USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 930 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 87 THR OG1 : rot 180:sc= 1.03 USER MOD Set 1.2: A 92 TYR OH : rot 40:sc= 1.25 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= -0.238 USER MOD Set 2.2: A 40 ASN : amide:sc= -0.0819 X(o=-0.32,f=-0.8) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0944 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.00949 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -59:sc= 0.341 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -42:sc= 1.07 USER MOD Single : A 20 SER OG : rot 180:sc= -0.217 USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= -0.874 (180deg=-2.93!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= -0.199 (180deg=-0.94) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.977 USER MOD Single : A 42 GLN : amide:sc= -0.295 K(o=-0.29,f=-3.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.24) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 54 TYR OH : rot -130:sc= -1.17! USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0783 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.00174 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.735 K(o=-0.74,f=0.011) USER MOD Single : A 67 HIS : no HD1:sc= -3.23 X(o=-3.2,f=-3.3!) USER MOD Single : A 77 ASN : amide:sc= -2.62 K(o=-2.6,f=-4.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 81 HIS : no HD1:sc= 0.656 K(o=0.66,f=-3.4!) USER MOD Single : A 82 GLN : amide:sc= -0.185 K(o=-0.19,f=-2!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 74:sc= 0.2 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -5.6! C(o=-5.6!,f=-9.5!) USER MOD Single : A 100 ASN : amide:sc= -1.33 K(o=-1.3,f=-10!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.441 USER MOD Single : A 102 LYS NZ :NH3+ 143:sc= -0.718 (180deg=-2.21!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -113:sc= -1 (180deg=-2.83!) USER MOD Single : A 108 SER OG : rot 180:sc= -0.835! USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 115 THR OG1 : rot -89:sc= 0.0709 USER MOD Single : A 117 LYS NZ :NH3+ -124:sc=-0.00877 (180deg=-0.883) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 123 SER OG : rot -2:sc= 0.68 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -53.544 8.619 13.867 1.00 0.00 N ATOM 2 CA GLY A 1 -52.189 8.423 13.385 1.00 0.00 C ATOM 3 C GLY A 1 -51.782 6.963 13.376 1.00 0.00 C ATOM 4 O GLY A 1 -52.590 6.085 13.676 1.00 0.00 O ATOM 0 H1 GLY A 1 -54.105 9.103 13.138 1.00 0.00 H new ATOM 0 H2 GLY A 1 -53.974 7.696 14.079 1.00 0.00 H new ATOM 0 H3 GLY A 1 -53.525 9.198 14.730 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -52.104 8.827 12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -51.498 8.986 14.013 1.00 0.00 H new ATOM 8 N SER A 2 -50.525 6.703 13.030 1.00 0.00 N ATOM 9 CA SER A 2 -50.013 5.339 12.977 1.00 0.00 C ATOM 10 C SER A 2 -48.590 5.271 13.522 1.00 0.00 C ATOM 11 O SER A 2 -47.942 6.298 13.726 1.00 0.00 O ATOM 12 CB SER A 2 -50.048 4.813 11.541 1.00 0.00 C ATOM 13 OG SER A 2 -51.356 4.410 11.176 1.00 0.00 O ATOM 0 H SER A 2 -49.843 7.419 12.782 1.00 0.00 H new ATOM 0 HA SER A 2 -50.652 4.713 13.600 1.00 0.00 H new ATOM 0 HB2 SER A 2 -49.699 5.588 10.858 1.00 0.00 H new ATOM 0 HB3 SER A 2 -49.364 3.970 11.443 1.00 0.00 H new ATOM 0 HG SER A 2 -52.000 4.766 11.822 1.00 0.00 H new ATOM 19 N SER A 3 -48.109 4.054 13.755 1.00 0.00 N ATOM 20 CA SER A 3 -46.764 3.851 14.279 1.00 0.00 C ATOM 21 C SER A 3 -46.144 2.579 13.707 1.00 0.00 C ATOM 22 O SER A 3 -46.838 1.594 13.460 1.00 0.00 O ATOM 23 CB SER A 3 -46.796 3.773 15.807 1.00 0.00 C ATOM 24 OG SER A 3 -47.709 2.783 16.248 1.00 0.00 O ATOM 0 H SER A 3 -48.631 3.194 13.589 1.00 0.00 H new ATOM 0 HA SER A 3 -46.151 4.701 13.978 1.00 0.00 H new ATOM 0 HB2 SER A 3 -45.799 3.546 16.184 1.00 0.00 H new ATOM 0 HB3 SER A 3 -47.079 4.742 16.218 1.00 0.00 H new ATOM 0 HG SER A 3 -47.710 2.752 17.227 1.00 0.00 H new ATOM 30 N GLY A 4 -44.831 2.611 13.497 1.00 0.00 N ATOM 31 CA GLY A 4 -44.139 1.457 12.956 1.00 0.00 C ATOM 32 C GLY A 4 -43.847 0.408 14.010 1.00 0.00 C ATOM 33 O GLY A 4 -44.293 -0.734 13.900 1.00 0.00 O ATOM 0 H GLY A 4 -44.235 3.416 13.692 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -44.743 1.014 12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -43.203 1.780 12.500 1.00 0.00 H new ATOM 37 N SER A 5 -43.095 0.795 15.035 1.00 0.00 N ATOM 38 CA SER A 5 -42.739 -0.122 16.112 1.00 0.00 C ATOM 39 C SER A 5 -42.143 -1.411 15.553 1.00 0.00 C ATOM 40 O SER A 5 -42.496 -2.509 15.983 1.00 0.00 O ATOM 41 CB SER A 5 -43.969 -0.444 16.964 1.00 0.00 C ATOM 42 OG SER A 5 -43.609 -1.179 18.121 1.00 0.00 O ATOM 0 H SER A 5 -42.720 1.738 15.143 1.00 0.00 H new ATOM 0 HA SER A 5 -41.990 0.364 16.737 1.00 0.00 H new ATOM 0 HB2 SER A 5 -44.465 0.481 17.257 1.00 0.00 H new ATOM 0 HB3 SER A 5 -44.685 -1.016 16.374 1.00 0.00 H new ATOM 0 HG SER A 5 -43.166 -2.012 17.855 1.00 0.00 H new ATOM 48 N SER A 6 -41.236 -1.267 14.592 1.00 0.00 N ATOM 49 CA SER A 6 -40.592 -2.419 13.970 1.00 0.00 C ATOM 50 C SER A 6 -39.131 -2.521 14.397 1.00 0.00 C ATOM 51 O SER A 6 -38.667 -3.581 14.813 1.00 0.00 O ATOM 52 CB SER A 6 -40.685 -2.320 12.446 1.00 0.00 C ATOM 53 OG SER A 6 -42.000 -2.595 11.996 1.00 0.00 O ATOM 0 H SER A 6 -40.930 -0.365 14.227 1.00 0.00 H new ATOM 0 HA SER A 6 -41.112 -3.318 14.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 -40.389 -1.321 12.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 -39.987 -3.022 11.990 1.00 0.00 H new ATOM 0 HG SER A 6 -42.033 -2.523 11.019 1.00 0.00 H new ATOM 59 N GLY A 7 -38.411 -1.408 14.290 1.00 0.00 N ATOM 60 CA GLY A 7 -37.010 -1.392 14.668 1.00 0.00 C ATOM 61 C GLY A 7 -36.145 -0.665 13.657 1.00 0.00 C ATOM 62 O GLY A 7 -36.572 -0.412 12.530 1.00 0.00 O ATOM 0 H GLY A 7 -38.773 -0.518 13.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -36.905 -0.914 15.642 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -36.654 -2.417 14.776 1.00 0.00 H new ATOM 66 N THR A 8 -34.925 -0.325 14.060 1.00 0.00 N ATOM 67 CA THR A 8 -33.999 0.380 13.183 1.00 0.00 C ATOM 68 C THR A 8 -33.794 -0.378 11.877 1.00 0.00 C ATOM 69 O THR A 8 -33.783 -1.608 11.857 1.00 0.00 O ATOM 70 CB THR A 8 -32.632 0.590 13.862 1.00 0.00 C ATOM 71 OG1 THR A 8 -32.035 -0.677 14.164 1.00 0.00 O ATOM 72 CG2 THR A 8 -32.780 1.403 15.139 1.00 0.00 C ATOM 0 H THR A 8 -34.555 -0.527 14.989 1.00 0.00 H new ATOM 0 HA THR A 8 -34.443 1.352 12.970 1.00 0.00 H new ATOM 0 HB THR A 8 -31.990 1.139 13.173 1.00 0.00 H new ATOM 0 HG1 THR A 8 -31.166 -0.535 14.594 1.00 0.00 H new ATOM 0 HG21 THR A 8 -31.802 1.538 15.600 1.00 0.00 H new ATOM 0 HG22 THR A 8 -33.207 2.378 14.902 1.00 0.00 H new ATOM 0 HG23 THR A 8 -33.438 0.877 15.831 1.00 0.00 H new ATOM 80 N ALA A 9 -33.631 0.365 10.787 1.00 0.00 N ATOM 81 CA ALA A 9 -33.424 -0.237 9.476 1.00 0.00 C ATOM 82 C ALA A 9 -31.995 -0.749 9.326 1.00 0.00 C ATOM 83 O ALA A 9 -31.134 -0.062 8.775 1.00 0.00 O ATOM 84 CB ALA A 9 -33.745 0.765 8.377 1.00 0.00 C ATOM 0 H ALA A 9 -33.638 1.385 10.786 1.00 0.00 H new ATOM 0 HA ALA A 9 -34.099 -1.088 9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -33.586 0.301 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -34.785 1.079 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -33.094 1.634 8.476 1.00 0.00 H new ATOM 90 N HIS A 10 -31.749 -1.958 9.821 1.00 0.00 N ATOM 91 CA HIS A 10 -30.424 -2.561 9.742 1.00 0.00 C ATOM 92 C HIS A 10 -30.508 -4.078 9.878 1.00 0.00 C ATOM 93 O HIS A 10 -31.502 -4.613 10.368 1.00 0.00 O ATOM 94 CB HIS A 10 -29.515 -1.990 10.830 1.00 0.00 C ATOM 95 CG HIS A 10 -28.094 -2.453 10.728 1.00 0.00 C ATOM 96 ND1 HIS A 10 -27.407 -2.514 9.535 1.00 0.00 N ATOM 97 CD2 HIS A 10 -27.230 -2.876 11.681 1.00 0.00 C ATOM 98 CE1 HIS A 10 -26.182 -2.957 9.757 1.00 0.00 C ATOM 99 NE2 HIS A 10 -26.049 -3.184 11.051 1.00 0.00 N ATOM 0 H HIS A 10 -32.450 -2.539 10.281 1.00 0.00 H new ATOM 0 HA HIS A 10 -30.002 -2.324 8.765 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -29.538 -0.902 10.777 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -29.911 -2.270 11.806 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -27.432 -2.956 12.739 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -25.419 -3.108 9.007 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -25.206 -3.532 11.508 1.00 0.00 H new ATOM 108 N GLY A 11 -29.458 -4.767 9.440 1.00 0.00 N ATOM 109 CA GLY A 11 -29.435 -6.216 9.521 1.00 0.00 C ATOM 110 C GLY A 11 -29.136 -6.866 8.185 1.00 0.00 C ATOM 111 O GLY A 11 -27.987 -7.199 7.890 1.00 0.00 O ATOM 0 H GLY A 11 -28.623 -4.347 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -28.684 -6.524 10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -30.398 -6.572 9.887 1.00 0.00 H new ATOM 115 N THR A 12 -30.172 -7.051 7.373 1.00 0.00 N ATOM 116 CA THR A 12 -30.016 -7.668 6.062 1.00 0.00 C ATOM 117 C THR A 12 -29.906 -6.614 4.967 1.00 0.00 C ATOM 118 O THR A 12 -30.915 -6.149 4.434 1.00 0.00 O ATOM 119 CB THR A 12 -31.194 -8.607 5.739 1.00 0.00 C ATOM 120 OG1 THR A 12 -31.306 -9.617 6.748 1.00 0.00 O ATOM 121 CG2 THR A 12 -31.008 -9.260 4.378 1.00 0.00 C ATOM 0 H THR A 12 -31.129 -6.782 7.601 1.00 0.00 H new ATOM 0 HA THR A 12 -29.095 -8.250 6.095 1.00 0.00 H new ATOM 0 HB THR A 12 -32.108 -8.013 5.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 -32.058 -10.209 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 12 -31.852 -9.918 4.172 1.00 0.00 H new ATOM 0 HG22 THR A 12 -30.953 -8.489 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 12 -30.086 -9.841 4.376 1.00 0.00 H new ATOM 129 N THR A 13 -28.675 -6.240 4.633 1.00 0.00 N ATOM 130 CA THR A 13 -28.433 -5.239 3.601 1.00 0.00 C ATOM 131 C THR A 13 -27.933 -5.886 2.315 1.00 0.00 C ATOM 132 O THR A 13 -27.140 -6.827 2.349 1.00 0.00 O ATOM 133 CB THR A 13 -27.408 -4.188 4.067 1.00 0.00 C ATOM 134 OG1 THR A 13 -27.877 -3.538 5.253 1.00 0.00 O ATOM 135 CG2 THR A 13 -27.163 -3.153 2.979 1.00 0.00 C ATOM 0 H THR A 13 -27.829 -6.615 5.062 1.00 0.00 H new ATOM 0 HA THR A 13 -29.386 -4.745 3.409 1.00 0.00 H new ATOM 0 HB THR A 13 -26.469 -4.698 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 13 -27.219 -2.873 5.543 1.00 0.00 H new ATOM 0 HG21 THR A 13 -26.436 -2.421 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 13 -26.778 -3.647 2.087 1.00 0.00 H new ATOM 0 HG23 THR A 13 -28.099 -2.648 2.739 1.00 0.00 H new ATOM 143 N PHE A 14 -28.399 -5.375 1.180 1.00 0.00 N ATOM 144 CA PHE A 14 -27.999 -5.904 -0.118 1.00 0.00 C ATOM 145 C PHE A 14 -26.966 -4.996 -0.780 1.00 0.00 C ATOM 146 O PHE A 14 -27.316 -3.999 -1.410 1.00 0.00 O ATOM 147 CB PHE A 14 -29.218 -6.057 -1.029 1.00 0.00 C ATOM 148 CG PHE A 14 -28.910 -6.730 -2.336 1.00 0.00 C ATOM 149 CD1 PHE A 14 -28.860 -8.112 -2.423 1.00 0.00 C ATOM 150 CD2 PHE A 14 -28.671 -5.982 -3.477 1.00 0.00 C ATOM 151 CE1 PHE A 14 -28.576 -8.734 -3.625 1.00 0.00 C ATOM 152 CE2 PHE A 14 -28.386 -6.598 -4.681 1.00 0.00 C ATOM 153 CZ PHE A 14 -28.340 -7.976 -4.755 1.00 0.00 C ATOM 0 H PHE A 14 -29.054 -4.595 1.133 1.00 0.00 H new ATOM 0 HA PHE A 14 -27.548 -6.884 0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -29.983 -6.631 -0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -29.639 -5.071 -1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -29.045 -8.710 -1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -28.708 -4.904 -3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.539 -9.812 -3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -28.200 -6.002 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.120 -8.460 -5.695 1.00 0.00 H new ATOM 163 N GLU A 15 -25.693 -5.349 -0.631 1.00 0.00 N ATOM 164 CA GLU A 15 -24.610 -4.565 -1.213 1.00 0.00 C ATOM 165 C GLU A 15 -23.751 -5.425 -2.135 1.00 0.00 C ATOM 166 O GLU A 15 -23.690 -6.646 -1.986 1.00 0.00 O ATOM 167 CB GLU A 15 -23.742 -3.957 -0.110 1.00 0.00 C ATOM 168 CG GLU A 15 -23.069 -2.656 -0.513 1.00 0.00 C ATOM 169 CD GLU A 15 -23.967 -1.449 -0.319 1.00 0.00 C ATOM 170 OE1 GLU A 15 -24.839 -1.214 -1.180 1.00 0.00 O ATOM 171 OE2 GLU A 15 -23.797 -0.741 0.696 1.00 0.00 O ATOM 0 H GLU A 15 -25.387 -6.172 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 15 -25.053 -3.762 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -24.360 -3.779 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.977 -4.678 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.159 -2.525 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.768 -2.716 -1.559 1.00 0.00 H new ATOM 178 N LEU A 16 -23.089 -4.780 -3.089 1.00 0.00 N ATOM 179 CA LEU A 16 -22.233 -5.484 -4.038 1.00 0.00 C ATOM 180 C LEU A 16 -20.809 -4.939 -3.994 1.00 0.00 C ATOM 181 O LEU A 16 -20.556 -3.801 -4.390 1.00 0.00 O ATOM 182 CB LEU A 16 -22.797 -5.359 -5.454 1.00 0.00 C ATOM 183 CG LEU A 16 -24.272 -5.726 -5.625 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.782 -5.265 -6.981 1.00 0.00 C ATOM 185 CD2 LEU A 16 -24.471 -7.225 -5.458 1.00 0.00 C ATOM 0 H LEU A 16 -23.128 -3.770 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 16 -22.208 -6.537 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.658 -4.331 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -22.207 -5.993 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.847 -5.216 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.833 -5.535 -7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.675 -4.183 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -24.204 -5.746 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.526 -7.468 -5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.885 -7.756 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -24.144 -7.527 -4.463 1.00 0.00 H new ATOM 197 N VAL A 17 -19.881 -5.761 -3.513 1.00 0.00 N ATOM 198 CA VAL A 17 -18.482 -5.363 -3.422 1.00 0.00 C ATOM 199 C VAL A 17 -18.006 -4.724 -4.721 1.00 0.00 C ATOM 200 O VAL A 17 -18.528 -4.995 -5.803 1.00 0.00 O ATOM 201 CB VAL A 17 -17.577 -6.565 -3.092 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.801 -7.026 -1.660 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.825 -7.702 -4.072 1.00 0.00 C ATOM 0 H VAL A 17 -20.073 -6.706 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.413 -4.633 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.537 -6.252 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.153 -7.876 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.569 -6.211 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.842 -7.322 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.178 -8.543 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.867 -8.015 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.608 -7.363 -5.085 1.00 0.00 H new ATOM 213 N PRO A 18 -16.990 -3.854 -4.615 1.00 0.00 N ATOM 214 CA PRO A 18 -16.420 -3.158 -5.773 1.00 0.00 C ATOM 215 C PRO A 18 -15.648 -4.099 -6.692 1.00 0.00 C ATOM 216 O PRO A 18 -14.528 -4.507 -6.382 1.00 0.00 O ATOM 217 CB PRO A 18 -15.475 -2.133 -5.141 1.00 0.00 C ATOM 218 CG PRO A 18 -15.110 -2.719 -3.820 1.00 0.00 C ATOM 219 CD PRO A 18 -16.320 -3.483 -3.358 1.00 0.00 C ATOM 0 HA PRO A 18 -17.191 -2.715 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.593 -1.973 -5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.962 -1.165 -5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.245 -3.376 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.845 -1.939 -3.107 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.042 -4.362 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.963 -2.872 -2.725 1.00 0.00 H new ATOM 227 N THR A 19 -16.253 -4.439 -7.826 1.00 0.00 N ATOM 228 CA THR A 19 -15.623 -5.332 -8.790 1.00 0.00 C ATOM 229 C THR A 19 -14.713 -4.561 -9.740 1.00 0.00 C ATOM 230 O THR A 19 -14.455 -5.001 -10.861 1.00 0.00 O ATOM 231 CB THR A 19 -16.673 -6.101 -9.614 1.00 0.00 C ATOM 232 OG1 THR A 19 -16.026 -7.050 -10.469 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.511 -5.146 -10.450 1.00 0.00 C ATOM 0 H THR A 19 -17.179 -4.109 -8.099 1.00 0.00 H new ATOM 0 HA THR A 19 -15.028 -6.045 -8.219 1.00 0.00 H new ATOM 0 HB THR A 19 -17.332 -6.626 -8.922 1.00 0.00 H new ATOM 0 HG1 THR A 19 -15.231 -6.641 -10.870 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.245 -5.712 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.026 -4.444 -9.794 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.863 -4.596 -11.133 1.00 0.00 H new ATOM 241 N SER A 20 -14.229 -3.410 -9.286 1.00 0.00 N ATOM 242 CA SER A 20 -13.351 -2.576 -10.097 1.00 0.00 C ATOM 243 C SER A 20 -12.131 -2.132 -9.296 1.00 0.00 C ATOM 244 O SER A 20 -12.226 -1.767 -8.124 1.00 0.00 O ATOM 245 CB SER A 20 -14.109 -1.352 -10.615 1.00 0.00 C ATOM 246 OG SER A 20 -13.315 -0.607 -11.522 1.00 0.00 O ATOM 0 H SER A 20 -14.430 -3.033 -8.360 1.00 0.00 H new ATOM 0 HA SER A 20 -13.010 -3.169 -10.946 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.027 -1.671 -11.108 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.400 -0.719 -9.777 1.00 0.00 H new ATOM 0 HG SER A 20 -13.822 0.169 -11.840 1.00 0.00 H new ATOM 252 N PRO A 21 -10.956 -2.162 -9.942 1.00 0.00 N ATOM 253 CA PRO A 21 -9.694 -1.766 -9.310 1.00 0.00 C ATOM 254 C PRO A 21 -9.623 -0.265 -9.049 1.00 0.00 C ATOM 255 O PRO A 21 -10.432 0.516 -9.551 1.00 0.00 O ATOM 256 CB PRO A 21 -8.637 -2.181 -10.336 1.00 0.00 C ATOM 257 CG PRO A 21 -9.354 -2.175 -11.642 1.00 0.00 C ATOM 258 CD PRO A 21 -10.769 -2.586 -11.340 1.00 0.00 C ATOM 0 HA PRO A 21 -9.564 -2.231 -8.333 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.797 -1.486 -10.342 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.233 -3.168 -10.111 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.324 -1.186 -12.099 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.889 -2.865 -12.346 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.480 -2.098 -12.007 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.909 -3.661 -11.456 1.00 0.00 H new ATOM 266 N PRO A 22 -8.632 0.151 -8.247 1.00 0.00 N ATOM 267 CA PRO A 22 -8.431 1.562 -7.902 1.00 0.00 C ATOM 268 C PRO A 22 -7.946 2.385 -9.091 1.00 0.00 C ATOM 269 O PRO A 22 -7.754 1.859 -10.187 1.00 0.00 O ATOM 270 CB PRO A 22 -7.358 1.512 -6.813 1.00 0.00 C ATOM 271 CG PRO A 22 -6.618 0.244 -7.068 1.00 0.00 C ATOM 272 CD PRO A 22 -7.631 -0.724 -7.614 1.00 0.00 C ATOM 0 HA PRO A 22 -9.358 2.040 -7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.695 2.375 -6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.803 1.517 -5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.807 0.402 -7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.169 -0.137 -6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.184 -1.410 -8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.071 -1.333 -6.824 1.00 0.00 H new ATOM 280 N LYS A 23 -7.750 3.680 -8.867 1.00 0.00 N ATOM 281 CA LYS A 23 -7.285 4.577 -9.918 1.00 0.00 C ATOM 282 C LYS A 23 -6.338 5.631 -9.354 1.00 0.00 C ATOM 283 O LYS A 23 -6.057 5.650 -8.156 1.00 0.00 O ATOM 284 CB LYS A 23 -8.475 5.257 -10.599 1.00 0.00 C ATOM 285 CG LYS A 23 -9.711 4.378 -10.684 1.00 0.00 C ATOM 286 CD LYS A 23 -10.766 4.986 -11.593 1.00 0.00 C ATOM 287 CE LYS A 23 -10.410 4.802 -13.060 1.00 0.00 C ATOM 288 NZ LYS A 23 -9.544 5.904 -13.563 1.00 0.00 N ATOM 0 H LYS A 23 -7.906 4.132 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.743 3.984 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.724 6.167 -10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.184 5.558 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.433 3.392 -11.057 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.127 4.236 -9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.732 4.524 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.869 6.049 -11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.898 3.849 -13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.324 4.759 -13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.903 6.236 -14.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.553 6.691 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.571 5.556 -13.677 1.00 0.00 H new ATOM 302 N ASP A 24 -5.850 6.508 -10.225 1.00 0.00 N ATOM 303 CA ASP A 24 -4.936 7.567 -9.814 1.00 0.00 C ATOM 304 C ASP A 24 -3.811 7.008 -8.949 1.00 0.00 C ATOM 305 O ASP A 24 -3.448 7.594 -7.929 1.00 0.00 O ATOM 306 CB ASP A 24 -5.693 8.653 -9.048 1.00 0.00 C ATOM 307 CG ASP A 24 -4.985 9.994 -9.093 1.00 0.00 C ATOM 308 OD1 ASP A 24 -4.278 10.258 -10.088 1.00 0.00 O ATOM 309 OD2 ASP A 24 -5.140 10.778 -8.135 1.00 0.00 O ATOM 0 H ASP A 24 -6.072 6.506 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.497 8.004 -10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.693 8.759 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.814 8.344 -8.010 1.00 0.00 H new ATOM 314 N VAL A 25 -3.262 5.870 -9.363 1.00 0.00 N ATOM 315 CA VAL A 25 -2.178 5.232 -8.627 1.00 0.00 C ATOM 316 C VAL A 25 -0.870 5.994 -8.804 1.00 0.00 C ATOM 317 O VAL A 25 -0.356 6.119 -9.916 1.00 0.00 O ATOM 318 CB VAL A 25 -1.974 3.774 -9.080 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.677 3.216 -8.516 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.159 2.916 -8.661 1.00 0.00 C ATOM 0 H VAL A 25 -3.551 5.371 -10.205 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.462 5.242 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.907 3.756 -10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.550 2.185 -8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.161 3.816 -8.869 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.711 3.246 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.999 1.889 -8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.259 2.939 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.069 3.305 -9.118 1.00 0.00 H new ATOM 330 N THR A 26 -0.333 6.504 -7.699 1.00 0.00 N ATOM 331 CA THR A 26 0.915 7.255 -7.732 1.00 0.00 C ATOM 332 C THR A 26 1.805 6.893 -6.548 1.00 0.00 C ATOM 333 O THR A 26 1.322 6.683 -5.436 1.00 0.00 O ATOM 334 CB THR A 26 0.657 8.774 -7.720 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.316 9.098 -6.720 1.00 0.00 O ATOM 336 CG2 THR A 26 0.172 9.251 -9.080 1.00 0.00 C ATOM 0 H THR A 26 -0.744 6.410 -6.770 1.00 0.00 H new ATOM 0 HA THR A 26 1.421 6.987 -8.659 1.00 0.00 H new ATOM 0 HB THR A 26 1.596 9.278 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.473 10.065 -6.718 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.003 10.326 -9.047 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.927 9.029 -9.834 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.756 8.740 -9.335 1.00 0.00 H new ATOM 344 N VAL A 27 3.110 6.822 -6.795 1.00 0.00 N ATOM 345 CA VAL A 27 4.069 6.487 -5.749 1.00 0.00 C ATOM 346 C VAL A 27 5.228 7.477 -5.729 1.00 0.00 C ATOM 347 O VAL A 27 6.017 7.544 -6.671 1.00 0.00 O ATOM 348 CB VAL A 27 4.626 5.064 -5.934 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.526 4.687 -4.767 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.491 4.063 -6.087 1.00 0.00 C ATOM 0 H VAL A 27 3.527 6.992 -7.710 1.00 0.00 H new ATOM 0 HA VAL A 27 3.535 6.539 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 27 5.224 5.043 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.910 3.678 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.359 5.388 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.954 4.725 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.903 3.062 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.864 4.084 -5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.891 4.324 -6.959 1.00 0.00 H new ATOM 360 N VAL A 28 5.325 8.244 -4.648 1.00 0.00 N ATOM 361 CA VAL A 28 6.390 9.230 -4.504 1.00 0.00 C ATOM 362 C VAL A 28 7.203 8.980 -3.239 1.00 0.00 C ATOM 363 O VAL A 28 6.786 8.225 -2.360 1.00 0.00 O ATOM 364 CB VAL A 28 5.826 10.663 -4.463 1.00 0.00 C ATOM 365 CG1 VAL A 28 5.085 10.983 -5.752 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.916 10.843 -3.257 1.00 0.00 C ATOM 0 H VAL A 28 4.680 8.202 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 28 7.037 9.126 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 28 6.659 11.360 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.694 11.999 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.769 10.897 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.260 10.282 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.527 11.861 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.087 10.138 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.482 10.659 -2.344 1.00 0.00 H new ATOM 376 N SER A 29 8.366 9.618 -3.153 1.00 0.00 N ATOM 377 CA SER A 29 9.240 9.462 -1.997 1.00 0.00 C ATOM 378 C SER A 29 8.974 10.553 -0.964 1.00 0.00 C ATOM 379 O SER A 29 8.433 11.611 -1.285 1.00 0.00 O ATOM 380 CB SER A 29 10.707 9.501 -2.431 1.00 0.00 C ATOM 381 OG SER A 29 11.003 10.704 -3.119 1.00 0.00 O ATOM 0 H SER A 29 8.725 10.248 -3.871 1.00 0.00 H new ATOM 0 HA SER A 29 9.029 8.495 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.351 9.411 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.922 8.648 -3.074 1.00 0.00 H new ATOM 0 HG SER A 29 11.946 10.706 -3.384 1.00 0.00 H new ATOM 387 N LYS A 30 9.359 10.288 0.280 1.00 0.00 N ATOM 388 CA LYS A 30 9.165 11.245 1.362 1.00 0.00 C ATOM 389 C LYS A 30 10.371 12.170 1.493 1.00 0.00 C ATOM 390 O LYS A 30 11.515 11.732 1.386 1.00 0.00 O ATOM 391 CB LYS A 30 8.927 10.511 2.684 1.00 0.00 C ATOM 392 CG LYS A 30 9.008 11.412 3.904 1.00 0.00 C ATOM 393 CD LYS A 30 8.161 10.881 5.047 1.00 0.00 C ATOM 394 CE LYS A 30 7.818 11.977 6.044 1.00 0.00 C ATOM 395 NZ LYS A 30 8.923 12.209 7.016 1.00 0.00 N ATOM 0 H LYS A 30 9.808 9.417 0.564 1.00 0.00 H new ATOM 0 HA LYS A 30 8.289 11.849 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.945 10.039 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.662 9.712 2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.046 11.496 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.675 12.415 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.243 10.449 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.696 10.080 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.606 12.902 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.911 11.706 6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.650 12.963 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.109 11.334 7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.782 12.493 6.503 1.00 0.00 H new ATOM 409 N GLU A 31 10.105 13.452 1.726 1.00 0.00 N ATOM 410 CA GLU A 31 11.170 14.438 1.872 1.00 0.00 C ATOM 411 C GLU A 31 11.846 14.311 3.234 1.00 0.00 C ATOM 412 O GLU A 31 11.230 14.557 4.270 1.00 0.00 O ATOM 413 CB GLU A 31 10.613 15.852 1.696 1.00 0.00 C ATOM 414 CG GLU A 31 11.688 16.917 1.557 1.00 0.00 C ATOM 415 CD GLU A 31 11.150 18.320 1.763 1.00 0.00 C ATOM 416 OE1 GLU A 31 10.621 18.598 2.859 1.00 0.00 O ATOM 417 OE2 GLU A 31 11.258 19.139 0.827 1.00 0.00 O ATOM 0 H GLU A 31 9.163 13.832 1.818 1.00 0.00 H new ATOM 0 HA GLU A 31 11.914 14.249 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.975 15.875 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.982 16.094 2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.480 16.726 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.138 16.846 0.567 1.00 0.00 H new ATOM 424 N GLY A 32 13.118 13.925 3.223 1.00 0.00 N ATOM 425 CA GLY A 32 13.857 13.771 4.462 1.00 0.00 C ATOM 426 C GLY A 32 14.280 12.337 4.711 1.00 0.00 C ATOM 427 O GLY A 32 15.425 12.074 5.080 1.00 0.00 O ATOM 0 H GLY A 32 13.650 13.716 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.741 14.408 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.242 14.115 5.293 1.00 0.00 H new ATOM 431 N LYS A 33 13.355 11.405 4.510 1.00 0.00 N ATOM 432 CA LYS A 33 13.636 9.989 4.715 1.00 0.00 C ATOM 433 C LYS A 33 13.362 9.191 3.445 1.00 0.00 C ATOM 434 O LYS A 33 12.234 9.124 2.956 1.00 0.00 O ATOM 435 CB LYS A 33 12.791 9.441 5.867 1.00 0.00 C ATOM 436 CG LYS A 33 13.553 8.507 6.790 1.00 0.00 C ATOM 437 CD LYS A 33 13.361 7.053 6.395 1.00 0.00 C ATOM 438 CE LYS A 33 13.625 6.117 7.565 1.00 0.00 C ATOM 439 NZ LYS A 33 12.727 6.405 8.718 1.00 0.00 N ATOM 0 H LYS A 33 12.403 11.605 4.205 1.00 0.00 H new ATOM 0 HA LYS A 33 14.692 9.887 4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.401 10.276 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.932 8.911 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.614 8.755 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.216 8.654 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.344 6.905 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.032 6.807 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.484 5.085 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.664 6.214 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.579 5.535 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.163 7.129 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.812 6.753 8.367 1.00 0.00 H new ATOM 453 N PRO A 34 14.417 8.569 2.896 1.00 0.00 N ATOM 454 CA PRO A 34 14.314 7.762 1.677 1.00 0.00 C ATOM 455 C PRO A 34 13.543 6.466 1.903 1.00 0.00 C ATOM 456 O PRO A 34 12.602 6.155 1.172 1.00 0.00 O ATOM 457 CB PRO A 34 15.773 7.463 1.326 1.00 0.00 C ATOM 458 CG PRO A 34 16.501 7.551 2.623 1.00 0.00 C ATOM 459 CD PRO A 34 15.791 8.606 3.425 1.00 0.00 C ATOM 0 HA PRO A 34 13.770 8.282 0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.878 6.474 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.162 8.182 0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.490 6.593 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.546 7.817 2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.817 8.385 4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.247 9.587 3.291 1.00 0.00 H new ATOM 467 N LYS A 35 13.948 5.712 2.919 1.00 0.00 N ATOM 468 CA LYS A 35 13.295 4.450 3.244 1.00 0.00 C ATOM 469 C LYS A 35 11.780 4.620 3.302 1.00 0.00 C ATOM 470 O LYS A 35 11.029 3.657 3.141 1.00 0.00 O ATOM 471 CB LYS A 35 13.811 3.914 4.581 1.00 0.00 C ATOM 472 CG LYS A 35 15.261 3.465 4.538 1.00 0.00 C ATOM 473 CD LYS A 35 15.612 2.597 5.735 1.00 0.00 C ATOM 474 CE LYS A 35 17.076 2.744 6.119 1.00 0.00 C ATOM 475 NZ LYS A 35 17.968 1.967 5.214 1.00 0.00 N ATOM 0 H LYS A 35 14.726 5.954 3.532 1.00 0.00 H new ATOM 0 HA LYS A 35 13.532 3.734 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.702 4.689 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.189 3.074 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.444 2.909 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.913 4.338 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.983 2.872 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.398 1.553 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.356 3.797 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.218 2.407 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.957 2.093 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.718 0.959 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.852 2.306 4.238 1.00 0.00 H new ATOM 489 N THR A 36 11.336 5.852 3.532 1.00 0.00 N ATOM 490 CA THR A 36 9.911 6.148 3.612 1.00 0.00 C ATOM 491 C THR A 36 9.367 6.596 2.260 1.00 0.00 C ATOM 492 O THR A 36 10.030 7.329 1.525 1.00 0.00 O ATOM 493 CB THR A 36 9.622 7.242 4.657 1.00 0.00 C ATOM 494 OG1 THR A 36 10.108 6.833 5.941 1.00 0.00 O ATOM 495 CG2 THR A 36 8.131 7.529 4.741 1.00 0.00 C ATOM 0 H THR A 36 11.943 6.661 3.666 1.00 0.00 H new ATOM 0 HA THR A 36 9.413 5.227 3.915 1.00 0.00 H new ATOM 0 HB THR A 36 10.134 8.153 4.349 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.922 7.534 6.600 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.951 8.305 5.485 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.770 7.868 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.601 6.621 5.028 1.00 0.00 H new ATOM 503 N ILE A 37 8.156 6.153 1.939 1.00 0.00 N ATOM 504 CA ILE A 37 7.523 6.510 0.676 1.00 0.00 C ATOM 505 C ILE A 37 6.018 6.692 0.848 1.00 0.00 C ATOM 506 O ILE A 37 5.422 6.164 1.787 1.00 0.00 O ATOM 507 CB ILE A 37 7.779 5.443 -0.405 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.087 4.131 -0.031 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.273 5.226 -0.590 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.696 3.292 -1.227 1.00 0.00 C ATOM 0 H ILE A 37 7.594 5.546 2.536 1.00 0.00 H new ATOM 0 HA ILE A 37 7.967 7.453 0.356 1.00 0.00 H new ATOM 0 HB ILE A 37 7.363 5.795 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.750 3.549 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.194 4.354 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.439 4.469 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.741 6.161 -0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.711 4.891 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.211 2.377 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.008 3.855 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.588 3.038 -1.800 1.00 0.00 H new ATOM 522 N ILE A 38 5.411 7.441 -0.066 1.00 0.00 N ATOM 523 CA ILE A 38 3.975 7.691 -0.017 1.00 0.00 C ATOM 524 C ILE A 38 3.282 7.155 -1.265 1.00 0.00 C ATOM 525 O ILE A 38 3.755 7.351 -2.385 1.00 0.00 O ATOM 526 CB ILE A 38 3.669 9.193 0.121 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.316 9.753 1.390 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.166 9.428 0.139 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.817 9.904 1.287 1.00 0.00 C ATOM 0 H ILE A 38 5.890 7.885 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 38 3.594 7.169 0.861 1.00 0.00 H new ATOM 0 HB ILE A 38 4.089 9.715 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.876 10.725 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.082 9.096 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.966 10.495 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.729 9.061 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.725 8.897 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.207 10.306 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.268 8.931 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.059 10.585 0.471 1.00 0.00 H new ATOM 541 N VAL A 39 2.155 6.479 -1.065 1.00 0.00 N ATOM 542 CA VAL A 39 1.393 5.917 -2.175 1.00 0.00 C ATOM 543 C VAL A 39 -0.046 6.419 -2.163 1.00 0.00 C ATOM 544 O VAL A 39 -0.841 6.037 -1.306 1.00 0.00 O ATOM 545 CB VAL A 39 1.388 4.377 -2.129 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.484 3.814 -3.215 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.803 3.836 -2.268 1.00 0.00 C ATOM 0 H VAL A 39 1.749 6.307 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 39 1.882 6.244 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 39 0.996 4.060 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.493 2.725 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.533 4.176 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.844 4.137 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.781 2.747 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.225 4.160 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.418 4.213 -1.451 1.00 0.00 H new ATOM 557 N ASN A 40 -0.375 7.279 -3.122 1.00 0.00 N ATOM 558 CA ASN A 40 -1.719 7.835 -3.223 1.00 0.00 C ATOM 559 C ASN A 40 -2.536 7.094 -4.278 1.00 0.00 C ATOM 560 O ASN A 40 -1.981 6.469 -5.181 1.00 0.00 O ATOM 561 CB ASN A 40 -1.654 9.324 -3.566 1.00 0.00 C ATOM 562 CG ASN A 40 -0.569 10.048 -2.791 1.00 0.00 C ATOM 563 OD1 ASN A 40 -0.815 10.582 -1.709 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.638 10.070 -3.343 1.00 0.00 N ATOM 0 H ASN A 40 0.271 7.606 -3.840 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.209 7.713 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.473 9.441 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.618 9.786 -3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.407 10.543 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.796 9.614 -4.242 1.00 0.00 H new ATOM 571 N TRP A 41 -3.856 7.171 -4.156 1.00 0.00 N ATOM 572 CA TRP A 41 -4.750 6.508 -5.099 1.00 0.00 C ATOM 573 C TRP A 41 -6.151 7.106 -5.033 1.00 0.00 C ATOM 574 O TRP A 41 -6.408 8.021 -4.251 1.00 0.00 O ATOM 575 CB TRP A 41 -4.808 5.007 -4.810 1.00 0.00 C ATOM 576 CG TRP A 41 -5.402 4.682 -3.473 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.730 4.569 -3.172 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.690 4.431 -2.257 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.885 4.262 -1.841 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.649 4.171 -1.258 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.335 4.397 -1.915 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.294 3.884 0.057 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.985 4.112 -0.609 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.960 3.858 0.364 1.00 0.00 C ATOM 0 H TRP A 41 -4.331 7.685 -3.414 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.357 6.662 -6.104 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.393 4.517 -5.588 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.800 4.595 -4.862 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.538 4.701 -3.876 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.776 4.124 -1.365 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.575 4.590 -2.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.044 3.689 0.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.941 4.085 -0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.654 3.637 1.376 1.00 0.00 H new ATOM 595 N GLN A 42 -7.053 6.583 -5.857 1.00 0.00 N ATOM 596 CA GLN A 42 -8.428 7.066 -5.891 1.00 0.00 C ATOM 597 C GLN A 42 -9.410 5.907 -6.020 1.00 0.00 C ATOM 598 O GLN A 42 -9.090 4.847 -6.560 1.00 0.00 O ATOM 599 CB GLN A 42 -8.619 8.043 -7.053 1.00 0.00 C ATOM 600 CG GLN A 42 -7.819 9.328 -6.905 1.00 0.00 C ATOM 601 CD GLN A 42 -8.500 10.339 -6.004 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.723 10.331 -5.856 1.00 0.00 O ATOM 603 NE2 GLN A 42 -7.711 11.216 -5.396 1.00 0.00 N ATOM 0 H GLN A 42 -6.856 5.825 -6.510 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.627 7.584 -4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.331 7.551 -7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.677 8.291 -7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.834 9.094 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.664 9.770 -7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.703 11.186 -5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.113 11.920 -4.777 1.00 0.00 H new ATOM 612 N PRO A 43 -10.635 6.109 -5.513 1.00 0.00 N ATOM 613 CA PRO A 43 -11.689 5.091 -5.559 1.00 0.00 C ATOM 614 C PRO A 43 -12.207 4.857 -6.974 1.00 0.00 C ATOM 615 O PRO A 43 -12.193 5.750 -7.821 1.00 0.00 O ATOM 616 CB PRO A 43 -12.792 5.682 -4.677 1.00 0.00 C ATOM 617 CG PRO A 43 -12.572 7.154 -4.731 1.00 0.00 C ATOM 618 CD PRO A 43 -11.086 7.347 -4.855 1.00 0.00 C ATOM 0 HA PRO A 43 -11.331 4.118 -5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.781 5.416 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.724 5.309 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.095 7.596 -5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.955 7.639 -3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.843 8.229 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.615 7.479 -3.881 1.00 0.00 H new ATOM 626 N PRO A 44 -12.675 3.628 -7.238 1.00 0.00 N ATOM 627 CA PRO A 44 -13.208 3.248 -8.550 1.00 0.00 C ATOM 628 C PRO A 44 -14.539 3.927 -8.854 1.00 0.00 C ATOM 629 O PRO A 44 -15.363 4.127 -7.962 1.00 0.00 O ATOM 630 CB PRO A 44 -13.395 1.734 -8.432 1.00 0.00 C ATOM 631 CG PRO A 44 -13.568 1.486 -6.973 1.00 0.00 C ATOM 632 CD PRO A 44 -12.722 2.514 -6.275 1.00 0.00 C ATOM 0 HA PRO A 44 -12.545 3.547 -9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.265 1.397 -8.997 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.532 1.197 -8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.614 1.580 -6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.253 0.477 -6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.163 2.821 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.726 2.132 -6.054 1.00 0.00 H new ATOM 640 N SER A 45 -14.742 4.280 -10.119 1.00 0.00 N ATOM 641 CA SER A 45 -15.973 4.940 -10.540 1.00 0.00 C ATOM 642 C SER A 45 -17.179 4.034 -10.316 1.00 0.00 C ATOM 643 O SER A 45 -18.308 4.507 -10.186 1.00 0.00 O ATOM 644 CB SER A 45 -15.885 5.336 -12.015 1.00 0.00 C ATOM 645 OG SER A 45 -15.040 6.460 -12.192 1.00 0.00 O ATOM 0 H SER A 45 -14.071 4.120 -10.870 1.00 0.00 H new ATOM 0 HA SER A 45 -16.099 5.839 -9.937 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.506 4.497 -12.598 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.881 5.563 -12.394 1.00 0.00 H new ATOM 0 HG SER A 45 -14.999 6.692 -13.143 1.00 0.00 H new ATOM 651 N GLU A 46 -16.931 2.729 -10.272 1.00 0.00 N ATOM 652 CA GLU A 46 -17.997 1.756 -10.065 1.00 0.00 C ATOM 653 C GLU A 46 -17.998 1.248 -8.626 1.00 0.00 C ATOM 654 O GLU A 46 -17.595 0.116 -8.356 1.00 0.00 O ATOM 655 CB GLU A 46 -17.841 0.581 -11.032 1.00 0.00 C ATOM 656 CG GLU A 46 -18.469 0.826 -12.394 1.00 0.00 C ATOM 657 CD GLU A 46 -19.858 1.427 -12.296 1.00 0.00 C ATOM 658 OE1 GLU A 46 -20.745 0.775 -11.707 1.00 0.00 O ATOM 659 OE2 GLU A 46 -20.057 2.547 -12.809 1.00 0.00 O ATOM 0 H GLU A 46 -16.002 2.321 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.948 2.252 -10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.780 0.368 -11.163 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.292 -0.307 -10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.828 1.493 -12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -18.522 -0.116 -12.940 1.00 0.00 H new ATOM 666 N ALA A 47 -18.452 2.093 -7.706 1.00 0.00 N ATOM 667 CA ALA A 47 -18.506 1.730 -6.296 1.00 0.00 C ATOM 668 C ALA A 47 -19.918 1.321 -5.888 1.00 0.00 C ATOM 669 O ALA A 47 -20.553 1.984 -5.069 1.00 0.00 O ATOM 670 CB ALA A 47 -18.019 2.885 -5.434 1.00 0.00 C ATOM 0 H ALA A 47 -18.788 3.034 -7.912 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.849 0.874 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.065 2.599 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.990 3.128 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.652 3.756 -5.601 1.00 0.00 H new ATOM 676 N ASN A 48 -20.402 0.227 -6.465 1.00 0.00 N ATOM 677 CA ASN A 48 -21.740 -0.269 -6.162 1.00 0.00 C ATOM 678 C ASN A 48 -22.058 -0.105 -4.679 1.00 0.00 C ATOM 679 O ASN A 48 -23.195 0.177 -4.305 1.00 0.00 O ATOM 680 CB ASN A 48 -21.864 -1.740 -6.563 1.00 0.00 C ATOM 681 CG ASN A 48 -21.357 -2.002 -7.968 1.00 0.00 C ATOM 682 OD1 ASN A 48 -22.018 -1.665 -8.950 1.00 0.00 O ATOM 683 ND2 ASN A 48 -20.179 -2.605 -8.069 1.00 0.00 N ATOM 0 H ASN A 48 -19.888 -0.333 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.457 0.318 -6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -21.304 -2.354 -5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.908 -2.046 -6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.787 -2.807 -8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.666 -2.866 -7.227 1.00 0.00 H new ATOM 690 N GLY A 49 -21.043 -0.283 -3.839 1.00 0.00 N ATOM 691 CA GLY A 49 -21.234 -0.151 -2.406 1.00 0.00 C ATOM 692 C GLY A 49 -20.481 1.030 -1.827 1.00 0.00 C ATOM 693 O GLY A 49 -19.898 1.826 -2.564 1.00 0.00 O ATOM 0 H GLY A 49 -20.092 -0.516 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.297 -0.040 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.904 -1.065 -1.913 1.00 0.00 H new ATOM 697 N LYS A 50 -20.494 1.148 -0.504 1.00 0.00 N ATOM 698 CA LYS A 50 -19.808 2.241 0.175 1.00 0.00 C ATOM 699 C LYS A 50 -18.401 1.825 0.592 1.00 0.00 C ATOM 700 O LYS A 50 -18.192 0.713 1.079 1.00 0.00 O ATOM 701 CB LYS A 50 -20.605 2.686 1.403 1.00 0.00 C ATOM 702 CG LYS A 50 -20.022 3.904 2.098 1.00 0.00 C ATOM 703 CD LYS A 50 -20.552 4.045 3.515 1.00 0.00 C ATOM 704 CE LYS A 50 -19.835 5.153 4.271 1.00 0.00 C ATOM 705 NZ LYS A 50 -20.289 5.243 5.686 1.00 0.00 N ATOM 0 H LYS A 50 -20.973 0.499 0.120 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.729 3.076 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.629 2.906 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.652 1.861 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.935 3.825 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.264 4.800 1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.621 4.256 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.428 3.101 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.760 4.973 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.011 6.106 3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.777 6.010 6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.310 5.440 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.098 4.342 6.170 1.00 0.00 H new ATOM 719 N ILE A 51 -17.442 2.723 0.398 1.00 0.00 N ATOM 720 CA ILE A 51 -16.056 2.449 0.757 1.00 0.00 C ATOM 721 C ILE A 51 -15.830 2.625 2.254 1.00 0.00 C ATOM 722 O ILE A 51 -16.342 3.564 2.865 1.00 0.00 O ATOM 723 CB ILE A 51 -15.084 3.367 -0.009 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.277 3.205 -1.518 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.647 3.061 0.383 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.494 1.771 -1.949 1.00 0.00 C ATOM 0 H ILE A 51 -17.599 3.647 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.858 1.413 0.482 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.300 4.402 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.131 3.804 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.402 3.602 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.972 3.718 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.519 3.223 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.418 2.023 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.623 1.732 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.630 1.171 -1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -16.386 1.376 -1.462 1.00 0.00 H new ATOM 738 N THR A 52 -15.059 1.716 2.842 1.00 0.00 N ATOM 739 CA THR A 52 -14.764 1.770 4.268 1.00 0.00 C ATOM 740 C THR A 52 -13.261 1.820 4.518 1.00 0.00 C ATOM 741 O THR A 52 -12.796 2.495 5.435 1.00 0.00 O ATOM 742 CB THR A 52 -15.356 0.558 5.011 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.736 -0.649 4.552 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.860 0.473 4.797 1.00 0.00 C ATOM 0 H THR A 52 -14.627 0.933 2.352 1.00 0.00 H new ATOM 0 HA THR A 52 -15.224 2.681 4.651 1.00 0.00 H new ATOM 0 HB THR A 52 -15.163 0.684 6.076 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.117 -1.415 5.030 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.255 -0.391 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.333 1.380 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.071 0.369 3.733 1.00 0.00 H new ATOM 752 N GLY A 53 -12.505 1.101 3.694 1.00 0.00 N ATOM 753 CA GLY A 53 -11.061 1.077 3.842 1.00 0.00 C ATOM 754 C GLY A 53 -10.360 0.545 2.608 1.00 0.00 C ATOM 755 O GLY A 53 -11.003 0.245 1.602 1.00 0.00 O ATOM 0 H GLY A 53 -12.866 0.535 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.704 2.085 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.797 0.459 4.701 1.00 0.00 H new ATOM 759 N TYR A 54 -9.039 0.430 2.684 1.00 0.00 N ATOM 760 CA TYR A 54 -8.250 -0.065 1.562 1.00 0.00 C ATOM 761 C TYR A 54 -7.133 -0.985 2.047 1.00 0.00 C ATOM 762 O TYR A 54 -6.866 -1.078 3.245 1.00 0.00 O ATOM 763 CB TYR A 54 -7.657 1.103 0.773 1.00 0.00 C ATOM 764 CG TYR A 54 -8.699 1.999 0.144 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.334 2.988 0.885 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.048 1.858 -1.194 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.287 3.808 0.314 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.000 2.675 -1.774 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.616 3.648 -1.015 1.00 0.00 C ATOM 770 OH TYR A 54 -11.564 4.465 -1.588 1.00 0.00 O ATOM 0 H TYR A 54 -8.492 0.673 3.510 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.911 -0.636 0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.031 1.699 1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.008 0.710 -0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.078 3.118 1.926 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.567 1.097 -1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.772 4.571 0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.260 2.552 -2.815 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.224 3.918 -2.063 1.00 0.00 H new ATOM 780 N ILE A 55 -6.484 -1.663 1.106 1.00 0.00 N ATOM 781 CA ILE A 55 -5.395 -2.574 1.435 1.00 0.00 C ATOM 782 C ILE A 55 -4.247 -2.440 0.441 1.00 0.00 C ATOM 783 O ILE A 55 -4.465 -2.366 -0.769 1.00 0.00 O ATOM 784 CB ILE A 55 -5.873 -4.038 1.456 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.054 -4.198 2.415 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.732 -4.962 1.853 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.813 -5.493 2.229 1.00 0.00 C ATOM 0 H ILE A 55 -6.694 -1.598 0.110 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.044 -2.300 2.430 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.204 -4.311 0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.688 -4.145 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.739 -3.362 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.086 -5.993 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.918 -4.865 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.373 -4.691 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.636 -5.538 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.209 -5.540 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.142 -6.335 2.396 1.00 0.00 H new ATOM 799 N ILE A 56 -3.023 -2.412 0.959 1.00 0.00 N ATOM 800 CA ILE A 56 -1.840 -2.291 0.117 1.00 0.00 C ATOM 801 C ILE A 56 -0.945 -3.518 0.245 1.00 0.00 C ATOM 802 O ILE A 56 -0.650 -3.971 1.352 1.00 0.00 O ATOM 803 CB ILE A 56 -1.023 -1.034 0.471 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.853 0.227 0.222 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.266 -0.995 -0.336 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.229 1.483 0.790 1.00 0.00 C ATOM 0 H ILE A 56 -2.825 -2.472 1.958 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.192 -2.208 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.764 -1.073 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.993 0.354 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.843 0.093 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.832 -0.101 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.862 -1.880 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.029 -0.976 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.871 2.337 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.114 1.376 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.251 1.641 0.335 1.00 0.00 H new ATOM 818 N TYR A 57 -0.514 -4.052 -0.892 1.00 0.00 N ATOM 819 CA TYR A 57 0.347 -5.228 -0.907 1.00 0.00 C ATOM 820 C TYR A 57 1.689 -4.912 -1.561 1.00 0.00 C ATOM 821 O TYR A 57 1.746 -4.496 -2.719 1.00 0.00 O ATOM 822 CB TYR A 57 -0.336 -6.377 -1.649 1.00 0.00 C ATOM 823 CG TYR A 57 -1.789 -6.561 -1.274 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.753 -5.645 -1.678 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.199 -7.650 -0.515 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.081 -5.808 -1.337 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.526 -7.822 -0.170 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.463 -6.899 -0.583 1.00 0.00 C ATOM 829 OH TYR A 57 -5.785 -7.066 -0.241 1.00 0.00 O ATOM 0 H TYR A 57 -0.747 -3.689 -1.816 1.00 0.00 H new ATOM 0 HA TYR A 57 0.528 -5.528 0.125 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.266 -6.198 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.203 -7.302 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.458 -4.791 -2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.468 -8.375 -0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.817 -5.086 -1.659 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.827 -8.675 0.420 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.885 -7.884 0.290 1.00 0.00 H new ATOM 839 N TYR A 58 2.767 -5.114 -0.812 1.00 0.00 N ATOM 840 CA TYR A 58 4.109 -4.849 -1.317 1.00 0.00 C ATOM 841 C TYR A 58 5.062 -5.984 -0.952 1.00 0.00 C ATOM 842 O TYR A 58 5.037 -6.495 0.168 1.00 0.00 O ATOM 843 CB TYR A 58 4.636 -3.527 -0.757 1.00 0.00 C ATOM 844 CG TYR A 58 4.986 -3.588 0.713 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.099 -4.293 1.154 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.203 -2.939 1.661 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.421 -4.352 2.495 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.520 -2.991 3.005 1.00 0.00 C ATOM 849 CZ TYR A 58 5.629 -3.699 3.417 1.00 0.00 C ATOM 850 OH TYR A 58 5.948 -3.755 4.754 1.00 0.00 O ATOM 0 H TYR A 58 2.738 -5.460 0.147 1.00 0.00 H new ATOM 0 HA TYR A 58 4.053 -4.779 -2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.521 -3.231 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.885 -2.752 -0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.723 -4.804 0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.333 -2.385 1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.289 -4.907 2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.902 -2.480 3.729 1.00 0.00 H new ATOM 0 HH TYR A 58 5.291 -3.242 5.269 1.00 0.00 H new ATOM 860 N SER A 59 5.901 -6.373 -1.907 1.00 0.00 N ATOM 861 CA SER A 59 6.860 -7.449 -1.689 1.00 0.00 C ATOM 862 C SER A 59 8.046 -7.321 -2.640 1.00 0.00 C ATOM 863 O SER A 59 7.919 -6.782 -3.740 1.00 0.00 O ATOM 864 CB SER A 59 6.185 -8.809 -1.878 1.00 0.00 C ATOM 865 OG SER A 59 7.140 -9.856 -1.882 1.00 0.00 O ATOM 0 H SER A 59 5.936 -5.959 -2.839 1.00 0.00 H new ATOM 0 HA SER A 59 7.227 -7.373 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.463 -8.974 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.629 -8.816 -2.816 1.00 0.00 H new ATOM 0 HG SER A 59 6.683 -10.715 -2.002 1.00 0.00 H new ATOM 871 N THR A 60 9.200 -7.821 -2.209 1.00 0.00 N ATOM 872 CA THR A 60 10.409 -7.762 -3.020 1.00 0.00 C ATOM 873 C THR A 60 10.238 -8.540 -4.319 1.00 0.00 C ATOM 874 O THR A 60 10.853 -8.214 -5.335 1.00 0.00 O ATOM 875 CB THR A 60 11.625 -8.319 -2.257 1.00 0.00 C ATOM 876 OG1 THR A 60 11.434 -9.711 -1.980 1.00 0.00 O ATOM 877 CG2 THR A 60 11.840 -7.563 -0.954 1.00 0.00 C ATOM 0 H THR A 60 9.322 -8.272 -1.302 1.00 0.00 H new ATOM 0 HA THR A 60 10.584 -6.711 -3.250 1.00 0.00 H new ATOM 0 HB THR A 60 12.508 -8.191 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.212 -10.058 -1.496 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.704 -7.975 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.014 -6.509 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.956 -7.663 -0.325 1.00 0.00 H new ATOM 885 N ASP A 61 9.399 -9.569 -4.281 1.00 0.00 N ATOM 886 CA ASP A 61 9.146 -10.394 -5.457 1.00 0.00 C ATOM 887 C ASP A 61 7.928 -9.888 -6.223 1.00 0.00 C ATOM 888 O ASP A 61 7.015 -9.301 -5.642 1.00 0.00 O ATOM 889 CB ASP A 61 8.936 -11.853 -5.047 1.00 0.00 C ATOM 890 CG ASP A 61 10.243 -12.570 -4.772 1.00 0.00 C ATOM 891 OD1 ASP A 61 11.146 -12.508 -5.632 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.362 -13.195 -3.697 1.00 0.00 O ATOM 0 H ASP A 61 8.882 -9.852 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 61 10.016 -10.330 -6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.310 -11.891 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.397 -12.376 -5.837 1.00 0.00 H new ATOM 897 N VAL A 62 7.922 -10.117 -7.533 1.00 0.00 N ATOM 898 CA VAL A 62 6.817 -9.684 -8.379 1.00 0.00 C ATOM 899 C VAL A 62 5.999 -10.875 -8.867 1.00 0.00 C ATOM 900 O VAL A 62 4.845 -10.727 -9.266 1.00 0.00 O ATOM 901 CB VAL A 62 7.321 -8.889 -9.598 1.00 0.00 C ATOM 902 CG1 VAL A 62 8.232 -9.751 -10.459 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.150 -8.359 -10.410 1.00 0.00 C ATOM 0 H VAL A 62 8.670 -10.600 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 62 6.186 -9.038 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 62 7.899 -8.037 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.578 -9.172 -11.315 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.090 -10.075 -9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.682 -10.624 -10.810 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.525 -7.800 -11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.542 -9.194 -10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.542 -7.703 -9.787 1.00 0.00 H new ATOM 913 N ASN A 63 6.606 -12.057 -8.832 1.00 0.00 N ATOM 914 CA ASN A 63 5.934 -13.275 -9.270 1.00 0.00 C ATOM 915 C ASN A 63 5.393 -14.057 -8.078 1.00 0.00 C ATOM 916 O ASN A 63 4.567 -14.956 -8.235 1.00 0.00 O ATOM 917 CB ASN A 63 6.896 -14.151 -10.076 1.00 0.00 C ATOM 918 CG ASN A 63 8.103 -14.581 -9.265 1.00 0.00 C ATOM 919 OD1 ASN A 63 8.139 -15.687 -8.724 1.00 0.00 O ATOM 920 ND2 ASN A 63 9.099 -13.707 -9.177 1.00 0.00 N ATOM 0 H ASN A 63 7.562 -12.197 -8.505 1.00 0.00 H new ATOM 0 HA ASN A 63 5.095 -12.989 -9.904 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.367 -15.035 -10.432 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.230 -13.603 -10.957 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.937 -13.941 -8.645 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.026 -12.802 -9.642 1.00 0.00 H new ATOM 927 N ALA A 64 5.865 -13.709 -6.885 1.00 0.00 N ATOM 928 CA ALA A 64 5.427 -14.376 -5.666 1.00 0.00 C ATOM 929 C ALA A 64 3.914 -14.285 -5.503 1.00 0.00 C ATOM 930 O ALA A 64 3.307 -13.265 -5.827 1.00 0.00 O ATOM 931 CB ALA A 64 6.128 -13.777 -4.455 1.00 0.00 C ATOM 0 H ALA A 64 6.551 -12.969 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 64 5.695 -15.430 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.791 -14.285 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.206 -13.901 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.890 -12.716 -4.385 1.00 0.00 H new ATOM 937 N GLU A 65 3.312 -15.357 -4.998 1.00 0.00 N ATOM 938 CA GLU A 65 1.868 -15.396 -4.794 1.00 0.00 C ATOM 939 C GLU A 65 1.428 -14.315 -3.812 1.00 0.00 C ATOM 940 O GLU A 65 2.061 -14.107 -2.777 1.00 0.00 O ATOM 941 CB GLU A 65 1.441 -16.773 -4.280 1.00 0.00 C ATOM 942 CG GLU A 65 1.192 -17.785 -5.385 1.00 0.00 C ATOM 943 CD GLU A 65 2.440 -18.562 -5.757 1.00 0.00 C ATOM 944 OE1 GLU A 65 2.926 -19.343 -4.911 1.00 0.00 O ATOM 945 OE2 GLU A 65 2.931 -18.390 -6.892 1.00 0.00 O ATOM 0 H GLU A 65 3.801 -16.209 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 65 1.386 -15.208 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.213 -17.158 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.533 -16.664 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.416 -18.482 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.814 -17.268 -6.267 1.00 0.00 H new ATOM 952 N ILE A 66 0.340 -13.629 -4.145 1.00 0.00 N ATOM 953 CA ILE A 66 -0.186 -12.569 -3.293 1.00 0.00 C ATOM 954 C ILE A 66 -0.144 -12.974 -1.824 1.00 0.00 C ATOM 955 O ILE A 66 -0.049 -12.125 -0.937 1.00 0.00 O ATOM 956 CB ILE A 66 -1.634 -12.208 -3.673 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.006 -10.837 -3.104 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.595 -13.274 -3.171 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.259 -9.691 -3.751 1.00 0.00 C ATOM 0 H ILE A 66 -0.195 -13.788 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 66 0.449 -11.696 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.709 -12.163 -4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.077 -10.679 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.807 -10.831 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.614 -13.004 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.340 -14.234 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.521 -13.349 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.573 -8.750 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.188 -9.825 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.478 -9.671 -4.819 1.00 0.00 H new ATOM 971 N HIS A 67 -0.212 -14.278 -1.572 1.00 0.00 N ATOM 972 CA HIS A 67 -0.180 -14.796 -0.209 1.00 0.00 C ATOM 973 C HIS A 67 1.050 -14.287 0.536 1.00 0.00 C ATOM 974 O HIS A 67 0.953 -13.834 1.677 1.00 0.00 O ATOM 975 CB HIS A 67 -0.185 -16.325 -0.223 1.00 0.00 C ATOM 976 CG HIS A 67 -0.927 -16.911 -1.384 1.00 0.00 C ATOM 977 ND1 HIS A 67 -0.478 -18.009 -2.087 1.00 0.00 N ATOM 978 CD2 HIS A 67 -2.095 -16.547 -1.964 1.00 0.00 C ATOM 979 CE1 HIS A 67 -1.336 -18.294 -3.050 1.00 0.00 C ATOM 980 NE2 HIS A 67 -2.327 -17.422 -2.997 1.00 0.00 N ATOM 0 H HIS A 67 -0.290 -14.995 -2.294 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.070 -14.441 0.310 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.844 -16.683 -0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.631 -16.687 0.703 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.727 -15.722 -1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.243 -19.102 -3.760 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.133 -17.402 -3.622 1.00 0.00 H new ATOM 989 N ASP A 68 2.205 -14.364 -0.115 1.00 0.00 N ATOM 990 CA ASP A 68 3.454 -13.910 0.486 1.00 0.00 C ATOM 991 C ASP A 68 3.458 -12.394 0.650 1.00 0.00 C ATOM 992 O ASP A 68 4.020 -11.865 1.610 1.00 0.00 O ATOM 993 CB ASP A 68 4.644 -14.346 -0.369 1.00 0.00 C ATOM 994 CG ASP A 68 5.949 -14.330 0.403 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.394 -13.230 0.791 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.525 -15.417 0.618 1.00 0.00 O ATOM 0 H ASP A 68 2.303 -14.737 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 68 3.540 -14.364 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.464 -15.351 -0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.728 -13.686 -1.233 1.00 0.00 H new ATOM 1001 N TRP A 69 2.830 -11.700 -0.292 1.00 0.00 N ATOM 1002 CA TRP A 69 2.763 -10.244 -0.252 1.00 0.00 C ATOM 1003 C TRP A 69 2.157 -9.763 1.062 1.00 0.00 C ATOM 1004 O TRP A 69 1.069 -10.190 1.449 1.00 0.00 O ATOM 1005 CB TRP A 69 1.941 -9.718 -1.430 1.00 0.00 C ATOM 1006 CG TRP A 69 2.629 -9.876 -2.752 1.00 0.00 C ATOM 1007 CD1 TRP A 69 3.122 -11.032 -3.286 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.901 -8.843 -3.705 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.684 -10.781 -4.514 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.561 -9.446 -4.795 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.649 -7.470 -3.746 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.972 -8.719 -5.909 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.059 -6.750 -4.853 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.713 -7.376 -5.922 1.00 0.00 C ATOM 0 H TRP A 69 2.360 -12.122 -1.093 1.00 0.00 H new ATOM 0 HA TRP A 69 3.779 -9.856 -0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.986 -10.243 -1.460 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.720 -8.663 -1.267 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.077 -12.002 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.122 -11.476 -5.119 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.143 -6.979 -2.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.478 -9.199 -6.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.872 -5.687 -4.894 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.019 -6.786 -6.774 1.00 0.00 H new ATOM 1025 N VAL A 70 2.867 -8.870 1.745 1.00 0.00 N ATOM 1026 CA VAL A 70 2.398 -8.330 3.015 1.00 0.00 C ATOM 1027 C VAL A 70 1.069 -7.603 2.846 1.00 0.00 C ATOM 1028 O VAL A 70 0.761 -7.094 1.768 1.00 0.00 O ATOM 1029 CB VAL A 70 3.427 -7.361 3.627 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.492 -6.072 2.821 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.087 -7.072 5.082 1.00 0.00 C ATOM 0 H VAL A 70 3.769 -8.506 1.439 1.00 0.00 H new ATOM 0 HA VAL A 70 2.262 -9.177 3.688 1.00 0.00 H new ATOM 0 HB VAL A 70 4.409 -7.833 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.224 -5.400 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.786 -6.298 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.513 -5.593 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.824 -6.386 5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.097 -6.620 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.096 -8.003 5.650 1.00 0.00 H new ATOM 1041 N ILE A 71 0.285 -7.558 3.918 1.00 0.00 N ATOM 1042 CA ILE A 71 -1.011 -6.892 3.888 1.00 0.00 C ATOM 1043 C ILE A 71 -0.992 -5.614 4.720 1.00 0.00 C ATOM 1044 O ILE A 71 -0.883 -5.662 5.945 1.00 0.00 O ATOM 1045 CB ILE A 71 -2.130 -7.813 4.408 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.147 -9.126 3.622 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.479 -7.115 4.313 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.961 -10.216 4.283 1.00 0.00 C ATOM 0 H ILE A 71 0.525 -7.975 4.818 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.213 -6.642 2.846 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.934 -8.041 5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.547 -8.938 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.123 -9.476 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.259 -7.779 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.461 -6.205 4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.684 -6.860 3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.928 -11.117 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.548 -10.432 5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.995 -9.886 4.387 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.099 -4.473 4.046 1.00 0.00 N ATOM 1061 CA GLU A 72 -1.095 -3.183 4.724 1.00 0.00 C ATOM 1062 C GLU A 72 -2.490 -2.563 4.724 1.00 0.00 C ATOM 1063 O GLU A 72 -2.833 -1.747 3.868 1.00 0.00 O ATOM 1064 CB GLU A 72 -0.102 -2.232 4.052 1.00 0.00 C ATOM 1065 CG GLU A 72 1.330 -2.411 4.528 1.00 0.00 C ATOM 1066 CD GLU A 72 1.524 -1.978 5.969 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.457 -0.759 6.235 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.743 -2.856 6.829 1.00 0.00 O ATOM 0 H GLU A 72 -1.189 -4.416 3.032 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.789 -3.346 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.139 -2.384 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.412 -1.204 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.615 -3.458 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.997 -1.835 3.886 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.313 -2.959 5.706 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.683 -2.456 5.841 1.00 0.00 C ATOM 1077 C PRO A 73 -4.723 -0.992 6.265 1.00 0.00 C ATOM 1078 O PRO A 73 -4.020 -0.583 7.189 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.281 -3.345 6.934 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.110 -3.805 7.732 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.969 -3.929 6.760 1.00 0.00 C ATOM 0 HA PRO A 73 -5.226 -2.494 4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.988 -2.791 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.824 -4.188 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.873 -3.093 8.523 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.317 -4.760 8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.014 -3.692 7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.887 -4.941 6.364 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.552 -0.206 5.583 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.685 1.213 5.891 1.00 0.00 C ATOM 1091 C VAL A 74 -7.079 1.533 6.418 1.00 0.00 C ATOM 1092 O VAL A 74 -8.056 0.872 6.063 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.405 2.084 4.651 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.369 3.557 5.031 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.101 1.664 3.989 1.00 0.00 C ATOM 0 H VAL A 74 -6.141 -0.528 4.815 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.948 1.441 6.661 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.213 1.937 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.170 4.157 4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.330 3.846 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.581 3.724 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.919 2.289 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.280 1.781 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.169 0.621 3.681 1.00 0.00 H new ATOM 1105 N VAL A 75 -7.165 2.551 7.268 1.00 0.00 N ATOM 1106 CA VAL A 75 -8.441 2.960 7.844 1.00 0.00 C ATOM 1107 C VAL A 75 -8.740 4.422 7.535 1.00 0.00 C ATOM 1108 O VAL A 75 -7.987 5.083 6.821 1.00 0.00 O ATOM 1109 CB VAL A 75 -8.458 2.756 9.371 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -8.233 1.292 9.717 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -7.413 3.637 10.038 1.00 0.00 C ATOM 0 H VAL A 75 -6.367 3.108 7.573 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.208 2.332 7.392 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.439 3.047 9.748 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.248 1.168 10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.023 0.687 9.271 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.267 0.971 9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.439 3.480 11.116 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.424 3.380 9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.626 4.683 9.819 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.846 4.923 8.078 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.225 6.304 7.848 1.00 0.00 C ATOM 1123 C GLY A 76 -10.354 6.633 6.374 1.00 0.00 C ATOM 1124 O GLY A 76 -9.924 7.696 5.928 1.00 0.00 O ATOM 0 H GLY A 76 -10.486 4.396 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.174 6.505 8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.482 6.961 8.300 1.00 0.00 H new ATOM 1128 N ASN A 77 -10.947 5.717 5.615 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.130 5.914 4.181 1.00 0.00 C ATOM 1130 C ASN A 77 -9.930 6.635 3.574 1.00 0.00 C ATOM 1131 O ASN A 77 -10.067 7.382 2.605 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.408 6.711 3.913 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.397 8.067 4.594 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -11.485 8.869 4.390 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -13.413 8.328 5.408 1.00 0.00 N ATOM 0 H ASN A 77 -11.309 4.831 5.969 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.217 4.934 3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.529 6.848 2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.269 6.140 4.260 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.460 9.223 5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.147 7.633 5.547 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.755 6.406 4.151 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.531 7.034 3.667 1.00 0.00 C ATOM 1144 C ARG A 78 -7.191 6.551 2.261 1.00 0.00 C ATOM 1145 O ARG A 78 -7.256 5.355 1.971 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.369 6.734 4.616 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.318 7.831 4.658 1.00 0.00 C ATOM 1148 CD ARG A 78 -5.634 8.865 5.727 1.00 0.00 C ATOM 1149 NE ARG A 78 -4.662 9.955 5.739 1.00 0.00 N ATOM 1150 CZ ARG A 78 -4.560 10.860 4.771 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -5.367 10.806 3.721 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -3.649 11.821 4.854 1.00 0.00 N ATOM 0 H ARG A 78 -8.625 5.791 4.954 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.694 8.111 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.762 6.581 5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.895 5.800 4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.340 7.392 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.260 8.318 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.631 9.270 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.650 8.383 6.704 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.027 10.026 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.069 10.069 3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.287 11.502 2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.027 11.865 5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.571 12.515 4.111 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.829 7.487 1.390 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.479 7.157 0.013 1.00 0.00 C ATOM 1168 C LEU A 79 -4.965 7.127 -0.171 1.00 0.00 C ATOM 1169 O LEU A 79 -4.467 6.912 -1.277 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.101 8.171 -0.949 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.627 8.264 -0.931 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.097 9.481 -1.712 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.245 6.993 -1.497 1.00 0.00 C ATOM 0 H LEU A 79 -6.770 8.481 1.613 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.874 6.165 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.694 9.156 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.784 7.923 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.953 8.374 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.186 9.531 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.683 10.384 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.760 9.402 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.332 7.076 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.911 6.853 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.935 6.139 -0.895 1.00 0.00 H new ATOM 1185 N THR A 80 -4.236 7.341 0.920 1.00 0.00 N ATOM 1186 CA THR A 80 -2.780 7.337 0.879 1.00 0.00 C ATOM 1187 C THR A 80 -2.198 6.612 2.087 1.00 0.00 C ATOM 1188 O THR A 80 -2.765 6.650 3.180 1.00 0.00 O ATOM 1189 CB THR A 80 -2.215 8.769 0.833 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.805 8.748 1.080 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.902 9.654 1.862 1.00 0.00 C ATOM 0 H THR A 80 -4.631 7.519 1.843 1.00 0.00 H new ATOM 0 HA THR A 80 -2.491 6.811 -0.031 1.00 0.00 H new ATOM 0 HB THR A 80 -2.403 9.179 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.454 9.662 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.487 10.661 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.971 9.692 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.741 9.245 2.859 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.062 5.951 1.885 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.403 5.217 2.959 1.00 0.00 C ATOM 1201 C HIS A 81 1.086 5.549 3.009 1.00 0.00 C ATOM 1202 O HIS A 81 1.750 5.622 1.976 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.595 3.712 2.771 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.507 2.933 4.046 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -1.142 3.317 5.209 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.145 1.783 4.338 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.882 2.439 6.161 1.00 0.00 C ATOM 1208 NE2 HIS A 81 -0.103 1.498 5.658 1.00 0.00 N ATOM 0 H HIS A 81 -0.579 5.909 0.987 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.857 5.518 3.903 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.567 3.533 2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.159 3.342 2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.748 1.199 3.659 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.244 2.483 7.177 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.256 0.691 6.168 1.00 0.00 H new ATOM 1217 N GLN A 82 1.602 5.751 4.217 1.00 0.00 N ATOM 1218 CA GLN A 82 3.011 6.077 4.401 1.00 0.00 C ATOM 1219 C GLN A 82 3.785 4.870 4.922 1.00 0.00 C ATOM 1220 O GLN A 82 3.730 4.550 6.109 1.00 0.00 O ATOM 1221 CB GLN A 82 3.162 7.251 5.369 1.00 0.00 C ATOM 1222 CG GLN A 82 3.121 8.610 4.689 1.00 0.00 C ATOM 1223 CD GLN A 82 2.653 9.713 5.617 1.00 0.00 C ATOM 1224 OE1 GLN A 82 1.974 9.458 6.612 1.00 0.00 O ATOM 1225 NE2 GLN A 82 3.015 10.950 5.296 1.00 0.00 N ATOM 0 H GLN A 82 1.065 5.695 5.083 1.00 0.00 H new ATOM 0 HA GLN A 82 3.423 6.359 3.432 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.367 7.202 6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.106 7.150 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.115 8.854 4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.457 8.560 3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.578 11.116 4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.730 11.734 5.883 1.00 0.00 H new ATOM 1234 N ILE A 83 4.506 4.205 4.026 1.00 0.00 N ATOM 1235 CA ILE A 83 5.292 3.034 4.395 1.00 0.00 C ATOM 1236 C ILE A 83 6.746 3.410 4.663 1.00 0.00 C ATOM 1237 O ILE A 83 7.306 4.277 3.992 1.00 0.00 O ATOM 1238 CB ILE A 83 5.246 1.956 3.297 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.808 1.483 3.076 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.144 0.784 3.667 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.662 0.507 1.929 1.00 0.00 C ATOM 0 H ILE A 83 4.562 4.457 3.039 1.00 0.00 H new ATOM 0 HA ILE A 83 4.849 2.631 5.306 1.00 0.00 H new ATOM 0 HB ILE A 83 5.613 2.390 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.444 1.014 3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.174 2.349 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.101 0.030 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.170 1.133 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.805 0.348 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.617 0.215 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.995 0.979 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.269 -0.377 2.124 1.00 0.00 H new ATOM 1253 N GLN A 84 7.351 2.750 5.645 1.00 0.00 N ATOM 1254 CA GLN A 84 8.740 3.015 6.000 1.00 0.00 C ATOM 1255 C GLN A 84 9.489 1.715 6.273 1.00 0.00 C ATOM 1256 O GLN A 84 8.924 0.627 6.159 1.00 0.00 O ATOM 1257 CB GLN A 84 8.810 3.925 7.227 1.00 0.00 C ATOM 1258 CG GLN A 84 7.740 3.630 8.266 1.00 0.00 C ATOM 1259 CD GLN A 84 8.203 2.641 9.316 1.00 0.00 C ATOM 1260 OE1 GLN A 84 7.870 1.456 9.260 1.00 0.00 O ATOM 1261 NE2 GLN A 84 8.975 3.121 10.283 1.00 0.00 N ATOM 0 H GLN A 84 6.902 2.028 6.209 1.00 0.00 H new ATOM 0 HA GLN A 84 9.215 3.517 5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.792 3.822 7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.716 4.962 6.905 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.446 4.560 8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.854 3.237 7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.227 4.109 10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.316 2.501 11.018 1.00 0.00 H new ATOM 1270 N GLU A 85 10.763 1.836 6.632 1.00 0.00 N ATOM 1271 CA GLU A 85 11.589 0.669 6.920 1.00 0.00 C ATOM 1272 C GLU A 85 11.733 -0.214 5.683 1.00 0.00 C ATOM 1273 O GLU A 85 11.558 -1.431 5.751 1.00 0.00 O ATOM 1274 CB GLU A 85 10.986 -0.140 8.070 1.00 0.00 C ATOM 1275 CG GLU A 85 11.457 0.309 9.443 1.00 0.00 C ATOM 1276 CD GLU A 85 11.450 -0.817 10.459 1.00 0.00 C ATOM 1277 OE1 GLU A 85 10.657 -1.766 10.287 1.00 0.00 O ATOM 1278 OE2 GLU A 85 12.238 -0.748 11.425 1.00 0.00 O ATOM 0 H GLU A 85 11.245 2.729 6.730 1.00 0.00 H new ATOM 0 HA GLU A 85 12.579 1.020 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.900 -0.065 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.238 -1.192 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.466 0.714 9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.816 1.117 9.797 1.00 0.00 H new ATOM 1285 N LEU A 86 12.053 0.408 4.554 1.00 0.00 N ATOM 1286 CA LEU A 86 12.220 -0.319 3.300 1.00 0.00 C ATOM 1287 C LEU A 86 13.674 -0.282 2.839 1.00 0.00 C ATOM 1288 O LEU A 86 14.475 0.510 3.337 1.00 0.00 O ATOM 1289 CB LEU A 86 11.314 0.273 2.219 1.00 0.00 C ATOM 1290 CG LEU A 86 9.813 0.231 2.504 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.045 0.994 1.436 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.326 -1.209 2.588 1.00 0.00 C ATOM 0 H LEU A 86 12.202 1.414 4.481 1.00 0.00 H new ATOM 0 HA LEU A 86 11.939 -1.358 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.604 1.311 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.501 -0.258 1.286 1.00 0.00 H new ATOM 0 HG LEU A 86 9.632 0.712 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.978 0.953 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.373 2.033 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.232 0.543 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.255 -1.220 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.521 -1.715 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.853 -1.725 3.391 1.00 0.00 H new ATOM 1304 N THR A 87 14.008 -1.142 1.882 1.00 0.00 N ATOM 1305 CA THR A 87 15.364 -1.207 1.352 1.00 0.00 C ATOM 1306 C THR A 87 15.568 -0.188 0.237 1.00 0.00 C ATOM 1307 O THR A 87 14.627 0.164 -0.476 1.00 0.00 O ATOM 1308 CB THR A 87 15.689 -2.613 0.813 1.00 0.00 C ATOM 1309 OG1 THR A 87 15.028 -3.606 1.604 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.190 -2.864 0.827 1.00 0.00 C ATOM 0 H THR A 87 13.357 -1.803 1.458 1.00 0.00 H new ATOM 0 HA THR A 87 16.038 -0.977 2.178 1.00 0.00 H new ATOM 0 HB THR A 87 15.335 -2.674 -0.216 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.238 -4.497 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.395 -3.863 0.442 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.688 -2.124 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.563 -2.785 1.848 1.00 0.00 H new ATOM 1318 N LEU A 88 16.801 0.283 0.091 1.00 0.00 N ATOM 1319 CA LEU A 88 17.130 1.262 -0.939 1.00 0.00 C ATOM 1320 C LEU A 88 17.766 0.587 -2.149 1.00 0.00 C ATOM 1321 O LEU A 88 18.066 -0.607 -2.121 1.00 0.00 O ATOM 1322 CB LEU A 88 18.075 2.325 -0.377 1.00 0.00 C ATOM 1323 CG LEU A 88 17.756 2.831 1.030 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.982 3.479 1.655 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.593 3.811 0.994 1.00 0.00 C ATOM 0 H LEU A 88 17.590 0.003 0.673 1.00 0.00 H new ATOM 0 HA LEU A 88 16.205 1.741 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.086 1.918 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.076 3.177 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 88 17.467 1.978 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.736 3.833 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.788 2.748 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.302 4.321 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.380 4.160 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.853 4.661 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.711 3.315 0.589 1.00 0.00 H new ATOM 1337 N ASP A 89 17.972 1.359 -3.210 1.00 0.00 N ATOM 1338 CA ASP A 89 18.577 0.837 -4.430 1.00 0.00 C ATOM 1339 C ASP A 89 17.965 -0.509 -4.807 1.00 0.00 C ATOM 1340 O ASP A 89 18.637 -1.373 -5.372 1.00 0.00 O ATOM 1341 CB ASP A 89 20.089 0.692 -4.254 1.00 0.00 C ATOM 1342 CG ASP A 89 20.770 0.164 -5.501 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.395 0.598 -6.611 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.678 -0.682 -5.368 1.00 0.00 O ATOM 0 H ASP A 89 17.729 2.349 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 89 18.379 1.544 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.516 1.660 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.292 0.019 -3.421 1.00 0.00 H new ATOM 1349 N THR A 90 16.686 -0.681 -4.490 1.00 0.00 N ATOM 1350 CA THR A 90 15.983 -1.921 -4.793 1.00 0.00 C ATOM 1351 C THR A 90 14.555 -1.647 -5.251 1.00 0.00 C ATOM 1352 O THR A 90 13.767 -1.005 -4.556 1.00 0.00 O ATOM 1353 CB THR A 90 15.948 -2.859 -3.572 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.267 -3.332 -3.278 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.025 -4.042 -3.824 1.00 0.00 C ATOM 0 H THR A 90 16.115 0.024 -4.023 1.00 0.00 H new ATOM 0 HA THR A 90 16.532 -2.407 -5.600 1.00 0.00 H new ATOM 0 HB THR A 90 15.567 -2.295 -2.721 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.789 -2.611 -2.868 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.017 -4.690 -2.948 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.015 -3.681 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.381 -4.604 -4.688 1.00 0.00 H new ATOM 1363 N PRO A 91 14.211 -2.144 -6.448 1.00 0.00 N ATOM 1364 CA PRO A 91 12.875 -1.966 -7.025 1.00 0.00 C ATOM 1365 C PRO A 91 11.811 -2.763 -6.279 1.00 0.00 C ATOM 1366 O PRO A 91 11.821 -3.994 -6.290 1.00 0.00 O ATOM 1367 CB PRO A 91 13.033 -2.492 -8.454 1.00 0.00 C ATOM 1368 CG PRO A 91 14.166 -3.456 -8.380 1.00 0.00 C ATOM 1369 CD PRO A 91 15.100 -2.919 -7.331 1.00 0.00 C ATOM 0 HA PRO A 91 12.543 -0.929 -6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.121 -2.979 -8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.247 -1.683 -9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.813 -4.453 -8.115 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.669 -3.542 -9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.602 -3.722 -6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.878 -2.293 -7.768 1.00 0.00 H new ATOM 1377 N TYR A 92 10.893 -2.054 -5.631 1.00 0.00 N ATOM 1378 CA TYR A 92 9.822 -2.696 -4.878 1.00 0.00 C ATOM 1379 C TYR A 92 8.494 -2.590 -5.621 1.00 0.00 C ATOM 1380 O TYR A 92 8.180 -1.555 -6.210 1.00 0.00 O ATOM 1381 CB TYR A 92 9.696 -2.063 -3.491 1.00 0.00 C ATOM 1382 CG TYR A 92 10.535 -2.747 -2.435 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.912 -2.571 -2.392 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.949 -3.567 -1.479 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.682 -3.194 -1.429 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.710 -4.193 -0.511 1.00 0.00 C ATOM 1387 CZ TYR A 92 12.077 -4.004 -0.491 1.00 0.00 C ATOM 1388 OH TYR A 92 12.840 -4.626 0.471 1.00 0.00 O ATOM 0 H TYR A 92 10.869 -1.034 -5.612 1.00 0.00 H new ATOM 0 HA TYR A 92 10.072 -3.751 -4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.987 -1.014 -3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.650 -2.086 -3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.389 -1.936 -3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.880 -3.718 -1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.752 -3.048 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.238 -4.826 0.226 1.00 0.00 H new ATOM 0 HH TYR A 92 13.530 -4.008 0.791 1.00 0.00 H new ATOM 1398 N TYR A 93 7.718 -3.667 -5.587 1.00 0.00 N ATOM 1399 CA TYR A 93 6.424 -3.698 -6.258 1.00 0.00 C ATOM 1400 C TYR A 93 5.285 -3.552 -5.253 1.00 0.00 C ATOM 1401 O TYR A 93 5.193 -4.311 -4.288 1.00 0.00 O ATOM 1402 CB TYR A 93 6.263 -5.001 -7.043 1.00 0.00 C ATOM 1403 CG TYR A 93 7.512 -5.419 -7.785 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.480 -6.204 -7.170 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.724 -5.030 -9.102 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.623 -6.587 -7.845 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.863 -5.410 -9.785 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.810 -6.188 -9.152 1.00 0.00 C ATOM 1409 OH TYR A 93 10.947 -6.569 -9.827 1.00 0.00 O ATOM 0 H TYR A 93 7.962 -4.530 -5.102 1.00 0.00 H new ATOM 0 HA TYR A 93 6.383 -2.857 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.976 -5.796 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.447 -4.887 -7.757 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.336 -6.520 -6.147 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.985 -4.420 -9.600 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.366 -7.196 -7.352 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.011 -5.100 -10.809 1.00 0.00 H new ATOM 0 HH TYR A 93 10.924 -6.206 -10.737 1.00 0.00 H new ATOM 1419 N PHE A 94 4.420 -2.571 -5.487 1.00 0.00 N ATOM 1420 CA PHE A 94 3.287 -2.324 -4.604 1.00 0.00 C ATOM 1421 C PHE A 94 1.970 -2.653 -5.302 1.00 0.00 C ATOM 1422 O PHE A 94 1.938 -2.897 -6.508 1.00 0.00 O ATOM 1423 CB PHE A 94 3.282 -0.865 -4.141 1.00 0.00 C ATOM 1424 CG PHE A 94 4.605 -0.403 -3.602 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.595 0.055 -4.457 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.859 -0.427 -2.240 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.814 0.482 -3.964 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.076 -0.001 -1.741 1.00 0.00 C ATOM 1429 CZ PHE A 94 7.055 0.453 -2.604 1.00 0.00 C ATOM 0 H PHE A 94 4.482 -1.934 -6.281 1.00 0.00 H new ATOM 0 HA PHE A 94 3.388 -2.973 -3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.997 -0.228 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.521 -0.739 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.412 0.079 -5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.098 -0.782 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.577 0.838 -4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.261 -0.023 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 94 8.007 0.785 -2.216 1.00 0.00 H new ATOM 1439 N LYS A 95 0.886 -2.657 -4.535 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.435 -2.955 -5.077 1.00 0.00 C ATOM 1441 C LYS A 95 -1.526 -2.278 -4.254 1.00 0.00 C ATOM 1442 O LYS A 95 -1.448 -2.225 -3.027 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.667 -4.467 -5.107 1.00 0.00 C ATOM 1444 CG LYS A 95 -0.205 -5.128 -6.394 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.383 -6.636 -6.341 1.00 0.00 C ATOM 1446 CE LYS A 95 0.055 -7.295 -7.640 1.00 0.00 C ATOM 1447 NZ LYS A 95 0.154 -8.775 -7.506 1.00 0.00 N ATOM 0 H LYS A 95 0.896 -2.457 -3.535 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.479 -2.567 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.144 -4.923 -4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.730 -4.666 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.769 -4.723 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.844 -4.890 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.196 -7.043 -5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.429 -6.873 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.655 -7.049 -8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.021 -6.892 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.455 -9.186 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.850 -9.011 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.774 -9.162 -7.241 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.543 -1.764 -4.938 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.651 -1.093 -4.269 1.00 0.00 C ATOM 1463 C ILE A 96 -4.969 -1.812 -4.534 1.00 0.00 C ATOM 1464 O ILE A 96 -5.150 -2.430 -5.582 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.779 0.373 -4.724 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.465 1.120 -4.484 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.924 1.056 -3.992 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.227 2.251 -5.460 1.00 0.00 C ATOM 0 H ILE A 96 -2.623 -1.799 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.435 -1.116 -3.201 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.995 0.390 -5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.463 1.519 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.637 0.414 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.002 2.091 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.856 0.534 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.735 1.032 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.278 2.736 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.196 1.855 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.035 2.978 -5.378 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.887 -1.725 -3.576 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.190 -2.367 -3.707 1.00 0.00 C ATOM 1482 C GLN A 97 -8.206 -1.732 -2.764 1.00 0.00 C ATOM 1483 O GLN A 97 -7.853 -1.249 -1.689 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.075 -3.865 -3.419 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.417 -4.551 -3.222 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.372 -6.029 -3.559 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.273 -6.408 -4.726 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.444 -6.872 -2.536 1.00 0.00 N ATOM 0 H GLN A 97 -5.753 -1.217 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.535 -2.227 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.548 -4.346 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.468 -4.009 -2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.735 -4.428 -2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.166 -4.063 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.525 -6.514 -1.585 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.418 -7.878 -2.701 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.470 -1.737 -3.175 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.539 -1.163 -2.366 1.00 0.00 C ATOM 1499 C ALA A 98 -11.460 -2.250 -1.822 1.00 0.00 C ATOM 1500 O ALA A 98 -11.688 -3.268 -2.476 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.334 -0.154 -3.181 1.00 0.00 C ATOM 0 H ALA A 98 -9.779 -2.132 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.084 -0.651 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.129 0.266 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.673 0.645 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.771 -0.650 -4.048 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.985 -2.027 -0.622 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.880 -2.989 0.011 1.00 0.00 C ATOM 1509 C ARG A 99 -13.865 -2.286 0.940 1.00 0.00 C ATOM 1510 O ARG A 99 -13.569 -1.223 1.484 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.075 -4.027 0.795 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.441 -3.476 2.061 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.245 -4.565 3.105 1.00 0.00 C ATOM 1514 NE ARG A 99 -11.150 -4.017 4.456 1.00 0.00 N ATOM 1515 CZ ARG A 99 -10.675 -4.698 5.493 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -10.254 -5.945 5.335 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -10.621 -4.130 6.691 1.00 0.00 N ATOM 0 H ARG A 99 -11.806 -1.189 -0.068 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.444 -3.493 -0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.729 -4.858 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.292 -4.429 0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.479 -3.024 1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.071 -2.686 2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.077 -5.268 3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.339 -5.127 2.877 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.466 -3.060 4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.294 -6.384 4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.890 -6.465 6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.944 -3.171 6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.256 -4.653 7.487 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.038 -2.887 1.115 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.067 -2.318 1.977 1.00 0.00 C ATOM 1533 C ASN A 100 -16.499 -3.320 3.043 1.00 0.00 C ATOM 1534 O ASN A 100 -16.092 -4.481 3.019 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.277 -1.886 1.146 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.794 -3.001 0.257 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.409 -4.160 0.408 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.672 -2.653 -0.677 1.00 0.00 N ATOM 0 H ASN A 100 -15.299 -3.768 0.671 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.646 -1.444 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.074 -1.557 1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.004 -1.030 0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -19.055 -3.359 -1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.963 -1.679 -0.766 1.00 0.00 H new ATOM 1545 N SER A 101 -17.328 -2.863 3.976 1.00 0.00 N ATOM 1546 CA SER A 101 -17.814 -3.718 5.053 1.00 0.00 C ATOM 1547 C SER A 101 -18.046 -5.141 4.554 1.00 0.00 C ATOM 1548 O SER A 101 -17.801 -6.111 5.271 1.00 0.00 O ATOM 1549 CB SER A 101 -19.109 -3.152 5.637 1.00 0.00 C ATOM 1550 OG SER A 101 -18.909 -1.849 6.155 1.00 0.00 O ATOM 0 H SER A 101 -17.677 -1.905 4.008 1.00 0.00 H new ATOM 0 HA SER A 101 -17.054 -3.745 5.834 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.878 -3.126 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.473 -3.809 6.427 1.00 0.00 H new ATOM 0 HG SER A 101 -19.752 -1.509 6.521 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.520 -5.257 3.318 1.00 0.00 N ATOM 1557 CA LYS A 102 -18.785 -6.560 2.719 1.00 0.00 C ATOM 1558 C LYS A 102 -17.491 -7.344 2.527 1.00 0.00 C ATOM 1559 O LYS A 102 -17.211 -8.288 3.265 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.496 -6.391 1.374 1.00 0.00 C ATOM 1561 CG LYS A 102 -20.823 -5.658 1.475 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.937 -6.583 1.934 1.00 0.00 C ATOM 1563 CE LYS A 102 -22.535 -7.357 0.769 1.00 0.00 C ATOM 1564 NZ LYS A 102 -21.736 -8.570 0.441 1.00 0.00 N ATOM 0 H LYS A 102 -18.729 -4.464 2.711 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.430 -7.119 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.841 -5.848 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.666 -7.375 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -20.728 -4.827 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.079 -5.232 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.549 -7.282 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -22.717 -6.000 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -23.556 -7.650 1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -22.590 -6.710 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -22.375 -9.342 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.089 -8.358 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.185 -8.858 1.274 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.705 -6.946 1.532 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.449 -7.622 1.262 1.00 0.00 C ATOM 1580 C GLY A 103 -14.524 -6.799 0.389 1.00 0.00 C ATOM 1581 O GLY A 103 -14.731 -5.598 0.212 1.00 0.00 O ATOM 0 H GLY A 103 -16.915 -6.167 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.950 -7.845 2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.651 -8.576 0.774 1.00 0.00 H new ATOM 1585 N MET A 104 -13.499 -7.444 -0.157 1.00 0.00 N ATOM 1586 CA MET A 104 -12.537 -6.763 -1.017 1.00 0.00 C ATOM 1587 C MET A 104 -12.834 -7.036 -2.488 1.00 0.00 C ATOM 1588 O MET A 104 -13.521 -8.000 -2.824 1.00 0.00 O ATOM 1589 CB MET A 104 -11.113 -7.210 -0.680 1.00 0.00 C ATOM 1590 CG MET A 104 -10.898 -7.490 0.799 1.00 0.00 C ATOM 1591 SD MET A 104 -11.353 -9.173 1.260 1.00 0.00 S ATOM 1592 CE MET A 104 -9.857 -10.058 0.830 1.00 0.00 C ATOM 0 H MET A 104 -13.313 -8.437 -0.020 1.00 0.00 H new ATOM 0 HA MET A 104 -12.625 -5.691 -0.840 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.879 -8.109 -1.249 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.413 -6.438 -1.001 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.851 -7.319 1.049 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.485 -6.785 1.388 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.982 -11.117 1.058 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.656 -9.937 -0.234 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.021 -9.660 1.405 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.311 -6.181 -3.361 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.531 -6.348 -4.786 1.00 0.00 C ATOM 1604 C GLY A 105 -11.297 -6.850 -5.509 1.00 0.00 C ATOM 1605 O GLY A 105 -10.415 -7.473 -4.917 1.00 0.00 O ATOM 0 H GLY A 105 -11.739 -5.376 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.351 -7.049 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.838 -5.395 -5.217 1.00 0.00 H new ATOM 1609 N PRO A 106 -11.224 -6.579 -6.821 1.00 0.00 N ATOM 1610 CA PRO A 106 -10.093 -7.000 -7.654 1.00 0.00 C ATOM 1611 C PRO A 106 -8.815 -6.236 -7.325 1.00 0.00 C ATOM 1612 O PRO A 106 -8.863 -5.094 -6.869 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.560 -6.675 -9.075 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.556 -5.580 -8.906 1.00 0.00 C ATOM 1615 CD PRO A 106 -12.239 -5.841 -7.591 1.00 0.00 C ATOM 0 HA PRO A 106 -9.843 -8.050 -7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.727 -6.359 -9.703 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -11.007 -7.546 -9.554 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.068 -4.605 -8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -12.275 -5.576 -9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.524 -4.913 -7.095 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -13.150 -6.426 -7.720 1.00 0.00 H new ATOM 1623 N MET A 107 -7.673 -6.874 -7.559 1.00 0.00 N ATOM 1624 CA MET A 107 -6.382 -6.253 -7.289 1.00 0.00 C ATOM 1625 C MET A 107 -5.863 -5.519 -8.521 1.00 0.00 C ATOM 1626 O MET A 107 -6.221 -5.853 -9.651 1.00 0.00 O ATOM 1627 CB MET A 107 -5.367 -7.308 -6.845 1.00 0.00 C ATOM 1628 CG MET A 107 -5.885 -8.228 -5.752 1.00 0.00 C ATOM 1629 SD MET A 107 -4.570 -9.167 -4.952 1.00 0.00 S ATOM 1630 CE MET A 107 -5.371 -9.635 -3.420 1.00 0.00 C ATOM 0 H MET A 107 -7.616 -7.820 -7.935 1.00 0.00 H new ATOM 0 HA MET A 107 -6.517 -5.528 -6.486 1.00 0.00 H new ATOM 0 HB2 MET A 107 -5.079 -7.909 -7.708 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.466 -6.807 -6.490 1.00 0.00 H new ATOM 0 HG2 MET A 107 -6.410 -7.636 -5.003 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.612 -8.919 -6.179 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.884 -9.131 -2.586 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.421 -9.346 -3.455 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.296 -10.714 -3.285 1.00 0.00 H new ATOM 1640 N SER A 108 -5.019 -4.517 -8.296 1.00 0.00 N ATOM 1641 CA SER A 108 -4.455 -3.733 -9.388 1.00 0.00 C ATOM 1642 C SER A 108 -3.102 -4.293 -9.817 1.00 0.00 C ATOM 1643 O SER A 108 -2.602 -5.252 -9.230 1.00 0.00 O ATOM 1644 CB SER A 108 -4.304 -2.269 -8.969 1.00 0.00 C ATOM 1645 OG SER A 108 -3.400 -1.585 -9.820 1.00 0.00 O ATOM 0 H SER A 108 -4.711 -4.229 -7.367 1.00 0.00 H new ATOM 0 HA SER A 108 -5.138 -3.792 -10.235 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.277 -1.778 -8.996 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.949 -2.217 -7.940 1.00 0.00 H new ATOM 0 HG SER A 108 -3.322 -0.651 -9.532 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.516 -3.686 -10.844 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.222 -4.125 -11.353 1.00 0.00 C ATOM 1653 C GLU A 109 -0.103 -3.760 -10.380 1.00 0.00 C ATOM 1654 O GLU A 109 -0.224 -2.811 -9.607 1.00 0.00 O ATOM 1655 CB GLU A 109 -0.947 -3.498 -12.721 1.00 0.00 C ATOM 1656 CG GLU A 109 -1.960 -3.888 -13.784 1.00 0.00 C ATOM 1657 CD GLU A 109 -2.009 -2.900 -14.934 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -2.446 -1.752 -14.711 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.610 -3.276 -16.056 1.00 0.00 O ATOM 0 H GLU A 109 -2.916 -2.889 -11.340 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.251 -5.210 -11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.940 -2.413 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.048 -3.794 -13.053 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.713 -4.877 -14.170 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.948 -3.960 -13.330 1.00 0.00 H new ATOM 1666 N ALA A 110 0.984 -4.523 -10.425 1.00 0.00 N ATOM 1667 CA ALA A 110 2.124 -4.280 -9.550 1.00 0.00 C ATOM 1668 C ALA A 110 2.863 -3.008 -9.952 1.00 0.00 C ATOM 1669 O ALA A 110 3.418 -2.920 -11.048 1.00 0.00 O ATOM 1670 CB ALA A 110 3.070 -5.472 -9.573 1.00 0.00 C ATOM 0 H ALA A 110 1.099 -5.314 -11.058 1.00 0.00 H new ATOM 0 HA ALA A 110 1.750 -4.146 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.917 -5.277 -8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.542 -6.362 -9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.429 -5.632 -10.590 1.00 0.00 H new ATOM 1676 N VAL A 111 2.867 -2.024 -9.058 1.00 0.00 N ATOM 1677 CA VAL A 111 3.539 -0.757 -9.319 1.00 0.00 C ATOM 1678 C VAL A 111 5.032 -0.855 -9.025 1.00 0.00 C ATOM 1679 O VAL A 111 5.439 -0.990 -7.872 1.00 0.00 O ATOM 1680 CB VAL A 111 2.935 0.382 -8.477 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.721 1.669 -8.676 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.468 0.584 -8.828 1.00 0.00 C ATOM 0 H VAL A 111 2.412 -2.080 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 111 3.394 -0.534 -10.376 1.00 0.00 H new ATOM 0 HB VAL A 111 2.999 0.105 -7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.279 2.462 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.756 1.514 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.692 1.954 -9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.057 1.393 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.378 0.839 -9.884 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.916 -0.335 -8.628 1.00 0.00 H new ATOM 1692 N GLN A 112 5.842 -0.785 -10.076 1.00 0.00 N ATOM 1693 CA GLN A 112 7.290 -0.867 -9.930 1.00 0.00 C ATOM 1694 C GLN A 112 7.886 0.507 -9.639 1.00 0.00 C ATOM 1695 O GLN A 112 7.826 1.410 -10.473 1.00 0.00 O ATOM 1696 CB GLN A 112 7.920 -1.451 -11.196 1.00 0.00 C ATOM 1697 CG GLN A 112 9.423 -1.654 -11.090 1.00 0.00 C ATOM 1698 CD GLN A 112 9.964 -2.575 -12.166 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.615 -2.450 -13.340 1.00 0.00 O ATOM 1700 NE2 GLN A 112 10.823 -3.507 -11.769 1.00 0.00 N ATOM 0 H GLN A 112 5.520 -0.672 -11.037 1.00 0.00 H new ATOM 0 HA GLN A 112 7.508 -1.524 -9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.447 -2.408 -11.419 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.710 -0.788 -12.035 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.922 -0.688 -11.159 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.662 -2.067 -10.110 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.084 -3.574 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.222 -4.156 -12.448 1.00 0.00 H new ATOM 1709 N PHE A 113 8.460 0.657 -8.450 1.00 0.00 N ATOM 1710 CA PHE A 113 9.066 1.921 -8.047 1.00 0.00 C ATOM 1711 C PHE A 113 10.402 1.686 -7.349 1.00 0.00 C ATOM 1712 O PHE A 113 10.467 1.019 -6.317 1.00 0.00 O ATOM 1713 CB PHE A 113 8.122 2.691 -7.121 1.00 0.00 C ATOM 1714 CG PHE A 113 8.795 3.806 -6.373 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.536 3.545 -5.232 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.685 5.116 -6.810 1.00 0.00 C ATOM 1717 CE1 PHE A 113 10.157 4.569 -4.541 1.00 0.00 C ATOM 1718 CE2 PHE A 113 9.304 6.144 -6.124 1.00 0.00 C ATOM 1719 CZ PHE A 113 10.039 5.870 -4.987 1.00 0.00 C ATOM 0 H PHE A 113 8.518 -0.081 -7.748 1.00 0.00 H new ATOM 0 HA PHE A 113 9.245 2.512 -8.945 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.303 3.102 -7.711 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.682 1.997 -6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.630 2.529 -4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 113 8.109 5.337 -7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.733 4.351 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 113 9.213 7.161 -6.477 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.521 6.672 -4.448 1.00 0.00 H new ATOM 1729 N ARG A 114 11.467 2.239 -7.921 1.00 0.00 N ATOM 1730 CA ARG A 114 12.802 2.088 -7.356 1.00 0.00 C ATOM 1731 C ARG A 114 12.972 2.969 -6.122 1.00 0.00 C ATOM 1732 O ARG A 114 12.533 4.119 -6.100 1.00 0.00 O ATOM 1733 CB ARG A 114 13.864 2.443 -8.399 1.00 0.00 C ATOM 1734 CG ARG A 114 15.192 1.736 -8.182 1.00 0.00 C ATOM 1735 CD ARG A 114 16.007 1.676 -9.464 1.00 0.00 C ATOM 1736 NE ARG A 114 16.425 3.002 -9.910 1.00 0.00 N ATOM 1737 CZ ARG A 114 17.454 3.662 -9.390 1.00 0.00 C ATOM 1738 NH1 ARG A 114 18.165 3.121 -8.411 1.00 0.00 N ATOM 1739 NH2 ARG A 114 17.773 4.865 -9.849 1.00 0.00 N ATOM 0 H ARG A 114 11.431 2.795 -8.775 1.00 0.00 H new ATOM 0 HA ARG A 114 12.928 1.047 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.486 2.192 -9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 114 14.029 3.520 -8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.761 2.257 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 114 15.012 0.725 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 114 16.887 1.053 -9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.417 1.200 -10.247 1.00 0.00 H new ATOM 0 HE ARG A 114 15.898 3.446 -10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 114 17.922 2.196 -8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 114 18.955 3.629 -8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 114 17.228 5.285 -10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 114 18.563 5.371 -9.449 1.00 0.00 H new ATOM 1753 N THR A 115 13.613 2.420 -5.094 1.00 0.00 N ATOM 1754 CA THR A 115 13.840 3.154 -3.855 1.00 0.00 C ATOM 1755 C THR A 115 14.974 4.160 -4.012 1.00 0.00 C ATOM 1756 O THR A 115 15.935 3.939 -4.748 1.00 0.00 O ATOM 1757 CB THR A 115 14.171 2.202 -2.690 1.00 0.00 C ATOM 1758 OG1 THR A 115 15.095 1.198 -3.126 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.910 1.540 -2.157 1.00 0.00 C ATOM 0 H THR A 115 13.984 1.470 -5.095 1.00 0.00 H new ATOM 0 HA THR A 115 12.915 3.685 -3.629 1.00 0.00 H new ATOM 0 HB THR A 115 14.622 2.787 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.600 0.429 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.169 0.872 -1.335 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.221 2.305 -1.800 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.435 0.967 -2.954 1.00 0.00 H new ATOM 1767 N PRO A 116 14.862 5.294 -3.303 1.00 0.00 N ATOM 1768 CA PRO A 116 15.870 6.357 -3.347 1.00 0.00 C ATOM 1769 C PRO A 116 17.174 5.947 -2.671 1.00 0.00 C ATOM 1770 O PRO A 116 17.416 4.764 -2.431 1.00 0.00 O ATOM 1771 CB PRO A 116 15.209 7.505 -2.581 1.00 0.00 C ATOM 1772 CG PRO A 116 14.234 6.841 -1.670 1.00 0.00 C ATOM 1773 CD PRO A 116 13.743 5.625 -2.405 1.00 0.00 C ATOM 0 HA PRO A 116 16.148 6.613 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.944 8.082 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.709 8.197 -3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.707 6.563 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.409 7.510 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.520 4.805 -1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.829 5.834 -2.962 1.00 0.00 H new ATOM 1781 N LYS A 117 18.012 6.932 -2.364 1.00 0.00 N ATOM 1782 CA LYS A 117 19.291 6.675 -1.714 1.00 0.00 C ATOM 1783 C LYS A 117 19.580 7.728 -0.648 1.00 0.00 C ATOM 1784 O LYS A 117 18.968 8.795 -0.634 1.00 0.00 O ATOM 1785 CB LYS A 117 20.418 6.658 -2.748 1.00 0.00 C ATOM 1786 CG LYS A 117 20.354 5.475 -3.698 1.00 0.00 C ATOM 1787 CD LYS A 117 21.250 4.338 -3.234 1.00 0.00 C ATOM 1788 CE LYS A 117 20.685 3.652 -2.000 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.487 2.458 -1.614 1.00 0.00 N ATOM 0 H LYS A 117 17.827 7.917 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 117 19.235 5.699 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.382 7.581 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.376 6.645 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.325 5.122 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.655 5.792 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.361 3.610 -4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.245 4.724 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.662 4.358 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.655 3.351 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.869 1.622 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 22.237 2.302 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 21.916 2.615 -0.680 1.00 0.00 H new ATOM 1803 N ALA A 118 20.518 7.420 0.242 1.00 0.00 N ATOM 1804 CA ALA A 118 20.891 8.341 1.309 1.00 0.00 C ATOM 1805 C ALA A 118 21.938 9.341 0.830 1.00 0.00 C ATOM 1806 O ALA A 118 22.914 9.613 1.528 1.00 0.00 O ATOM 1807 CB ALA A 118 21.407 7.570 2.515 1.00 0.00 C ATOM 0 H ALA A 118 21.033 6.540 0.245 1.00 0.00 H new ATOM 0 HA ALA A 118 20.001 8.899 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.682 8.270 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.628 6.900 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.281 6.987 2.227 1.00 0.00 H new ATOM 1813 N SER A 119 21.727 9.884 -0.365 1.00 0.00 N ATOM 1814 CA SER A 119 22.656 10.850 -0.939 1.00 0.00 C ATOM 1815 C SER A 119 22.024 12.237 -1.005 1.00 0.00 C ATOM 1816 O SER A 119 21.171 12.504 -1.851 1.00 0.00 O ATOM 1817 CB SER A 119 23.087 10.407 -2.339 1.00 0.00 C ATOM 1818 OG SER A 119 23.749 11.455 -3.025 1.00 0.00 O ATOM 0 H SER A 119 20.922 9.671 -0.954 1.00 0.00 H new ATOM 0 HA SER A 119 23.534 10.899 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 119 23.748 9.544 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 119 22.213 10.090 -2.909 1.00 0.00 H new ATOM 0 HG SER A 119 24.015 11.146 -3.916 1.00 0.00 H new ATOM 1824 N GLY A 120 22.450 13.119 -0.105 1.00 0.00 N ATOM 1825 CA GLY A 120 21.916 14.468 -0.077 1.00 0.00 C ATOM 1826 C GLY A 120 22.028 15.108 1.292 1.00 0.00 C ATOM 1827 O GLY A 120 22.261 14.436 2.297 1.00 0.00 O ATOM 0 H GLY A 120 23.155 12.923 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.447 15.081 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.869 14.447 -0.380 1.00 0.00 H new ATOM 1831 N PRO A 121 21.863 16.438 1.344 1.00 0.00 N ATOM 1832 CA PRO A 121 21.944 17.198 2.594 1.00 0.00 C ATOM 1833 C PRO A 121 20.766 16.916 3.521 1.00 0.00 C ATOM 1834 O PRO A 121 19.887 16.117 3.198 1.00 0.00 O ATOM 1835 CB PRO A 121 21.920 18.655 2.126 1.00 0.00 C ATOM 1836 CG PRO A 121 21.219 18.619 0.812 1.00 0.00 C ATOM 1837 CD PRO A 121 21.582 17.302 0.185 1.00 0.00 C ATOM 0 HA PRO A 121 22.830 16.937 3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 121 21.394 19.291 2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 121 22.929 19.055 2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 121 20.140 18.705 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 121 21.531 19.451 0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 121 20.767 16.908 -0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 121 22.450 17.393 -0.468 1.00 0.00 H new ATOM 1845 N SER A 122 20.754 17.578 4.674 1.00 0.00 N ATOM 1846 CA SER A 122 19.686 17.397 5.649 1.00 0.00 C ATOM 1847 C SER A 122 18.470 18.245 5.287 1.00 0.00 C ATOM 1848 O SER A 122 17.349 17.743 5.212 1.00 0.00 O ATOM 1849 CB SER A 122 20.178 17.762 7.051 1.00 0.00 C ATOM 1850 OG SER A 122 20.723 19.070 7.075 1.00 0.00 O ATOM 0 H SER A 122 21.473 18.245 4.955 1.00 0.00 H new ATOM 0 HA SER A 122 19.392 16.348 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 122 19.352 17.696 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 122 20.932 17.044 7.374 1.00 0.00 H new ATOM 0 HG SER A 122 21.029 19.280 7.982 1.00 0.00 H new ATOM 1856 N SER A 123 18.702 19.535 5.065 1.00 0.00 N ATOM 1857 CA SER A 123 17.627 20.456 4.715 1.00 0.00 C ATOM 1858 C SER A 123 18.163 21.637 3.911 1.00 0.00 C ATOM 1859 O SER A 123 19.014 22.388 4.384 1.00 0.00 O ATOM 1860 CB SER A 123 16.927 20.959 5.978 1.00 0.00 C ATOM 1861 OG SER A 123 17.705 21.945 6.634 1.00 0.00 O ATOM 0 H SER A 123 19.625 19.966 5.121 1.00 0.00 H new ATOM 0 HA SER A 123 16.907 19.918 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 123 15.953 21.374 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 123 16.747 20.124 6.655 1.00 0.00 H new ATOM 0 HG SER A 123 18.552 22.066 6.155 1.00 0.00 H new ATOM 1867 N GLY A 124 17.657 21.793 2.692 1.00 0.00 N ATOM 1868 CA GLY A 124 18.096 22.884 1.841 1.00 0.00 C ATOM 1869 C GLY A 124 17.143 24.063 1.872 1.00 0.00 C ATOM 1870 O GLY A 124 17.369 25.033 2.595 1.00 0.00 O ATOM 0 H GLY A 124 16.951 21.184 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.086 23.212 2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.192 22.525 0.816 1.00 0.00 H new TER 1874 GLY A 124