -16.128 1.00 0.00 O ATOM 1195 CB SER A 78 -11.908 18.092 -14.384 1.00 0.00 C ATOM 1196 OG SER A 78 -13.248 17.765 -14.742 1.00 0.00 O ATOM 0 H SER A 78 -10.022 15.572 -13.762 1.00 0.00 H new ATOM 0 HA SER A 78 -11.467 16.227 -15.324 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.824 18.139 -13.298 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.662 19.083 -14.766 1.00 0.00 H new ATOM 0 HG SER A 78 -13.858 18.438 -14.375 1.00 0.00 H new ATOM 1202 N SER A 79 -9.537 16.828 -16.898 1.00 0.00 N ATOM 1203 CA SER A 79 -8.722 17.277 -18.014 1.00 0.00 C ATOM 1204 C SER A 79 -9.551 17.276 -19.300 1.00 0.00 C ATOM 1205 O SER A 79 -10.039 16.231 -19.727 1.00 0.00 O ATOM 1206 CB SER A 79 -7.482 16.397 -18.181 1.00 0.00 C ATOM 1207 OG SER A 79 -6.326 16.986 -17.593 1.00 0.00 O ATOM 0 H SER A 79 -9.650 15.816 -16.832 1.00 0.00 H new ATOM 0 HA SER A 79 -8.387 18.293 -17.805 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.664 15.424 -17.726 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.301 16.224 -19.242 1.00 0.00 H new ATOM 0 HG SER A 79 -5.556 16.393 -17.719 1.00 0.00 H new ATOM 1213 N GLY A 80 -9.685 18.459 -19.882 1.00 0.00 N ATOM 1214 CA GLY A 80 -10.446 18.607 -21.110 1.00 0.00 C ATOM 1215 C GLY A 80 -9.560 18.375 -22.336 1.00 0.00 C ATOM 1216 O GLY A 80 -8.673 19.177 -22.626 1.00 0.00 O ATOM 0 H GLY A 80 -9.279 19.324 -19.525 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.274 17.899 -21.116 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.880 19.606 -21.155 1.00 0.00 H new TER 1220 GLY A 80