USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=21 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 61:sc= 0.0248 USER MOD Single : A 8 SER OG : rot 38:sc= 0.242 USER MOD Single : A 9 ASN : amide:sc= -0.488 K(o=-0.49,f=-5!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 17 THR OG1 : rot 55:sc= 1.05 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0478 USER MOD Single : A 28 GLN : amide:sc= -8! C(o=-8!,f=-9.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -138:sc= -0.164 (180deg=-1.63!) USER MOD Single : A 32 MET CE :methyl -147:sc= -2.77! (180deg=-4.16!) USER MOD Single : A 44 GLN : amide:sc= -0.747 X(o=-0.75,f=-0.85) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -3.09 F(o=-4.1,f=-3.1) USER MOD Single : A 53 GLN : amide:sc=-0.000155 X(o=-0.00016,f=-0.046) USER MOD Single : A 55 CYS SG : rot 104:sc= -0.677 USER MOD Single : A 58 THR OG1 : rot -143:sc= 1.43 USER MOD Single : A 63 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.008) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 164:sc= -7.59! (180deg=-7.83!) USER MOD Single : A 70 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.4!) USER MOD Single : A 71 ASN : amide:sc= -0.104! K(o=-0.1!,f=-0.81) USER MOD Single : A 72 ASN : amide:sc= 0.72 K(o=0.72,f=-0.91) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.268 USER MOD Single : A 79 SER OG : rot 180:sc=-0.000311 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.110 -13.397 -20.090 1.00 0.00 N ATOM 2 CA GLY A 1 16.576 -12.392 -21.030 1.00 0.00 C ATOM 3 C GLY A 1 15.409 -11.796 -21.819 1.00 0.00 C ATOM 4 O GLY A 1 14.617 -12.527 -22.411 1.00 0.00 O ATOM 0 H1 GLY A 1 16.921 -13.786 -19.567 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.442 -12.963 -19.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.633 -14.162 -20.608 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.098 -11.600 -20.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.295 -12.838 -21.718 1.00 0.00 H new ATOM 8 N SER A 2 15.339 -10.473 -21.801 1.00 0.00 N ATOM 9 CA SER A 2 14.281 -9.770 -22.507 1.00 0.00 C ATOM 10 C SER A 2 14.826 -8.472 -23.108 1.00 0.00 C ATOM 11 O SER A 2 15.847 -7.956 -22.656 1.00 0.00 O ATOM 12 CB SER A 2 13.103 -9.471 -21.578 1.00 0.00 C ATOM 13 OG SER A 2 12.660 -10.635 -20.886 1.00 0.00 O ATOM 0 H SER A 2 15.998 -9.869 -21.309 1.00 0.00 H new ATOM 0 HA SER A 2 13.921 -10.412 -23.311 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.395 -8.709 -20.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.278 -9.059 -22.159 1.00 0.00 H new ATOM 0 HG SER A 2 11.908 -10.402 -20.302 1.00 0.00 H new ATOM 19 N SER A 3 14.121 -7.983 -24.117 1.00 0.00 N ATOM 20 CA SER A 3 14.521 -6.756 -24.784 1.00 0.00 C ATOM 21 C SER A 3 13.545 -5.630 -24.438 1.00 0.00 C ATOM 22 O SER A 3 12.332 -5.838 -24.420 1.00 0.00 O ATOM 23 CB SER A 3 14.590 -6.951 -26.300 1.00 0.00 C ATOM 24 OG SER A 3 15.861 -7.441 -26.718 1.00 0.00 O ATOM 0 H SER A 3 13.275 -8.414 -24.489 1.00 0.00 H new ATOM 0 HA SER A 3 15.517 -6.485 -24.434 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.812 -7.648 -26.612 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.386 -6.003 -26.797 1.00 0.00 H new ATOM 0 HG SER A 3 15.864 -7.554 -27.691 1.00 0.00 H new ATOM 30 N GLY A 4 14.110 -4.461 -24.171 1.00 0.00 N ATOM 31 CA GLY A 4 13.304 -3.302 -23.827 1.00 0.00 C ATOM 32 C GLY A 4 13.764 -2.065 -24.601 1.00 0.00 C ATOM 33 O GLY A 4 13.715 -2.044 -25.830 1.00 0.00 O ATOM 0 H GLY A 4 15.116 -4.292 -24.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.256 -3.505 -24.048 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.373 -3.112 -22.756 1.00 0.00 H new ATOM 37 N SER A 5 14.201 -1.065 -23.850 1.00 0.00 N ATOM 38 CA SER A 5 14.670 0.173 -24.450 1.00 0.00 C ATOM 39 C SER A 5 16.118 0.013 -24.916 1.00 0.00 C ATOM 40 O SER A 5 16.999 -0.302 -24.117 1.00 0.00 O ATOM 41 CB SER A 5 14.553 1.340 -23.468 1.00 0.00 C ATOM 42 OG SER A 5 13.293 1.997 -23.567 1.00 0.00 O ATOM 0 H SER A 5 14.240 -1.087 -22.831 1.00 0.00 H new ATOM 0 HA SER A 5 14.041 0.395 -25.312 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.692 0.973 -22.451 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.352 2.057 -23.660 1.00 0.00 H new ATOM 0 HG SER A 5 13.257 2.735 -22.923 1.00 0.00 H new ATOM 48 N SER A 6 16.320 0.238 -26.206 1.00 0.00 N ATOM 49 CA SER A 6 17.646 0.123 -26.787 1.00 0.00 C ATOM 50 C SER A 6 17.598 0.476 -28.275 1.00 0.00 C ATOM 51 O SER A 6 18.276 1.402 -28.719 1.00 0.00 O ATOM 52 CB SER A 6 18.212 -1.286 -26.594 1.00 0.00 C ATOM 53 OG SER A 6 19.350 -1.291 -25.736 1.00 0.00 O ATOM 0 H SER A 6 15.587 0.499 -26.865 1.00 0.00 H new ATOM 0 HA SER A 6 18.305 0.824 -26.275 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.440 -1.933 -26.176 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.487 -1.702 -27.563 1.00 0.00 H new ATOM 0 HG SER A 6 19.093 -0.959 -24.850 1.00 0.00 H new ATOM 59 N GLY A 7 16.791 -0.280 -29.004 1.00 0.00 N ATOM 60 CA GLY A 7 16.646 -0.059 -30.433 1.00 0.00 C ATOM 61 C GLY A 7 16.184 -1.334 -31.142 1.00 0.00 C ATOM 62 O GLY A 7 16.996 -2.057 -31.717 1.00 0.00 O ATOM 0 H GLY A 7 16.230 -1.047 -28.632 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.926 0.740 -30.610 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.597 0.270 -30.852 1.00 0.00 H new ATOM 66 N SER A 8 14.882 -1.570 -31.077 1.00 0.00 N ATOM 67 CA SER A 8 14.303 -2.745 -31.705 1.00 0.00 C ATOM 68 C SER A 8 12.810 -2.522 -31.956 1.00 0.00 C ATOM 69 O SER A 8 12.351 -2.599 -33.095 1.00 0.00 O ATOM 70 CB SER A 8 14.515 -3.992 -30.843 1.00 0.00 C ATOM 71 OG SER A 8 15.677 -4.718 -31.233 1.00 0.00 O ATOM 0 H SER A 8 14.212 -0.968 -30.599 1.00 0.00 H new ATOM 0 HA SER A 8 14.806 -2.905 -32.659 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.605 -3.699 -29.797 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.641 -4.639 -30.919 1.00 0.00 H new ATOM 0 HG SER A 8 16.386 -4.090 -31.485 1.00 0.00 H new ATOM 77 N ASN A 9 12.095 -2.250 -30.875 1.00 0.00 N ATOM 78 CA ASN A 9 10.664 -2.014 -30.964 1.00 0.00 C ATOM 79 C ASN A 9 10.396 -0.508 -30.942 1.00 0.00 C ATOM 80 O ASN A 9 10.562 0.140 -29.910 1.00 0.00 O ATOM 81 CB ASN A 9 9.927 -2.643 -29.780 1.00 0.00 C ATOM 82 CG ASN A 9 10.163 -4.154 -29.727 1.00 0.00 C ATOM 83 OD1 ASN A 9 11.220 -4.656 -30.070 1.00 0.00 O ATOM 84 ND2 ASN A 9 9.121 -4.848 -29.279 1.00 0.00 N ATOM 0 H ASN A 9 12.480 -2.188 -29.932 1.00 0.00 H new ATOM 0 HA ASN A 9 10.306 -2.462 -31.891 1.00 0.00 H new ATOM 0 HB2 ASN A 9 10.267 -2.185 -28.851 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.859 -2.441 -29.863 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.178 -5.864 -29.206 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.265 -4.365 -29.008 1.00 0.00 H new ATOM 91 N PRO A 10 9.976 0.018 -32.123 1.00 0.00 N ATOM 92 CA PRO A 10 9.684 1.436 -32.249 1.00 0.00 C ATOM 93 C PRO A 10 8.352 1.783 -31.581 1.00 0.00 C ATOM 94 O PRO A 10 7.292 1.633 -32.187 1.00 0.00 O ATOM 95 CB PRO A 10 9.687 1.708 -33.744 1.00 0.00 C ATOM 96 CG PRO A 10 9.519 0.353 -34.414 1.00 0.00 C ATOM 97 CD PRO A 10 9.768 -0.719 -33.366 1.00 0.00 C ATOM 0 HA PRO A 10 10.418 2.063 -31.743 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.877 2.383 -34.020 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.618 2.184 -34.053 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.516 0.255 -34.830 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.220 0.247 -35.242 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.920 -1.399 -33.286 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.639 -1.324 -33.618 1.00 0.00 H new ATOM 105 N SER A 11 8.449 2.240 -30.341 1.00 0.00 N ATOM 106 CA SER A 11 7.265 2.609 -29.584 1.00 0.00 C ATOM 107 C SER A 11 7.109 4.131 -29.567 1.00 0.00 C ATOM 108 O SER A 11 8.099 4.861 -29.577 1.00 0.00 O ATOM 109 CB SER A 11 7.334 2.066 -28.155 1.00 0.00 C ATOM 110 OG SER A 11 7.226 0.646 -28.118 1.00 0.00 O ATOM 0 H SER A 11 9.330 2.363 -29.842 1.00 0.00 H new ATOM 0 HA SER A 11 6.396 2.166 -30.070 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.275 2.370 -27.697 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.533 2.506 -27.561 1.00 0.00 H new ATOM 0 HG SER A 11 7.276 0.338 -27.189 1.00 0.00 H new ATOM 116 N SER A 12 5.857 4.565 -29.540 1.00 0.00 N ATOM 117 CA SER A 12 5.558 5.986 -29.522 1.00 0.00 C ATOM 118 C SER A 12 6.231 6.647 -28.317 1.00 0.00 C ATOM 119 O SER A 12 7.025 7.573 -28.475 1.00 0.00 O ATOM 120 CB SER A 12 4.048 6.231 -29.486 1.00 0.00 C ATOM 121 OG SER A 12 3.701 7.503 -30.027 1.00 0.00 O ATOM 0 H SER A 12 5.038 3.957 -29.530 1.00 0.00 H new ATOM 0 HA SER A 12 5.949 6.429 -30.438 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.540 5.447 -30.048 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.694 6.166 -28.457 1.00 0.00 H new ATOM 0 HG SER A 12 2.729 7.621 -29.988 1.00 0.00 H new ATOM 127 N SER A 13 5.890 6.144 -27.139 1.00 0.00 N ATOM 128 CA SER A 13 6.451 6.674 -25.908 1.00 0.00 C ATOM 129 C SER A 13 7.774 5.973 -25.592 1.00 0.00 C ATOM 130 O SER A 13 8.814 6.621 -25.483 1.00 0.00 O ATOM 131 CB SER A 13 5.474 6.513 -24.743 1.00 0.00 C ATOM 132 OG SER A 13 5.853 7.297 -23.615 1.00 0.00 O ATOM 0 H SER A 13 5.232 5.375 -27.011 1.00 0.00 H new ATOM 0 HA SER A 13 6.635 7.739 -26.047 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.474 6.803 -25.066 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.424 5.463 -24.454 1.00 0.00 H new ATOM 0 HG SER A 13 5.203 7.168 -22.893 1.00 0.00 H new ATOM 138 N GLY A 14 7.692 4.658 -25.455 1.00 0.00 N ATOM 139 CA GLY A 14 8.870 3.862 -25.154 1.00 0.00 C ATOM 140 C GLY A 14 8.573 2.836 -24.058 1.00 0.00 C ATOM 141 O GLY A 14 7.628 2.058 -24.171 1.00 0.00 O ATOM 0 H GLY A 14 6.828 4.124 -25.547 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.207 3.350 -26.055 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.683 4.515 -24.836 1.00 0.00 H new ATOM 145 N GLY A 15 9.398 2.870 -23.022 1.00 0.00 N ATOM 146 CA GLY A 15 9.236 1.953 -21.906 1.00 0.00 C ATOM 147 C GLY A 15 7.892 2.171 -21.208 1.00 0.00 C ATOM 148 O GLY A 15 7.028 1.297 -21.231 1.00 0.00 O ATOM 0 H GLY A 15 10.181 3.518 -22.932 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.302 0.925 -22.263 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.048 2.096 -21.193 1.00 0.00 H new ATOM 152 N THR A 16 7.759 3.343 -20.604 1.00 0.00 N ATOM 153 CA THR A 16 6.535 3.687 -19.901 1.00 0.00 C ATOM 154 C THR A 16 5.404 3.953 -20.897 1.00 0.00 C ATOM 155 O THR A 16 5.654 4.170 -22.082 1.00 0.00 O ATOM 156 CB THR A 16 6.833 4.878 -18.988 1.00 0.00 C ATOM 157 OG1 THR A 16 7.335 5.876 -19.873 1.00 0.00 O ATOM 158 CG2 THR A 16 7.997 4.607 -18.033 1.00 0.00 C ATOM 0 H THR A 16 8.478 4.066 -20.587 1.00 0.00 H new ATOM 0 HA THR A 16 6.190 2.860 -19.280 1.00 0.00 H new ATOM 0 HB THR A 16 5.942 5.126 -18.412 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.553 6.685 -19.364 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.167 5.484 -17.408 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.758 3.752 -17.401 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.897 4.392 -18.609 1.00 0.00 H new ATOM 166 N THR A 17 4.185 3.928 -20.379 1.00 0.00 N ATOM 167 CA THR A 17 3.015 4.163 -21.208 1.00 0.00 C ATOM 168 C THR A 17 1.772 4.352 -20.336 1.00 0.00 C ATOM 169 O THR A 17 1.157 5.417 -20.348 1.00 0.00 O ATOM 170 CB THR A 17 2.893 3.001 -22.196 1.00 0.00 C ATOM 171 OG1 THR A 17 3.397 3.530 -23.419 1.00 0.00 O ATOM 172 CG2 THR A 17 1.438 2.651 -22.513 1.00 0.00 C ATOM 0 H THR A 17 3.982 3.749 -19.396 1.00 0.00 H new ATOM 0 HA THR A 17 3.115 5.085 -21.780 1.00 0.00 H new ATOM 0 HB THR A 17 3.396 2.124 -21.788 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.298 3.886 -23.274 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.409 1.821 -23.218 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.924 2.366 -21.595 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.943 3.517 -22.952 1.00 0.00 H new ATOM 180 N LYS A 18 1.440 3.301 -19.600 1.00 0.00 N ATOM 181 CA LYS A 18 0.282 3.338 -18.723 1.00 0.00 C ATOM 182 C LYS A 18 0.161 2.001 -17.989 1.00 0.00 C ATOM 183 O LYS A 18 -0.214 1.963 -16.818 1.00 0.00 O ATOM 184 CB LYS A 18 -0.973 3.724 -19.509 1.00 0.00 C ATOM 185 CG LYS A 18 -1.219 2.749 -20.662 1.00 0.00 C ATOM 186 CD LYS A 18 -2.716 2.596 -20.941 1.00 0.00 C ATOM 187 CE LYS A 18 -3.058 3.050 -22.361 1.00 0.00 C ATOM 188 NZ LYS A 18 -2.881 1.935 -23.318 1.00 0.00 N ATOM 0 H LYS A 18 1.953 2.419 -19.593 1.00 0.00 H new ATOM 0 HA LYS A 18 0.404 4.110 -17.963 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.836 3.730 -18.843 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.865 4.736 -19.900 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.713 3.106 -21.559 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.790 1.777 -20.419 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.010 1.555 -20.808 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.286 3.183 -20.221 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.087 3.408 -22.397 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.419 3.886 -22.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.117 2.260 -24.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.893 1.612 -23.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.508 1.149 -23.055 1.00 0.00 H new ATOM 202 N ARG A 19 0.486 0.936 -18.708 1.00 0.00 N ATOM 203 CA ARG A 19 0.418 -0.400 -18.139 1.00 0.00 C ATOM 204 C ARG A 19 1.690 -0.703 -17.345 1.00 0.00 C ATOM 205 O ARG A 19 2.753 -0.916 -17.927 1.00 0.00 O ATOM 206 CB ARG A 19 0.243 -1.455 -19.233 1.00 0.00 C ATOM 207 CG ARG A 19 -1.102 -2.170 -19.095 1.00 0.00 C ATOM 208 CD ARG A 19 -1.135 -3.446 -19.939 1.00 0.00 C ATOM 209 NE ARG A 19 -0.159 -4.426 -19.413 1.00 0.00 N ATOM 210 CZ ARG A 19 1.108 -4.526 -19.836 1.00 0.00 C ATOM 211 NH1 ARG A 19 1.561 -3.706 -20.794 1.00 0.00 N ATOM 212 NH2 ARG A 19 1.923 -5.446 -19.301 1.00 0.00 N ATOM 0 H ARG A 19 0.797 0.971 -19.679 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.446 -0.435 -17.475 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.309 -0.982 -20.213 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.053 -2.182 -19.175 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.280 -2.417 -18.049 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.906 -1.503 -19.406 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.137 -3.875 -19.925 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.903 -3.211 -20.978 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.471 -5.066 -18.682 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.941 -3.006 -21.201 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.526 -3.782 -21.116 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.578 -6.070 -18.572 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.888 -5.522 -19.623 1.00 0.00 H new ATOM 226 N PHE A 20 1.539 -0.715 -16.029 1.00 0.00 N ATOM 227 CA PHE A 20 2.663 -0.989 -15.149 1.00 0.00 C ATOM 228 C PHE A 20 2.641 -2.442 -14.669 1.00 0.00 C ATOM 229 O PHE A 20 1.582 -3.065 -14.611 1.00 0.00 O ATOM 230 CB PHE A 20 2.520 -0.063 -13.940 1.00 0.00 C ATOM 231 CG PHE A 20 2.629 1.425 -14.280 1.00 0.00 C ATOM 232 CD1 PHE A 20 3.851 2.003 -14.420 1.00 0.00 C ATOM 233 CD2 PHE A 20 1.502 2.169 -14.442 1.00 0.00 C ATOM 234 CE1 PHE A 20 3.952 3.384 -14.735 1.00 0.00 C ATOM 235 CE2 PHE A 20 1.602 3.550 -14.757 1.00 0.00 C ATOM 236 CZ PHE A 20 2.825 4.128 -14.897 1.00 0.00 C ATOM 0 H PHE A 20 0.656 -0.539 -15.550 1.00 0.00 H new ATOM 0 HA PHE A 20 3.601 -0.823 -15.680 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.556 -0.247 -13.466 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.288 -0.315 -13.209 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.746 1.412 -14.292 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.531 1.709 -14.331 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.923 3.843 -14.846 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.707 4.141 -14.885 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.901 5.178 -15.137 1.00 0.00 H new ATOM 246 N ARG A 21 3.823 -2.940 -14.338 1.00 0.00 N ATOM 247 CA ARG A 21 3.953 -4.307 -13.865 1.00 0.00 C ATOM 248 C ARG A 21 4.795 -4.350 -12.588 1.00 0.00 C ATOM 249 O ARG A 21 6.024 -4.362 -12.650 1.00 0.00 O ATOM 250 CB ARG A 21 4.604 -5.198 -14.926 1.00 0.00 C ATOM 251 CG ARG A 21 4.190 -6.659 -14.743 1.00 0.00 C ATOM 252 CD ARG A 21 5.415 -7.555 -14.547 1.00 0.00 C ATOM 253 NE ARG A 21 5.640 -7.796 -13.104 1.00 0.00 N ATOM 254 CZ ARG A 21 6.662 -8.508 -12.611 1.00 0.00 C ATOM 255 NH1 ARG A 21 7.559 -9.055 -13.443 1.00 0.00 N ATOM 256 NH2 ARG A 21 6.787 -8.675 -11.288 1.00 0.00 N ATOM 0 H ARG A 21 4.700 -2.421 -14.388 1.00 0.00 H new ATOM 0 HA ARG A 21 2.951 -4.682 -13.657 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.316 -4.856 -15.920 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.689 -5.113 -14.862 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.528 -6.748 -13.882 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.626 -6.993 -15.614 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.269 -8.503 -15.064 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.294 -7.084 -14.987 1.00 0.00 H new ATOM 0 HE ARG A 21 4.975 -7.395 -12.443 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.463 -8.929 -14.451 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.338 -9.597 -13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.104 -8.260 -10.655 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.566 -9.217 -10.914 1.00 0.00 H new ATOM 270 N THR A 22 4.101 -4.370 -11.460 1.00 0.00 N ATOM 271 CA THR A 22 4.769 -4.411 -10.170 1.00 0.00 C ATOM 272 C THR A 22 3.877 -5.089 -9.128 1.00 0.00 C ATOM 273 O THR A 22 2.666 -4.877 -9.111 1.00 0.00 O ATOM 274 CB THR A 22 5.161 -2.980 -9.796 1.00 0.00 C ATOM 275 OG1 THR A 22 3.983 -2.220 -10.048 1.00 0.00 O ATOM 276 CG2 THR A 22 6.199 -2.388 -10.752 1.00 0.00 C ATOM 0 H THR A 22 3.082 -4.359 -11.412 1.00 0.00 H new ATOM 0 HA THR A 22 5.677 -5.012 -10.214 1.00 0.00 H new ATOM 0 HB THR A 22 5.554 -2.966 -8.780 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.148 -1.279 -9.830 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.442 -1.372 -10.441 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.102 -2.999 -10.733 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.794 -2.371 -11.764 1.00 0.00 H new ATOM 284 N LYS A 23 4.511 -5.890 -8.285 1.00 0.00 N ATOM 285 CA LYS A 23 3.791 -6.601 -7.243 1.00 0.00 C ATOM 286 C LYS A 23 4.422 -6.285 -5.886 1.00 0.00 C ATOM 287 O LYS A 23 5.607 -6.537 -5.675 1.00 0.00 O ATOM 288 CB LYS A 23 3.728 -8.097 -7.559 1.00 0.00 C ATOM 289 CG LYS A 23 2.800 -8.825 -6.584 1.00 0.00 C ATOM 290 CD LYS A 23 3.603 -9.567 -5.514 1.00 0.00 C ATOM 291 CE LYS A 23 2.675 -10.285 -4.531 1.00 0.00 C ATOM 292 NZ LYS A 23 3.463 -11.004 -3.505 1.00 0.00 N ATOM 0 H LYS A 23 5.516 -6.062 -8.302 1.00 0.00 H new ATOM 0 HA LYS A 23 2.755 -6.265 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.375 -8.242 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.728 -8.526 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.130 -8.108 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.175 -9.532 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.266 -10.291 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.235 -8.862 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.015 -9.562 -4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.040 -10.988 -5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.818 -11.486 -2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.075 -11.707 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.051 -10.325 -2.980 1.00 0.00 H new ATOM 306 N PHE A 24 3.603 -5.736 -5.001 1.00 0.00 N ATOM 307 CA PHE A 24 4.066 -5.383 -3.670 1.00 0.00 C ATOM 308 C PHE A 24 3.228 -6.077 -2.595 1.00 0.00 C ATOM 309 O PHE A 24 2.261 -6.770 -2.908 1.00 0.00 O ATOM 310 CB PHE A 24 3.904 -3.868 -3.527 1.00 0.00 C ATOM 311 CG PHE A 24 4.488 -3.068 -4.693 1.00 0.00 C ATOM 312 CD1 PHE A 24 5.778 -3.265 -5.075 1.00 0.00 C ATOM 313 CD2 PHE A 24 3.717 -2.158 -5.347 1.00 0.00 C ATOM 314 CE1 PHE A 24 6.320 -2.521 -6.157 1.00 0.00 C ATOM 315 CE2 PHE A 24 4.258 -1.415 -6.429 1.00 0.00 C ATOM 316 CZ PHE A 24 5.549 -1.612 -6.811 1.00 0.00 C ATOM 0 H PHE A 24 2.621 -5.527 -5.180 1.00 0.00 H new ATOM 0 HA PHE A 24 5.102 -5.696 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.844 -3.633 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.384 -3.547 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.391 -3.987 -4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.693 -2.001 -5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.345 -2.677 -6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.645 -0.694 -6.949 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.961 -1.046 -7.634 1.00 0.00 H new ATOM 326 N THR A 25 3.629 -5.867 -1.349 1.00 0.00 N ATOM 327 CA THR A 25 2.926 -6.464 -0.226 1.00 0.00 C ATOM 328 C THR A 25 2.162 -5.393 0.555 1.00 0.00 C ATOM 329 O THR A 25 2.524 -4.218 0.521 1.00 0.00 O ATOM 330 CB THR A 25 3.950 -7.221 0.623 1.00 0.00 C ATOM 331 OG1 THR A 25 3.176 -7.785 1.678 1.00 0.00 O ATOM 332 CG2 THR A 25 4.926 -6.284 1.337 1.00 0.00 C ATOM 0 H THR A 25 4.432 -5.292 -1.093 1.00 0.00 H new ATOM 0 HA THR A 25 2.172 -7.175 -0.563 1.00 0.00 H new ATOM 0 HB THR A 25 4.507 -7.911 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.761 -8.295 2.276 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.631 -6.872 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.471 -5.696 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.372 -5.616 1.996 1.00 0.00 H new ATOM 340 N ALA A 26 1.118 -5.838 1.239 1.00 0.00 N ATOM 341 CA ALA A 26 0.299 -4.932 2.027 1.00 0.00 C ATOM 342 C ALA A 26 1.202 -3.918 2.732 1.00 0.00 C ATOM 343 O ALA A 26 1.044 -2.712 2.554 1.00 0.00 O ATOM 344 CB ALA A 26 -0.552 -5.738 3.010 1.00 0.00 C ATOM 0 H ALA A 26 0.821 -6.813 1.264 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.384 -4.375 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.166 -5.059 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.196 -6.422 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.099 -6.308 3.673 1.00 0.00 H new ATOM 350 N GLU A 27 2.128 -4.446 3.519 1.00 0.00 N ATOM 351 CA GLU A 27 3.056 -3.602 4.253 1.00 0.00 C ATOM 352 C GLU A 27 3.458 -2.393 3.405 1.00 0.00 C ATOM 353 O GLU A 27 3.266 -1.250 3.816 1.00 0.00 O ATOM 354 CB GLU A 27 4.287 -4.396 4.695 1.00 0.00 C ATOM 355 CG GLU A 27 4.495 -4.289 6.207 1.00 0.00 C ATOM 356 CD GLU A 27 5.182 -5.541 6.755 1.00 0.00 C ATOM 357 OE1 GLU A 27 6.050 -6.075 6.031 1.00 0.00 O ATOM 358 OE2 GLU A 27 4.826 -5.935 7.887 1.00 0.00 O ATOM 0 H GLU A 27 2.256 -5.447 3.664 1.00 0.00 H new ATOM 0 HA GLU A 27 2.556 -3.241 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.169 -5.442 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.170 -4.024 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.098 -3.410 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.533 -4.152 6.701 1.00 0.00 H new ATOM 365 N GLN A 28 4.009 -2.688 2.236 1.00 0.00 N ATOM 366 CA GLN A 28 4.440 -1.639 1.327 1.00 0.00 C ATOM 367 C GLN A 28 3.299 -0.650 1.078 1.00 0.00 C ATOM 368 O GLN A 28 3.446 0.546 1.322 1.00 0.00 O ATOM 369 CB GLN A 28 4.949 -2.231 0.011 1.00 0.00 C ATOM 370 CG GLN A 28 6.421 -1.878 -0.215 1.00 0.00 C ATOM 371 CD GLN A 28 6.923 -2.446 -1.544 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.255 -2.394 -2.563 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.135 -2.991 -1.476 1.00 0.00 N ATOM 0 H GLN A 28 4.167 -3.637 1.898 1.00 0.00 H new ATOM 0 HA GLN A 28 5.267 -1.100 1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.829 -3.314 0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.349 -1.854 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.544 -0.795 -0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.023 -2.272 0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.641 -3.001 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.558 -3.398 -2.310 1.00 0.00 H new ATOM 382 N LYS A 29 2.188 -1.187 0.597 1.00 0.00 N ATOM 383 CA LYS A 29 1.022 -0.367 0.313 1.00 0.00 C ATOM 384 C LYS A 29 0.724 0.523 1.521 1.00 0.00 C ATOM 385 O LYS A 29 0.460 1.715 1.368 1.00 0.00 O ATOM 386 CB LYS A 29 -0.158 -1.242 -0.113 1.00 0.00 C ATOM 387 CG LYS A 29 0.095 -1.877 -1.482 1.00 0.00 C ATOM 388 CD LYS A 29 0.441 -3.361 -1.342 1.00 0.00 C ATOM 389 CE LYS A 29 -0.575 -4.232 -2.084 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.449 -4.941 -1.123 1.00 0.00 N ATOM 0 H LYS A 29 2.070 -2.180 0.397 1.00 0.00 H new ATOM 0 HA LYS A 29 1.218 0.295 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.322 -2.023 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.066 -0.641 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.790 -1.764 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.910 -1.356 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.440 -3.544 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.460 -3.636 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.180 -3.612 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.054 -4.954 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.133 -5.528 -1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.869 -5.547 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.960 -4.247 -0.541 1.00 0.00 H new ATOM 404 N GLU A 30 0.777 -0.089 2.694 1.00 0.00 N ATOM 405 CA GLU A 30 0.515 0.633 3.928 1.00 0.00 C ATOM 406 C GLU A 30 1.615 1.666 4.181 1.00 0.00 C ATOM 407 O GLU A 30 1.332 2.852 4.344 1.00 0.00 O ATOM 408 CB GLU A 30 0.384 -0.330 5.110 1.00 0.00 C ATOM 409 CG GLU A 30 -0.776 -1.304 4.897 1.00 0.00 C ATOM 410 CD GLU A 30 -1.159 -1.994 6.208 1.00 0.00 C ATOM 411 OE1 GLU A 30 -1.667 -1.279 7.098 1.00 0.00 O ATOM 412 OE2 GLU A 30 -0.936 -3.221 6.290 1.00 0.00 O ATOM 0 H GLU A 30 0.998 -1.077 2.817 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.434 1.159 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.313 -0.887 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.225 0.235 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.637 -0.768 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.496 -2.053 4.156 1.00 0.00 H new ATOM 419 N LYS A 31 2.846 1.178 4.207 1.00 0.00 N ATOM 420 CA LYS A 31 3.990 2.044 4.438 1.00 0.00 C ATOM 421 C LYS A 31 3.877 3.280 3.544 1.00 0.00 C ATOM 422 O LYS A 31 3.994 4.408 4.020 1.00 0.00 O ATOM 423 CB LYS A 31 5.296 1.269 4.253 1.00 0.00 C ATOM 424 CG LYS A 31 5.730 0.606 5.562 1.00 0.00 C ATOM 425 CD LYS A 31 5.765 -0.917 5.420 1.00 0.00 C ATOM 426 CE LYS A 31 7.192 -1.449 5.570 1.00 0.00 C ATOM 427 NZ LYS A 31 7.343 -2.172 6.852 1.00 0.00 N ATOM 0 H LYS A 31 3.077 0.194 4.072 1.00 0.00 H new ATOM 0 HA LYS A 31 3.999 2.395 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.166 0.509 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.078 1.945 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.716 0.971 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.042 0.885 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.123 -1.371 6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.366 -1.204 4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.427 -2.115 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.901 -0.622 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.253 -1.920 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.568 -1.908 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.314 -3.197 6.678 1.00 0.00 H new ATOM 441 N MET A 32 3.650 3.026 2.263 1.00 0.00 N ATOM 442 CA MET A 32 3.520 4.104 1.298 1.00 0.00 C ATOM 443 C MET A 32 2.359 5.031 1.664 1.00 0.00 C ATOM 444 O MET A 32 2.527 6.248 1.724 1.00 0.00 O ATOM 445 CB MET A 32 3.285 3.517 -0.095 1.00 0.00 C ATOM 446 CG MET A 32 4.601 3.064 -0.729 1.00 0.00 C ATOM 447 SD MET A 32 4.533 3.281 -2.500 1.00 0.00 S ATOM 448 CE MET A 32 4.684 1.582 -3.026 1.00 0.00 C ATOM 0 H MET A 32 3.553 2.089 1.872 1.00 0.00 H new ATOM 0 HA MET A 32 4.441 4.686 1.306 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.601 2.672 -0.026 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.808 4.262 -0.732 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.430 3.639 -0.316 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.788 2.017 -0.490 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.226 1.540 -3.971 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.228 1.014 -2.271 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.691 1.152 -3.158 1.00 0.00 H new ATOM 458 N LEU A 33 1.208 4.420 1.900 1.00 0.00 N ATOM 459 CA LEU A 33 0.019 5.175 2.259 1.00 0.00 C ATOM 460 C LEU A 33 0.396 6.259 3.270 1.00 0.00 C ATOM 461 O LEU A 33 -0.025 7.408 3.140 1.00 0.00 O ATOM 462 CB LEU A 33 -1.085 4.235 2.748 1.00 0.00 C ATOM 463 CG LEU A 33 -2.180 3.903 1.732 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.228 5.017 1.671 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.581 3.604 0.357 1.00 0.00 C ATOM 0 H LEU A 33 1.073 3.410 1.850 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.390 5.682 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.624 3.303 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.554 4.682 3.625 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.690 2.999 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.995 4.756 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.687 5.139 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.750 5.951 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.381 3.371 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.029 4.475 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.905 2.752 0.432 1.00 0.00 H new ATOM 477 N ALA A 34 1.184 5.857 4.256 1.00 0.00 N ATOM 478 CA ALA A 34 1.622 6.780 5.289 1.00 0.00 C ATOM 479 C ALA A 34 2.798 7.606 4.764 1.00 0.00 C ATOM 480 O ALA A 34 2.729 8.834 4.724 1.00 0.00 O ATOM 481 CB ALA A 34 1.979 5.998 6.555 1.00 0.00 C ATOM 0 H ALA A 34 1.531 4.904 4.361 1.00 0.00 H new ATOM 0 HA ALA A 34 0.822 7.473 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.308 6.691 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.103 5.452 6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.781 5.294 6.334 1.00 0.00 H new ATOM 487 N PHE A 35 3.848 6.900 4.373 1.00 0.00 N ATOM 488 CA PHE A 35 5.037 7.553 3.852 1.00 0.00 C ATOM 489 C PHE A 35 4.666 8.762 2.991 1.00 0.00 C ATOM 490 O PHE A 35 5.195 9.855 3.187 1.00 0.00 O ATOM 491 CB PHE A 35 5.766 6.527 2.983 1.00 0.00 C ATOM 492 CG PHE A 35 7.199 6.924 2.620 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.090 7.225 3.602 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.581 6.975 1.316 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.420 7.593 3.266 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.911 7.344 0.980 1.00 0.00 C ATOM 497 CZ PHE A 35 9.802 7.645 1.962 1.00 0.00 C ATOM 0 H PHE A 35 3.901 5.882 4.406 1.00 0.00 H new ATOM 0 HA PHE A 35 5.659 7.905 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.786 5.571 3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.198 6.375 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.786 7.184 4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.874 6.735 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.128 7.831 4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.215 7.385 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.813 7.925 1.706 1.00 0.00 H new ATOM 507 N ALA A 36 3.758 8.524 2.055 1.00 0.00 N ATOM 508 CA ALA A 36 3.310 9.580 1.162 1.00 0.00 C ATOM 509 C ALA A 36 2.635 10.682 1.982 1.00 0.00 C ATOM 510 O ALA A 36 3.054 11.838 1.938 1.00 0.00 O ATOM 511 CB ALA A 36 2.380 8.990 0.100 1.00 0.00 C ATOM 0 H ALA A 36 3.321 7.616 1.896 1.00 0.00 H new ATOM 0 HA ALA A 36 4.156 10.028 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.044 9.782 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.916 8.233 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.517 8.534 0.585 1.00 0.00 H new ATOM 517 N GLU A 37 1.602 10.285 2.710 1.00 0.00 N ATOM 518 CA GLU A 37 0.865 11.225 3.538 1.00 0.00 C ATOM 519 C GLU A 37 1.832 12.127 4.306 1.00 0.00 C ATOM 520 O GLU A 37 1.533 13.294 4.556 1.00 0.00 O ATOM 521 CB GLU A 37 -0.077 10.491 4.494 1.00 0.00 C ATOM 522 CG GLU A 37 -1.504 10.459 3.942 1.00 0.00 C ATOM 523 CD GLU A 37 -2.093 11.869 3.863 1.00 0.00 C ATOM 524 OE1 GLU A 37 -2.596 12.333 4.909 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.026 12.451 2.759 1.00 0.00 O ATOM 0 H GLU A 37 1.258 9.325 2.744 1.00 0.00 H new ATOM 0 HA GLU A 37 0.254 11.851 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.279 9.473 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.070 10.984 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.504 10.005 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.130 9.835 4.579 1.00 0.00 H new ATOM 532 N ARG A 38 2.973 11.552 4.660 1.00 0.00 N ATOM 533 CA ARG A 38 3.986 12.290 5.395 1.00 0.00 C ATOM 534 C ARG A 38 4.708 13.269 4.467 1.00 0.00 C ATOM 535 O ARG A 38 4.839 14.450 4.785 1.00 0.00 O ATOM 536 CB ARG A 38 5.010 11.343 6.023 1.00 0.00 C ATOM 537 CG ARG A 38 4.353 10.029 6.450 1.00 0.00 C ATOM 538 CD ARG A 38 4.788 9.631 7.862 1.00 0.00 C ATOM 539 NE ARG A 38 4.636 10.782 8.781 1.00 0.00 N ATOM 540 CZ ARG A 38 3.481 11.130 9.364 1.00 0.00 C ATOM 541 NH1 ARG A 38 2.370 10.419 9.128 1.00 0.00 N ATOM 542 NH2 ARG A 38 3.437 12.189 10.184 1.00 0.00 N ATOM 0 H ARG A 38 3.218 10.584 4.451 1.00 0.00 H new ATOM 0 HA ARG A 38 3.483 12.841 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.808 11.139 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.470 11.821 6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.268 10.133 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.620 9.240 5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.187 8.792 8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.826 9.298 7.852 1.00 0.00 H new ATOM 0 HE ARG A 38 5.462 11.345 8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.403 9.613 8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.491 10.684 9.572 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.283 12.730 10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.558 12.454 10.628 1.00 0.00 H new ATOM 556 N LEU A 39 5.157 12.741 3.338 1.00 0.00 N ATOM 557 CA LEU A 39 5.863 13.553 2.361 1.00 0.00 C ATOM 558 C LEU A 39 4.864 14.469 1.649 1.00 0.00 C ATOM 559 O LEU A 39 5.256 15.318 0.850 1.00 0.00 O ATOM 560 CB LEU A 39 6.671 12.668 1.411 1.00 0.00 C ATOM 561 CG LEU A 39 7.344 11.447 2.042 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.053 10.181 1.233 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.846 11.681 2.220 1.00 0.00 C ATOM 0 H LEU A 39 5.046 11.761 3.078 1.00 0.00 H new ATOM 0 HA LEU A 39 6.591 14.196 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.009 12.323 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.441 13.281 0.942 1.00 0.00 H new ATOM 0 HG LEU A 39 6.921 11.298 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.543 9.328 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.977 10.009 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.431 10.303 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.301 10.799 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.303 11.869 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.006 12.542 2.868 1.00 0.00 H new ATOM 575 N GLY A 40 3.594 14.265 1.964 1.00 0.00 N ATOM 576 CA GLY A 40 2.537 15.061 1.365 1.00 0.00 C ATOM 577 C GLY A 40 2.256 14.608 -0.070 1.00 0.00 C ATOM 578 O GLY A 40 1.771 15.389 -0.887 1.00 0.00 O ATOM 0 H GLY A 40 3.273 13.559 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.629 14.975 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.822 16.113 1.369 1.00 0.00 H new ATOM 582 N TRP A 41 2.571 13.348 -0.331 1.00 0.00 N ATOM 583 CA TRP A 41 2.359 12.782 -1.652 1.00 0.00 C ATOM 584 C TRP A 41 3.307 13.485 -2.626 1.00 0.00 C ATOM 585 O TRP A 41 3.007 13.604 -3.813 1.00 0.00 O ATOM 586 CB TRP A 41 0.890 12.890 -2.065 1.00 0.00 C ATOM 587 CG TRP A 41 -0.059 12.040 -1.217 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.839 12.437 -0.203 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.298 10.623 -1.353 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.560 11.385 0.323 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.221 10.247 -0.399 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.248 9.691 -2.253 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.679 8.932 -0.252 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.220 8.381 -2.093 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.148 7.986 -1.137 1.00 0.00 C ATOM 0 H TRP A 41 2.972 12.703 0.350 1.00 0.00 H new ATOM 0 HA TRP A 41 2.585 11.716 -1.655 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.581 13.933 -2.002 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.794 12.592 -3.109 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.896 13.453 0.158 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.220 11.434 1.099 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.971 9.964 -3.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.403 8.662 0.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.167 7.625 -2.759 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.458 6.953 -1.077 1.00 0.00 H new ATOM 606 N ARG A 42 4.432 13.932 -2.088 1.00 0.00 N ATOM 607 CA ARG A 42 5.426 14.620 -2.894 1.00 0.00 C ATOM 608 C ARG A 42 6.834 14.298 -2.390 1.00 0.00 C ATOM 609 O ARG A 42 7.053 14.177 -1.185 1.00 0.00 O ATOM 610 CB ARG A 42 5.212 16.134 -2.858 1.00 0.00 C ATOM 611 CG ARG A 42 5.363 16.675 -1.435 1.00 0.00 C ATOM 612 CD ARG A 42 5.600 18.187 -1.445 1.00 0.00 C ATOM 613 NE ARG A 42 4.384 18.893 -0.983 1.00 0.00 N ATOM 614 CZ ARG A 42 3.885 18.795 0.257 1.00 0.00 C ATOM 615 NH1 ARG A 42 4.493 18.020 1.165 1.00 0.00 N ATOM 616 NH2 ARG A 42 2.777 19.472 0.588 1.00 0.00 N ATOM 0 H ARG A 42 4.677 13.831 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 42 5.317 14.274 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.932 16.622 -3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.219 16.374 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.466 16.448 -0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.196 16.176 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.442 18.436 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.861 18.516 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 42 3.896 19.491 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.336 17.504 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.113 17.946 2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.314 20.062 -0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.397 19.398 1.532 1.00 0.00 H new ATOM 630 N ILE A 43 7.752 14.168 -3.336 1.00 0.00 N ATOM 631 CA ILE A 43 9.133 13.863 -3.003 1.00 0.00 C ATOM 632 C ILE A 43 10.026 15.027 -3.435 1.00 0.00 C ATOM 633 O ILE A 43 10.263 15.223 -4.626 1.00 0.00 O ATOM 634 CB ILE A 43 9.543 12.516 -3.603 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.705 11.377 -3.018 1.00 0.00 C ATOM 636 CG2 ILE A 43 11.044 12.273 -3.427 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.645 10.191 -3.982 1.00 0.00 C ATOM 0 H ILE A 43 7.566 14.268 -4.334 1.00 0.00 H new ATOM 0 HA ILE A 43 9.251 13.755 -1.925 1.00 0.00 H new ATOM 0 HB ILE A 43 9.344 12.544 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.133 11.057 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.696 11.733 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.310 11.309 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.602 13.064 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.290 12.273 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.044 9.395 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.195 10.509 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.654 9.823 -4.169 1.00 0.00 H new ATOM 649 N GLN A 44 10.498 15.768 -2.444 1.00 0.00 N ATOM 650 CA GLN A 44 11.361 16.908 -2.707 1.00 0.00 C ATOM 651 C GLN A 44 12.818 16.455 -2.819 1.00 0.00 C ATOM 652 O GLN A 44 13.100 15.258 -2.853 1.00 0.00 O ATOM 653 CB GLN A 44 11.200 17.978 -1.626 1.00 0.00 C ATOM 654 CG GLN A 44 9.748 18.449 -1.531 1.00 0.00 C ATOM 655 CD GLN A 44 9.654 19.801 -0.822 1.00 0.00 C ATOM 656 OE1 GLN A 44 10.296 20.771 -1.191 1.00 0.00 O ATOM 657 NE2 GLN A 44 8.822 19.811 0.216 1.00 0.00 N ATOM 0 H GLN A 44 10.300 15.602 -1.457 1.00 0.00 H new ATOM 0 HA GLN A 44 11.065 17.352 -3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.520 17.578 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.847 18.826 -1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.322 18.529 -2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.157 17.709 -0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.315 18.964 0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.691 20.666 0.756 1.00 0.00 H new ATOM 666 N LYS A 45 13.707 17.437 -2.872 1.00 0.00 N ATOM 667 CA LYS A 45 15.128 17.155 -2.979 1.00 0.00 C ATOM 668 C LYS A 45 15.597 16.431 -1.715 1.00 0.00 C ATOM 669 O LYS A 45 16.307 15.431 -1.796 1.00 0.00 O ATOM 670 CB LYS A 45 15.908 18.437 -3.279 1.00 0.00 C ATOM 671 CG LYS A 45 17.404 18.149 -3.419 1.00 0.00 C ATOM 672 CD LYS A 45 18.238 19.251 -2.763 1.00 0.00 C ATOM 673 CE LYS A 45 18.573 18.896 -1.313 1.00 0.00 C ATOM 674 NZ LYS A 45 19.883 19.468 -0.929 1.00 0.00 N ATOM 0 H LYS A 45 13.470 18.429 -2.843 1.00 0.00 H new ATOM 0 HA LYS A 45 15.321 16.488 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.533 18.888 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.747 19.160 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.638 17.189 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.666 18.069 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.159 19.399 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.691 20.193 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.795 19.276 -0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.593 17.813 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.095 19.218 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 20.624 19.086 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.851 20.503 -1.024 1.00 0.00 H new ATOM 688 N HIS A 46 15.180 16.966 -0.577 1.00 0.00 N ATOM 689 CA HIS A 46 15.548 16.384 0.702 1.00 0.00 C ATOM 690 C HIS A 46 14.910 15.000 0.839 1.00 0.00 C ATOM 691 O HIS A 46 15.547 14.063 1.319 1.00 0.00 O ATOM 692 CB HIS A 46 15.180 17.323 1.853 1.00 0.00 C ATOM 693 CG HIS A 46 13.745 17.794 1.826 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.632 17.296 2.437 1.00 0.00 N flip ATOM 695 CD2 HIS A 46 13.333 18.901 1.105 1.00 0.00 C flip ATOM 696 CE1 HIS A 46 11.597 18.059 2.108 1.00 0.00 C flip ATOM 697 NE2 HIS A 46 12.029 19.054 1.282 1.00 0.00 N flip ATOM 0 H HIS A 46 14.591 17.796 -0.514 1.00 0.00 H new ATOM 0 HA HIS A 46 16.629 16.254 0.748 1.00 0.00 H new ATOM 0 HB2 HIS A 46 15.367 16.813 2.798 1.00 0.00 H new ATOM 0 HB3 HIS A 46 15.838 18.192 1.824 1.00 0.00 H new ATOM 0 HD1 HIS A 46 12.600 16.477 3.044 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.967 19.533 0.501 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.579 17.915 2.440 1.00 0.00 H new ATOM 705 N ASP A 47 13.660 14.915 0.408 1.00 0.00 N ATOM 706 CA ASP A 47 12.929 13.661 0.476 1.00 0.00 C ATOM 707 C ASP A 47 13.713 12.577 -0.267 1.00 0.00 C ATOM 708 O ASP A 47 13.574 11.392 0.030 1.00 0.00 O ATOM 709 CB ASP A 47 11.555 13.788 -0.185 1.00 0.00 C ATOM 710 CG ASP A 47 10.521 14.578 0.619 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.957 15.439 1.412 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.318 14.302 0.422 1.00 0.00 O ATOM 0 H ASP A 47 13.135 15.694 0.010 1.00 0.00 H new ATOM 0 HA ASP A 47 12.801 13.402 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.679 14.265 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.163 12.788 -0.369 1.00 0.00 H new ATOM 717 N ASP A 48 14.520 13.023 -1.219 1.00 0.00 N ATOM 718 CA ASP A 48 15.326 12.106 -2.006 1.00 0.00 C ATOM 719 C ASP A 48 16.006 11.101 -1.074 1.00 0.00 C ATOM 720 O ASP A 48 16.254 9.960 -1.460 1.00 0.00 O ATOM 721 CB ASP A 48 16.419 12.853 -2.774 1.00 0.00 C ATOM 722 CG ASP A 48 17.093 12.048 -3.886 1.00 0.00 C ATOM 723 OD1 ASP A 48 16.554 10.968 -4.213 1.00 0.00 O ATOM 724 OD2 ASP A 48 18.133 12.530 -4.385 1.00 0.00 O ATOM 0 H ASP A 48 14.633 14.007 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 48 14.668 11.602 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.985 13.753 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.182 13.177 -2.067 1.00 0.00 H new ATOM 729 N VAL A 49 16.289 11.563 0.136 1.00 0.00 N ATOM 730 CA VAL A 49 16.935 10.719 1.126 1.00 0.00 C ATOM 731 C VAL A 49 15.886 9.828 1.794 1.00 0.00 C ATOM 732 O VAL A 49 16.041 8.609 1.843 1.00 0.00 O ATOM 733 CB VAL A 49 17.709 11.582 2.124 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.489 10.712 3.112 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.639 12.558 1.400 1.00 0.00 C ATOM 0 H VAL A 49 16.083 12.510 0.452 1.00 0.00 H new ATOM 0 HA VAL A 49 17.664 10.062 0.651 1.00 0.00 H new ATOM 0 HB VAL A 49 16.986 12.167 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.030 11.350 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.796 10.077 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.197 10.088 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.177 13.159 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.353 11.999 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.050 13.212 0.756 1.00 0.00 H new ATOM 745 N ALA A 50 14.840 10.472 2.293 1.00 0.00 N ATOM 746 CA ALA A 50 13.765 9.753 2.956 1.00 0.00 C ATOM 747 C ALA A 50 13.305 8.597 2.066 1.00 0.00 C ATOM 748 O ALA A 50 12.958 7.527 2.562 1.00 0.00 O ATOM 749 CB ALA A 50 12.629 10.724 3.285 1.00 0.00 C ATOM 0 H ALA A 50 14.714 11.483 2.251 1.00 0.00 H new ATOM 0 HA ALA A 50 14.112 9.326 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.822 10.185 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.001 11.509 3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.254 11.170 2.364 1.00 0.00 H new ATOM 755 N VAL A 51 13.318 8.852 0.766 1.00 0.00 N ATOM 756 CA VAL A 51 12.907 7.846 -0.198 1.00 0.00 C ATOM 757 C VAL A 51 13.903 6.685 -0.175 1.00 0.00 C ATOM 758 O VAL A 51 13.506 5.521 -0.176 1.00 0.00 O ATOM 759 CB VAL A 51 12.758 8.478 -1.584 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.529 7.408 -2.653 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.633 9.515 -1.596 1.00 0.00 C ATOM 0 H VAL A 51 13.607 9.741 0.358 1.00 0.00 H new ATOM 0 HA VAL A 51 11.930 7.441 0.067 1.00 0.00 H new ATOM 0 HB VAL A 51 13.690 8.992 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.426 7.884 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.377 6.724 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.620 6.853 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.548 9.949 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.692 9.034 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.856 10.302 -0.876 1.00 0.00 H new ATOM 771 N GLU A 52 15.179 7.043 -0.153 1.00 0.00 N ATOM 772 CA GLU A 52 16.235 6.046 -0.129 1.00 0.00 C ATOM 773 C GLU A 52 16.195 5.261 1.184 1.00 0.00 C ATOM 774 O GLU A 52 16.527 4.077 1.214 1.00 0.00 O ATOM 775 CB GLU A 52 17.606 6.693 -0.338 1.00 0.00 C ATOM 776 CG GLU A 52 17.711 7.316 -1.732 1.00 0.00 C ATOM 777 CD GLU A 52 18.467 6.393 -2.689 1.00 0.00 C ATOM 778 OE1 GLU A 52 18.116 5.194 -2.717 1.00 0.00 O ATOM 779 OE2 GLU A 52 19.379 6.907 -3.372 1.00 0.00 O ATOM 0 H GLU A 52 15.505 8.010 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 52 16.068 5.350 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.770 7.459 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.389 5.945 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.713 7.512 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.222 8.276 -1.667 1.00 0.00 H new ATOM 786 N GLN A 53 15.784 5.952 2.237 1.00 0.00 N ATOM 787 CA GLN A 53 15.695 5.334 3.549 1.00 0.00 C ATOM 788 C GLN A 53 14.458 4.438 3.631 1.00 0.00 C ATOM 789 O GLN A 53 14.468 3.423 4.326 1.00 0.00 O ATOM 790 CB GLN A 53 15.679 6.393 4.654 1.00 0.00 C ATOM 791 CG GLN A 53 17.078 6.598 5.238 1.00 0.00 C ATOM 792 CD GLN A 53 17.041 6.589 6.767 1.00 0.00 C ATOM 793 OE1 GLN A 53 16.616 5.636 7.398 1.00 0.00 O ATOM 794 NE2 GLN A 53 17.507 7.703 7.326 1.00 0.00 N ATOM 0 H GLN A 53 15.509 6.934 2.208 1.00 0.00 H new ATOM 0 HA GLN A 53 16.579 4.714 3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.307 7.336 4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.992 6.089 5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.743 5.811 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.488 7.545 4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.848 8.464 6.739 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.523 7.796 8.342 1.00 0.00 H new ATOM 803 N PHE A 54 13.423 4.845 2.912 1.00 0.00 N ATOM 804 CA PHE A 54 12.181 4.091 2.895 1.00 0.00 C ATOM 805 C PHE A 54 12.306 2.848 2.012 1.00 0.00 C ATOM 806 O PHE A 54 11.779 1.788 2.347 1.00 0.00 O ATOM 807 CB PHE A 54 11.107 5.011 2.311 1.00 0.00 C ATOM 808 CG PHE A 54 9.738 4.347 2.153 1.00 0.00 C ATOM 809 CD1 PHE A 54 9.435 3.677 1.008 1.00 0.00 C ATOM 810 CD2 PHE A 54 8.823 4.426 3.156 1.00 0.00 C ATOM 811 CE1 PHE A 54 8.164 3.061 0.861 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.552 3.810 3.009 1.00 0.00 C ATOM 813 CZ PHE A 54 7.249 3.141 1.865 1.00 0.00 C ATOM 0 H PHE A 54 13.419 5.687 2.337 1.00 0.00 H new ATOM 0 HA PHE A 54 11.931 3.763 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.003 5.885 2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.440 5.369 1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.161 3.614 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.063 4.958 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.924 2.529 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.826 3.873 3.806 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.282 2.673 1.753 1.00 0.00 H new ATOM 823 N CYS A 55 13.006 3.019 0.900 1.00 0.00 N ATOM 824 CA CYS A 55 13.208 1.925 -0.034 1.00 0.00 C ATOM 825 C CYS A 55 14.049 0.851 0.659 1.00 0.00 C ATOM 826 O CYS A 55 13.758 -0.339 0.545 1.00 0.00 O ATOM 827 CB CYS A 55 13.853 2.404 -1.336 1.00 0.00 C ATOM 828 SG CYS A 55 14.296 0.967 -2.380 1.00 0.00 S ATOM 0 H CYS A 55 13.441 3.900 0.625 1.00 0.00 H new ATOM 0 HA CYS A 55 12.244 1.503 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.165 3.057 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.744 2.992 -1.115 1.00 0.00 H new ATOM 0 HG CYS A 55 13.440 0.857 -3.353 1.00 0.00 H new ATOM 834 N ALA A 56 15.075 1.309 1.361 1.00 0.00 N ATOM 835 CA ALA A 56 15.960 0.402 2.071 1.00 0.00 C ATOM 836 C ALA A 56 15.125 -0.552 2.927 1.00 0.00 C ATOM 837 O ALA A 56 15.572 -1.650 3.254 1.00 0.00 O ATOM 838 CB ALA A 56 16.958 1.210 2.903 1.00 0.00 C ATOM 0 H ALA A 56 15.313 2.297 1.453 1.00 0.00 H new ATOM 0 HA ALA A 56 16.535 -0.202 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.622 0.530 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.546 1.850 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.418 1.827 3.621 1.00 0.00 H new ATOM 844 N GLU A 57 13.927 -0.098 3.266 1.00 0.00 N ATOM 845 CA GLU A 57 13.026 -0.898 4.078 1.00 0.00 C ATOM 846 C GLU A 57 12.059 -1.678 3.185 1.00 0.00 C ATOM 847 O GLU A 57 12.157 -2.900 3.077 1.00 0.00 O ATOM 848 CB GLU A 57 12.265 -0.023 5.077 1.00 0.00 C ATOM 849 CG GLU A 57 12.534 -0.473 6.514 1.00 0.00 C ATOM 850 CD GLU A 57 11.359 -0.118 7.428 1.00 0.00 C ATOM 851 OE1 GLU A 57 10.975 1.072 7.422 1.00 0.00 O ATOM 852 OE2 GLU A 57 10.872 -1.044 8.112 1.00 0.00 O ATOM 0 H GLU A 57 13.560 0.814 2.993 1.00 0.00 H new ATOM 0 HA GLU A 57 13.620 -1.612 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.564 1.018 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.196 -0.074 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.704 -1.549 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.443 0.001 6.883 1.00 0.00 H new ATOM 859 N THR A 58 11.147 -0.941 2.569 1.00 0.00 N ATOM 860 CA THR A 58 10.163 -1.549 1.689 1.00 0.00 C ATOM 861 C THR A 58 10.846 -2.147 0.458 1.00 0.00 C ATOM 862 O THR A 58 10.683 -3.331 0.166 1.00 0.00 O ATOM 863 CB THR A 58 9.115 -0.488 1.347 1.00 0.00 C ATOM 864 OG1 THR A 58 9.884 0.665 1.013 1.00 0.00 O ATOM 865 CG2 THR A 58 8.302 -0.053 2.568 1.00 0.00 C ATOM 0 H THR A 58 11.068 0.072 2.662 1.00 0.00 H new ATOM 0 HA THR A 58 9.656 -2.381 2.177 1.00 0.00 H new ATOM 0 HB THR A 58 8.442 -0.876 0.582 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.425 1.469 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.573 0.701 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.782 -0.916 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.971 0.366 3.320 1.00 0.00 H new ATOM 873 N GLY A 59 11.597 -1.301 -0.233 1.00 0.00 N ATOM 874 CA GLY A 59 12.305 -1.732 -1.426 1.00 0.00 C ATOM 875 C GLY A 59 11.684 -1.120 -2.683 1.00 0.00 C ATOM 876 O GLY A 59 12.042 -1.490 -3.800 1.00 0.00 O ATOM 0 H GLY A 59 11.730 -0.320 0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.353 -1.442 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.279 -2.819 -1.496 1.00 0.00 H new ATOM 880 N VAL A 60 10.764 -0.193 -2.459 1.00 0.00 N ATOM 881 CA VAL A 60 10.089 0.474 -3.559 1.00 0.00 C ATOM 882 C VAL A 60 11.065 1.433 -4.244 1.00 0.00 C ATOM 883 O VAL A 60 11.880 2.073 -3.581 1.00 0.00 O ATOM 884 CB VAL A 60 8.824 1.169 -3.053 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.092 1.876 -4.196 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.901 0.178 -2.342 1.00 0.00 C ATOM 0 H VAL A 60 10.470 0.112 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 60 9.768 -0.252 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 60 9.125 1.926 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.196 2.362 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.748 2.625 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.810 1.146 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.009 0.698 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.612 -0.612 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.423 -0.259 -1.491 1.00 0.00 H new ATOM 896 N ARG A 61 10.951 1.502 -5.562 1.00 0.00 N ATOM 897 CA ARG A 61 11.813 2.372 -6.344 1.00 0.00 C ATOM 898 C ARG A 61 11.258 3.797 -6.356 1.00 0.00 C ATOM 899 O ARG A 61 10.063 4.001 -6.567 1.00 0.00 O ATOM 900 CB ARG A 61 11.942 1.870 -7.784 1.00 0.00 C ATOM 901 CG ARG A 61 12.212 0.364 -7.817 1.00 0.00 C ATOM 902 CD ARG A 61 13.713 0.078 -7.882 1.00 0.00 C ATOM 903 NE ARG A 61 13.944 -1.367 -8.102 1.00 0.00 N ATOM 904 CZ ARG A 61 15.156 -1.937 -8.143 1.00 0.00 C ATOM 905 NH1 ARG A 61 16.254 -1.187 -7.980 1.00 0.00 N ATOM 906 NH2 ARG A 61 15.270 -3.257 -8.347 1.00 0.00 N ATOM 0 H ARG A 61 10.274 0.969 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 61 12.799 2.366 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.027 2.091 -8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.752 2.399 -8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.787 -0.105 -6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.716 -0.079 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.167 0.654 -8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.192 0.394 -6.956 1.00 0.00 H new ATOM 0 HE ARG A 61 13.129 -1.967 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.167 -0.183 -7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.177 -1.620 -8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.434 -3.828 -8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.193 -3.690 -8.378 1.00 0.00 H new ATOM 920 N ARG A 62 12.151 4.748 -6.126 1.00 0.00 N ATOM 921 CA ARG A 62 11.766 6.149 -6.107 1.00 0.00 C ATOM 922 C ARG A 62 10.739 6.431 -7.205 1.00 0.00 C ATOM 923 O ARG A 62 9.708 7.053 -6.951 1.00 0.00 O ATOM 924 CB ARG A 62 12.980 7.057 -6.309 1.00 0.00 C ATOM 925 CG ARG A 62 12.566 8.530 -6.332 1.00 0.00 C ATOM 926 CD ARG A 62 13.545 9.362 -7.163 1.00 0.00 C ATOM 927 NE ARG A 62 12.803 10.180 -8.149 1.00 0.00 N ATOM 928 CZ ARG A 62 13.371 10.788 -9.199 1.00 0.00 C ATOM 929 NH1 ARG A 62 14.690 10.674 -9.407 1.00 0.00 N ATOM 930 NH2 ARG A 62 12.620 11.510 -10.042 1.00 0.00 N ATOM 0 H ARG A 62 13.141 4.576 -5.951 1.00 0.00 H new ATOM 0 HA ARG A 62 11.328 6.359 -5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.700 6.891 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.478 6.801 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.562 8.623 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.528 8.917 -5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.132 10.008 -6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.247 8.706 -7.677 1.00 0.00 H new ATOM 0 HE ARG A 62 11.797 10.287 -8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.262 10.124 -8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.122 11.137 -10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.616 11.597 -9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.052 11.973 -10.841 1.00 0.00 H new ATOM 944 N GLN A 63 11.055 5.961 -8.403 1.00 0.00 N ATOM 945 CA GLN A 63 10.173 6.155 -9.541 1.00 0.00 C ATOM 946 C GLN A 63 8.838 5.446 -9.304 1.00 0.00 C ATOM 947 O GLN A 63 7.778 5.995 -9.602 1.00 0.00 O ATOM 948 CB GLN A 63 10.830 5.668 -10.834 1.00 0.00 C ATOM 949 CG GLN A 63 10.554 4.181 -11.063 1.00 0.00 C ATOM 950 CD GLN A 63 11.220 3.692 -12.351 1.00 0.00 C ATOM 951 OE1 GLN A 63 11.056 4.258 -13.419 1.00 0.00 O ATOM 952 NE2 GLN A 63 11.980 2.612 -12.190 1.00 0.00 N ATOM 0 H GLN A 63 11.911 5.446 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 63 9.982 7.223 -9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.453 6.246 -11.678 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.905 5.839 -10.786 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.925 3.604 -10.216 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.479 4.011 -11.118 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.074 2.188 -11.267 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.469 2.209 -12.989 1.00 0.00 H new ATOM 961 N VAL A 64 8.933 4.237 -8.769 1.00 0.00 N ATOM 962 CA VAL A 64 7.745 3.448 -8.489 1.00 0.00 C ATOM 963 C VAL A 64 6.953 4.110 -7.360 1.00 0.00 C ATOM 964 O VAL A 64 5.740 4.283 -7.468 1.00 0.00 O ATOM 965 CB VAL A 64 8.140 2.003 -8.175 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.905 1.150 -7.879 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.963 1.400 -9.315 1.00 0.00 C ATOM 0 H VAL A 64 9.814 3.785 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 64 7.095 3.411 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 64 8.763 2.012 -7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.213 0.128 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.375 1.562 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.245 1.151 -8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.231 0.373 -9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.375 1.410 -10.233 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.870 1.987 -9.459 1.00 0.00 H new ATOM 977 N LEU A 65 7.670 4.462 -6.304 1.00 0.00 N ATOM 978 CA LEU A 65 7.049 5.101 -5.156 1.00 0.00 C ATOM 979 C LEU A 65 6.398 6.413 -5.599 1.00 0.00 C ATOM 980 O LEU A 65 5.258 6.697 -5.237 1.00 0.00 O ATOM 981 CB LEU A 65 8.063 5.269 -4.023 1.00 0.00 C ATOM 982 CG LEU A 65 7.511 5.126 -2.603 1.00 0.00 C ATOM 983 CD1 LEU A 65 8.636 5.191 -1.568 1.00 0.00 C ATOM 984 CD2 LEU A 65 6.422 6.166 -2.331 1.00 0.00 C ATOM 0 H LEU A 65 8.676 4.317 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 65 6.256 4.472 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.856 4.533 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.522 6.253 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 65 7.048 4.143 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.216 5.087 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.345 4.383 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.149 6.149 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.047 6.043 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.838 7.167 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.604 6.030 -3.039 1.00 0.00 H new ATOM 996 N LYS A 66 7.152 7.177 -6.376 1.00 0.00 N ATOM 997 CA LYS A 66 6.662 8.452 -6.872 1.00 0.00 C ATOM 998 C LYS A 66 5.430 8.215 -7.747 1.00 0.00 C ATOM 999 O LYS A 66 4.366 8.779 -7.493 1.00 0.00 O ATOM 1000 CB LYS A 66 7.782 9.217 -7.581 1.00 0.00 C ATOM 1001 CG LYS A 66 7.351 10.650 -7.898 1.00 0.00 C ATOM 1002 CD LYS A 66 7.074 10.821 -9.393 1.00 0.00 C ATOM 1003 CE LYS A 66 8.235 11.537 -10.087 1.00 0.00 C ATOM 1004 NZ LYS A 66 7.724 12.535 -11.054 1.00 0.00 N ATOM 0 H LYS A 66 8.098 6.938 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 66 6.348 9.087 -6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.672 9.232 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.052 8.702 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.456 10.899 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.131 11.345 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.918 9.845 -9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.155 11.390 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.863 12.030 -9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.862 10.810 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.524 13.012 -11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.144 12.057 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.144 13.238 -10.553 1.00 0.00 H new ATOM 1018 N ILE A 67 5.614 7.380 -8.759 1.00 0.00 N ATOM 1019 CA ILE A 67 4.530 7.062 -9.673 1.00 0.00 C ATOM 1020 C ILE A 67 3.378 6.429 -8.890 1.00 0.00 C ATOM 1021 O ILE A 67 2.219 6.533 -9.291 1.00 0.00 O ATOM 1022 CB ILE A 67 5.039 6.194 -10.826 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.204 6.873 -11.550 1.00 0.00 C ATOM 1024 CG2 ILE A 67 3.902 5.832 -11.783 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.175 5.836 -12.117 1.00 0.00 C ATOM 0 H ILE A 67 6.497 6.914 -8.966 1.00 0.00 H new ATOM 0 HA ILE A 67 4.142 7.970 -10.135 1.00 0.00 H new ATOM 0 HB ILE A 67 5.418 5.261 -10.410 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.821 7.498 -12.357 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.732 7.532 -10.860 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.291 5.215 -12.593 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.134 5.279 -11.243 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.470 6.743 -12.196 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.994 6.344 -12.626 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.574 5.229 -11.304 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.650 5.195 -12.825 1.00 0.00 H new ATOM 1037 N TRP A 68 3.735 5.788 -7.787 1.00 0.00 N ATOM 1038 CA TRP A 68 2.745 5.139 -6.944 1.00 0.00 C ATOM 1039 C TRP A 68 1.947 6.229 -6.227 1.00 0.00 C ATOM 1040 O TRP A 68 0.727 6.131 -6.103 1.00 0.00 O ATOM 1041 CB TRP A 68 3.408 4.151 -5.982 1.00 0.00 C ATOM 1042 CG TRP A 68 2.443 3.522 -4.975 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.917 2.290 -4.995 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.907 4.149 -3.790 1.00 0.00 C ATOM 1045 NE1 TRP A 68 1.085 2.077 -3.915 1.00 0.00 N ATOM 1046 CE2 TRP A 68 1.079 3.243 -3.159 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.116 5.438 -3.269 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.393 3.530 -1.972 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.423 5.709 -2.083 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.586 4.808 -1.435 1.00 0.00 C ATOM 0 H TRP A 68 4.697 5.704 -7.457 1.00 0.00 H new ATOM 0 HA TRP A 68 2.057 4.543 -7.544 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.881 3.358 -6.561 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.201 4.665 -5.438 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.119 1.556 -5.761 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.569 1.221 -3.709 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.760 6.162 -3.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.250 2.804 -1.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.547 6.686 -1.641 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.087 5.093 -0.521 1.00 0.00 H new ATOM 1061 N MET A 69 2.668 7.244 -5.772 1.00 0.00 N ATOM 1062 CA MET A 69 2.043 8.351 -5.070 1.00 0.00 C ATOM 1063 C MET A 69 1.163 9.173 -6.015 1.00 0.00 C ATOM 1064 O MET A 69 0.032 9.516 -5.675 1.00 0.00 O ATOM 1065 CB MET A 69 3.125 9.251 -4.469 1.00 0.00 C ATOM 1066 CG MET A 69 3.785 8.582 -3.261 1.00 0.00 C ATOM 1067 SD MET A 69 4.271 9.818 -2.069 1.00 0.00 S ATOM 1068 CE MET A 69 6.011 9.947 -2.448 1.00 0.00 C ATOM 0 H MET A 69 3.680 7.322 -5.876 1.00 0.00 H new ATOM 0 HA MET A 69 1.414 7.945 -4.278 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.879 9.473 -5.224 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.686 10.202 -4.168 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.093 7.875 -2.803 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.657 8.012 -3.582 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.413 10.859 -2.007 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.537 9.084 -2.040 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.147 9.977 -3.529 1.00 0.00 H new ATOM 1078 N HIS A 70 1.716 9.464 -7.183 1.00 0.00 N ATOM 1079 CA HIS A 70 0.996 10.239 -8.180 1.00 0.00 C ATOM 1080 C HIS A 70 -0.242 9.464 -8.635 1.00 0.00 C ATOM 1081 O HIS A 70 -1.301 10.051 -8.854 1.00 0.00 O ATOM 1082 CB HIS A 70 1.916 10.621 -9.340 1.00 0.00 C ATOM 1083 CG HIS A 70 1.318 11.628 -10.293 1.00 0.00 C ATOM 1084 ND1 HIS A 70 1.401 12.994 -10.090 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.627 11.453 -11.456 1.00 0.00 C ATOM 1086 CE1 HIS A 70 0.784 13.604 -11.091 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.305 12.647 -11.937 1.00 0.00 N ATOM 0 H HIS A 70 2.654 9.177 -7.462 1.00 0.00 H new ATOM 0 HA HIS A 70 0.655 11.176 -7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.844 11.025 -8.936 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.176 9.720 -9.896 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.383 10.503 -11.909 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.679 14.672 -11.215 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.215 12.821 -12.797 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.068 8.157 -8.765 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.158 7.295 -9.191 1.00 0.00 C ATOM 1097 C ASN A 71 -2.261 7.314 -8.130 1.00 0.00 C ATOM 1098 O ASN A 71 -3.431 7.095 -8.442 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.686 5.850 -9.356 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.306 5.560 -10.810 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -0.877 4.706 -11.469 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.687 6.316 -11.270 1.00 0.00 N ATOM 0 H ASN A 71 0.812 7.674 -8.583 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.526 7.665 -10.148 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.172 5.668 -8.709 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.475 5.168 -9.039 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.015 6.199 -12.229 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.121 7.012 -10.664 1.00 0.00 H new ATOM 1109 N ASN A 72 -1.850 7.577 -6.899 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.788 7.627 -5.791 1.00 0.00 C ATOM 1111 C ASN A 72 -3.388 9.032 -5.699 1.00 0.00 C ATOM 1112 O ASN A 72 -4.607 9.192 -5.720 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.090 7.324 -4.463 1.00 0.00 C ATOM 1114 CG ASN A 72 -2.087 5.821 -4.176 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -3.055 5.252 -3.701 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.947 5.213 -4.491 1.00 0.00 N ATOM 0 H ASN A 72 -0.879 7.758 -6.644 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.561 6.880 -5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.065 7.694 -4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.595 7.851 -3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.845 4.210 -4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.175 5.750 -4.886 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.504 10.013 -5.599 1.00 0.00 N ATOM 1124 CA LYS A 73 -2.931 11.399 -5.504 1.00 0.00 C ATOM 1125 C LYS A 73 -3.982 11.678 -6.580 1.00 0.00 C ATOM 1126 O LYS A 73 -4.962 12.379 -6.328 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.724 12.337 -5.566 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.438 12.769 -7.005 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.133 13.563 -7.090 1.00 0.00 C ATOM 1130 CE LYS A 73 -0.351 15.021 -6.681 1.00 0.00 C ATOM 1131 NZ LYS A 73 0.733 15.877 -7.214 1.00 0.00 N ATOM 0 H LYS A 73 -1.493 9.876 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.403 11.587 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.910 13.216 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.849 11.837 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.376 11.890 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.263 13.377 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.617 13.108 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.257 13.521 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.314 15.369 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.383 15.099 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.569 16.863 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.647 15.554 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.745 15.816 -8.252 1.00 0.00 H new ATOM 1145 N ASN A 74 -3.744 11.117 -7.756 1.00 0.00 N ATOM 1146 CA ASN A 74 -4.658 11.297 -8.871 1.00 0.00 C ATOM 1147 C ASN A 74 -4.873 9.954 -9.571 1.00 0.00 C ATOM 1148 O ASN A 74 -3.918 9.331 -10.033 1.00 0.00 O ATOM 1149 CB ASN A 74 -4.089 12.280 -9.896 1.00 0.00 C ATOM 1150 CG ASN A 74 -5.011 13.489 -10.068 1.00 0.00 C ATOM 1151 OD1 ASN A 74 -6.000 13.452 -10.781 1.00 0.00 O ATOM 1152 ND2 ASN A 74 -4.632 14.560 -9.376 1.00 0.00 N ATOM 0 H ASN A 74 -2.931 10.537 -7.961 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.596 11.689 -8.478 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.102 12.614 -9.576 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.960 11.777 -10.855 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.181 15.418 -9.423 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.792 14.523 -8.798 1.00 0.00 H new ATOM 1159 N SER A 75 -6.132 9.547 -9.628 1.00 0.00 N ATOM 1160 CA SER A 75 -6.484 8.289 -10.264 1.00 0.00 C ATOM 1161 C SER A 75 -6.804 8.522 -11.742 1.00 0.00 C ATOM 1162 O SER A 75 -6.021 8.151 -12.616 1.00 0.00 O ATOM 1163 CB SER A 75 -7.673 7.630 -9.561 1.00 0.00 C ATOM 1164 OG SER A 75 -7.362 6.317 -9.104 1.00 0.00 O ATOM 0 H SER A 75 -6.922 10.066 -9.244 1.00 0.00 H new ATOM 0 HA SER A 75 -5.631 7.615 -10.185 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.980 8.245 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.519 7.584 -10.246 1.00 0.00 H new ATOM 0 HG SER A 75 -8.146 5.931 -8.660 1.00 0.00 H new ATOM 1170 N GLY A 76 -7.955 9.134 -11.977 1.00 0.00 N ATOM 1171 CA GLY A 76 -8.387 9.420 -13.334 1.00 0.00 C ATOM 1172 C GLY A 76 -7.201 9.819 -14.215 1.00 0.00 C ATOM 1173 O GLY A 76 -6.447 10.728 -13.872 1.00 0.00 O ATOM 0 H GLY A 76 -8.602 9.440 -11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.879 8.543 -13.755 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.123 10.224 -13.323 1.00 0.00 H new ATOM 1177 N PRO A 77 -7.070 9.100 -15.362 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.989 9.369 -16.294 1.00 0.00 C ATOM 1179 C PRO A 77 -6.255 10.651 -17.087 1.00 0.00 C ATOM 1180 O PRO A 77 -5.401 11.534 -17.150 1.00 0.00 O ATOM 1181 CB PRO A 77 -5.911 8.132 -17.174 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.242 7.418 -17.008 1.00 0.00 C ATOM 1183 CD PRO A 77 -7.945 8.016 -15.800 1.00 0.00 C ATOM 0 HA PRO A 77 -5.037 9.546 -15.794 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.741 8.404 -18.216 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.083 7.490 -16.873 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.853 7.537 -17.903 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.086 6.348 -16.868 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.936 8.388 -16.062 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.081 7.274 -15.013 1.00 0.00 H new ATOM 1191 N SER A 78 -7.443 10.712 -17.671 1.00 0.00 N ATOM 1192 CA SER A 78 -7.832 11.871 -18.456 1.00 0.00 C ATOM 1193 C SER A 78 -6.920 12.005 -19.677 1.00 0.00 C ATOM 1194 O SER A 78 -5.918 11.300 -19.789 1.00 0.00 O ATOM 1195 CB SER A 78 -7.784 13.148 -17.615 1.00 0.00 C ATOM 1196 OG SER A 78 -8.196 14.292 -18.358 1.00 0.00 O ATOM 0 H SER A 78 -8.149 9.978 -17.616 1.00 0.00 H new ATOM 0 HA SER A 78 -8.859 11.728 -18.791 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.427 13.032 -16.742 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.770 13.301 -17.246 1.00 0.00 H new ATOM 0 HG SER A 78 -8.153 15.086 -17.786 1.00 0.00 H new ATOM 1202 N SER A 79 -7.299 12.915 -20.562 1.00 0.00 N ATOM 1203 CA SER A 79 -6.528 13.151 -21.771 1.00 0.00 C ATOM 1204 C SER A 79 -6.943 14.480 -22.405 1.00 0.00 C ATOM 1205 O SER A 79 -6.395 15.530 -22.070 1.00 0.00 O ATOM 1206 CB SER A 79 -6.707 12.007 -22.770 1.00 0.00 C ATOM 1207 OG SER A 79 -7.885 11.250 -22.509 1.00 0.00 O ATOM 0 H SER A 79 -8.130 13.498 -20.466 1.00 0.00 H new ATOM 0 HA SER A 79 -5.473 13.199 -21.500 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.753 12.412 -23.781 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.838 11.351 -22.729 1.00 0.00 H new ATOM 0 HG SER A 79 -7.964 10.530 -23.169 1.00 0.00 H new ATOM 1213 N GLY A 80 -7.907 14.392 -23.310 1.00 0.00 N ATOM 1214 CA GLY A 80 -8.401 15.575 -23.994 1.00 0.00 C ATOM 1215 C GLY A 80 -9.201 16.465 -23.041 1.00 0.00 C ATOM 1216 O GLY A 80 -8.879 17.639 -22.865 1.00 0.00 O ATOM 0 H GLY A 80 -8.359 13.520 -23.585 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.563 16.138 -24.406 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.029 15.278 -24.834 1.00 0.00 H new TER 1220 GLY A 80