USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 766 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 89 HIS : no HD1:sc= -4.77! K(o=-5.5!,f=-6.3) USER MOD Set 1.2: A 93 SER OG : rot -104:sc= -0.717 USER MOD Set 2.1: A 62 MET CE :methyl 140:sc= -1.21 (180deg=-3.08!) USER MOD Set 2.2: A 68 CYS SG : rot 150:sc= 0 USER MOD Set 3.1: A 49 SER OG : rot -150:sc= 0.648 USER MOD Set 3.2: A 51 SER OG : rot -54:sc= -0.0401! USER MOD Set 4.1: A 40 SER OG : rot 115:sc= -1.03 USER MOD Set 4.2: A 67 HIS : no HD1:sc= -0.858 K(o=-1.9,f=-7.7!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0792 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 22:sc= 0.0161 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 14:sc= 0.32 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 37:sc= 0.837 USER MOD Single : A 17 SER OG : rot 24:sc= 0.865 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0849 USER MOD Single : A 29 CYS SG : rot 8:sc= 0.013 USER MOD Single : A 32 ASN : amide:sc= -0.0409 X(o=-0.041,f=-0.54) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0261) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0449 USER MOD Single : A 43 MET CE :methyl -104:sc= -5.29! (180deg=-6.22!) USER MOD Single : A 44 SER OG : rot -1:sc= 0.439! USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.684 F(o=-1.2,f=-0.68) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 55 THR OG1 : rot -66:sc= 0.155 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc=-0.00598 (180deg=-0.126) USER MOD Single : A 65 ASN : amide:sc= -3.97! C(o=-4!,f=-9.5!) USER MOD Single : A 66 SER OG : rot 61:sc= 1.25 USER MOD Single : A 74 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -6.35! C(o=-6.4!,f=-9.2!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc=-0.00373 K(o=-0.0037,f=-0.66) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.648 9.419 26.376 1.00 0.00 N ATOM 2 CA GLY A 1 16.908 8.963 26.933 1.00 0.00 C ATOM 3 C GLY A 1 17.835 8.392 25.879 1.00 0.00 C ATOM 4 O GLY A 1 17.455 8.256 24.716 1.00 0.00 O ATOM 0 H1 GLY A 1 15.532 10.435 26.566 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.643 9.256 25.349 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.865 8.894 26.814 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.402 9.795 27.435 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.713 8.204 27.691 1.00 0.00 H new ATOM 8 N SER A 2 19.056 8.057 26.285 1.00 0.00 N ATOM 9 CA SER A 2 20.042 7.502 25.365 1.00 0.00 C ATOM 10 C SER A 2 20.950 6.505 26.079 1.00 0.00 C ATOM 11 O SER A 2 21.395 6.747 27.201 1.00 0.00 O ATOM 12 CB SER A 2 20.881 8.622 24.747 1.00 0.00 C ATOM 13 OG SER A 2 20.075 9.499 23.979 1.00 0.00 O ATOM 0 H SER A 2 19.386 8.160 27.245 1.00 0.00 H new ATOM 0 HA SER A 2 19.509 6.978 24.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.383 9.182 25.536 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.659 8.192 24.116 1.00 0.00 H new ATOM 0 HG SER A 2 20.635 10.207 23.596 1.00 0.00 H new ATOM 19 N SER A 3 21.221 5.383 25.419 1.00 0.00 N ATOM 20 CA SER A 3 22.073 4.347 25.991 1.00 0.00 C ATOM 21 C SER A 3 22.945 3.707 24.916 1.00 0.00 C ATOM 22 O SER A 3 22.555 3.624 23.752 1.00 0.00 O ATOM 23 CB SER A 3 21.220 3.277 26.676 1.00 0.00 C ATOM 24 OG SER A 3 20.893 3.657 28.001 1.00 0.00 O ATOM 0 H SER A 3 20.863 5.169 24.488 1.00 0.00 H new ATOM 0 HA SER A 3 22.723 4.813 26.732 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.306 3.115 26.105 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.760 2.330 26.689 1.00 0.00 H new ATOM 0 HG SER A 3 20.960 4.631 28.088 1.00 0.00 H new ATOM 30 N GLY A 4 24.131 3.256 25.316 1.00 0.00 N ATOM 31 CA GLY A 4 25.041 2.629 24.375 1.00 0.00 C ATOM 32 C GLY A 4 25.969 1.634 25.043 1.00 0.00 C ATOM 33 O GLY A 4 26.396 1.838 26.180 1.00 0.00 O ATOM 0 H GLY A 4 24.477 3.314 26.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.466 2.122 23.601 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.634 3.398 23.879 1.00 0.00 H new ATOM 37 N SER A 5 26.282 0.552 24.337 1.00 0.00 N ATOM 38 CA SER A 5 27.161 -0.482 24.870 1.00 0.00 C ATOM 39 C SER A 5 27.457 -1.542 23.813 1.00 0.00 C ATOM 40 O SER A 5 26.869 -1.537 22.732 1.00 0.00 O ATOM 41 CB SER A 5 26.527 -1.135 26.100 1.00 0.00 C ATOM 42 OG SER A 5 27.520 -1.589 27.004 1.00 0.00 O ATOM 0 H SER A 5 25.940 0.369 23.394 1.00 0.00 H new ATOM 0 HA SER A 5 28.100 -0.012 25.160 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.875 -0.419 26.600 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.902 -1.973 25.790 1.00 0.00 H new ATOM 0 HG SER A 5 27.090 -2.001 27.782 1.00 0.00 H new ATOM 48 N SER A 6 28.372 -2.450 24.135 1.00 0.00 N ATOM 49 CA SER A 6 28.750 -3.515 23.213 1.00 0.00 C ATOM 50 C SER A 6 27.633 -4.547 23.088 1.00 0.00 C ATOM 51 O SER A 6 27.122 -5.050 24.088 1.00 0.00 O ATOM 52 CB SER A 6 30.037 -4.194 23.685 1.00 0.00 C ATOM 53 OG SER A 6 29.814 -4.943 24.867 1.00 0.00 O ATOM 0 H SER A 6 28.866 -2.470 25.027 1.00 0.00 H new ATOM 0 HA SER A 6 28.921 -3.070 22.233 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.415 -4.850 22.901 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.804 -3.441 23.867 1.00 0.00 H new ATOM 0 HG SER A 6 28.850 -5.056 25.006 1.00 0.00 H new ATOM 59 N GLY A 7 27.259 -4.857 21.850 1.00 0.00 N ATOM 60 CA GLY A 7 26.205 -5.827 21.615 1.00 0.00 C ATOM 61 C GLY A 7 25.673 -5.773 20.197 1.00 0.00 C ATOM 62 O GLY A 7 26.236 -5.090 19.341 1.00 0.00 O ATOM 0 H GLY A 7 27.667 -4.454 21.006 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.585 -6.828 21.819 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.388 -5.647 22.313 1.00 0.00 H new ATOM 66 N ARG A 8 24.587 -6.496 19.946 1.00 0.00 N ATOM 67 CA ARG A 8 23.981 -6.530 18.620 1.00 0.00 C ATOM 68 C ARG A 8 23.442 -5.156 18.234 1.00 0.00 C ATOM 69 O ARG A 8 23.162 -4.323 19.095 1.00 0.00 O ATOM 70 CB ARG A 8 22.853 -7.563 18.578 1.00 0.00 C ATOM 71 CG ARG A 8 23.335 -8.980 18.313 1.00 0.00 C ATOM 72 CD ARG A 8 22.309 -10.010 18.760 1.00 0.00 C ATOM 73 NE ARG A 8 21.300 -10.259 17.734 1.00 0.00 N ATOM 74 CZ ARG A 8 21.529 -10.970 16.636 1.00 0.00 C ATOM 75 NH1 ARG A 8 22.725 -11.501 16.423 1.00 0.00 N ATOM 76 NH2 ARG A 8 20.560 -11.153 15.748 1.00 0.00 N ATOM 0 H ARG A 8 24.108 -7.066 20.643 1.00 0.00 H new ATOM 0 HA ARG A 8 24.751 -6.814 17.903 1.00 0.00 H new ATOM 0 HB2 ARG A 8 22.317 -7.542 19.527 1.00 0.00 H new ATOM 0 HB3 ARG A 8 22.141 -7.280 17.803 1.00 0.00 H new ATOM 0 HG2 ARG A 8 23.537 -9.104 17.249 1.00 0.00 H new ATOM 0 HG3 ARG A 8 24.275 -9.150 18.838 1.00 0.00 H new ATOM 0 HD2 ARG A 8 22.816 -10.944 19.004 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.821 -9.664 19.671 1.00 0.00 H new ATOM 0 HE ARG A 8 20.369 -9.865 17.868 1.00 0.00 H new ATOM 0 HH11 ARG A 8 23.472 -11.364 17.103 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.898 -12.047 15.579 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.638 -10.747 15.908 1.00 0.00 H new ATOM 0 HH22 ARG A 8 20.737 -11.699 14.905 1.00 0.00 H new ATOM 90 N VAL A 9 23.298 -4.927 16.932 1.00 0.00 N ATOM 91 CA VAL A 9 22.792 -3.655 16.431 1.00 0.00 C ATOM 92 C VAL A 9 22.180 -3.815 15.044 1.00 0.00 C ATOM 93 O VAL A 9 22.691 -4.563 14.210 1.00 0.00 O ATOM 94 CB VAL A 9 23.906 -2.593 16.369 1.00 0.00 C ATOM 95 CG1 VAL A 9 25.175 -3.184 15.774 1.00 0.00 C ATOM 96 CG2 VAL A 9 23.445 -1.384 15.569 1.00 0.00 C ATOM 0 H VAL A 9 23.525 -5.606 16.206 1.00 0.00 H new ATOM 0 HA VAL A 9 22.023 -3.324 17.128 1.00 0.00 H new ATOM 0 HB VAL A 9 24.128 -2.265 17.384 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.951 -2.419 15.738 1.00 0.00 H new ATOM 0 HG12 VAL A 9 25.514 -4.016 16.392 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.971 -3.542 14.765 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.244 -0.644 15.535 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.194 -1.693 14.554 1.00 0.00 H new ATOM 0 HG23 VAL A 9 22.566 -0.948 16.043 1.00 0.00 H new ATOM 106 N LYS A 10 21.082 -3.107 14.802 1.00 0.00 N ATOM 107 CA LYS A 10 20.400 -3.168 13.515 1.00 0.00 C ATOM 108 C LYS A 10 20.498 -1.833 12.783 1.00 0.00 C ATOM 109 O LYS A 10 21.011 -0.855 13.326 1.00 0.00 O ATOM 110 CB LYS A 10 18.930 -3.546 13.712 1.00 0.00 C ATOM 111 CG LYS A 10 18.729 -4.966 14.212 1.00 0.00 C ATOM 112 CD LYS A 10 18.908 -5.057 15.719 1.00 0.00 C ATOM 113 CE LYS A 10 19.391 -6.436 16.140 1.00 0.00 C ATOM 114 NZ LYS A 10 18.259 -7.379 16.353 1.00 0.00 N ATOM 0 H LYS A 10 20.645 -2.484 15.481 1.00 0.00 H new ATOM 0 HA LYS A 10 20.888 -3.931 12.909 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.477 -2.853 14.421 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.402 -3.425 12.766 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.731 -5.310 13.942 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.439 -5.630 13.719 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.624 -4.304 16.048 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.962 -4.835 16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.058 -6.836 15.376 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.972 -6.353 17.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.630 -8.308 16.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.636 -7.010 17.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.719 -7.479 15.470 1.00 0.00 H new ATOM 128 N GLU A 11 20.004 -1.802 11.550 1.00 0.00 N ATOM 129 CA GLU A 11 20.036 -0.586 10.745 1.00 0.00 C ATOM 130 C GLU A 11 18.633 -0.200 10.285 1.00 0.00 C ATOM 131 O GLU A 11 17.696 -0.991 10.387 1.00 0.00 O ATOM 132 CB GLU A 11 20.949 -0.776 9.532 1.00 0.00 C ATOM 133 CG GLU A 11 22.414 -0.953 9.894 1.00 0.00 C ATOM 134 CD GLU A 11 23.091 0.358 10.245 1.00 0.00 C ATOM 135 OE1 GLU A 11 22.630 1.412 9.760 1.00 0.00 O ATOM 136 OE2 GLU A 11 24.082 0.328 11.004 1.00 0.00 O ATOM 0 H GLU A 11 19.577 -2.604 11.086 1.00 0.00 H new ATOM 0 HA GLU A 11 20.430 0.220 11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.615 -1.648 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.848 0.087 8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.496 -1.637 10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.938 -1.415 9.057 1.00 0.00 H new ATOM 143 N SER A 12 18.498 1.021 9.778 1.00 0.00 N ATOM 144 CA SER A 12 17.210 1.514 9.306 1.00 0.00 C ATOM 145 C SER A 12 16.703 0.676 8.136 1.00 0.00 C ATOM 146 O SER A 12 17.488 0.071 7.406 1.00 0.00 O ATOM 147 CB SER A 12 17.324 2.981 8.886 1.00 0.00 C ATOM 148 OG SER A 12 17.076 3.846 9.980 1.00 0.00 O ATOM 0 H SER A 12 19.265 1.687 9.684 1.00 0.00 H new ATOM 0 HA SER A 12 16.495 1.433 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.320 3.172 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.614 3.189 8.086 1.00 0.00 H new ATOM 0 HG SER A 12 17.157 4.777 9.686 1.00 0.00 H new ATOM 154 N ILE A 13 15.385 0.647 7.965 1.00 0.00 N ATOM 155 CA ILE A 13 14.773 -0.115 6.884 1.00 0.00 C ATOM 156 C ILE A 13 14.055 0.804 5.902 1.00 0.00 C ATOM 157 O ILE A 13 13.395 1.764 6.300 1.00 0.00 O ATOM 158 CB ILE A 13 13.771 -1.153 7.424 1.00 0.00 C ATOM 159 CG1 ILE A 13 14.466 -2.103 8.403 1.00 0.00 C ATOM 160 CG2 ILE A 13 13.145 -1.932 6.277 1.00 0.00 C ATOM 161 CD1 ILE A 13 14.552 -1.560 9.813 1.00 0.00 C ATOM 0 H ILE A 13 14.722 1.142 8.561 1.00 0.00 H new ATOM 0 HA ILE A 13 15.580 -0.635 6.368 1.00 0.00 H new ATOM 0 HB ILE A 13 12.978 -0.628 7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 13 13.929 -3.051 8.420 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.472 -2.313 8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.439 -2.661 6.675 1.00 0.00 H new ATOM 0 HG22 ILE A 13 12.621 -1.244 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 13 13.926 -2.449 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.056 -2.285 10.452 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.115 -0.626 9.810 1.00 0.00 H new ATOM 0 HD13 ILE A 13 13.547 -1.377 10.194 1.00 0.00 H new ATOM 173 N THR A 14 14.187 0.502 4.613 1.00 0.00 N ATOM 174 CA THR A 14 13.551 1.300 3.573 1.00 0.00 C ATOM 175 C THR A 14 12.093 1.586 3.914 1.00 0.00 C ATOM 176 O THR A 14 11.399 0.738 4.475 1.00 0.00 O ATOM 177 CB THR A 14 13.618 0.596 2.205 1.00 0.00 C ATOM 178 OG1 THR A 14 12.915 -0.650 2.260 1.00 0.00 O ATOM 179 CG2 THR A 14 15.062 0.351 1.792 1.00 0.00 C ATOM 0 H THR A 14 14.729 -0.289 4.266 1.00 0.00 H new ATOM 0 HA THR A 14 14.099 2.240 3.516 1.00 0.00 H new ATOM 0 HB THR A 14 13.150 1.245 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.961 -1.090 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 14 15.084 -0.147 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 14 15.587 1.304 1.722 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.551 -0.279 2.535 1.00 0.00 H new ATOM 187 N ARG A 15 11.633 2.785 3.569 1.00 0.00 N ATOM 188 CA ARG A 15 10.257 3.182 3.839 1.00 0.00 C ATOM 189 C ARG A 15 9.566 3.653 2.563 1.00 0.00 C ATOM 190 O ARG A 15 8.438 3.256 2.271 1.00 0.00 O ATOM 191 CB ARG A 15 10.221 4.293 4.890 1.00 0.00 C ATOM 192 CG ARG A 15 8.815 4.735 5.262 1.00 0.00 C ATOM 193 CD ARG A 15 8.814 5.589 6.520 1.00 0.00 C ATOM 194 NE ARG A 15 7.602 6.396 6.632 1.00 0.00 N ATOM 195 CZ ARG A 15 7.498 7.460 7.421 1.00 0.00 C ATOM 196 NH1 ARG A 15 8.529 7.844 8.161 1.00 0.00 N ATOM 197 NH2 ARG A 15 6.362 8.144 7.469 1.00 0.00 N ATOM 0 H ARG A 15 12.194 3.498 3.102 1.00 0.00 H new ATOM 0 HA ARG A 15 9.723 2.312 4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.734 3.949 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.776 5.153 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.380 5.300 4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.186 3.858 5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.903 4.945 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.686 6.243 6.515 1.00 0.00 H new ATOM 0 HE ARG A 15 6.791 6.128 6.074 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.405 7.322 8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.446 8.661 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.567 7.853 6.900 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.284 8.961 8.075 1.00 0.00 H new ATOM 211 N THR A 16 10.252 4.502 1.804 1.00 0.00 N ATOM 212 CA THR A 16 9.705 5.028 0.560 1.00 0.00 C ATOM 213 C THR A 16 10.171 4.207 -0.637 1.00 0.00 C ATOM 214 O THR A 16 11.343 4.249 -1.012 1.00 0.00 O ATOM 215 CB THR A 16 10.108 6.500 0.347 1.00 0.00 C ATOM 216 OG1 THR A 16 11.534 6.615 0.302 1.00 0.00 O ATOM 217 CG2 THR A 16 9.557 7.378 1.460 1.00 0.00 C ATOM 0 H THR A 16 11.188 4.840 2.029 1.00 0.00 H new ATOM 0 HA THR A 16 8.620 4.964 0.640 1.00 0.00 H new ATOM 0 HB THR A 16 9.687 6.836 -0.601 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.910 5.838 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.854 8.413 1.288 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.469 7.310 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.952 7.041 2.418 1.00 0.00 H new ATOM 225 N SER A 17 9.247 3.462 -1.234 1.00 0.00 N ATOM 226 CA SER A 17 9.565 2.628 -2.387 1.00 0.00 C ATOM 227 C SER A 17 8.305 2.296 -3.181 1.00 0.00 C ATOM 228 O SER A 17 7.191 2.388 -2.665 1.00 0.00 O ATOM 229 CB SER A 17 10.252 1.337 -1.936 1.00 0.00 C ATOM 230 OG SER A 17 11.631 1.552 -1.693 1.00 0.00 O ATOM 0 H SER A 17 8.272 3.419 -0.938 1.00 0.00 H new ATOM 0 HA SER A 17 10.244 3.186 -3.032 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.774 0.964 -1.030 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.129 0.570 -2.700 1.00 0.00 H new ATOM 0 HG SER A 17 11.784 2.498 -1.489 1.00 0.00 H new ATOM 236 N ARG A 18 8.491 1.909 -4.439 1.00 0.00 N ATOM 237 CA ARG A 18 7.370 1.565 -5.306 1.00 0.00 C ATOM 238 C ARG A 18 7.388 0.079 -5.652 1.00 0.00 C ATOM 239 O ARG A 18 8.199 -0.371 -6.461 1.00 0.00 O ATOM 240 CB ARG A 18 7.414 2.398 -6.587 1.00 0.00 C ATOM 241 CG ARG A 18 6.881 3.811 -6.414 1.00 0.00 C ATOM 242 CD ARG A 18 7.823 4.664 -5.579 1.00 0.00 C ATOM 243 NE ARG A 18 7.476 6.081 -5.637 1.00 0.00 N ATOM 244 CZ ARG A 18 6.455 6.615 -4.975 1.00 0.00 C ATOM 245 NH1 ARG A 18 5.686 5.853 -4.210 1.00 0.00 N ATOM 246 NH2 ARG A 18 6.202 7.913 -5.079 1.00 0.00 N ATOM 0 H ARG A 18 9.407 1.826 -4.880 1.00 0.00 H new ATOM 0 HA ARG A 18 6.447 1.785 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.443 2.448 -6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.834 1.892 -7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.743 4.271 -7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.901 3.776 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.795 4.326 -4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.845 4.527 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 18 8.048 6.694 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.877 4.854 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.903 6.265 -3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.791 8.502 -5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.418 8.322 -4.571 1.00 0.00 H new ATOM 260 N ALA A 19 6.488 -0.679 -5.033 1.00 0.00 N ATOM 261 CA ALA A 19 6.399 -2.113 -5.277 1.00 0.00 C ATOM 262 C ALA A 19 5.679 -2.403 -6.590 1.00 0.00 C ATOM 263 O ALA A 19 4.722 -1.725 -6.964 1.00 0.00 O ATOM 264 CB ALA A 19 5.690 -2.802 -4.120 1.00 0.00 C ATOM 0 H ALA A 19 5.810 -0.323 -4.359 1.00 0.00 H new ATOM 0 HA ALA A 19 7.412 -2.507 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.630 -3.873 -4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.247 -2.632 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.684 -2.396 -4.016 1.00 0.00 H new ATOM 270 N PRO A 20 6.148 -3.435 -7.307 1.00 0.00 N ATOM 271 CA PRO A 20 5.563 -3.838 -8.590 1.00 0.00 C ATOM 272 C PRO A 20 4.178 -4.454 -8.427 1.00 0.00 C ATOM 273 O PRO A 20 4.036 -5.550 -7.883 1.00 0.00 O ATOM 274 CB PRO A 20 6.553 -4.879 -9.119 1.00 0.00 C ATOM 275 CG PRO A 20 7.215 -5.425 -7.902 1.00 0.00 C ATOM 276 CD PRO A 20 7.285 -4.287 -6.922 1.00 0.00 C ATOM 0 HA PRO A 20 5.419 -2.989 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.042 -5.663 -9.677 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.279 -4.427 -9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.648 -6.260 -7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.211 -5.801 -8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.195 -4.636 -5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.231 -3.751 -6.995 1.00 0.00 H new ATOM 284 N SER A 21 3.159 -3.744 -8.901 1.00 0.00 N ATOM 285 CA SER A 21 1.785 -4.221 -8.805 1.00 0.00 C ATOM 286 C SER A 21 0.836 -3.302 -9.570 1.00 0.00 C ATOM 287 O SER A 21 1.015 -2.084 -9.590 1.00 0.00 O ATOM 288 CB SER A 21 1.355 -4.310 -7.339 1.00 0.00 C ATOM 289 OG SER A 21 1.480 -3.054 -6.694 1.00 0.00 O ATOM 0 H SER A 21 3.259 -2.836 -9.355 1.00 0.00 H new ATOM 0 HA SER A 21 1.739 -5.215 -9.251 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.322 -4.652 -7.280 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.965 -5.050 -6.822 1.00 0.00 H new ATOM 0 HG SER A 21 1.198 -3.137 -5.759 1.00 0.00 H new ATOM 295 N VAL A 22 -0.173 -3.896 -10.199 1.00 0.00 N ATOM 296 CA VAL A 22 -1.151 -3.133 -10.966 1.00 0.00 C ATOM 297 C VAL A 22 -2.330 -2.719 -10.093 1.00 0.00 C ATOM 298 O VAL A 22 -2.422 -3.109 -8.929 1.00 0.00 O ATOM 299 CB VAL A 22 -1.674 -3.939 -12.169 1.00 0.00 C ATOM 300 CG1 VAL A 22 -0.561 -4.175 -13.179 1.00 0.00 C ATOM 301 CG2 VAL A 22 -2.273 -5.259 -11.705 1.00 0.00 C ATOM 0 H VAL A 22 -0.335 -4.903 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.642 -2.241 -11.331 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.459 -3.361 -12.658 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.950 -4.746 -14.022 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.182 -3.216 -13.534 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.248 -4.732 -12.706 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.638 -5.816 -12.568 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.510 -5.844 -11.191 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.101 -5.063 -11.023 1.00 0.00 H new ATOM 311 N ALA A 23 -3.232 -1.926 -10.664 1.00 0.00 N ATOM 312 CA ALA A 23 -4.408 -1.461 -9.939 1.00 0.00 C ATOM 313 C ALA A 23 -5.406 -0.797 -10.881 1.00 0.00 C ATOM 314 O ALA A 23 -5.023 -0.049 -11.782 1.00 0.00 O ATOM 315 CB ALA A 23 -4.000 -0.498 -8.834 1.00 0.00 C ATOM 0 H ALA A 23 -3.170 -1.593 -11.626 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.894 -2.327 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.888 -0.159 -8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.331 -1.005 -8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.488 0.360 -9.270 1.00 0.00 H new ATOM 321 N THR A 24 -6.689 -1.074 -10.668 1.00 0.00 N ATOM 322 CA THR A 24 -7.742 -0.505 -11.500 1.00 0.00 C ATOM 323 C THR A 24 -8.815 0.163 -10.647 1.00 0.00 C ATOM 324 O THR A 24 -8.775 0.098 -9.418 1.00 0.00 O ATOM 325 CB THR A 24 -8.401 -1.579 -12.385 1.00 0.00 C ATOM 326 OG1 THR A 24 -9.442 -0.992 -13.174 1.00 0.00 O ATOM 327 CG2 THR A 24 -8.974 -2.704 -11.536 1.00 0.00 C ATOM 0 H THR A 24 -7.024 -1.689 -9.926 1.00 0.00 H new ATOM 0 HA THR A 24 -7.271 0.242 -12.139 1.00 0.00 H new ATOM 0 HB THR A 24 -7.638 -1.995 -13.043 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.855 -1.681 -13.735 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.434 -3.450 -12.184 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.174 -3.168 -10.959 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.725 -2.301 -10.856 1.00 0.00 H new ATOM 335 N VAL A 25 -9.774 0.805 -11.307 1.00 0.00 N ATOM 336 CA VAL A 25 -10.859 1.484 -10.609 1.00 0.00 C ATOM 337 C VAL A 25 -12.202 0.828 -10.911 1.00 0.00 C ATOM 338 O VAL A 25 -12.396 0.252 -11.981 1.00 0.00 O ATOM 339 CB VAL A 25 -10.930 2.973 -10.994 1.00 0.00 C ATOM 340 CG1 VAL A 25 -10.949 3.133 -12.507 1.00 0.00 C ATOM 341 CG2 VAL A 25 -12.149 3.629 -10.364 1.00 0.00 C ATOM 0 H VAL A 25 -9.821 0.869 -12.324 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.649 1.402 -9.543 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.040 3.472 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.999 4.192 -12.760 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.042 2.701 -12.930 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.820 2.620 -12.916 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.183 4.681 -10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.053 3.130 -10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.086 3.547 -9.279 1.00 0.00 H new ATOM 351 N GLY A 26 -13.126 0.919 -9.960 1.00 0.00 N ATOM 352 CA GLY A 26 -14.440 0.330 -10.143 1.00 0.00 C ATOM 353 C GLY A 26 -14.389 -1.182 -10.242 1.00 0.00 C ATOM 354 O GLY A 26 -15.008 -1.774 -11.127 1.00 0.00 O ATOM 0 H GLY A 26 -12.988 1.390 -9.066 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.082 0.615 -9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.894 0.735 -11.048 1.00 0.00 H new ATOM 358 N SER A 27 -13.648 -1.808 -9.334 1.00 0.00 N ATOM 359 CA SER A 27 -13.514 -3.260 -9.326 1.00 0.00 C ATOM 360 C SER A 27 -12.767 -3.730 -8.081 1.00 0.00 C ATOM 361 O SER A 27 -11.995 -2.977 -7.487 1.00 0.00 O ATOM 362 CB SER A 27 -12.781 -3.732 -10.583 1.00 0.00 C ATOM 363 OG SER A 27 -12.335 -5.070 -10.441 1.00 0.00 O ATOM 0 H SER A 27 -13.131 -1.333 -8.594 1.00 0.00 H new ATOM 0 HA SER A 27 -14.514 -3.693 -9.313 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.444 -3.656 -11.445 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.929 -3.080 -10.778 1.00 0.00 H new ATOM 0 HG SER A 27 -11.871 -5.349 -11.258 1.00 0.00 H new ATOM 369 N ILE A 28 -13.004 -4.978 -7.693 1.00 0.00 N ATOM 370 CA ILE A 28 -12.354 -5.550 -6.520 1.00 0.00 C ATOM 371 C ILE A 28 -10.927 -5.983 -6.840 1.00 0.00 C ATOM 372 O ILE A 28 -10.692 -7.117 -7.261 1.00 0.00 O ATOM 373 CB ILE A 28 -13.137 -6.759 -5.976 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.582 -6.363 -5.669 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.458 -7.312 -4.732 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.391 -7.472 -5.035 1.00 0.00 C ATOM 0 H ILE A 28 -13.641 -5.613 -8.174 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.332 -4.770 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.149 -7.539 -6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.580 -5.500 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.069 -6.052 -6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.023 -8.166 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.445 -7.627 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.419 -6.539 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.405 -7.120 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.424 -8.329 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -14.928 -7.768 -4.094 1.00 0.00 H new ATOM 388 N CYS A 29 -9.979 -5.076 -6.634 1.00 0.00 N ATOM 389 CA CYS A 29 -8.574 -5.365 -6.899 1.00 0.00 C ATOM 390 C CYS A 29 -7.941 -6.106 -5.726 1.00 0.00 C ATOM 391 O CYS A 29 -8.100 -5.712 -4.571 1.00 0.00 O ATOM 392 CB CYS A 29 -7.808 -4.069 -7.173 1.00 0.00 C ATOM 393 SG CYS A 29 -7.177 -3.257 -5.685 1.00 0.00 S ATOM 0 H CYS A 29 -10.157 -4.135 -6.284 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.520 -6.004 -7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.972 -4.287 -7.837 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -8.463 -3.377 -7.702 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.353 -4.035 -4.658 1.00 0.00 H new ATOM 399 N ASP A 30 -7.225 -7.183 -6.031 1.00 0.00 N ATOM 400 CA ASP A 30 -6.568 -7.981 -5.002 1.00 0.00 C ATOM 401 C ASP A 30 -5.114 -7.553 -4.829 1.00 0.00 C ATOM 402 O ASP A 30 -4.331 -7.576 -5.780 1.00 0.00 O ATOM 403 CB ASP A 30 -6.637 -9.467 -5.358 1.00 0.00 C ATOM 404 CG ASP A 30 -6.579 -9.708 -6.853 1.00 0.00 C ATOM 405 OD1 ASP A 30 -5.522 -9.432 -7.458 1.00 0.00 O ATOM 406 OD2 ASP A 30 -7.591 -10.171 -7.420 1.00 0.00 O ATOM 0 H ASP A 30 -7.085 -7.523 -6.982 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.091 -7.817 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.812 -9.992 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.559 -9.890 -4.960 1.00 0.00 H new ATOM 411 N LEU A 31 -4.758 -7.163 -3.610 1.00 0.00 N ATOM 412 CA LEU A 31 -3.398 -6.729 -3.312 1.00 0.00 C ATOM 413 C LEU A 31 -2.614 -7.837 -2.615 1.00 0.00 C ATOM 414 O LEU A 31 -2.715 -8.013 -1.402 1.00 0.00 O ATOM 415 CB LEU A 31 -3.422 -5.477 -2.434 1.00 0.00 C ATOM 416 CG LEU A 31 -2.059 -4.900 -2.050 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.370 -4.302 -3.267 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.212 -3.855 -0.954 1.00 0.00 C ATOM 0 H LEU A 31 -5.393 -7.138 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.903 -6.495 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.988 -4.704 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.966 -5.710 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.438 -5.710 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.402 -3.896 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.226 -5.076 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.988 -3.504 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.232 -3.455 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.851 -3.047 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.662 -4.314 -0.074 1.00 0.00 H new ATOM 430 N ASN A 32 -1.831 -8.579 -3.391 1.00 0.00 N ATOM 431 CA ASN A 32 -1.027 -9.668 -2.848 1.00 0.00 C ATOM 432 C ASN A 32 0.204 -9.129 -2.127 1.00 0.00 C ATOM 433 O ASN A 32 1.013 -8.407 -2.712 1.00 0.00 O ATOM 434 CB ASN A 32 -0.601 -10.621 -3.966 1.00 0.00 C ATOM 435 CG ASN A 32 0.450 -11.615 -3.510 1.00 0.00 C ATOM 436 OD1 ASN A 32 1.643 -11.309 -3.494 1.00 0.00 O ATOM 437 ND2 ASN A 32 0.011 -12.811 -3.136 1.00 0.00 N ATOM 0 H ASN A 32 -1.736 -8.446 -4.398 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.637 -10.213 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.474 -11.162 -4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.211 -10.043 -4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.672 -13.521 -2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.987 -13.020 -3.166 1.00 0.00 H new ATOM 444 N LEU A 33 0.341 -9.484 -0.855 1.00 0.00 N ATOM 445 CA LEU A 33 1.475 -9.037 -0.053 1.00 0.00 C ATOM 446 C LEU A 33 2.197 -10.223 0.578 1.00 0.00 C ATOM 447 O LEU A 33 1.572 -11.211 0.965 1.00 0.00 O ATOM 448 CB LEU A 33 1.005 -8.073 1.037 1.00 0.00 C ATOM 449 CG LEU A 33 0.267 -6.823 0.555 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.740 -6.363 1.598 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.254 -5.710 0.237 1.00 0.00 C ATOM 0 H LEU A 33 -0.319 -10.080 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 33 2.173 -8.519 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.350 -8.617 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.874 -7.758 1.614 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.274 -7.073 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.256 -5.473 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.466 -7.156 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.221 -6.131 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.711 -4.829 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.823 -5.461 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.936 -6.041 -0.546 1.00 0.00 H new ATOM 463 N LYS A 34 3.518 -10.118 0.682 1.00 0.00 N ATOM 464 CA LYS A 34 4.327 -11.180 1.269 1.00 0.00 C ATOM 465 C LYS A 34 4.562 -10.926 2.755 1.00 0.00 C ATOM 466 O LYS A 34 5.682 -10.637 3.175 1.00 0.00 O ATOM 467 CB LYS A 34 5.668 -11.289 0.541 1.00 0.00 C ATOM 468 CG LYS A 34 6.503 -10.022 0.611 1.00 0.00 C ATOM 469 CD LYS A 34 7.454 -9.915 -0.569 1.00 0.00 C ATOM 470 CE LYS A 34 7.986 -8.499 -0.730 1.00 0.00 C ATOM 471 NZ LYS A 34 8.758 -8.058 0.465 1.00 0.00 N ATOM 0 H LYS A 34 4.051 -9.307 0.367 1.00 0.00 H new ATOM 0 HA LYS A 34 3.784 -12.119 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.238 -12.114 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.485 -11.536 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.846 -9.153 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.072 -10.011 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.287 -10.604 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.939 -10.217 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.623 -8.448 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.154 -7.815 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.175 -7.123 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.123 -8.001 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.516 -8.743 0.661 1.00 0.00 H new ATOM 485 N ILE A 35 3.499 -11.037 3.545 1.00 0.00 N ATOM 486 CA ILE A 35 3.591 -10.822 4.983 1.00 0.00 C ATOM 487 C ILE A 35 3.962 -12.110 5.709 1.00 0.00 C ATOM 488 O ILE A 35 3.467 -13.193 5.396 1.00 0.00 O ATOM 489 CB ILE A 35 2.267 -10.284 5.558 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.913 -8.943 4.913 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.366 -10.142 7.070 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.426 -8.670 4.865 1.00 0.00 C ATOM 0 H ILE A 35 2.564 -11.275 3.213 1.00 0.00 H new ATOM 0 HA ILE A 35 4.374 -10.080 5.142 1.00 0.00 H new ATOM 0 HB ILE A 35 1.473 -10.995 5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.404 -8.142 5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.311 -8.920 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.423 -9.761 7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.577 -11.115 7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.169 -9.448 7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.249 -7.703 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.069 -9.450 4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.025 -8.660 5.879 1.00 0.00 H new ATOM 504 N PRO A 36 4.853 -11.993 6.705 1.00 0.00 N ATOM 505 CA PRO A 36 5.308 -13.139 7.498 1.00 0.00 C ATOM 506 C PRO A 36 4.214 -13.684 8.410 1.00 0.00 C ATOM 507 O PRO A 36 3.037 -13.375 8.234 1.00 0.00 O ATOM 508 CB PRO A 36 6.458 -12.561 8.328 1.00 0.00 C ATOM 509 CG PRO A 36 6.161 -11.104 8.424 1.00 0.00 C ATOM 510 CD PRO A 36 5.484 -10.734 7.133 1.00 0.00 C ATOM 0 HA PRO A 36 5.599 -13.981 6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.504 -13.021 9.315 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.421 -12.738 7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.517 -10.892 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.075 -10.528 8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.747 -9.944 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.199 -10.371 6.394 1.00 0.00 H new ATOM 518 N GLU A 37 4.613 -14.496 9.385 1.00 0.00 N ATOM 519 CA GLU A 37 3.664 -15.084 10.323 1.00 0.00 C ATOM 520 C GLU A 37 2.666 -14.039 10.814 1.00 0.00 C ATOM 521 O GLU A 37 1.538 -14.369 11.183 1.00 0.00 O ATOM 522 CB GLU A 37 4.405 -15.696 11.514 1.00 0.00 C ATOM 523 CG GLU A 37 5.098 -14.668 12.393 1.00 0.00 C ATOM 524 CD GLU A 37 6.306 -15.237 13.113 1.00 0.00 C ATOM 525 OE1 GLU A 37 7.394 -15.279 12.503 1.00 0.00 O ATOM 526 OE2 GLU A 37 6.162 -15.640 14.286 1.00 0.00 O ATOM 0 H GLU A 37 5.585 -14.761 9.545 1.00 0.00 H new ATOM 0 HA GLU A 37 3.115 -15.869 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.697 -16.262 12.120 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.146 -16.405 11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.410 -13.822 11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.389 -14.286 13.127 1.00 0.00 H new ATOM 533 N ILE A 38 3.088 -12.780 10.815 1.00 0.00 N ATOM 534 CA ILE A 38 2.232 -11.687 11.259 1.00 0.00 C ATOM 535 C ILE A 38 0.778 -11.935 10.870 1.00 0.00 C ATOM 536 O ILE A 38 0.477 -12.243 9.718 1.00 0.00 O ATOM 537 CB ILE A 38 2.686 -10.339 10.668 1.00 0.00 C ATOM 538 CG1 ILE A 38 3.957 -9.853 11.368 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.578 -9.305 10.793 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.617 -8.681 10.677 1.00 0.00 C ATOM 0 H ILE A 38 4.018 -12.491 10.513 1.00 0.00 H new ATOM 0 HA ILE A 38 2.314 -11.644 12.345 1.00 0.00 H new ATOM 0 HB ILE A 38 2.907 -10.479 9.610 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.713 -9.570 12.392 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.668 -10.677 11.426 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.915 -8.358 10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.696 -9.650 10.253 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.328 -9.165 11.845 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.511 -8.390 11.228 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.893 -8.966 9.662 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.923 -7.841 10.642 1.00 0.00 H new ATOM 552 N ASN A 39 -0.120 -11.798 11.840 1.00 0.00 N ATOM 553 CA ASN A 39 -1.543 -12.006 11.599 1.00 0.00 C ATOM 554 C ASN A 39 -2.200 -10.728 11.086 1.00 0.00 C ATOM 555 O ASN A 39 -1.558 -9.683 10.990 1.00 0.00 O ATOM 556 CB ASN A 39 -2.236 -12.470 12.882 1.00 0.00 C ATOM 557 CG ASN A 39 -2.104 -13.964 13.103 1.00 0.00 C ATOM 558 OD1 ASN A 39 -3.073 -14.711 12.969 1.00 0.00 O ATOM 559 ND2 ASN A 39 -0.899 -14.407 13.443 1.00 0.00 N ATOM 0 H ASN A 39 0.112 -11.544 12.800 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.648 -12.779 10.837 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.809 -11.940 13.734 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.292 -12.204 12.838 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.749 -15.403 13.604 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.124 -13.751 13.543 1.00 0.00 H new ATOM 566 N SER A 40 -3.485 -10.821 10.758 1.00 0.00 N ATOM 567 CA SER A 40 -4.230 -9.674 10.252 1.00 0.00 C ATOM 568 C SER A 40 -4.888 -8.906 11.394 1.00 0.00 C ATOM 569 O SER A 40 -5.235 -7.734 11.250 1.00 0.00 O ATOM 570 CB SER A 40 -5.292 -10.130 9.250 1.00 0.00 C ATOM 571 OG SER A 40 -4.706 -10.477 8.008 1.00 0.00 O ATOM 0 H SER A 40 -4.032 -11.679 10.834 1.00 0.00 H new ATOM 0 HA SER A 40 -3.527 -9.010 9.749 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.832 -10.987 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.022 -9.334 9.102 1.00 0.00 H new ATOM 0 HG SER A 40 -4.836 -11.434 7.841 1.00 0.00 H new ATOM 577 N SER A 41 -5.056 -9.576 12.530 1.00 0.00 N ATOM 578 CA SER A 41 -5.675 -8.959 13.697 1.00 0.00 C ATOM 579 C SER A 41 -4.769 -7.885 14.289 1.00 0.00 C ATOM 580 O SER A 41 -5.199 -7.081 15.117 1.00 0.00 O ATOM 581 CB SER A 41 -5.987 -10.019 14.755 1.00 0.00 C ATOM 582 OG SER A 41 -4.949 -10.980 14.836 1.00 0.00 O ATOM 0 H SER A 41 -4.772 -10.546 12.667 1.00 0.00 H new ATOM 0 HA SER A 41 -6.605 -8.489 13.378 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.120 -9.541 15.725 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.927 -10.514 14.512 1.00 0.00 H new ATOM 0 HG SER A 41 -5.172 -11.645 15.520 1.00 0.00 H new ATOM 588 N ASP A 42 -3.512 -7.877 13.859 1.00 0.00 N ATOM 589 CA ASP A 42 -2.543 -6.901 14.345 1.00 0.00 C ATOM 590 C ASP A 42 -2.300 -5.812 13.304 1.00 0.00 C ATOM 591 O ASP A 42 -1.995 -4.670 13.647 1.00 0.00 O ATOM 592 CB ASP A 42 -1.225 -7.591 14.697 1.00 0.00 C ATOM 593 CG ASP A 42 -0.721 -8.481 13.578 1.00 0.00 C ATOM 594 OD1 ASP A 42 -0.382 -7.946 12.502 1.00 0.00 O ATOM 595 OD2 ASP A 42 -0.665 -9.713 13.778 1.00 0.00 O ATOM 0 H ASP A 42 -3.140 -8.536 13.175 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.951 -6.436 15.242 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.472 -6.836 14.924 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.360 -8.188 15.599 1.00 0.00 H new ATOM 600 N MET A 43 -2.437 -6.175 12.033 1.00 0.00 N ATOM 601 CA MET A 43 -2.232 -5.228 10.943 1.00 0.00 C ATOM 602 C MET A 43 -3.476 -4.373 10.725 1.00 0.00 C ATOM 603 O MET A 43 -4.553 -4.686 11.231 1.00 0.00 O ATOM 604 CB MET A 43 -1.877 -5.972 9.654 1.00 0.00 C ATOM 605 CG MET A 43 -0.455 -6.507 9.632 1.00 0.00 C ATOM 606 SD MET A 43 0.019 -7.158 8.019 1.00 0.00 S ATOM 607 CE MET A 43 -0.981 -8.642 7.946 1.00 0.00 C ATOM 0 H MET A 43 -2.689 -7.117 11.733 1.00 0.00 H new ATOM 0 HA MET A 43 -1.405 -4.572 11.215 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.571 -6.802 9.521 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.017 -5.301 8.807 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.233 -5.710 9.914 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.356 -7.293 10.380 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.353 -9.513 8.133 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.764 -8.590 8.702 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.435 -8.727 6.959 1.00 0.00 H new ATOM 617 N SER A 44 -3.319 -3.291 9.968 1.00 0.00 N ATOM 618 CA SER A 44 -4.429 -2.388 9.687 1.00 0.00 C ATOM 619 C SER A 44 -4.270 -1.744 8.313 1.00 0.00 C ATOM 620 O SER A 44 -3.247 -1.127 8.019 1.00 0.00 O ATOM 621 CB SER A 44 -4.519 -1.305 10.763 1.00 0.00 C ATOM 622 OG SER A 44 -3.602 -0.255 10.508 1.00 0.00 O ATOM 0 H SER A 44 -2.435 -3.019 9.539 1.00 0.00 H new ATOM 0 HA SER A 44 -5.350 -2.971 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.533 -0.906 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.314 -1.741 11.741 1.00 0.00 H new ATOM 0 HG SER A 44 -3.086 -0.460 9.700 1.00 0.00 H new ATOM 628 N ALA A 45 -5.291 -1.892 7.475 1.00 0.00 N ATOM 629 CA ALA A 45 -5.267 -1.323 6.133 1.00 0.00 C ATOM 630 C ALA A 45 -6.275 -0.187 6.000 1.00 0.00 C ATOM 631 O ALA A 45 -7.424 -0.309 6.427 1.00 0.00 O ATOM 632 CB ALA A 45 -5.546 -2.403 5.098 1.00 0.00 C ATOM 0 H ALA A 45 -6.145 -2.401 7.702 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.273 -0.913 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.525 -1.965 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.785 -3.180 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.528 -2.839 5.282 1.00 0.00 H new ATOM 638 N HIS A 46 -5.838 0.919 5.406 1.00 0.00 N ATOM 639 CA HIS A 46 -6.704 2.078 5.217 1.00 0.00 C ATOM 640 C HIS A 46 -6.305 2.855 3.966 1.00 0.00 C ATOM 641 O HIS A 46 -5.147 3.240 3.805 1.00 0.00 O ATOM 642 CB HIS A 46 -6.641 2.992 6.441 1.00 0.00 C ATOM 643 CG HIS A 46 -7.128 2.342 7.699 1.00 0.00 C ATOM 644 ND1 HIS A 46 -8.384 2.094 8.140 1.00 0.00 N flip ATOM 645 CD2 HIS A 46 -6.280 1.863 8.676 1.00 0.00 C flip ATOM 646 CE1 HIS A 46 -8.273 1.476 9.360 1.00 0.00 C flip ATOM 647 NE2 HIS A 46 -6.993 1.348 9.661 1.00 0.00 N flip ATOM 0 H HIS A 46 -4.890 1.037 5.048 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.726 1.721 5.091 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.612 3.321 6.586 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.236 3.885 6.249 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.201 1.903 8.641 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.098 1.147 9.975 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.619 0.924 10.510 1.00 0.00 H new ATOM 655 N VAL A 47 -7.272 3.082 3.083 1.00 0.00 N ATOM 656 CA VAL A 47 -7.022 3.813 1.846 1.00 0.00 C ATOM 657 C VAL A 47 -7.324 5.298 2.015 1.00 0.00 C ATOM 658 O VAL A 47 -8.482 5.715 1.986 1.00 0.00 O ATOM 659 CB VAL A 47 -7.868 3.257 0.685 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.543 3.987 -0.609 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.646 1.760 0.533 1.00 0.00 C ATOM 0 H VAL A 47 -8.236 2.770 3.201 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.966 3.685 1.610 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.921 3.423 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.150 3.581 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.758 5.049 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.487 3.855 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.252 1.384 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.593 1.567 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.934 1.254 1.454 1.00 0.00 H new ATOM 671 N THR A 48 -6.273 6.093 2.192 1.00 0.00 N ATOM 672 CA THR A 48 -6.425 7.532 2.367 1.00 0.00 C ATOM 673 C THR A 48 -6.460 8.248 1.022 1.00 0.00 C ATOM 674 O THR A 48 -5.687 7.930 0.118 1.00 0.00 O ATOM 675 CB THR A 48 -5.283 8.118 3.218 1.00 0.00 C ATOM 676 OG1 THR A 48 -5.354 7.605 4.554 1.00 0.00 O ATOM 677 CG2 THR A 48 -5.355 9.637 3.248 1.00 0.00 C ATOM 0 H THR A 48 -5.308 5.764 2.218 1.00 0.00 H new ATOM 0 HA THR A 48 -7.371 7.690 2.884 1.00 0.00 H new ATOM 0 HB THR A 48 -4.335 7.824 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.623 7.981 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.538 10.028 3.855 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.271 10.025 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.307 9.948 3.678 1.00 0.00 H new ATOM 685 N SER A 49 -7.361 9.217 0.896 1.00 0.00 N ATOM 686 CA SER A 49 -7.499 9.977 -0.341 1.00 0.00 C ATOM 687 C SER A 49 -6.517 11.145 -0.373 1.00 0.00 C ATOM 688 O SER A 49 -6.050 11.625 0.660 1.00 0.00 O ATOM 689 CB SER A 49 -8.930 10.495 -0.489 1.00 0.00 C ATOM 690 OG SER A 49 -9.060 11.800 0.049 1.00 0.00 O ATOM 0 H SER A 49 -8.006 9.494 1.635 1.00 0.00 H new ATOM 0 HA SER A 49 -7.273 9.312 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.210 10.503 -1.543 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.619 9.819 0.018 1.00 0.00 H new ATOM 0 HG SER A 49 -9.973 11.927 0.382 1.00 0.00 H new ATOM 696 N PRO A 50 -6.198 11.615 -1.588 1.00 0.00 N ATOM 697 CA PRO A 50 -5.270 12.733 -1.785 1.00 0.00 C ATOM 698 C PRO A 50 -5.855 14.061 -1.318 1.00 0.00 C ATOM 699 O PRO A 50 -5.234 15.113 -1.473 1.00 0.00 O ATOM 700 CB PRO A 50 -5.051 12.749 -3.300 1.00 0.00 C ATOM 701 CG PRO A 50 -6.277 12.121 -3.867 1.00 0.00 C ATOM 702 CD PRO A 50 -6.717 11.092 -2.862 1.00 0.00 C ATOM 0 HA PRO A 50 -4.353 12.608 -1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.920 13.766 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.156 12.191 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.057 12.865 -4.031 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.069 11.660 -4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.802 10.989 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.307 10.108 -3.089 1.00 0.00 H new ATOM 710 N SER A 51 -7.052 14.006 -0.744 1.00 0.00 N ATOM 711 CA SER A 51 -7.722 15.206 -0.256 1.00 0.00 C ATOM 712 C SER A 51 -7.573 15.335 1.256 1.00 0.00 C ATOM 713 O SER A 51 -6.949 16.272 1.752 1.00 0.00 O ATOM 714 CB SER A 51 -9.205 15.177 -0.634 1.00 0.00 C ATOM 715 OG SER A 51 -9.905 14.207 0.125 1.00 0.00 O ATOM 0 H SER A 51 -7.578 13.143 -0.605 1.00 0.00 H new ATOM 0 HA SER A 51 -7.252 16.071 -0.724 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.645 16.160 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.309 14.956 -1.696 1.00 0.00 H new ATOM 0 HG SER A 51 -9.462 13.338 0.033 1.00 0.00 H new ATOM 721 N GLY A 52 -8.152 14.385 1.985 1.00 0.00 N ATOM 722 CA GLY A 52 -8.073 14.410 3.434 1.00 0.00 C ATOM 723 C GLY A 52 -9.041 13.441 4.084 1.00 0.00 C ATOM 724 O GLY A 52 -9.573 13.713 5.160 1.00 0.00 O ATOM 0 H GLY A 52 -8.674 13.599 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.057 14.166 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.281 15.419 3.789 1.00 0.00 H new ATOM 728 N ARG A 53 -9.272 12.309 3.428 1.00 0.00 N ATOM 729 CA ARG A 53 -10.185 11.298 3.948 1.00 0.00 C ATOM 730 C ARG A 53 -9.451 9.986 4.210 1.00 0.00 C ATOM 731 O ARG A 53 -8.409 9.715 3.614 1.00 0.00 O ATOM 732 CB ARG A 53 -11.334 11.064 2.965 1.00 0.00 C ATOM 733 CG ARG A 53 -12.538 11.959 3.211 1.00 0.00 C ATOM 734 CD ARG A 53 -13.520 11.902 2.052 1.00 0.00 C ATOM 735 NE ARG A 53 -14.708 12.714 2.301 1.00 0.00 N ATOM 736 CZ ARG A 53 -15.629 12.972 1.379 1.00 0.00 C ATOM 737 NH1 ARG A 53 -15.499 12.484 0.153 1.00 0.00 N ATOM 738 NH2 ARG A 53 -16.683 13.719 1.682 1.00 0.00 N ATOM 0 H ARG A 53 -8.840 12.069 2.536 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.591 11.662 4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.972 11.228 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.648 10.022 3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.039 11.653 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.205 12.987 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.028 12.248 1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.817 10.868 1.879 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.838 13.105 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.690 11.909 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.208 12.684 -0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.787 14.096 2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.389 13.916 0.973 1.00 0.00 H new ATOM 752 N VAL A 54 -10.003 9.175 5.108 1.00 0.00 N ATOM 753 CA VAL A 54 -9.401 7.891 5.449 1.00 0.00 C ATOM 754 C VAL A 54 -10.449 6.784 5.478 1.00 0.00 C ATOM 755 O VAL A 54 -11.444 6.873 6.198 1.00 0.00 O ATOM 756 CB VAL A 54 -8.694 7.949 6.816 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.130 6.585 7.184 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.596 9.002 6.803 1.00 0.00 C ATOM 0 H VAL A 54 -10.865 9.384 5.612 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.665 7.671 4.676 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.427 8.229 7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.634 6.646 8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.941 5.858 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.411 6.273 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.107 9.030 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.863 8.754 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.031 9.978 6.587 1.00 0.00 H new ATOM 768 N THR A 55 -10.219 5.738 4.690 1.00 0.00 N ATOM 769 CA THR A 55 -11.142 4.613 4.624 1.00 0.00 C ATOM 770 C THR A 55 -10.501 3.342 5.171 1.00 0.00 C ATOM 771 O THR A 55 -9.300 3.308 5.436 1.00 0.00 O ATOM 772 CB THR A 55 -11.613 4.356 3.180 1.00 0.00 C ATOM 773 OG1 THR A 55 -10.490 4.351 2.292 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.609 5.418 2.740 1.00 0.00 C ATOM 0 H THR A 55 -9.400 5.647 4.088 1.00 0.00 H new ATOM 0 HA THR A 55 -12.003 4.875 5.238 1.00 0.00 H new ATOM 0 HB THR A 55 -12.104 3.384 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.090 5.245 2.265 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.928 5.216 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.476 5.400 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.138 6.400 2.786 1.00 0.00 H new ATOM 782 N GLU A 56 -11.309 2.300 5.335 1.00 0.00 N ATOM 783 CA GLU A 56 -10.819 1.027 5.850 1.00 0.00 C ATOM 784 C GLU A 56 -10.963 -0.075 4.805 1.00 0.00 C ATOM 785 O GLU A 56 -11.909 -0.078 4.017 1.00 0.00 O ATOM 786 CB GLU A 56 -11.576 0.640 7.122 1.00 0.00 C ATOM 787 CG GLU A 56 -11.096 -0.660 7.745 1.00 0.00 C ATOM 788 CD GLU A 56 -12.086 -1.230 8.742 1.00 0.00 C ATOM 789 OE1 GLU A 56 -12.836 -0.440 9.352 1.00 0.00 O ATOM 790 OE2 GLU A 56 -12.111 -2.467 8.911 1.00 0.00 O ATOM 0 H GLU A 56 -12.306 2.312 5.119 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.761 1.144 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.475 1.442 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.637 0.552 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.917 -1.392 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.142 -0.489 8.243 1.00 0.00 H new ATOM 797 N ALA A 57 -10.017 -1.008 4.803 1.00 0.00 N ATOM 798 CA ALA A 57 -10.038 -2.116 3.856 1.00 0.00 C ATOM 799 C ALA A 57 -10.146 -3.454 4.579 1.00 0.00 C ATOM 800 O ALA A 57 -9.893 -3.543 5.780 1.00 0.00 O ATOM 801 CB ALA A 57 -8.794 -2.086 2.980 1.00 0.00 C ATOM 0 H ALA A 57 -9.226 -1.019 5.447 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.918 -2.003 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.823 -2.919 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.760 -1.147 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.906 -2.170 3.606 1.00 0.00 H new ATOM 807 N GLU A 58 -10.524 -4.492 3.840 1.00 0.00 N ATOM 808 CA GLU A 58 -10.666 -5.826 4.412 1.00 0.00 C ATOM 809 C GLU A 58 -9.488 -6.714 4.024 1.00 0.00 C ATOM 810 O GLU A 58 -8.955 -6.607 2.919 1.00 0.00 O ATOM 811 CB GLU A 58 -11.976 -6.466 3.949 1.00 0.00 C ATOM 812 CG GLU A 58 -12.355 -7.713 4.732 1.00 0.00 C ATOM 813 CD GLU A 58 -13.073 -7.391 6.029 1.00 0.00 C ATOM 814 OE1 GLU A 58 -12.445 -6.779 6.918 1.00 0.00 O ATOM 815 OE2 GLU A 58 -14.262 -7.752 6.154 1.00 0.00 O ATOM 0 H GLU A 58 -10.737 -4.435 2.844 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.681 -5.728 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.779 -5.734 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.892 -6.722 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.993 -8.345 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.455 -8.287 4.952 1.00 0.00 H new ATOM 822 N ILE A 59 -9.087 -7.589 4.939 1.00 0.00 N ATOM 823 CA ILE A 59 -7.973 -8.496 4.693 1.00 0.00 C ATOM 824 C ILE A 59 -8.431 -9.950 4.718 1.00 0.00 C ATOM 825 O ILE A 59 -8.633 -10.530 5.784 1.00 0.00 O ATOM 826 CB ILE A 59 -6.851 -8.305 5.731 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.468 -6.827 5.834 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.639 -9.148 5.363 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.667 -6.496 7.074 1.00 0.00 C ATOM 0 H ILE A 59 -9.517 -7.689 5.858 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.585 -8.257 3.703 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.216 -8.635 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.891 -6.547 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.375 -6.223 5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.855 -9.002 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.922 -10.200 5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.270 -8.847 4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.431 -5.432 7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.250 -6.744 7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.742 -7.073 7.075 1.00 0.00 H new ATOM 841 N VAL A 60 -8.592 -10.534 3.534 1.00 0.00 N ATOM 842 CA VAL A 60 -9.024 -11.922 3.420 1.00 0.00 C ATOM 843 C VAL A 60 -7.909 -12.880 3.824 1.00 0.00 C ATOM 844 O VAL A 60 -6.771 -12.777 3.364 1.00 0.00 O ATOM 845 CB VAL A 60 -9.474 -12.253 1.984 1.00 0.00 C ATOM 846 CG1 VAL A 60 -10.313 -13.522 1.967 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.245 -11.086 1.386 1.00 0.00 C ATOM 0 H VAL A 60 -8.430 -10.068 2.641 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.869 -12.047 4.097 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.587 -12.424 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.622 -13.740 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.723 -14.353 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.196 -13.383 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.555 -11.337 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.126 -10.882 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.607 -10.202 1.362 1.00 0.00 H new ATOM 857 N PRO A 61 -8.240 -13.835 4.706 1.00 0.00 N ATOM 858 CA PRO A 61 -7.280 -14.831 5.191 1.00 0.00 C ATOM 859 C PRO A 61 -6.884 -15.830 4.110 1.00 0.00 C ATOM 860 O PRO A 61 -7.740 -16.470 3.499 1.00 0.00 O ATOM 861 CB PRO A 61 -8.040 -15.536 6.318 1.00 0.00 C ATOM 862 CG PRO A 61 -9.479 -15.353 5.976 1.00 0.00 C ATOM 863 CD PRO A 61 -9.577 -14.016 5.296 1.00 0.00 C ATOM 0 HA PRO A 61 -6.344 -14.373 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.777 -16.592 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.805 -15.099 7.288 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.829 -16.151 5.320 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.100 -15.382 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.357 -14.009 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.815 -13.222 6.004 1.00 0.00 H new ATOM 871 N MET A 62 -5.582 -15.959 3.878 1.00 0.00 N ATOM 872 CA MET A 62 -5.073 -16.882 2.870 1.00 0.00 C ATOM 873 C MET A 62 -4.639 -18.198 3.508 1.00 0.00 C ATOM 874 O MET A 62 -5.295 -19.225 3.342 1.00 0.00 O ATOM 875 CB MET A 62 -3.898 -16.254 2.119 1.00 0.00 C ATOM 876 CG MET A 62 -4.304 -15.118 1.195 1.00 0.00 C ATOM 877 SD MET A 62 -3.010 -14.683 0.017 1.00 0.00 S ATOM 878 CE MET A 62 -3.946 -14.619 -1.508 1.00 0.00 C ATOM 0 H MET A 62 -4.860 -15.436 4.374 1.00 0.00 H new ATOM 0 HA MET A 62 -5.877 -17.089 2.164 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.173 -15.881 2.842 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.397 -17.026 1.534 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.205 -15.402 0.651 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.556 -14.242 1.792 1.00 0.00 H new ATOM 0 HE1 MET A 62 -3.604 -13.777 -2.110 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.800 -15.545 -2.064 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.005 -14.495 -1.280 1.00 0.00 H new ATOM 888 N GLY A 63 -3.529 -18.159 4.239 1.00 0.00 N ATOM 889 CA GLY A 63 -3.027 -19.355 4.890 1.00 0.00 C ATOM 890 C GLY A 63 -1.727 -19.110 5.630 1.00 0.00 C ATOM 891 O GLY A 63 -1.650 -18.234 6.492 1.00 0.00 O ATOM 0 H GLY A 63 -2.969 -17.321 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.776 -19.725 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.875 -20.135 4.144 1.00 0.00 H new ATOM 895 N LYS A 64 -0.702 -19.885 5.294 1.00 0.00 N ATOM 896 CA LYS A 64 0.602 -19.750 5.932 1.00 0.00 C ATOM 897 C LYS A 64 1.230 -18.399 5.606 1.00 0.00 C ATOM 898 O LYS A 64 1.545 -18.113 4.451 1.00 0.00 O ATOM 899 CB LYS A 64 1.533 -20.878 5.483 1.00 0.00 C ATOM 900 CG LYS A 64 2.627 -21.200 6.485 1.00 0.00 C ATOM 901 CD LYS A 64 3.528 -22.318 5.988 1.00 0.00 C ATOM 902 CE LYS A 64 4.506 -22.767 7.063 1.00 0.00 C ATOM 903 NZ LYS A 64 3.821 -23.494 8.168 1.00 0.00 N ATOM 0 H LYS A 64 -0.749 -20.614 4.582 1.00 0.00 H new ATOM 0 HA LYS A 64 0.458 -19.814 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.941 -21.776 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.992 -20.603 4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.224 -20.307 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.178 -21.489 7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.918 -23.165 5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.080 -21.979 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.263 -23.413 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.025 -21.898 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.531 -23.957 8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.269 -22.821 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.185 -24.213 7.768 1.00 0.00 H new ATOM 917 N ASN A 65 1.410 -17.572 6.631 1.00 0.00 N ATOM 918 CA ASN A 65 2.001 -16.250 6.452 1.00 0.00 C ATOM 919 C ASN A 65 1.557 -15.630 5.130 1.00 0.00 C ATOM 920 O ASN A 65 2.369 -15.075 4.390 1.00 0.00 O ATOM 921 CB ASN A 65 3.527 -16.341 6.499 1.00 0.00 C ATOM 922 CG ASN A 65 4.088 -17.221 5.398 1.00 0.00 C ATOM 923 OD1 ASN A 65 3.833 -18.424 5.358 1.00 0.00 O ATOM 924 ND2 ASN A 65 4.858 -16.621 4.496 1.00 0.00 N ATOM 0 H ASN A 65 1.155 -17.793 7.594 1.00 0.00 H new ATOM 0 HA ASN A 65 1.657 -15.612 7.266 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.951 -15.341 6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.835 -16.735 7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.264 -17.161 3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.043 -15.621 4.568 1.00 0.00 H new ATOM 931 N SER A 66 0.264 -15.728 4.841 1.00 0.00 N ATOM 932 CA SER A 66 -0.288 -15.180 3.608 1.00 0.00 C ATOM 933 C SER A 66 -1.540 -14.356 3.892 1.00 0.00 C ATOM 934 O SER A 66 -2.397 -14.759 4.679 1.00 0.00 O ATOM 935 CB SER A 66 -0.616 -16.306 2.626 1.00 0.00 C ATOM 936 OG SER A 66 0.562 -16.962 2.189 1.00 0.00 O ATOM 0 H SER A 66 -0.422 -16.182 5.444 1.00 0.00 H new ATOM 0 HA SER A 66 0.462 -14.527 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.281 -17.026 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.149 -15.899 1.767 1.00 0.00 H new ATOM 0 HG SER A 66 1.023 -17.355 2.960 1.00 0.00 H new ATOM 942 N HIS A 67 -1.639 -13.199 3.244 1.00 0.00 N ATOM 943 CA HIS A 67 -2.786 -12.317 3.426 1.00 0.00 C ATOM 944 C HIS A 67 -3.117 -11.582 2.131 1.00 0.00 C ATOM 945 O HIS A 67 -2.220 -11.184 1.386 1.00 0.00 O ATOM 946 CB HIS A 67 -2.510 -11.309 4.542 1.00 0.00 C ATOM 947 CG HIS A 67 -2.311 -11.941 5.885 1.00 0.00 C ATOM 948 ND1 HIS A 67 -3.352 -12.233 6.741 1.00 0.00 N ATOM 949 CD2 HIS A 67 -1.183 -12.340 6.518 1.00 0.00 C ATOM 950 CE1 HIS A 67 -2.873 -12.782 7.843 1.00 0.00 C ATOM 951 NE2 HIS A 67 -1.559 -12.859 7.732 1.00 0.00 N ATOM 0 H HIS A 67 -0.939 -12.851 2.589 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.643 -12.930 3.705 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.622 -10.731 4.287 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.342 -10.607 4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.175 -12.264 6.139 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.456 -13.112 8.690 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.926 -13.242 8.434 1.00 0.00 H new ATOM 959 N CYS A 68 -4.407 -11.407 1.868 1.00 0.00 N ATOM 960 CA CYS A 68 -4.856 -10.721 0.662 1.00 0.00 C ATOM 961 C CYS A 68 -5.897 -9.658 0.996 1.00 0.00 C ATOM 962 O CYS A 68 -6.757 -9.864 1.853 1.00 0.00 O ATOM 963 CB CYS A 68 -5.436 -11.725 -0.335 1.00 0.00 C ATOM 964 SG CYS A 68 -5.255 -11.235 -2.066 1.00 0.00 S ATOM 0 H CYS A 68 -5.161 -11.731 2.474 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.994 -10.229 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.949 -12.689 -0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.495 -11.867 -0.117 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.157 -12.297 -2.810 1.00 0.00 H new ATOM 970 N VAL A 69 -5.814 -8.520 0.315 1.00 0.00 N ATOM 971 CA VAL A 69 -6.749 -7.424 0.539 1.00 0.00 C ATOM 972 C VAL A 69 -7.589 -7.155 -0.704 1.00 0.00 C ATOM 973 O VAL A 69 -7.056 -6.974 -1.799 1.00 0.00 O ATOM 974 CB VAL A 69 -6.013 -6.131 0.937 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.001 -4.991 1.131 1.00 0.00 C ATOM 976 CG2 VAL A 69 -5.189 -6.353 2.197 1.00 0.00 C ATOM 0 H VAL A 69 -5.108 -8.333 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.403 -7.728 1.357 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.334 -5.858 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.462 -4.086 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.543 -4.817 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.707 -5.252 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.676 -5.429 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.846 -6.652 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.454 -7.138 2.017 1.00 0.00 H new ATOM 986 N ARG A 70 -8.906 -7.130 -0.527 1.00 0.00 N ATOM 987 CA ARG A 70 -9.821 -6.884 -1.635 1.00 0.00 C ATOM 988 C ARG A 70 -10.636 -5.616 -1.395 1.00 0.00 C ATOM 989 O ARG A 70 -11.375 -5.516 -0.416 1.00 0.00 O ATOM 990 CB ARG A 70 -10.759 -8.077 -1.824 1.00 0.00 C ATOM 991 CG ARG A 70 -11.528 -8.453 -0.568 1.00 0.00 C ATOM 992 CD ARG A 70 -12.420 -9.663 -0.801 1.00 0.00 C ATOM 993 NE ARG A 70 -13.725 -9.286 -1.336 1.00 0.00 N ATOM 994 CZ ARG A 70 -14.729 -10.141 -1.494 1.00 0.00 C ATOM 995 NH1 ARG A 70 -14.578 -11.416 -1.161 1.00 0.00 N ATOM 996 NH2 ARG A 70 -15.888 -9.722 -1.987 1.00 0.00 N ATOM 0 H ARG A 70 -9.363 -7.277 0.373 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.228 -6.749 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.469 -7.848 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.177 -8.937 -2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.827 -8.667 0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.136 -7.608 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.929 -10.348 -1.492 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.555 -10.200 0.138 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.874 -8.313 -1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.689 -11.742 -0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.351 -12.070 -1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.008 -8.743 -2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.658 -10.380 -2.108 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.495 -4.649 -2.296 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.216 -3.387 -2.183 1.00 0.00 C ATOM 1012 C PHE A 71 -11.267 -2.667 -3.527 1.00 0.00 C ATOM 1013 O PHE A 71 -10.564 -3.035 -4.468 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.554 -2.490 -1.135 1.00 0.00 C ATOM 1015 CG PHE A 71 -9.178 -2.031 -1.523 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -8.126 -2.931 -1.589 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -8.935 -0.699 -1.820 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -6.858 -2.512 -1.946 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -7.669 -0.275 -2.177 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.629 -1.182 -2.239 1.00 0.00 C ATOM 0 H PHE A 71 -9.888 -4.716 -3.113 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.237 -3.607 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -11.185 -1.618 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.495 -3.031 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.299 -3.972 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.744 0.015 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.047 -3.224 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.493 0.765 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.639 -0.852 -2.516 1.00 0.00 H new ATOM 1030 N VAL A 72 -12.104 -1.638 -3.609 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.248 -0.865 -4.837 1.00 0.00 C ATOM 1032 C VAL A 72 -11.562 0.492 -4.715 1.00 0.00 C ATOM 1033 O VAL A 72 -12.159 1.481 -4.290 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.730 -0.648 -5.194 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -13.875 -0.251 -6.655 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.539 -1.900 -4.890 1.00 0.00 C ATOM 0 H VAL A 72 -12.693 -1.320 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.772 -1.440 -5.631 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.118 0.166 -4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -14.929 -0.102 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.329 0.675 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.471 -1.041 -7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.584 -1.729 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.152 -2.734 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.461 -2.135 -3.828 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.278 0.542 -5.098 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.482 1.772 -5.042 1.00 0.00 C ATOM 1048 C PRO A 73 -9.932 2.800 -6.075 1.00 0.00 C ATOM 1049 O PRO A 73 -9.317 2.940 -7.132 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.062 1.290 -5.349 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.248 0.042 -6.141 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.503 -0.599 -5.614 1.00 0.00 C ATOM 0 HA PRO A 73 -9.576 2.276 -4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.504 2.037 -5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.503 1.098 -4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.340 0.264 -7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.392 -0.624 -6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.043 -1.130 -6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.285 -1.324 -4.830 1.00 0.00 H new ATOM 1060 N GLN A 74 -11.006 3.517 -5.761 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.537 4.532 -6.663 1.00 0.00 C ATOM 1062 C GLN A 74 -11.502 5.910 -6.012 1.00 0.00 C ATOM 1063 O GLN A 74 -12.218 6.168 -5.045 1.00 0.00 O ATOM 1064 CB GLN A 74 -12.969 4.183 -7.071 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.960 4.235 -5.919 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.256 3.515 -6.231 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.798 2.794 -5.392 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.763 3.706 -7.443 1.00 0.00 N ATOM 0 H GLN A 74 -11.525 3.414 -4.889 1.00 0.00 H new ATOM 0 HA GLN A 74 -10.909 4.555 -7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.294 4.872 -7.850 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.981 3.183 -7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.506 3.790 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.176 5.276 -5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.281 4.312 -8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.634 3.247 -7.710 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.664 6.792 -6.548 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.536 8.144 -6.018 1.00 0.00 C ATOM 1079 C GLU A 75 -10.369 9.158 -7.146 1.00 0.00 C ATOM 1080 O GLU A 75 -10.219 8.788 -8.310 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.346 8.229 -5.060 1.00 0.00 C ATOM 1082 CG GLU A 75 -9.356 9.473 -4.187 1.00 0.00 C ATOM 1083 CD GLU A 75 -10.737 9.804 -3.657 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -11.282 8.995 -2.876 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -11.275 10.869 -4.024 1.00 0.00 O ATOM 0 H GLU A 75 -10.064 6.594 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.450 8.381 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.341 7.346 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.422 8.208 -5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.674 9.329 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.980 10.319 -4.762 1.00 0.00 H new ATOM 1092 N MET A 76 -10.397 10.439 -6.792 1.00 0.00 N ATOM 1093 CA MET A 76 -10.247 11.506 -7.774 1.00 0.00 C ATOM 1094 C MET A 76 -8.786 11.923 -7.906 1.00 0.00 C ATOM 1095 O MET A 76 -8.477 12.964 -8.483 1.00 0.00 O ATOM 1096 CB MET A 76 -11.100 12.714 -7.380 1.00 0.00 C ATOM 1097 CG MET A 76 -12.588 12.411 -7.313 1.00 0.00 C ATOM 1098 SD MET A 76 -13.298 12.056 -8.932 1.00 0.00 S ATOM 1099 CE MET A 76 -14.721 11.072 -8.469 1.00 0.00 C ATOM 0 H MET A 76 -10.522 10.763 -5.833 1.00 0.00 H new ATOM 0 HA MET A 76 -10.587 11.128 -8.738 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.768 13.082 -6.409 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.933 13.516 -8.099 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.752 11.559 -6.654 1.00 0.00 H new ATOM 0 HG3 MET A 76 -13.108 13.261 -6.871 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.265 10.775 -9.366 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.389 10.182 -7.934 1.00 0.00 H new ATOM 0 HE3 MET A 76 -15.376 11.659 -7.825 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.890 11.101 -7.368 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.472 11.402 -7.436 1.00 0.00 C ATOM 1111 C GLY A 77 -5.607 10.196 -7.129 1.00 0.00 C ATOM 1112 O GLY A 77 -5.963 9.066 -7.465 1.00 0.00 O ATOM 0 H GLY A 77 -8.121 10.232 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.230 11.774 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.239 12.201 -6.732 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.467 10.434 -6.490 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.548 9.358 -6.138 1.00 0.00 C ATOM 1118 C VAL A 78 -4.020 8.619 -4.890 1.00 0.00 C ATOM 1119 O VAL A 78 -4.451 9.236 -3.916 1.00 0.00 O ATOM 1120 CB VAL A 78 -2.124 9.892 -5.897 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -2.142 11.022 -4.878 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.203 8.769 -5.443 1.00 0.00 C ATOM 0 H VAL A 78 -4.157 11.363 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.531 8.668 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.740 10.288 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.127 11.386 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.766 11.835 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.546 10.655 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.201 9.165 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.582 8.340 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.166 7.996 -6.211 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.935 7.293 -4.927 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.352 6.469 -3.798 1.00 0.00 C ATOM 1134 C HIS A 79 -3.158 6.105 -2.920 1.00 0.00 C ATOM 1135 O HIS A 79 -2.068 5.823 -3.420 1.00 0.00 O ATOM 1136 CB HIS A 79 -5.040 5.197 -4.296 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.189 5.460 -5.220 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.216 6.517 -6.105 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.354 4.794 -5.395 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.350 6.491 -6.783 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.058 5.455 -6.371 1.00 0.00 N ATOM 0 H HIS A 79 -3.581 6.766 -5.726 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.058 7.045 -3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.307 4.574 -4.809 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.397 4.627 -3.438 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.671 3.908 -4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.647 7.197 -7.544 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.978 5.189 -6.721 1.00 0.00 H new ATOM 1149 N THR A 80 -3.370 6.114 -1.608 1.00 0.00 N ATOM 1150 CA THR A 80 -2.312 5.788 -0.660 1.00 0.00 C ATOM 1151 C THR A 80 -2.812 4.827 0.412 1.00 0.00 C ATOM 1152 O THR A 80 -3.753 5.132 1.144 1.00 0.00 O ATOM 1153 CB THR A 80 -1.757 7.054 0.019 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.717 8.136 -0.918 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.361 6.804 0.571 1.00 0.00 C ATOM 0 H THR A 80 -4.266 6.344 -1.177 1.00 0.00 H new ATOM 0 HA THR A 80 -1.514 5.310 -1.228 1.00 0.00 H new ATOM 0 HB THR A 80 -2.417 7.314 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.365 8.937 -0.478 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.010 7.712 1.046 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.399 6.000 1.306 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.307 6.521 -0.243 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.175 3.663 0.500 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.554 2.657 1.485 1.00 0.00 C ATOM 1165 C VAL A 81 -1.595 2.661 2.671 1.00 0.00 C ATOM 1166 O VAL A 81 -0.415 2.342 2.529 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.582 1.248 0.866 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -3.416 0.305 1.720 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -3.115 1.302 -0.558 1.00 0.00 C ATOM 0 H VAL A 81 -1.394 3.394 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.556 2.913 1.830 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.562 0.865 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.424 -0.686 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.986 0.243 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.437 0.681 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.128 0.297 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.127 1.706 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.472 1.941 -1.163 1.00 0.00 H new ATOM 1179 N SER A 82 -2.111 3.022 3.841 1.00 0.00 N ATOM 1180 CA SER A 82 -1.301 3.070 5.052 1.00 0.00 C ATOM 1181 C SER A 82 -1.376 1.748 5.809 1.00 0.00 C ATOM 1182 O SER A 82 -2.299 1.517 6.590 1.00 0.00 O ATOM 1183 CB SER A 82 -1.763 4.215 5.956 1.00 0.00 C ATOM 1184 OG SER A 82 -1.333 5.468 5.452 1.00 0.00 O ATOM 0 H SER A 82 -3.087 3.286 3.976 1.00 0.00 H new ATOM 0 HA SER A 82 -0.265 3.243 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.850 4.205 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.370 4.070 6.962 1.00 0.00 H new ATOM 0 HG SER A 82 -1.642 6.183 6.046 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.396 0.881 5.572 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.349 -0.419 6.231 1.00 0.00 C ATOM 1192 C VAL A 83 0.632 -0.408 7.398 1.00 0.00 C ATOM 1193 O VAL A 83 1.847 -0.441 7.202 1.00 0.00 O ATOM 1194 CB VAL A 83 0.053 -1.533 5.247 1.00 0.00 C ATOM 1195 CG1 VAL A 83 0.226 -2.855 5.978 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -0.979 -1.660 4.136 1.00 0.00 C ATOM 0 H VAL A 83 0.376 1.056 4.929 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.353 -0.621 6.606 1.00 0.00 H new ATOM 0 HB VAL A 83 1.009 -1.267 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.510 -3.630 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.005 -2.754 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.713 -3.130 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.679 -2.452 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.950 -1.902 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.048 -0.717 3.594 1.00 0.00 H new ATOM 1206 N LYS A 84 0.097 -0.362 8.613 1.00 0.00 N ATOM 1207 CA LYS A 84 0.925 -0.349 9.814 1.00 0.00 C ATOM 1208 C LYS A 84 0.704 -1.612 10.640 1.00 0.00 C ATOM 1209 O LYS A 84 -0.382 -2.193 10.626 1.00 0.00 O ATOM 1210 CB LYS A 84 0.613 0.888 10.659 1.00 0.00 C ATOM 1211 CG LYS A 84 1.234 2.165 10.121 1.00 0.00 C ATOM 1212 CD LYS A 84 0.875 3.365 10.981 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.422 4.012 10.521 1.00 0.00 C ATOM 1214 NZ LYS A 84 -0.613 5.361 11.122 1.00 0.00 N ATOM 0 H LYS A 84 -0.907 -0.333 8.793 1.00 0.00 H new ATOM 0 HA LYS A 84 1.970 -0.316 9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.468 1.016 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.968 0.722 11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.318 2.055 10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.894 2.334 9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.778 3.053 12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.682 4.097 10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.421 4.096 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.262 3.372 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.508 5.768 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.640 5.279 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.176 5.980 10.844 1.00 0.00 H new ATOM 1228 N TYR A 85 1.739 -2.031 11.360 1.00 0.00 N ATOM 1229 CA TYR A 85 1.658 -3.225 12.192 1.00 0.00 C ATOM 1230 C TYR A 85 1.821 -2.873 13.668 1.00 0.00 C ATOM 1231 O TYR A 85 2.920 -2.561 14.125 1.00 0.00 O ATOM 1232 CB TYR A 85 2.728 -4.236 11.776 1.00 0.00 C ATOM 1233 CG TYR A 85 2.983 -5.308 12.811 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.944 -6.091 13.299 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.263 -5.539 13.301 1.00 0.00 C ATOM 1236 CE1 TYR A 85 2.172 -7.072 14.245 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.500 -6.518 14.246 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.452 -7.282 14.715 1.00 0.00 C ATOM 1239 OH TYR A 85 3.684 -8.258 15.657 1.00 0.00 O ATOM 0 H TYR A 85 2.644 -1.561 11.384 1.00 0.00 H new ATOM 0 HA TYR A 85 0.673 -3.670 12.050 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.425 -4.709 10.842 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.659 -3.706 11.577 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.941 -5.930 12.933 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.086 -4.943 12.937 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.353 -7.671 14.614 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.501 -6.684 14.616 1.00 0.00 H new ATOM 0 HH TYR A 85 4.638 -8.277 15.880 1.00 0.00 H new ATOM 1249 N ARG A 86 0.718 -2.928 14.407 1.00 0.00 N ATOM 1250 CA ARG A 86 0.737 -2.614 15.831 1.00 0.00 C ATOM 1251 C ARG A 86 1.317 -1.224 16.074 1.00 0.00 C ATOM 1252 O ARG A 86 1.895 -0.957 17.127 1.00 0.00 O ATOM 1253 CB ARG A 86 1.553 -3.660 16.594 1.00 0.00 C ATOM 1254 CG ARG A 86 0.898 -5.031 16.637 1.00 0.00 C ATOM 1255 CD ARG A 86 1.790 -6.053 17.325 1.00 0.00 C ATOM 1256 NE ARG A 86 1.872 -5.827 18.765 1.00 0.00 N ATOM 1257 CZ ARG A 86 2.725 -4.979 19.329 1.00 0.00 C ATOM 1258 NH1 ARG A 86 3.564 -4.280 18.578 1.00 0.00 N ATOM 1259 NH2 ARG A 86 2.739 -4.828 20.647 1.00 0.00 N ATOM 0 H ARG A 86 -0.199 -3.187 14.044 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.290 -2.628 16.195 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.536 -3.751 16.131 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.712 -3.311 17.614 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.054 -4.964 17.164 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.678 -5.363 15.622 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.405 -7.055 17.137 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.790 -6.010 16.894 1.00 0.00 H new ATOM 0 HE ARG A 86 1.239 -6.349 19.371 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.556 -4.392 17.564 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.218 -3.630 19.014 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.094 -5.363 21.229 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.394 -4.177 21.079 1.00 0.00 H new ATOM 1273 N GLY A 87 1.158 -0.342 15.092 1.00 0.00 N ATOM 1274 CA GLY A 87 1.671 1.010 15.219 1.00 0.00 C ATOM 1275 C GLY A 87 3.071 1.153 14.656 1.00 0.00 C ATOM 1276 O GLY A 87 3.920 1.817 15.250 1.00 0.00 O ATOM 0 H GLY A 87 0.683 -0.539 14.211 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.003 1.699 14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.674 1.297 16.271 1.00 0.00 H new ATOM 1280 N GLN A 88 3.313 0.528 13.508 1.00 0.00 N ATOM 1281 CA GLN A 88 4.621 0.587 12.867 1.00 0.00 C ATOM 1282 C GLN A 88 4.517 0.241 11.385 1.00 0.00 C ATOM 1283 O GLN A 88 4.262 -0.908 11.022 1.00 0.00 O ATOM 1284 CB GLN A 88 5.596 -0.368 13.559 1.00 0.00 C ATOM 1285 CG GLN A 88 6.030 0.100 14.938 1.00 0.00 C ATOM 1286 CD GLN A 88 7.351 -0.504 15.371 1.00 0.00 C ATOM 1287 OE1 GLN A 88 7.788 -1.521 14.830 1.00 0.00 O ATOM 1288 NE2 GLN A 88 7.995 0.119 16.350 1.00 0.00 N ATOM 0 H GLN A 88 2.620 -0.025 13.003 1.00 0.00 H new ATOM 0 HA GLN A 88 4.996 1.606 12.958 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.129 -1.349 13.648 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.479 -0.490 12.931 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.114 1.187 14.939 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.260 -0.160 15.665 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.596 0.959 16.769 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.889 -0.242 16.683 1.00 0.00 H new ATOM 1297 N HIS A 89 4.716 1.242 10.534 1.00 0.00 N ATOM 1298 CA HIS A 89 4.645 1.043 9.090 1.00 0.00 C ATOM 1299 C HIS A 89 5.638 -0.024 8.639 1.00 0.00 C ATOM 1300 O HIS A 89 6.792 -0.033 9.067 1.00 0.00 O ATOM 1301 CB HIS A 89 4.924 2.357 8.359 1.00 0.00 C ATOM 1302 CG HIS A 89 3.741 3.274 8.303 1.00 0.00 C ATOM 1303 ND1 HIS A 89 2.812 3.243 7.285 1.00 0.00 N ATOM 1304 CD2 HIS A 89 3.337 4.251 9.149 1.00 0.00 C ATOM 1305 CE1 HIS A 89 1.889 4.162 7.505 1.00 0.00 C ATOM 1306 NE2 HIS A 89 2.184 4.787 8.631 1.00 0.00 N ATOM 0 H HIS A 89 4.928 2.198 10.818 1.00 0.00 H new ATOM 0 HA HIS A 89 3.638 0.705 8.844 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.748 2.871 8.854 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.250 2.136 7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.830 4.553 10.061 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.038 4.367 6.872 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.643 5.545 9.048 1.00 0.00 H new ATOM 1314 N VAL A 90 5.180 -0.923 7.774 1.00 0.00 N ATOM 1315 CA VAL A 90 6.027 -1.995 7.264 1.00 0.00 C ATOM 1316 C VAL A 90 6.823 -1.535 6.048 1.00 0.00 C ATOM 1317 O VAL A 90 6.759 -0.370 5.653 1.00 0.00 O ATOM 1318 CB VAL A 90 5.196 -3.234 6.882 1.00 0.00 C ATOM 1319 CG1 VAL A 90 4.622 -3.896 8.126 1.00 0.00 C ATOM 1320 CG2 VAL A 90 4.089 -2.854 5.911 1.00 0.00 C ATOM 0 H VAL A 90 4.227 -0.930 7.411 1.00 0.00 H new ATOM 0 HA VAL A 90 6.716 -2.262 8.065 1.00 0.00 H new ATOM 0 HB VAL A 90 5.851 -3.951 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.038 -4.770 7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.436 -4.205 8.782 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.981 -3.189 8.652 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.512 -3.742 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.433 -2.118 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.527 -2.430 5.008 1.00 0.00 H new ATOM 1330 N THR A 91 7.574 -2.458 5.455 1.00 0.00 N ATOM 1331 CA THR A 91 8.384 -2.149 4.284 1.00 0.00 C ATOM 1332 C THR A 91 7.507 -1.809 3.084 1.00 0.00 C ATOM 1333 O THR A 91 6.648 -2.595 2.688 1.00 0.00 O ATOM 1334 CB THR A 91 9.308 -3.324 3.913 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.956 -3.826 5.087 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.353 -2.890 2.897 1.00 0.00 C ATOM 0 H THR A 91 7.638 -3.427 5.767 1.00 0.00 H new ATOM 0 HA THR A 91 8.995 -1.284 4.542 1.00 0.00 H new ATOM 0 HB THR A 91 8.699 -4.112 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.540 -4.574 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.994 -3.736 2.650 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.857 -2.535 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.958 -2.087 3.318 1.00 0.00 H new ATOM 1344 N GLY A 92 7.730 -0.631 2.509 1.00 0.00 N ATOM 1345 CA GLY A 92 6.952 -0.208 1.359 1.00 0.00 C ATOM 1346 C GLY A 92 5.695 0.542 1.753 1.00 0.00 C ATOM 1347 O GLY A 92 4.792 0.726 0.937 1.00 0.00 O ATOM 0 H GLY A 92 8.435 0.038 2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.567 0.429 0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.679 -1.082 0.767 1.00 0.00 H new ATOM 1351 N SER A 93 5.635 0.974 3.009 1.00 0.00 N ATOM 1352 CA SER A 93 4.476 1.703 3.512 1.00 0.00 C ATOM 1353 C SER A 93 4.862 3.121 3.921 1.00 0.00 C ATOM 1354 O SER A 93 5.942 3.367 4.459 1.00 0.00 O ATOM 1355 CB SER A 93 3.861 0.966 4.703 1.00 0.00 C ATOM 1356 OG SER A 93 2.463 1.184 4.771 1.00 0.00 O ATOM 0 H SER A 93 6.375 0.832 3.697 1.00 0.00 H new ATOM 0 HA SER A 93 3.739 1.762 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.062 -0.102 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.330 1.305 5.626 1.00 0.00 H new ATOM 0 HG SER A 93 2.266 1.824 5.487 1.00 0.00 H new ATOM 1362 N PRO A 94 3.959 4.078 3.660 1.00 0.00 N ATOM 1363 CA PRO A 94 2.671 3.797 3.020 1.00 0.00 C ATOM 1364 C PRO A 94 2.825 3.406 1.554 1.00 0.00 C ATOM 1365 O PRO A 94 3.772 3.823 0.887 1.00 0.00 O ATOM 1366 CB PRO A 94 1.917 5.123 3.143 1.00 0.00 C ATOM 1367 CG PRO A 94 2.984 6.158 3.241 1.00 0.00 C ATOM 1368 CD PRO A 94 4.126 5.508 3.970 1.00 0.00 C ATOM 0 HA PRO A 94 2.159 2.955 3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.276 5.296 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.274 5.133 4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.294 6.494 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.627 7.036 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.089 5.884 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.076 5.695 5.043 1.00 0.00 H new ATOM 1376 N PHE A 95 1.889 2.604 1.058 1.00 0.00 N ATOM 1377 CA PHE A 95 1.921 2.157 -0.329 1.00 0.00 C ATOM 1378 C PHE A 95 1.255 3.179 -1.246 1.00 0.00 C ATOM 1379 O PHE A 95 0.145 3.638 -0.976 1.00 0.00 O ATOM 1380 CB PHE A 95 1.226 0.801 -0.467 1.00 0.00 C ATOM 1381 CG PHE A 95 1.930 -0.310 0.258 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.078 -0.880 -0.269 1.00 0.00 C ATOM 1383 CD2 PHE A 95 1.444 -0.785 1.465 1.00 0.00 C ATOM 1384 CE1 PHE A 95 3.728 -1.902 0.396 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.090 -1.807 2.134 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.233 -2.367 1.598 1.00 0.00 C ATOM 0 H PHE A 95 1.098 2.250 1.597 1.00 0.00 H new ATOM 0 HA PHE A 95 2.964 2.054 -0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.207 0.883 -0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.153 0.545 -1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.469 -0.521 -1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.550 -0.352 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.623 -2.337 -0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.701 -2.167 3.075 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.739 -3.167 2.118 1.00 0.00 H new ATOM 1396 N GLN A 96 1.940 3.530 -2.329 1.00 0.00 N ATOM 1397 CA GLN A 96 1.415 4.498 -3.285 1.00 0.00 C ATOM 1398 C GLN A 96 1.345 3.898 -4.685 1.00 0.00 C ATOM 1399 O GLN A 96 2.313 3.310 -5.169 1.00 0.00 O ATOM 1400 CB GLN A 96 2.286 5.756 -3.299 1.00 0.00 C ATOM 1401 CG GLN A 96 1.843 6.813 -2.301 1.00 0.00 C ATOM 1402 CD GLN A 96 2.835 7.953 -2.179 1.00 0.00 C ATOM 1403 OE1 GLN A 96 4.018 7.736 -1.913 1.00 0.00 O ATOM 1404 NE2 GLN A 96 2.358 9.177 -2.375 1.00 0.00 N ATOM 0 H GLN A 96 2.860 3.159 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 96 0.405 4.767 -2.974 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.318 5.476 -3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.273 6.186 -4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.874 7.210 -2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.706 6.350 -1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.371 9.311 -2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.979 9.983 -2.307 1.00 0.00 H new ATOM 1413 N PHE A 97 0.194 4.049 -5.331 1.00 0.00 N ATOM 1414 CA PHE A 97 -0.003 3.520 -6.676 1.00 0.00 C ATOM 1415 C PHE A 97 -1.050 4.334 -7.432 1.00 0.00 C ATOM 1416 O PHE A 97 -1.991 4.862 -6.839 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.429 2.052 -6.613 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.711 1.832 -5.860 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -2.921 2.253 -6.388 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -1.705 1.205 -4.625 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -4.101 2.051 -5.699 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -2.882 1.001 -3.931 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.082 1.425 -4.468 1.00 0.00 C ATOM 0 H PHE A 97 -0.617 4.533 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 97 0.944 3.593 -7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.543 1.671 -7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.364 1.472 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.942 2.745 -7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.770 0.872 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.038 2.382 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.864 0.510 -2.969 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.003 1.267 -3.927 1.00 0.00 H new ATOM 1433 N THR A 98 -0.878 4.431 -8.747 1.00 0.00 N ATOM 1434 CA THR A 98 -1.805 5.181 -9.585 1.00 0.00 C ATOM 1435 C THR A 98 -2.844 4.260 -10.216 1.00 0.00 C ATOM 1436 O THR A 98 -2.500 3.268 -10.859 1.00 0.00 O ATOM 1437 CB THR A 98 -1.065 5.941 -10.701 1.00 0.00 C ATOM 1438 OG1 THR A 98 -0.027 6.750 -10.137 1.00 0.00 O ATOM 1439 CG2 THR A 98 -2.027 6.818 -11.488 1.00 0.00 C ATOM 0 H THR A 98 -0.105 3.999 -9.254 1.00 0.00 H new ATOM 0 HA THR A 98 -2.306 5.900 -8.937 1.00 0.00 H new ATOM 0 HB THR A 98 -0.627 5.209 -11.380 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.440 7.229 -10.853 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.481 7.345 -12.271 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.800 6.196 -11.940 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.490 7.542 -10.818 1.00 0.00 H new ATOM 1447 N VAL A 99 -4.117 4.595 -10.028 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.206 3.798 -10.581 1.00 0.00 C ATOM 1449 C VAL A 99 -5.648 4.338 -11.936 1.00 0.00 C ATOM 1450 O VAL A 99 -5.604 5.543 -12.181 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.418 3.770 -9.632 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.378 2.658 -10.024 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.961 3.607 -8.190 1.00 0.00 C ATOM 0 H VAL A 99 -4.419 5.412 -9.497 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.826 2.784 -10.703 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.946 4.720 -9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.228 2.654 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.730 2.824 -11.042 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.865 1.698 -9.969 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.830 3.589 -7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.409 2.673 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.316 4.442 -7.916 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.076 3.437 -12.816 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.521 3.842 -14.136 1.00 0.00 C ATOM 1465 C GLY A 100 -7.851 3.221 -14.515 1.00 0.00 C ATOM 1466 O GLY A 100 -8.206 2.135 -14.058 1.00 0.00 O ATOM 0 H GLY A 100 -6.122 2.434 -12.638 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.608 4.928 -14.169 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.769 3.560 -14.872 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.613 3.921 -15.369 1.00 0.00 N ATOM 1471 CA PRO A 101 -9.924 3.452 -15.827 1.00 0.00 C ATOM 1472 C PRO A 101 -9.817 2.248 -16.756 1.00 0.00 C ATOM 1473 O PRO A 101 -8.727 1.894 -17.206 1.00 0.00 O ATOM 1474 CB PRO A 101 -10.490 4.660 -16.579 1.00 0.00 C ATOM 1475 CG PRO A 101 -9.291 5.426 -17.022 1.00 0.00 C ATOM 1476 CD PRO A 101 -8.253 5.224 -15.953 1.00 0.00 C ATOM 0 HA PRO A 101 -10.549 3.117 -14.999 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.097 4.348 -17.429 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.130 5.263 -15.935 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.933 5.067 -17.987 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.526 6.483 -17.143 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.245 5.213 -16.368 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.283 6.020 -15.209 1.00 0.00 H new ATOM 1484 N LEU A 102 -10.955 1.624 -17.040 1.00 0.00 N ATOM 1485 CA LEU A 102 -10.989 0.459 -17.918 1.00 0.00 C ATOM 1486 C LEU A 102 -11.314 0.866 -19.351 1.00 0.00 C ATOM 1487 O LEU A 102 -11.937 1.900 -19.588 1.00 0.00 O ATOM 1488 CB LEU A 102 -12.022 -0.552 -17.416 1.00 0.00 C ATOM 1489 CG LEU A 102 -11.801 -2.004 -17.840 1.00 0.00 C ATOM 1490 CD1 LEU A 102 -10.600 -2.595 -17.117 1.00 0.00 C ATOM 1491 CD2 LEU A 102 -13.048 -2.834 -17.572 1.00 0.00 C ATOM 0 H LEU A 102 -11.865 1.905 -16.676 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.002 -0.003 -17.907 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.041 -0.511 -16.327 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.006 -0.239 -17.764 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.600 -2.022 -18.911 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.458 -3.629 -17.432 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.709 -2.017 -17.360 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.771 -2.563 -16.041 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.872 -3.865 -17.880 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.280 -2.808 -16.507 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.886 -2.425 -18.136 1.00 0.00 H new ATOM 1503 N GLY A 103 -10.888 0.043 -20.306 1.00 0.00 N ATOM 1504 CA GLY A 103 -11.145 0.334 -21.704 1.00 0.00 C ATOM 1505 C GLY A 103 -10.907 -0.866 -22.599 1.00 0.00 C ATOM 1506 O GLY A 103 -9.762 -1.239 -22.854 1.00 0.00 O ATOM 0 H GLY A 103 -10.370 -0.819 -20.136 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.176 0.670 -21.819 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.504 1.155 -22.025 1.00 0.00 H new ATOM 1510 N GLU A 104 -11.990 -1.472 -23.075 1.00 0.00 N ATOM 1511 CA GLU A 104 -11.892 -2.639 -23.944 1.00 0.00 C ATOM 1512 C GLU A 104 -12.607 -2.391 -25.270 1.00 0.00 C ATOM 1513 O GLU A 104 -13.835 -2.365 -25.329 1.00 0.00 O ATOM 1514 CB GLU A 104 -12.485 -3.869 -23.254 1.00 0.00 C ATOM 1515 CG GLU A 104 -11.587 -4.456 -22.179 1.00 0.00 C ATOM 1516 CD GLU A 104 -10.364 -5.145 -22.753 1.00 0.00 C ATOM 1517 OE1 GLU A 104 -10.521 -5.929 -23.712 1.00 0.00 O ATOM 1518 OE2 GLU A 104 -9.250 -4.900 -22.243 1.00 0.00 O ATOM 0 H GLU A 104 -12.945 -1.175 -22.874 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.837 -2.820 -24.148 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.442 -3.599 -22.808 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.687 -4.634 -24.004 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.269 -3.662 -21.503 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.157 -5.171 -21.585 1.00 0.00 H new ATOM 1525 N GLY A 105 -11.827 -2.210 -26.331 1.00 0.00 N ATOM 1526 CA GLY A 105 -12.402 -1.966 -27.641 1.00 0.00 C ATOM 1527 C GLY A 105 -12.892 -3.238 -28.305 1.00 0.00 C ATOM 1528 O GLY A 105 -14.066 -3.588 -28.201 1.00 0.00 O ATOM 0 H GLY A 105 -10.807 -2.228 -26.307 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.232 -1.267 -27.545 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.657 -1.491 -28.279 1.00 0.00 H new ATOM 1532 N GLY A 106 -11.988 -3.930 -28.992 1.00 0.00 N ATOM 1533 CA GLY A 106 -12.354 -5.162 -29.667 1.00 0.00 C ATOM 1534 C GLY A 106 -13.740 -5.098 -30.278 1.00 0.00 C ATOM 1535 O GLY A 106 -14.619 -5.884 -29.924 1.00 0.00 O ATOM 0 H GLY A 106 -11.010 -3.660 -29.093 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.625 -5.375 -30.449 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.311 -5.988 -28.957 1.00 0.00 H new TER 1539 GLY A 106