USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 660 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 67 ASN : amide:sc= -0.737 K(o=1.3,f=-3.5!) USER MOD Set 1.2: A 70 THR OG1 : rot 83:sc= 0.336 USER MOD Set 1.3: A 85 TYR OH : rot 5:sc= 1.71 USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= 0.639 USER MOD Set 2.2: A 69 SER OG : rot 149:sc= 0.934 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.0387 (180deg=-1.18) USER MOD Single : A 3 LYS NZ :NH3+ -105:sc= -2.53! (180deg=-4.6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.938 K(o=0.94,f=-5.7!) USER MOD Single : A 9 ASN : amide:sc=-0.00537 K(o=-0.0054,f=-1.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -158:sc= -0.182 (180deg=-0.783) USER MOD Single : A 17 TYR OH : rot -134:sc= 1.15 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot -68:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ 156:sc= -0.117 (180deg=-0.646) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 170:sc= -0.338 USER MOD Single : A 32 ASN : amide:sc= -0.565 K(o=-0.56,f=-1.6) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.132 USER MOD Single : A 37 THR OG1 : rot -34:sc= 0.999 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.38) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 43:sc= 0.054 USER MOD Single : A 51 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 65 MET CE :methyl -159:sc= -1.36 (180deg=-2.49) USER MOD Single : A 66 THR OG1 : rot 156:sc= -3.17! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 24:sc= 0.153 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.592 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.362 7.048 5.077 1.00 0.00 N ATOM 2 CA MET A 1 7.627 6.717 4.383 1.00 0.00 C ATOM 3 C MET A 1 7.321 6.090 3.035 1.00 0.00 C ATOM 4 O MET A 1 6.205 5.625 2.816 1.00 0.00 O ATOM 5 CB MET A 1 8.466 5.753 5.227 1.00 0.00 C ATOM 6 CG MET A 1 8.875 6.319 6.576 1.00 0.00 C ATOM 7 SD MET A 1 9.840 5.149 7.553 1.00 0.00 S ATOM 8 CE MET A 1 10.053 6.072 9.074 1.00 0.00 C ATOM 0 H1 MET A 1 6.416 8.015 5.455 1.00 0.00 H new ATOM 0 H2 MET A 1 5.570 6.983 4.406 1.00 0.00 H new ATOM 0 H3 MET A 1 6.209 6.379 5.858 1.00 0.00 H new ATOM 0 HA MET A 1 8.197 7.635 4.235 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.900 4.835 5.385 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.363 5.482 4.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.458 7.227 6.424 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.982 6.603 7.133 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.632 5.479 9.781 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.580 7.003 8.864 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.077 6.297 9.503 1.00 0.00 H new ATOM 20 N VAL A 2 8.315 6.079 2.148 1.00 0.00 N ATOM 21 CA VAL A 2 8.153 5.567 0.785 1.00 0.00 C ATOM 22 C VAL A 2 7.288 6.511 -0.052 1.00 0.00 C ATOM 23 O VAL A 2 6.200 6.917 0.356 1.00 0.00 O ATOM 24 CB VAL A 2 7.554 4.137 0.758 1.00 0.00 C ATOM 25 CG1 VAL A 2 7.326 3.665 -0.671 1.00 0.00 C ATOM 26 CG2 VAL A 2 8.462 3.165 1.498 1.00 0.00 C ATOM 0 H VAL A 2 9.253 6.423 2.352 1.00 0.00 H new ATOM 0 HA VAL A 2 9.151 5.514 0.351 1.00 0.00 H new ATOM 0 HB VAL A 2 6.588 4.168 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.905 2.659 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.634 4.342 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.275 3.655 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.026 2.166 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.442 3.147 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.569 3.484 2.535 1.00 0.00 H new ATOM 36 N LYS A 3 7.791 6.874 -1.216 1.00 0.00 N ATOM 37 CA LYS A 3 7.087 7.790 -2.097 1.00 0.00 C ATOM 38 C LYS A 3 6.216 7.054 -3.093 1.00 0.00 C ATOM 39 O LYS A 3 5.008 6.919 -2.904 1.00 0.00 O ATOM 40 CB LYS A 3 8.076 8.672 -2.849 1.00 0.00 C ATOM 41 CG LYS A 3 8.372 9.979 -2.149 1.00 0.00 C ATOM 42 CD LYS A 3 9.611 10.668 -2.712 1.00 0.00 C ATOM 43 CE LYS A 3 10.900 9.956 -2.310 1.00 0.00 C ATOM 44 NZ LYS A 3 11.111 8.679 -3.044 1.00 0.00 N ATOM 0 H LYS A 3 8.688 6.548 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 3 6.445 8.409 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.008 8.124 -2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.680 8.883 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.513 10.643 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.514 9.795 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.542 10.704 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.643 11.699 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.747 10.618 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.878 9.754 -1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.909 7.878 -2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.474 8.642 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.098 8.624 -3.368 1.00 0.00 H new ATOM 58 N THR A 4 6.835 6.567 -4.153 1.00 0.00 N ATOM 59 CA THR A 4 6.092 6.005 -5.247 1.00 0.00 C ATOM 60 C THR A 4 5.751 4.539 -4.992 1.00 0.00 C ATOM 61 O THR A 4 6.510 3.637 -5.350 1.00 0.00 O ATOM 62 CB THR A 4 6.862 6.148 -6.575 1.00 0.00 C ATOM 63 OG1 THR A 4 7.289 7.510 -6.735 1.00 0.00 O ATOM 64 CG2 THR A 4 5.991 5.746 -7.759 1.00 0.00 C ATOM 0 H THR A 4 7.848 6.553 -4.272 1.00 0.00 H new ATOM 0 HA THR A 4 5.160 6.565 -5.326 1.00 0.00 H new ATOM 0 HB THR A 4 7.728 5.486 -6.545 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.780 7.602 -7.578 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.559 5.857 -8.683 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.680 4.707 -7.646 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.110 6.386 -7.796 1.00 0.00 H new ATOM 72 N LEU A 5 4.629 4.313 -4.329 1.00 0.00 N ATOM 73 CA LEU A 5 4.109 2.970 -4.156 1.00 0.00 C ATOM 74 C LEU A 5 3.153 2.667 -5.299 1.00 0.00 C ATOM 75 O LEU A 5 2.078 3.253 -5.384 1.00 0.00 O ATOM 76 CB LEU A 5 3.388 2.835 -2.812 1.00 0.00 C ATOM 77 CG LEU A 5 2.831 1.441 -2.512 1.00 0.00 C ATOM 78 CD1 LEU A 5 3.955 0.420 -2.433 1.00 0.00 C ATOM 79 CD2 LEU A 5 2.030 1.458 -1.219 1.00 0.00 C ATOM 0 H LEU A 5 4.061 5.045 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 5 4.935 2.259 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.080 3.112 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.567 3.551 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 5 2.166 1.152 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.538 -0.564 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.487 0.390 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.647 0.701 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.640 0.460 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.674 1.768 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.201 2.159 -1.314 1.00 0.00 H new ATOM 91 N ARG A 6 3.557 1.785 -6.192 1.00 0.00 N ATOM 92 CA ARG A 6 2.764 1.502 -7.371 1.00 0.00 C ATOM 93 C ARG A 6 2.066 0.150 -7.234 1.00 0.00 C ATOM 94 O ARG A 6 2.687 -0.906 -7.365 1.00 0.00 O ATOM 95 CB ARG A 6 3.666 1.551 -8.609 1.00 0.00 C ATOM 96 CG ARG A 6 2.930 1.529 -9.933 1.00 0.00 C ATOM 97 CD ARG A 6 3.846 1.943 -11.075 1.00 0.00 C ATOM 98 NE ARG A 6 3.161 1.920 -12.365 1.00 0.00 N ATOM 99 CZ ARG A 6 3.378 2.792 -13.349 1.00 0.00 C ATOM 100 NH1 ARG A 6 4.265 3.769 -13.201 1.00 0.00 N ATOM 101 NH2 ARG A 6 2.706 2.684 -14.485 1.00 0.00 N ATOM 0 H ARG A 6 4.426 1.254 -6.124 1.00 0.00 H new ATOM 0 HA ARG A 6 1.985 2.256 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.274 2.454 -8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.351 0.704 -8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.540 0.528 -10.120 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.073 2.201 -9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.229 2.946 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.706 1.274 -11.110 1.00 0.00 H new ATOM 0 HE ARG A 6 2.470 1.187 -12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.787 3.856 -12.329 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.425 4.432 -13.959 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.024 1.935 -14.605 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.870 3.350 -15.240 1.00 0.00 H new ATOM 115 N LEU A 7 0.773 0.195 -6.942 1.00 0.00 N ATOM 116 CA LEU A 7 -0.017 -1.013 -6.758 1.00 0.00 C ATOM 117 C LEU A 7 -0.808 -1.320 -8.020 1.00 0.00 C ATOM 118 O LEU A 7 -1.509 -0.455 -8.539 1.00 0.00 O ATOM 119 CB LEU A 7 -0.973 -0.858 -5.572 1.00 0.00 C ATOM 120 CG LEU A 7 -0.305 -0.616 -4.218 1.00 0.00 C ATOM 121 CD1 LEU A 7 -1.352 -0.469 -3.128 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.649 -1.751 -3.882 1.00 0.00 C ATOM 0 H LEU A 7 0.247 1.061 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 7 0.664 -1.839 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.649 -0.028 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.585 -1.757 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 7 0.267 0.310 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.859 -0.297 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.001 0.376 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.948 -1.380 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.115 -1.561 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.097 -2.690 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.420 -1.817 -4.649 1.00 0.00 H new ATOM 134 N ASN A 8 -0.667 -2.546 -8.517 1.00 0.00 N ATOM 135 CA ASN A 8 -1.363 -2.983 -9.731 1.00 0.00 C ATOM 136 C ASN A 8 -0.958 -2.117 -10.915 1.00 0.00 C ATOM 137 O ASN A 8 -1.735 -1.911 -11.847 1.00 0.00 O ATOM 138 CB ASN A 8 -2.889 -2.955 -9.543 1.00 0.00 C ATOM 139 CG ASN A 8 -3.378 -4.008 -8.567 1.00 0.00 C ATOM 140 OD1 ASN A 8 -2.749 -5.054 -8.396 1.00 0.00 O ATOM 141 ND2 ASN A 8 -4.510 -3.749 -7.929 1.00 0.00 N ATOM 0 H ASN A 8 -0.074 -3.261 -8.097 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.070 -4.014 -9.932 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.189 -1.969 -9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.373 -3.107 -10.508 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.890 -4.427 -7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.001 -2.871 -8.098 1.00 0.00 H new ATOM 148 N ASN A 9 0.282 -1.628 -10.857 1.00 0.00 N ATOM 149 CA ASN A 9 0.860 -0.770 -11.893 1.00 0.00 C ATOM 150 C ASN A 9 0.229 0.617 -11.889 1.00 0.00 C ATOM 151 O ASN A 9 0.396 1.388 -12.832 1.00 0.00 O ATOM 152 CB ASN A 9 0.748 -1.402 -13.288 1.00 0.00 C ATOM 153 CG ASN A 9 1.672 -2.592 -13.479 1.00 0.00 C ATOM 154 OD1 ASN A 9 1.925 -3.362 -12.549 1.00 0.00 O ATOM 155 ND2 ASN A 9 2.202 -2.734 -14.683 1.00 0.00 N ATOM 0 H ASN A 9 0.919 -1.818 -10.083 1.00 0.00 H new ATOM 0 HA ASN A 9 1.919 -0.665 -11.655 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.282 -1.719 -13.455 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.976 -0.648 -14.041 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.846 -3.503 -14.869 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.966 -2.075 -15.425 1.00 0.00 H new ATOM 162 N VAL A 10 -0.470 0.944 -10.811 1.00 0.00 N ATOM 163 CA VAL A 10 -1.025 2.277 -10.631 1.00 0.00 C ATOM 164 C VAL A 10 -0.261 3.003 -9.528 1.00 0.00 C ATOM 165 O VAL A 10 -0.095 2.470 -8.431 1.00 0.00 O ATOM 166 CB VAL A 10 -2.527 2.225 -10.267 1.00 0.00 C ATOM 167 CG1 VAL A 10 -3.113 3.624 -10.179 1.00 0.00 C ATOM 168 CG2 VAL A 10 -3.293 1.382 -11.271 1.00 0.00 C ATOM 0 H VAL A 10 -0.667 0.300 -10.045 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.924 2.813 -11.575 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.622 1.758 -9.287 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.170 3.560 -9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.586 4.191 -9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.003 4.126 -11.140 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.348 1.358 -10.997 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.186 1.815 -12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.896 0.367 -11.272 1.00 0.00 H new ATOM 178 N THR A 11 0.232 4.197 -9.830 1.00 0.00 N ATOM 179 CA THR A 11 0.973 4.978 -8.852 1.00 0.00 C ATOM 180 C THR A 11 0.029 5.473 -7.752 1.00 0.00 C ATOM 181 O THR A 11 -1.073 5.957 -8.027 1.00 0.00 O ATOM 182 CB THR A 11 1.713 6.167 -9.513 1.00 0.00 C ATOM 183 OG1 THR A 11 2.496 6.875 -8.541 1.00 0.00 O ATOM 184 CG2 THR A 11 0.739 7.125 -10.184 1.00 0.00 C ATOM 0 H THR A 11 0.132 4.643 -10.742 1.00 0.00 H new ATOM 0 HA THR A 11 1.729 4.331 -8.407 1.00 0.00 H new ATOM 0 HB THR A 11 2.373 5.758 -10.278 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.959 7.622 -8.975 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.292 7.948 -10.638 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.180 6.595 -10.955 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.047 7.520 -9.441 1.00 0.00 H new ATOM 192 N LEU A 12 0.453 5.321 -6.509 1.00 0.00 N ATOM 193 CA LEU A 12 -0.390 5.631 -5.368 1.00 0.00 C ATOM 194 C LEU A 12 0.301 6.616 -4.431 1.00 0.00 C ATOM 195 O LEU A 12 1.526 6.621 -4.308 1.00 0.00 O ATOM 196 CB LEU A 12 -0.720 4.338 -4.620 1.00 0.00 C ATOM 197 CG LEU A 12 -1.629 4.488 -3.404 1.00 0.00 C ATOM 198 CD1 LEU A 12 -3.018 4.941 -3.823 1.00 0.00 C ATOM 199 CD2 LEU A 12 -1.696 3.176 -2.646 1.00 0.00 C ATOM 0 H LEU A 12 1.383 4.982 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.309 6.095 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.191 3.646 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.214 3.879 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.213 5.252 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.650 5.041 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.949 5.903 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.453 4.204 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.347 3.290 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.094 2.399 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.696 2.896 -2.315 1.00 0.00 H new ATOM 211 N GLU A 13 -0.498 7.461 -3.796 1.00 0.00 N ATOM 212 CA GLU A 13 -0.012 8.363 -2.764 1.00 0.00 C ATOM 213 C GLU A 13 -0.614 7.948 -1.427 1.00 0.00 C ATOM 214 O GLU A 13 -1.682 7.334 -1.390 1.00 0.00 O ATOM 215 CB GLU A 13 -0.368 9.817 -3.095 1.00 0.00 C ATOM 216 CG GLU A 13 0.361 10.353 -4.319 1.00 0.00 C ATOM 217 CD GLU A 13 -0.005 11.788 -4.646 1.00 0.00 C ATOM 218 OE1 GLU A 13 0.578 12.710 -4.037 1.00 0.00 O ATOM 219 OE2 GLU A 13 -0.863 12.000 -5.527 1.00 0.00 O ATOM 0 H GLU A 13 -1.498 7.540 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 13 1.075 8.300 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.443 9.892 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.132 10.446 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.436 10.287 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.132 9.721 -5.177 1.00 0.00 H new ATOM 226 N MET A 14 0.058 8.273 -0.337 1.00 0.00 N ATOM 227 CA MET A 14 -0.332 7.773 0.970 1.00 0.00 C ATOM 228 C MET A 14 -0.356 8.891 1.994 1.00 0.00 C ATOM 229 O MET A 14 -0.213 10.067 1.660 1.00 0.00 O ATOM 230 CB MET A 14 0.642 6.682 1.431 1.00 0.00 C ATOM 231 CG MET A 14 0.577 5.412 0.601 1.00 0.00 C ATOM 232 SD MET A 14 1.875 4.242 1.034 1.00 0.00 S ATOM 233 CE MET A 14 3.335 5.148 0.520 1.00 0.00 C ATOM 0 H MET A 14 0.877 8.881 -0.331 1.00 0.00 H new ATOM 0 HA MET A 14 -1.335 7.355 0.884 1.00 0.00 H new ATOM 0 HB2 MET A 14 1.658 7.076 1.396 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.431 6.436 2.472 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.395 4.940 0.740 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.659 5.667 -0.456 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.155 4.450 0.352 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.122 5.688 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.616 5.857 1.299 1.00 0.00 H new ATOM 243 N ALA A 15 -0.556 8.512 3.242 1.00 0.00 N ATOM 244 CA ALA A 15 -0.522 9.451 4.341 1.00 0.00 C ATOM 245 C ALA A 15 0.377 8.917 5.447 1.00 0.00 C ATOM 246 O ALA A 15 1.391 9.524 5.783 1.00 0.00 O ATOM 247 CB ALA A 15 -1.929 9.709 4.848 1.00 0.00 C ATOM 0 H ALA A 15 -0.746 7.549 3.519 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.111 10.400 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.893 10.417 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.536 10.122 4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.370 8.773 5.191 1.00 0.00 H new ATOM 253 N ALA A 16 0.014 7.765 5.992 1.00 0.00 N ATOM 254 CA ALA A 16 0.830 7.117 7.004 1.00 0.00 C ATOM 255 C ALA A 16 1.173 5.689 6.597 1.00 0.00 C ATOM 256 O ALA A 16 0.435 4.749 6.891 1.00 0.00 O ATOM 257 CB ALA A 16 0.134 7.141 8.357 1.00 0.00 C ATOM 0 H ALA A 16 -0.839 7.262 5.750 1.00 0.00 H new ATOM 0 HA ALA A 16 1.762 7.675 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.764 6.650 9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.043 8.174 8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.819 6.616 8.285 1.00 0.00 H new ATOM 263 N TYR A 17 2.267 5.550 5.864 1.00 0.00 N ATOM 264 CA TYR A 17 2.806 4.242 5.512 1.00 0.00 C ATOM 265 C TYR A 17 3.553 3.652 6.705 1.00 0.00 C ATOM 266 O TYR A 17 4.671 4.072 7.020 1.00 0.00 O ATOM 267 CB TYR A 17 3.743 4.377 4.304 1.00 0.00 C ATOM 268 CG TYR A 17 4.418 3.094 3.857 1.00 0.00 C ATOM 269 CD1 TYR A 17 3.800 2.236 2.958 1.00 0.00 C ATOM 270 CD2 TYR A 17 5.696 2.766 4.301 1.00 0.00 C ATOM 271 CE1 TYR A 17 4.432 1.090 2.514 1.00 0.00 C ATOM 272 CE2 TYR A 17 6.331 1.618 3.869 1.00 0.00 C ATOM 273 CZ TYR A 17 5.696 0.785 2.972 1.00 0.00 C ATOM 274 OH TYR A 17 6.335 -0.347 2.514 1.00 0.00 O ATOM 0 H TYR A 17 2.805 6.335 5.497 1.00 0.00 H new ATOM 0 HA TYR A 17 1.988 3.572 5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.173 4.778 3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.514 5.109 4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.808 2.468 2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.200 3.421 4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.938 0.436 1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.319 1.374 4.231 1.00 0.00 H new ATOM 0 HH TYR A 17 6.733 -0.827 3.270 1.00 0.00 H new ATOM 284 N GLN A 18 2.922 2.710 7.388 1.00 0.00 N ATOM 285 CA GLN A 18 3.527 2.075 8.546 1.00 0.00 C ATOM 286 C GLN A 18 3.666 0.577 8.288 1.00 0.00 C ATOM 287 O GLN A 18 2.684 -0.115 8.029 1.00 0.00 O ATOM 288 CB GLN A 18 2.681 2.361 9.789 1.00 0.00 C ATOM 289 CG GLN A 18 3.466 2.338 11.090 1.00 0.00 C ATOM 290 CD GLN A 18 3.341 1.029 11.833 1.00 0.00 C ATOM 291 OE1 GLN A 18 4.117 0.099 11.621 1.00 0.00 O ATOM 292 NE2 GLN A 18 2.365 0.953 12.725 1.00 0.00 N ATOM 0 H GLN A 18 1.989 2.368 7.159 1.00 0.00 H new ATOM 0 HA GLN A 18 4.524 2.481 8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.210 3.338 9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.879 1.625 9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.518 2.529 10.876 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.119 3.148 11.732 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.743 1.749 12.870 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.235 0.099 13.267 1.00 0.00 H new ATOM 301 N GLU A 19 4.893 0.086 8.331 1.00 0.00 N ATOM 302 CA GLU A 19 5.183 -1.266 7.874 1.00 0.00 C ATOM 303 C GLU A 19 5.780 -2.147 8.968 1.00 0.00 C ATOM 304 O GLU A 19 6.600 -1.704 9.775 1.00 0.00 O ATOM 305 CB GLU A 19 6.144 -1.193 6.687 1.00 0.00 C ATOM 306 CG GLU A 19 6.723 -2.530 6.258 1.00 0.00 C ATOM 307 CD GLU A 19 7.899 -2.372 5.318 1.00 0.00 C ATOM 308 OE1 GLU A 19 7.681 -2.103 4.121 1.00 0.00 O ATOM 309 OE2 GLU A 19 9.053 -2.526 5.772 1.00 0.00 O ATOM 0 H GLU A 19 5.703 0.600 8.676 1.00 0.00 H new ATOM 0 HA GLU A 19 4.239 -1.725 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.621 -0.750 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.964 -0.522 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.038 -3.087 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.947 -3.120 5.770 1.00 0.00 H new ATOM 316 N GLU A 20 5.349 -3.399 8.971 1.00 0.00 N ATOM 317 CA GLU A 20 5.956 -4.447 9.775 1.00 0.00 C ATOM 318 C GLU A 20 6.879 -5.264 8.887 1.00 0.00 C ATOM 319 O GLU A 20 6.441 -5.846 7.893 1.00 0.00 O ATOM 320 CB GLU A 20 4.882 -5.348 10.391 1.00 0.00 C ATOM 321 CG GLU A 20 4.136 -4.712 11.553 1.00 0.00 C ATOM 322 CD GLU A 20 5.013 -4.521 12.773 1.00 0.00 C ATOM 323 OE1 GLU A 20 5.799 -5.433 13.096 1.00 0.00 O ATOM 324 OE2 GLU A 20 4.905 -3.467 13.436 1.00 0.00 O ATOM 0 H GLU A 20 4.560 -3.719 8.409 1.00 0.00 H new ATOM 0 HA GLU A 20 6.523 -3.998 10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.164 -5.622 9.618 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.349 -6.271 10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.739 -3.746 11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.283 -5.336 11.818 1.00 0.00 H new ATOM 331 N SER A 21 8.151 -5.291 9.234 1.00 0.00 N ATOM 332 CA SER A 21 9.157 -5.906 8.387 1.00 0.00 C ATOM 333 C SER A 21 9.615 -7.251 8.944 1.00 0.00 C ATOM 334 O SER A 21 10.349 -7.985 8.280 1.00 0.00 O ATOM 335 CB SER A 21 10.357 -4.966 8.259 1.00 0.00 C ATOM 336 OG SER A 21 9.940 -3.626 8.030 1.00 0.00 O ATOM 0 H SER A 21 8.514 -4.893 10.100 1.00 0.00 H new ATOM 0 HA SER A 21 8.713 -6.084 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.957 -5.012 9.168 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.995 -5.296 7.439 1.00 0.00 H new ATOM 0 HG SER A 21 9.535 -3.557 7.140 1.00 0.00 H new ATOM 342 N GLU A 22 9.190 -7.579 10.156 1.00 0.00 N ATOM 343 CA GLU A 22 9.692 -8.781 10.815 1.00 0.00 C ATOM 344 C GLU A 22 8.777 -9.964 10.779 1.00 0.00 C ATOM 345 O GLU A 22 9.197 -11.030 10.329 1.00 0.00 O ATOM 346 CB GLU A 22 10.141 -8.501 12.240 1.00 0.00 C ATOM 347 CG GLU A 22 11.482 -7.820 12.295 1.00 0.00 C ATOM 348 CD GLU A 22 12.542 -8.589 11.528 1.00 0.00 C ATOM 349 OE1 GLU A 22 12.723 -9.794 11.804 1.00 0.00 O ATOM 350 OE2 GLU A 22 13.196 -7.997 10.645 1.00 0.00 O ATOM 0 H GLU A 22 8.511 -7.042 10.697 1.00 0.00 H new ATOM 0 HA GLU A 22 10.554 -9.064 10.212 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.398 -7.876 12.736 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.190 -9.439 12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.395 -6.814 11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.792 -7.714 13.334 1.00 0.00 H new ATOM 357 N PRO A 23 7.545 -9.856 11.243 1.00 0.00 N ATOM 358 CA PRO A 23 6.702 -11.026 11.286 1.00 0.00 C ATOM 359 C PRO A 23 6.372 -11.494 9.876 1.00 0.00 C ATOM 360 O PRO A 23 5.990 -12.642 9.643 1.00 0.00 O ATOM 361 CB PRO A 23 5.473 -10.540 12.038 1.00 0.00 C ATOM 362 CG PRO A 23 5.425 -9.073 11.792 1.00 0.00 C ATOM 363 CD PRO A 23 6.859 -8.641 11.728 1.00 0.00 C ATOM 0 HA PRO A 23 7.163 -11.887 11.769 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.569 -11.031 11.676 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.550 -10.759 13.103 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.903 -8.846 10.862 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.893 -8.556 12.591 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.998 -7.800 11.049 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.231 -8.328 12.704 1.00 0.00 H new ATOM 371 N LYS A 24 6.561 -10.565 8.954 1.00 0.00 N ATOM 372 CA LYS A 24 6.340 -10.763 7.541 1.00 0.00 C ATOM 373 C LYS A 24 6.626 -9.432 6.876 1.00 0.00 C ATOM 374 O LYS A 24 7.113 -8.521 7.541 1.00 0.00 O ATOM 375 CB LYS A 24 4.904 -11.213 7.268 1.00 0.00 C ATOM 376 CG LYS A 24 4.826 -12.419 6.346 1.00 0.00 C ATOM 377 CD LYS A 24 3.422 -12.990 6.277 1.00 0.00 C ATOM 378 CE LYS A 24 3.415 -14.347 5.587 1.00 0.00 C ATOM 379 NZ LYS A 24 4.268 -15.335 6.300 1.00 0.00 N ATOM 0 H LYS A 24 6.883 -9.624 9.181 1.00 0.00 H new ATOM 0 HA LYS A 24 6.988 -11.546 7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.418 -11.453 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.348 -10.387 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.151 -12.133 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.514 -13.189 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.016 -13.089 7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.772 -12.301 5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.393 -14.722 5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.768 -14.235 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.944 -16.298 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.256 -15.224 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.201 -15.175 7.325 1.00 0.00 H new ATOM 393 N ARG A 25 6.341 -9.290 5.598 1.00 0.00 N ATOM 394 CA ARG A 25 6.332 -7.961 5.010 1.00 0.00 C ATOM 395 C ARG A 25 4.903 -7.438 4.975 1.00 0.00 C ATOM 396 O ARG A 25 4.172 -7.626 4.004 1.00 0.00 O ATOM 397 CB ARG A 25 6.979 -7.939 3.625 1.00 0.00 C ATOM 398 CG ARG A 25 8.485 -8.126 3.680 1.00 0.00 C ATOM 399 CD ARG A 25 9.200 -7.184 2.725 1.00 0.00 C ATOM 400 NE ARG A 25 10.168 -6.342 3.429 1.00 0.00 N ATOM 401 CZ ARG A 25 9.957 -5.061 3.736 1.00 0.00 C ATOM 402 NH1 ARG A 25 8.842 -4.461 3.335 1.00 0.00 N ATOM 403 NH2 ARG A 25 10.857 -4.381 4.433 1.00 0.00 N ATOM 0 H ARG A 25 6.118 -10.053 4.959 1.00 0.00 H new ATOM 0 HA ARG A 25 6.936 -7.301 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.541 -8.726 3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.752 -6.991 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.837 -7.951 4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.734 -9.157 3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.711 -7.763 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.469 -6.554 2.218 1.00 0.00 H new ATOM 0 HE ARG A 25 11.058 -6.760 3.701 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.150 -4.980 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.678 -3.482 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.717 -4.837 4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.689 -3.402 4.664 1.00 0.00 H new ATOM 417 N LYS A 26 4.504 -6.817 6.074 1.00 0.00 N ATOM 418 CA LYS A 26 3.133 -6.374 6.266 1.00 0.00 C ATOM 419 C LYS A 26 3.054 -4.856 6.242 1.00 0.00 C ATOM 420 O LYS A 26 3.519 -4.186 7.162 1.00 0.00 O ATOM 421 CB LYS A 26 2.611 -6.907 7.603 1.00 0.00 C ATOM 422 CG LYS A 26 1.180 -6.509 7.918 1.00 0.00 C ATOM 423 CD LYS A 26 0.758 -7.046 9.275 1.00 0.00 C ATOM 424 CE LYS A 26 -0.702 -6.746 9.571 1.00 0.00 C ATOM 425 NZ LYS A 26 -1.105 -7.260 10.905 1.00 0.00 N ATOM 0 H LYS A 26 5.122 -6.606 6.858 1.00 0.00 H new ATOM 0 HA LYS A 26 2.517 -6.761 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.681 -7.995 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.260 -6.548 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.089 -5.423 7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.513 -6.893 7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.921 -8.123 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.384 -6.606 10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.869 -5.670 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.330 -7.196 8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.107 -7.038 11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.969 -8.291 10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.522 -6.812 11.640 1.00 0.00 H new ATOM 439 N ILE A 27 2.469 -4.317 5.191 1.00 0.00 N ATOM 440 CA ILE A 27 2.355 -2.880 5.045 1.00 0.00 C ATOM 441 C ILE A 27 0.936 -2.410 5.348 1.00 0.00 C ATOM 442 O ILE A 27 -0.032 -2.835 4.713 1.00 0.00 O ATOM 443 CB ILE A 27 2.787 -2.413 3.635 1.00 0.00 C ATOM 444 CG1 ILE A 27 2.001 -3.147 2.546 1.00 0.00 C ATOM 445 CG2 ILE A 27 4.278 -2.639 3.449 1.00 0.00 C ATOM 446 CD1 ILE A 27 2.315 -2.676 1.138 1.00 0.00 C ATOM 0 H ILE A 27 2.064 -4.854 4.424 1.00 0.00 H new ATOM 0 HA ILE A 27 3.033 -2.428 5.769 1.00 0.00 H new ATOM 0 HB ILE A 27 2.571 -1.348 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.211 -4.214 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.935 -3.019 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.575 -2.308 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.828 -2.072 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.502 -3.700 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.719 -3.243 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.078 -1.616 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.374 -2.830 0.930 1.00 0.00 H new ATOM 458 N ALA A 28 0.818 -1.558 6.351 1.00 0.00 N ATOM 459 CA ALA A 28 -0.460 -0.979 6.717 1.00 0.00 C ATOM 460 C ALA A 28 -0.409 0.529 6.540 1.00 0.00 C ATOM 461 O ALA A 28 0.165 1.248 7.359 1.00 0.00 O ATOM 462 CB ALA A 28 -0.821 -1.346 8.148 1.00 0.00 C ATOM 0 H ALA A 28 1.599 -1.251 6.930 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.234 -1.381 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.783 -0.903 8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.884 -2.430 8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.055 -0.968 8.825 1.00 0.00 H new ATOM 468 N PHE A 29 -0.990 1.006 5.459 1.00 0.00 N ATOM 469 CA PHE A 29 -0.925 2.417 5.141 1.00 0.00 C ATOM 470 C PHE A 29 -2.312 3.007 4.977 1.00 0.00 C ATOM 471 O PHE A 29 -3.256 2.329 4.555 1.00 0.00 O ATOM 472 CB PHE A 29 -0.083 2.659 3.881 1.00 0.00 C ATOM 473 CG PHE A 29 -0.497 1.850 2.681 1.00 0.00 C ATOM 474 CD1 PHE A 29 0.047 0.593 2.457 1.00 0.00 C ATOM 475 CD2 PHE A 29 -1.415 2.350 1.767 1.00 0.00 C ATOM 476 CE1 PHE A 29 -0.315 -0.147 1.349 1.00 0.00 C ATOM 477 CE2 PHE A 29 -1.782 1.611 0.659 1.00 0.00 C ATOM 478 CZ PHE A 29 -1.230 0.361 0.450 1.00 0.00 C ATOM 0 H PHE A 29 -1.510 0.440 4.788 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.441 2.921 5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.135 3.717 3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.959 2.437 4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.762 0.189 3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.847 3.327 1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.118 -1.123 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.499 2.009 -0.043 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.515 -0.218 -0.416 1.00 0.00 H new ATOM 488 N THR A 30 -2.432 4.267 5.351 1.00 0.00 N ATOM 489 CA THR A 30 -3.665 4.997 5.172 1.00 0.00 C ATOM 490 C THR A 30 -3.744 5.592 3.787 1.00 0.00 C ATOM 491 O THR A 30 -2.918 6.429 3.406 1.00 0.00 O ATOM 492 CB THR A 30 -3.797 6.130 6.195 1.00 0.00 C ATOM 493 OG1 THR A 30 -2.511 6.436 6.749 1.00 0.00 O ATOM 494 CG2 THR A 30 -4.765 5.746 7.291 1.00 0.00 C ATOM 0 H THR A 30 -1.682 4.806 5.784 1.00 0.00 H new ATOM 0 HA THR A 30 -4.477 4.284 5.315 1.00 0.00 H new ATOM 0 HB THR A 30 -4.186 7.015 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.570 7.260 7.277 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.846 6.563 8.008 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.745 5.546 6.857 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.403 4.852 7.799 1.00 0.00 H new ATOM 502 N LEU A 31 -4.719 5.148 3.022 1.00 0.00 N ATOM 503 CA LEU A 31 -5.004 5.785 1.764 1.00 0.00 C ATOM 504 C LEU A 31 -5.946 6.947 2.035 1.00 0.00 C ATOM 505 O LEU A 31 -7.146 6.758 2.227 1.00 0.00 O ATOM 506 CB LEU A 31 -5.592 4.779 0.767 1.00 0.00 C ATOM 507 CG LEU A 31 -5.615 5.238 -0.695 1.00 0.00 C ATOM 508 CD1 LEU A 31 -5.693 4.043 -1.633 1.00 0.00 C ATOM 509 CD2 LEU A 31 -6.794 6.159 -0.954 1.00 0.00 C ATOM 0 H LEU A 31 -5.320 4.356 3.250 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.090 6.165 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.019 3.854 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.612 4.544 1.072 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.690 5.783 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.708 4.391 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.825 3.402 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.602 3.478 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.789 6.472 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.723 5.631 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.718 7.037 -0.312 1.00 0.00 H new ATOM 521 N ASN A 32 -5.375 8.140 2.112 1.00 0.00 N ATOM 522 CA ASN A 32 -6.110 9.328 2.523 1.00 0.00 C ATOM 523 C ASN A 32 -7.243 9.641 1.550 1.00 0.00 C ATOM 524 O ASN A 32 -7.018 9.817 0.356 1.00 0.00 O ATOM 525 CB ASN A 32 -5.157 10.521 2.639 1.00 0.00 C ATOM 526 CG ASN A 32 -5.816 11.736 3.259 1.00 0.00 C ATOM 527 OD1 ASN A 32 -6.376 12.574 2.562 1.00 0.00 O ATOM 528 ND2 ASN A 32 -5.752 11.842 4.580 1.00 0.00 N ATOM 0 H ASN A 32 -4.394 8.312 1.893 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.555 9.133 3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.294 10.234 3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.784 10.781 1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.178 12.642 5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.277 11.124 5.127 1.00 0.00 H new ATOM 535 N VAL A 33 -8.460 9.699 2.076 1.00 0.00 N ATOM 536 CA VAL A 33 -9.634 9.946 1.258 1.00 0.00 C ATOM 537 C VAL A 33 -10.214 11.321 1.558 1.00 0.00 C ATOM 538 O VAL A 33 -10.969 11.499 2.518 1.00 0.00 O ATOM 539 CB VAL A 33 -10.715 8.867 1.464 1.00 0.00 C ATOM 540 CG1 VAL A 33 -11.929 9.136 0.585 1.00 0.00 C ATOM 541 CG2 VAL A 33 -10.141 7.492 1.175 1.00 0.00 C ATOM 0 H VAL A 33 -8.657 9.577 3.069 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.315 9.907 0.216 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.041 8.901 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.677 8.360 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.353 10.108 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.628 9.133 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.913 6.737 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.790 7.454 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.308 7.296 1.850 1.00 0.00 H new ATOM 551 N THR A 34 -9.836 12.297 0.757 1.00 0.00 N ATOM 552 CA THR A 34 -10.342 13.644 0.923 1.00 0.00 C ATOM 553 C THR A 34 -11.726 13.771 0.299 1.00 0.00 C ATOM 554 O THR A 34 -12.209 12.842 -0.347 1.00 0.00 O ATOM 555 CB THR A 34 -9.401 14.675 0.279 1.00 0.00 C ATOM 556 OG1 THR A 34 -9.173 14.340 -1.098 1.00 0.00 O ATOM 557 CG2 THR A 34 -8.074 14.738 1.015 1.00 0.00 C ATOM 0 H THR A 34 -9.180 12.182 -0.015 1.00 0.00 H new ATOM 0 HA THR A 34 -10.402 13.844 1.993 1.00 0.00 H new ATOM 0 HB THR A 34 -9.878 15.653 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.574 15.003 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.428 15.475 0.538 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.247 15.024 2.053 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.594 13.760 0.983 1.00 0.00 H new ATOM 565 N SER A 35 -12.353 14.923 0.482 1.00 0.00 N ATOM 566 CA SER A 35 -13.660 15.184 -0.100 1.00 0.00 C ATOM 567 C SER A 35 -13.557 15.312 -1.620 1.00 0.00 C ATOM 568 O SER A 35 -14.547 15.171 -2.338 1.00 0.00 O ATOM 569 CB SER A 35 -14.245 16.451 0.526 1.00 0.00 C ATOM 570 OG SER A 35 -13.211 17.263 1.071 1.00 0.00 O ATOM 0 H SER A 35 -11.975 15.695 1.032 1.00 0.00 H new ATOM 0 HA SER A 35 -14.326 14.348 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.798 17.013 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.955 16.182 1.309 1.00 0.00 H new ATOM 0 HG SER A 35 -13.603 18.070 1.466 1.00 0.00 H new ATOM 576 N GLU A 36 -12.344 15.560 -2.104 1.00 0.00 N ATOM 577 CA GLU A 36 -12.084 15.640 -3.534 1.00 0.00 C ATOM 578 C GLU A 36 -12.302 14.281 -4.200 1.00 0.00 C ATOM 579 O GLU A 36 -13.122 14.139 -5.101 1.00 0.00 O ATOM 580 CB GLU A 36 -10.645 16.104 -3.781 1.00 0.00 C ATOM 581 CG GLU A 36 -10.296 16.287 -5.250 1.00 0.00 C ATOM 582 CD GLU A 36 -10.927 17.524 -5.853 1.00 0.00 C ATOM 583 OE1 GLU A 36 -12.142 17.508 -6.129 1.00 0.00 O ATOM 584 OE2 GLU A 36 -10.209 18.529 -6.039 1.00 0.00 O ATOM 0 H GLU A 36 -11.521 15.710 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.778 16.360 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.484 17.048 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.960 15.378 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.213 16.348 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.622 15.409 -5.808 1.00 0.00 H new ATOM 591 N THR A 37 -11.588 13.275 -3.718 1.00 0.00 N ATOM 592 CA THR A 37 -11.589 11.963 -4.355 1.00 0.00 C ATOM 593 C THR A 37 -12.453 10.972 -3.570 1.00 0.00 C ATOM 594 O THR A 37 -12.375 9.757 -3.772 1.00 0.00 O ATOM 595 CB THR A 37 -10.141 11.430 -4.488 1.00 0.00 C ATOM 596 OG1 THR A 37 -10.128 10.150 -5.130 1.00 0.00 O ATOM 597 CG2 THR A 37 -9.467 11.331 -3.128 1.00 0.00 C ATOM 0 H THR A 37 -11.000 13.340 -2.887 1.00 0.00 H new ATOM 0 HA THR A 37 -12.018 12.069 -5.352 1.00 0.00 H new ATOM 0 HB THR A 37 -9.584 12.139 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.934 9.651 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.452 10.954 -3.252 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.434 12.318 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.032 10.650 -2.491 1.00 0.00 H new ATOM 605 N TYR A 38 -13.305 11.510 -2.709 1.00 0.00 N ATOM 606 CA TYR A 38 -14.153 10.702 -1.840 1.00 0.00 C ATOM 607 C TYR A 38 -15.011 9.728 -2.651 1.00 0.00 C ATOM 608 O TYR A 38 -14.950 8.519 -2.441 1.00 0.00 O ATOM 609 CB TYR A 38 -15.050 11.612 -0.994 1.00 0.00 C ATOM 610 CG TYR A 38 -15.831 10.887 0.080 1.00 0.00 C ATOM 611 CD1 TYR A 38 -15.248 10.603 1.308 1.00 0.00 C ATOM 612 CD2 TYR A 38 -17.146 10.489 -0.128 1.00 0.00 C ATOM 613 CE1 TYR A 38 -15.950 9.945 2.298 1.00 0.00 C ATOM 614 CE2 TYR A 38 -17.856 9.829 0.857 1.00 0.00 C ATOM 615 CZ TYR A 38 -17.253 9.559 2.069 1.00 0.00 C ATOM 616 OH TYR A 38 -17.955 8.901 3.054 1.00 0.00 O ATOM 0 H TYR A 38 -13.429 12.516 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 38 -13.508 10.117 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -14.432 12.377 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -15.750 12.127 -1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -14.227 10.902 1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -17.621 10.699 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -15.480 9.734 3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -18.877 9.526 0.679 1.00 0.00 H new ATOM 0 HH TYR A 38 -18.859 8.700 2.733 1.00 0.00 H new ATOM 626 N HIS A 39 -15.783 10.268 -3.592 1.00 0.00 N ATOM 627 CA HIS A 39 -16.710 9.466 -4.400 1.00 0.00 C ATOM 628 C HIS A 39 -16.007 8.335 -5.152 1.00 0.00 C ATOM 629 O HIS A 39 -16.592 7.275 -5.371 1.00 0.00 O ATOM 630 CB HIS A 39 -17.478 10.353 -5.393 1.00 0.00 C ATOM 631 CG HIS A 39 -16.619 11.244 -6.242 1.00 0.00 C ATOM 632 ND1 HIS A 39 -16.304 12.536 -5.887 1.00 0.00 N ATOM 633 CD2 HIS A 39 -16.024 11.032 -7.440 1.00 0.00 C ATOM 634 CE1 HIS A 39 -15.555 13.080 -6.825 1.00 0.00 C ATOM 635 NE2 HIS A 39 -15.370 12.190 -7.780 1.00 0.00 N ATOM 0 H HIS A 39 -15.787 11.263 -3.817 1.00 0.00 H new ATOM 0 HA HIS A 39 -17.413 9.010 -3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -18.069 9.712 -6.047 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -18.180 10.974 -4.836 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -16.058 10.121 -8.020 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -15.160 14.085 -6.813 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -14.829 12.338 -8.632 1.00 0.00 H new ATOM 644 N ASP A 40 -14.754 8.552 -5.529 1.00 0.00 N ATOM 645 CA ASP A 40 -14.018 7.572 -6.324 1.00 0.00 C ATOM 646 C ASP A 40 -13.604 6.387 -5.458 1.00 0.00 C ATOM 647 O ASP A 40 -13.875 5.228 -5.785 1.00 0.00 O ATOM 648 CB ASP A 40 -12.777 8.214 -6.955 1.00 0.00 C ATOM 649 CG ASP A 40 -12.173 7.369 -8.065 1.00 0.00 C ATOM 650 OD1 ASP A 40 -11.623 6.287 -7.774 1.00 0.00 O ATOM 651 OD2 ASP A 40 -12.250 7.787 -9.240 1.00 0.00 O ATOM 0 H ASP A 40 -14.226 9.394 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.673 7.217 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.044 9.192 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.027 8.379 -6.182 1.00 0.00 H new ATOM 656 N ILE A 41 -12.974 6.692 -4.332 1.00 0.00 N ATOM 657 CA ILE A 41 -12.465 5.668 -3.432 1.00 0.00 C ATOM 658 C ILE A 41 -13.610 5.027 -2.647 1.00 0.00 C ATOM 659 O ILE A 41 -13.474 3.934 -2.108 1.00 0.00 O ATOM 660 CB ILE A 41 -11.423 6.261 -2.463 1.00 0.00 C ATOM 661 CG1 ILE A 41 -10.408 7.103 -3.246 1.00 0.00 C ATOM 662 CG2 ILE A 41 -10.714 5.154 -1.688 1.00 0.00 C ATOM 663 CD1 ILE A 41 -9.454 7.877 -2.369 1.00 0.00 C ATOM 0 H ILE A 41 -12.803 7.648 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.980 4.899 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.936 6.900 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.834 6.447 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.946 7.802 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.983 5.595 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.446 4.586 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.206 4.489 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.767 8.448 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.017 8.559 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.888 7.184 -1.747 1.00 0.00 H new ATOM 675 N ALA A 42 -14.748 5.707 -2.601 1.00 0.00 N ATOM 676 CA ALA A 42 -15.944 5.143 -1.985 1.00 0.00 C ATOM 677 C ALA A 42 -16.409 3.915 -2.757 1.00 0.00 C ATOM 678 O ALA A 42 -17.091 3.045 -2.217 1.00 0.00 O ATOM 679 CB ALA A 42 -17.056 6.179 -1.918 1.00 0.00 C ATOM 0 H ALA A 42 -14.869 6.646 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.695 4.842 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -17.938 5.737 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.724 7.031 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -17.304 6.512 -2.926 1.00 0.00 H new ATOM 685 N VAL A 43 -16.038 3.856 -4.031 1.00 0.00 N ATOM 686 CA VAL A 43 -16.344 2.708 -4.871 1.00 0.00 C ATOM 687 C VAL A 43 -15.216 1.680 -4.788 1.00 0.00 C ATOM 688 O VAL A 43 -15.463 0.475 -4.743 1.00 0.00 O ATOM 689 CB VAL A 43 -16.551 3.123 -6.343 1.00 0.00 C ATOM 690 CG1 VAL A 43 -16.922 1.923 -7.201 1.00 0.00 C ATOM 691 CG2 VAL A 43 -17.619 4.202 -6.452 1.00 0.00 C ATOM 0 H VAL A 43 -15.521 4.596 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 43 -17.272 2.269 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.609 3.528 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.062 2.243 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -16.123 1.183 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.847 1.482 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.750 4.480 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.561 3.822 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -17.312 5.077 -5.879 1.00 0.00 H new ATOM 701 N LEU A 44 -13.980 2.170 -4.756 1.00 0.00 N ATOM 702 CA LEU A 44 -12.810 1.303 -4.684 1.00 0.00 C ATOM 703 C LEU A 44 -12.422 1.045 -3.230 1.00 0.00 C ATOM 704 O LEU A 44 -11.706 1.839 -2.618 1.00 0.00 O ATOM 705 CB LEU A 44 -11.639 1.944 -5.436 1.00 0.00 C ATOM 706 CG LEU A 44 -10.358 1.110 -5.485 1.00 0.00 C ATOM 707 CD1 LEU A 44 -10.598 -0.187 -6.240 1.00 0.00 C ATOM 708 CD2 LEU A 44 -9.228 1.904 -6.125 1.00 0.00 C ATOM 0 H LEU A 44 -13.763 3.166 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.054 0.348 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.956 2.153 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.411 2.903 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.066 0.864 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.677 -0.769 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.376 -0.762 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.914 0.038 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.325 1.295 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.508 2.181 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.041 2.805 -5.541 1.00 0.00 H new ATOM 720 N LEU A 45 -12.878 -0.071 -2.680 1.00 0.00 N ATOM 721 CA LEU A 45 -12.645 -0.365 -1.282 1.00 0.00 C ATOM 722 C LEU A 45 -11.807 -1.630 -1.134 1.00 0.00 C ATOM 723 O LEU A 45 -12.326 -2.741 -1.117 1.00 0.00 O ATOM 724 CB LEU A 45 -13.968 -0.474 -0.493 1.00 0.00 C ATOM 725 CG LEU A 45 -14.902 -1.647 -0.839 1.00 0.00 C ATOM 726 CD1 LEU A 45 -15.998 -1.764 0.205 1.00 0.00 C ATOM 727 CD2 LEU A 45 -15.521 -1.482 -2.218 1.00 0.00 C ATOM 0 H LEU A 45 -13.409 -0.783 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.086 0.468 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -13.724 -0.539 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -14.523 0.453 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.303 -2.558 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.654 -2.597 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.551 -1.939 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.577 -0.841 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.174 -2.329 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.102 -0.560 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.732 -1.438 -2.968 1.00 0.00 H new ATOM 739 N TYR A 46 -10.497 -1.404 -1.067 1.00 0.00 N ATOM 740 CA TYR A 46 -9.472 -2.436 -0.811 1.00 0.00 C ATOM 741 C TYR A 46 -9.720 -3.759 -1.559 1.00 0.00 C ATOM 742 O TYR A 46 -10.521 -4.596 -1.144 1.00 0.00 O ATOM 743 CB TYR A 46 -9.262 -2.675 0.704 1.00 0.00 C ATOM 744 CG TYR A 46 -10.508 -2.926 1.535 1.00 0.00 C ATOM 745 CD1 TYR A 46 -11.015 -4.208 1.698 1.00 0.00 C ATOM 746 CD2 TYR A 46 -11.157 -1.879 2.176 1.00 0.00 C ATOM 747 CE1 TYR A 46 -12.134 -4.440 2.472 1.00 0.00 C ATOM 748 CE2 TYR A 46 -12.282 -2.102 2.951 1.00 0.00 C ATOM 749 CZ TYR A 46 -12.765 -3.384 3.095 1.00 0.00 C ATOM 750 OH TYR A 46 -13.878 -3.619 3.875 1.00 0.00 O ATOM 0 H TYR A 46 -10.099 -0.473 -1.192 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.547 -2.031 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.595 -3.529 0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.747 -1.808 1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.525 -5.038 1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -10.778 -0.874 2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -12.514 -5.444 2.589 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.778 -1.276 3.440 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.204 -2.772 4.244 1.00 0.00 H new ATOM 760 N GLU A 47 -9.011 -3.944 -2.671 1.00 0.00 N ATOM 761 CA GLU A 47 -9.107 -5.181 -3.445 1.00 0.00 C ATOM 762 C GLU A 47 -8.469 -6.351 -2.704 1.00 0.00 C ATOM 763 O GLU A 47 -8.109 -6.253 -1.534 1.00 0.00 O ATOM 764 CB GLU A 47 -8.409 -5.048 -4.796 1.00 0.00 C ATOM 765 CG GLU A 47 -9.065 -4.088 -5.767 1.00 0.00 C ATOM 766 CD GLU A 47 -8.394 -4.126 -7.125 1.00 0.00 C ATOM 767 OE1 GLU A 47 -8.566 -5.134 -7.847 1.00 0.00 O ATOM 768 OE2 GLU A 47 -7.671 -3.168 -7.465 1.00 0.00 O ATOM 0 H GLU A 47 -8.365 -3.255 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.171 -5.368 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.382 -4.724 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.360 -6.033 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.120 -4.341 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.020 -3.076 -5.366 1.00 0.00 H new ATOM 775 N LYS A 48 -8.310 -7.454 -3.418 1.00 0.00 N ATOM 776 CA LYS A 48 -7.697 -8.645 -2.862 1.00 0.00 C ATOM 777 C LYS A 48 -6.227 -8.703 -3.250 1.00 0.00 C ATOM 778 O LYS A 48 -5.346 -8.603 -2.402 1.00 0.00 O ATOM 779 CB LYS A 48 -8.421 -9.893 -3.364 1.00 0.00 C ATOM 780 CG LYS A 48 -9.908 -9.884 -3.074 1.00 0.00 C ATOM 781 CD LYS A 48 -10.586 -11.116 -3.643 1.00 0.00 C ATOM 782 CE LYS A 48 -12.063 -11.158 -3.288 1.00 0.00 C ATOM 783 NZ LYS A 48 -12.728 -12.358 -3.857 1.00 0.00 N ATOM 0 H LYS A 48 -8.600 -7.547 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.775 -8.607 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.269 -9.984 -4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.974 -10.774 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.071 -9.841 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.359 -8.988 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.472 -11.127 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.094 -12.011 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.177 -11.158 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.553 -10.259 -3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.734 -12.354 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.640 -12.345 -4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.276 -13.216 -3.482 1.00 0.00 H new ATOM 797 N THR A 49 -5.975 -8.845 -4.543 1.00 0.00 N ATOM 798 CA THR A 49 -4.622 -8.972 -5.054 1.00 0.00 C ATOM 799 C THR A 49 -4.033 -7.614 -5.430 1.00 0.00 C ATOM 800 O THR A 49 -4.585 -6.896 -6.267 1.00 0.00 O ATOM 801 CB THR A 49 -4.593 -9.903 -6.281 1.00 0.00 C ATOM 802 OG1 THR A 49 -5.705 -9.612 -7.147 1.00 0.00 O ATOM 803 CG2 THR A 49 -4.641 -11.365 -5.862 1.00 0.00 C ATOM 0 H THR A 49 -6.698 -8.875 -5.261 1.00 0.00 H new ATOM 0 HA THR A 49 -4.014 -9.401 -4.258 1.00 0.00 H new ATOM 0 HB THR A 49 -3.659 -9.728 -6.815 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.813 -8.641 -7.226 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.619 -11.999 -6.749 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.780 -11.592 -5.233 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.558 -11.554 -5.304 1.00 0.00 H new ATOM 811 N PHE A 50 -2.919 -7.258 -4.803 1.00 0.00 N ATOM 812 CA PHE A 50 -2.217 -6.029 -5.137 1.00 0.00 C ATOM 813 C PHE A 50 -0.826 -6.341 -5.661 1.00 0.00 C ATOM 814 O PHE A 50 0.018 -6.871 -4.941 1.00 0.00 O ATOM 815 CB PHE A 50 -2.101 -5.105 -3.919 1.00 0.00 C ATOM 816 CG PHE A 50 -3.413 -4.586 -3.410 1.00 0.00 C ATOM 817 CD1 PHE A 50 -3.964 -3.432 -3.939 1.00 0.00 C ATOM 818 CD2 PHE A 50 -4.087 -5.244 -2.395 1.00 0.00 C ATOM 819 CE1 PHE A 50 -5.167 -2.943 -3.467 1.00 0.00 C ATOM 820 CE2 PHE A 50 -5.287 -4.760 -1.918 1.00 0.00 C ATOM 821 CZ PHE A 50 -5.828 -3.608 -2.454 1.00 0.00 C ATOM 0 H PHE A 50 -2.483 -7.804 -4.060 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.795 -5.520 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.601 -5.644 -3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.465 -4.259 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.448 -2.908 -4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.669 -6.146 -1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.589 -2.043 -3.889 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.803 -5.282 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.767 -3.228 -2.081 1.00 0.00 H new ATOM 831 N ASN A 51 -0.591 -6.032 -6.925 1.00 0.00 N ATOM 832 CA ASN A 51 0.741 -6.165 -7.489 1.00 0.00 C ATOM 833 C ASN A 51 1.613 -5.025 -6.976 1.00 0.00 C ATOM 834 O ASN A 51 1.560 -3.912 -7.498 1.00 0.00 O ATOM 835 CB ASN A 51 0.695 -6.155 -9.022 1.00 0.00 C ATOM 836 CG ASN A 51 2.064 -6.378 -9.645 1.00 0.00 C ATOM 837 OD1 ASN A 51 2.470 -7.513 -9.885 1.00 0.00 O ATOM 838 ND2 ASN A 51 2.783 -5.299 -9.918 1.00 0.00 N ATOM 0 H ASN A 51 -1.299 -5.690 -7.575 1.00 0.00 H new ATOM 0 HA ASN A 51 1.164 -7.120 -7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.011 -6.930 -9.367 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.294 -5.201 -9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.706 -5.395 -10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.413 -4.373 -9.705 1.00 0.00 H new ATOM 845 N VAL A 52 2.381 -5.298 -5.932 1.00 0.00 N ATOM 846 CA VAL A 52 3.195 -4.280 -5.288 1.00 0.00 C ATOM 847 C VAL A 52 4.507 -4.092 -6.036 1.00 0.00 C ATOM 848 O VAL A 52 5.352 -4.991 -6.067 1.00 0.00 O ATOM 849 CB VAL A 52 3.498 -4.639 -3.814 1.00 0.00 C ATOM 850 CG1 VAL A 52 4.266 -3.518 -3.129 1.00 0.00 C ATOM 851 CG2 VAL A 52 2.216 -4.954 -3.059 1.00 0.00 C ATOM 0 H VAL A 52 2.457 -6.224 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 52 2.624 -3.352 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 52 4.124 -5.531 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.467 -3.794 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.209 -3.352 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.673 -2.604 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.455 -5.203 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.558 -4.085 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.715 -5.800 -3.530 1.00 0.00 H new ATOM 861 N GLU A 53 4.659 -2.934 -6.651 1.00 0.00 N ATOM 862 CA GLU A 53 5.873 -2.609 -7.372 1.00 0.00 C ATOM 863 C GLU A 53 6.396 -1.268 -6.916 1.00 0.00 C ATOM 864 O GLU A 53 5.793 -0.222 -7.153 1.00 0.00 O ATOM 865 CB GLU A 53 5.608 -2.646 -8.883 1.00 0.00 C ATOM 866 CG GLU A 53 6.819 -2.347 -9.757 1.00 0.00 C ATOM 867 CD GLU A 53 6.979 -0.870 -10.067 1.00 0.00 C ATOM 868 OE1 GLU A 53 6.103 -0.307 -10.753 1.00 0.00 O ATOM 869 OE2 GLU A 53 7.999 -0.274 -9.658 1.00 0.00 O ATOM 0 H GLU A 53 3.951 -2.199 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 53 6.643 -3.350 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.224 -3.632 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.824 -1.926 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.718 -2.707 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.731 -2.901 -10.692 1.00 0.00 H new ATOM 876 N VAL A 54 7.490 -1.331 -6.191 1.00 0.00 N ATOM 877 CA VAL A 54 8.124 -0.154 -5.664 1.00 0.00 C ATOM 878 C VAL A 54 9.647 -0.323 -5.635 1.00 0.00 C ATOM 879 O VAL A 54 10.184 -1.088 -4.831 1.00 0.00 O ATOM 880 CB VAL A 54 7.574 0.173 -4.262 1.00 0.00 C ATOM 881 CG1 VAL A 54 7.614 -1.038 -3.346 1.00 0.00 C ATOM 882 CG2 VAL A 54 8.336 1.323 -3.657 1.00 0.00 C ATOM 0 H VAL A 54 7.962 -2.203 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 54 7.895 0.685 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 54 6.529 0.462 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.218 -0.767 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.009 -1.838 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.644 -1.379 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.937 1.543 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.390 1.057 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.234 2.202 -4.293 1.00 0.00 H new ATOM 892 N PRO A 55 10.363 0.388 -6.519 1.00 0.00 N ATOM 893 CA PRO A 55 11.827 0.303 -6.611 1.00 0.00 C ATOM 894 C PRO A 55 12.517 0.810 -5.345 1.00 0.00 C ATOM 895 O PRO A 55 13.642 0.418 -5.035 1.00 0.00 O ATOM 896 CB PRO A 55 12.167 1.200 -7.809 1.00 0.00 C ATOM 897 CG PRO A 55 10.997 2.116 -7.945 1.00 0.00 C ATOM 898 CD PRO A 55 9.801 1.320 -7.513 1.00 0.00 C ATOM 0 HA PRO A 55 12.168 -0.726 -6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.088 1.758 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.316 0.611 -8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.121 3.003 -7.324 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.887 2.460 -8.974 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.029 1.955 -7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.345 0.791 -8.350 1.00 0.00 H new ATOM 906 N GLU A 56 11.817 1.663 -4.605 1.00 0.00 N ATOM 907 CA GLU A 56 12.352 2.262 -3.386 1.00 0.00 C ATOM 908 C GLU A 56 12.403 1.236 -2.250 1.00 0.00 C ATOM 909 O GLU A 56 13.227 1.333 -1.342 1.00 0.00 O ATOM 910 CB GLU A 56 11.496 3.471 -3.001 1.00 0.00 C ATOM 911 CG GLU A 56 12.022 4.265 -1.820 1.00 0.00 C ATOM 912 CD GLU A 56 11.386 5.633 -1.736 1.00 0.00 C ATOM 913 OE1 GLU A 56 10.141 5.713 -1.747 1.00 0.00 O ATOM 914 OE2 GLU A 56 12.125 6.635 -1.692 1.00 0.00 O ATOM 0 H GLU A 56 10.867 1.958 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 56 13.374 2.594 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.418 4.134 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.487 3.128 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.828 3.717 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.103 4.371 -1.906 1.00 0.00 H new ATOM 921 N ARG A 57 11.527 0.241 -2.317 1.00 0.00 N ATOM 922 CA ARG A 57 11.537 -0.858 -1.359 1.00 0.00 C ATOM 923 C ARG A 57 12.077 -2.115 -2.020 1.00 0.00 C ATOM 924 O ARG A 57 12.040 -3.196 -1.436 1.00 0.00 O ATOM 925 CB ARG A 57 10.127 -1.129 -0.822 1.00 0.00 C ATOM 926 CG ARG A 57 9.650 -0.140 0.229 1.00 0.00 C ATOM 927 CD ARG A 57 10.057 -0.565 1.637 1.00 0.00 C ATOM 928 NE ARG A 57 11.507 -0.662 1.802 1.00 0.00 N ATOM 929 CZ ARG A 57 12.204 0.027 2.706 1.00 0.00 C ATOM 930 NH1 ARG A 57 11.584 0.857 3.536 1.00 0.00 N ATOM 931 NH2 ARG A 57 13.518 -0.134 2.792 1.00 0.00 N ATOM 0 H ARG A 57 10.798 0.172 -3.027 1.00 0.00 H new ATOM 0 HA ARG A 57 12.179 -0.576 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.426 -1.118 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.101 -2.132 -0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.063 0.846 0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.565 -0.050 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.661 0.151 2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.604 -1.530 1.866 1.00 0.00 H new ATOM 0 HE ARG A 57 12.017 -1.296 1.187 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.572 0.969 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.120 1.383 4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.994 -0.784 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.052 0.393 3.483 1.00 0.00 H new ATOM 945 N ASP A 58 12.574 -1.953 -3.250 1.00 0.00 N ATOM 946 CA ASP A 58 13.061 -3.074 -4.055 1.00 0.00 C ATOM 947 C ASP A 58 11.996 -4.156 -4.161 1.00 0.00 C ATOM 948 O ASP A 58 12.310 -5.346 -4.218 1.00 0.00 O ATOM 949 CB ASP A 58 14.339 -3.672 -3.452 1.00 0.00 C ATOM 950 CG ASP A 58 15.553 -2.782 -3.630 1.00 0.00 C ATOM 951 OD1 ASP A 58 16.093 -2.728 -4.757 1.00 0.00 O ATOM 952 OD2 ASP A 58 15.986 -2.153 -2.641 1.00 0.00 O ATOM 0 H ASP A 58 12.649 -1.047 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 58 13.289 -2.693 -5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.182 -3.853 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.534 -4.639 -3.915 1.00 0.00 H new ATOM 957 N LEU A 59 10.735 -3.744 -4.210 1.00 0.00 N ATOM 958 CA LEU A 59 9.640 -4.688 -4.172 1.00 0.00 C ATOM 959 C LEU A 59 8.987 -4.856 -5.529 1.00 0.00 C ATOM 960 O LEU A 59 8.488 -3.900 -6.120 1.00 0.00 O ATOM 961 CB LEU A 59 8.600 -4.256 -3.140 1.00 0.00 C ATOM 962 CG LEU A 59 8.634 -5.030 -1.827 1.00 0.00 C ATOM 963 CD1 LEU A 59 7.642 -4.442 -0.836 1.00 0.00 C ATOM 964 CD2 LEU A 59 8.330 -6.496 -2.083 1.00 0.00 C ATOM 0 H LEU A 59 10.453 -2.766 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 59 10.055 -5.654 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.743 -3.197 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.608 -4.360 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 59 9.632 -4.949 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.680 -5.007 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.898 -3.401 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.636 -4.496 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.356 -7.043 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.340 -6.590 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.075 -6.909 -2.763 1.00 0.00 H new ATOM 976 N ALA A 60 9.035 -6.076 -6.025 1.00 0.00 N ATOM 977 CA ALA A 60 8.239 -6.483 -7.161 1.00 0.00 C ATOM 978 C ALA A 60 7.556 -7.790 -6.802 1.00 0.00 C ATOM 979 O ALA A 60 8.039 -8.872 -7.133 1.00 0.00 O ATOM 980 CB ALA A 60 9.093 -6.635 -8.414 1.00 0.00 C ATOM 0 H ALA A 60 9.630 -6.814 -5.649 1.00 0.00 H new ATOM 0 HA ALA A 60 7.495 -5.719 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.463 -6.942 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.568 -5.682 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.860 -7.390 -8.242 1.00 0.00 H new ATOM 986 N PHE A 61 6.448 -7.681 -6.090 1.00 0.00 N ATOM 987 CA PHE A 61 5.816 -8.834 -5.475 1.00 0.00 C ATOM 988 C PHE A 61 4.315 -8.620 -5.376 1.00 0.00 C ATOM 989 O PHE A 61 3.854 -7.502 -5.169 1.00 0.00 O ATOM 990 CB PHE A 61 6.423 -9.052 -4.084 1.00 0.00 C ATOM 991 CG PHE A 61 5.853 -10.211 -3.314 1.00 0.00 C ATOM 992 CD1 PHE A 61 6.238 -11.509 -3.605 1.00 0.00 C ATOM 993 CD2 PHE A 61 4.945 -10.000 -2.289 1.00 0.00 C ATOM 994 CE1 PHE A 61 5.726 -12.575 -2.890 1.00 0.00 C ATOM 995 CE2 PHE A 61 4.433 -11.061 -1.570 1.00 0.00 C ATOM 996 CZ PHE A 61 4.824 -12.350 -1.870 1.00 0.00 C ATOM 0 H PHE A 61 5.965 -6.798 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 61 5.991 -9.719 -6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.497 -9.201 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.285 -8.143 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.946 -11.690 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.634 -8.994 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.031 -13.583 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.727 -10.883 -0.773 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.425 -13.181 -1.308 1.00 0.00 H new ATOM 1006 N ARG A 62 3.554 -9.683 -5.534 1.00 0.00 N ATOM 1007 CA ARG A 62 2.107 -9.585 -5.472 1.00 0.00 C ATOM 1008 C ARG A 62 1.623 -9.817 -4.051 1.00 0.00 C ATOM 1009 O ARG A 62 1.504 -10.955 -3.604 1.00 0.00 O ATOM 1010 CB ARG A 62 1.452 -10.598 -6.406 1.00 0.00 C ATOM 1011 CG ARG A 62 -0.038 -10.365 -6.594 1.00 0.00 C ATOM 1012 CD ARG A 62 -0.705 -11.564 -7.237 1.00 0.00 C ATOM 1013 NE ARG A 62 -0.830 -12.682 -6.304 1.00 0.00 N ATOM 1014 CZ ARG A 62 -0.102 -13.796 -6.361 1.00 0.00 C ATOM 1015 NH1 ARG A 62 0.787 -13.972 -7.330 1.00 0.00 N ATOM 1016 NH2 ARG A 62 -0.288 -14.740 -5.453 1.00 0.00 N ATOM 0 H ARG A 62 3.910 -10.623 -5.706 1.00 0.00 H new ATOM 0 HA ARG A 62 1.825 -8.582 -5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.945 -10.558 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.609 -11.601 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.501 -10.163 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.195 -9.483 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.693 -11.280 -7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.127 -11.879 -8.106 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.522 -12.604 -5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.918 -13.251 -8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.340 -14.828 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.984 -14.611 -4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.264 -15.597 -5.488 1.00 0.00 H new ATOM 1030 N GLY A 63 1.368 -8.735 -3.341 1.00 0.00 N ATOM 1031 CA GLY A 63 0.870 -8.842 -1.993 1.00 0.00 C ATOM 1032 C GLY A 63 -0.636 -8.747 -1.955 1.00 0.00 C ATOM 1033 O GLY A 63 -1.204 -7.684 -2.195 1.00 0.00 O ATOM 0 H GLY A 63 1.498 -7.780 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.188 -9.791 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.302 -8.051 -1.380 1.00 0.00 H new ATOM 1037 N GLU A 64 -1.287 -9.862 -1.693 1.00 0.00 N ATOM 1038 CA GLU A 64 -2.733 -9.881 -1.598 1.00 0.00 C ATOM 1039 C GLU A 64 -3.159 -9.873 -0.137 1.00 0.00 C ATOM 1040 O GLU A 64 -2.500 -10.476 0.708 1.00 0.00 O ATOM 1041 CB GLU A 64 -3.306 -11.084 -2.351 1.00 0.00 C ATOM 1042 CG GLU A 64 -2.631 -12.404 -2.036 1.00 0.00 C ATOM 1043 CD GLU A 64 -3.037 -13.492 -3.008 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -2.374 -13.635 -4.059 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -4.028 -14.202 -2.731 1.00 0.00 O ATOM 0 H GLU A 64 -0.839 -10.766 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.135 -8.984 -2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.368 -11.169 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.227 -10.897 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.549 -12.275 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.887 -12.710 -1.021 1.00 0.00 H new ATOM 1052 N MET A 65 -4.244 -9.163 0.150 1.00 0.00 N ATOM 1053 CA MET A 65 -4.699 -8.971 1.523 1.00 0.00 C ATOM 1054 C MET A 65 -5.001 -10.294 2.214 1.00 0.00 C ATOM 1055 O MET A 65 -5.842 -11.074 1.760 1.00 0.00 O ATOM 1056 CB MET A 65 -5.933 -8.068 1.576 1.00 0.00 C ATOM 1057 CG MET A 65 -5.609 -6.594 1.434 1.00 0.00 C ATOM 1058 SD MET A 65 -7.017 -5.533 1.810 1.00 0.00 S ATOM 1059 CE MET A 65 -6.260 -3.918 1.672 1.00 0.00 C ATOM 0 H MET A 65 -4.827 -8.709 -0.553 1.00 0.00 H new ATOM 0 HA MET A 65 -3.881 -8.487 2.057 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.621 -8.359 0.782 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.451 -8.229 2.521 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.782 -6.342 2.098 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.272 -6.397 0.416 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.857 -3.188 2.219 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.254 -3.951 2.091 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.207 -3.630 0.622 1.00 0.00 H new ATOM 1069 N THR A 66 -4.305 -10.534 3.317 1.00 0.00 N ATOM 1070 CA THR A 66 -4.487 -11.742 4.100 1.00 0.00 C ATOM 1071 C THR A 66 -5.317 -11.447 5.347 1.00 0.00 C ATOM 1072 O THR A 66 -5.554 -12.323 6.179 1.00 0.00 O ATOM 1073 CB THR A 66 -3.126 -12.325 4.517 1.00 0.00 C ATOM 1074 OG1 THR A 66 -2.421 -11.379 5.330 1.00 0.00 O ATOM 1075 CG2 THR A 66 -2.288 -12.655 3.291 1.00 0.00 C ATOM 0 H THR A 66 -3.601 -9.897 3.691 1.00 0.00 H new ATOM 0 HA THR A 66 -5.013 -12.470 3.482 1.00 0.00 H new ATOM 0 HB THR A 66 -3.302 -13.239 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.775 -11.851 5.895 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.329 -13.066 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.813 -13.387 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.121 -11.748 2.710 1.00 0.00 H new ATOM 1083 N ASN A 67 -5.752 -10.198 5.466 1.00 0.00 N ATOM 1084 CA ASN A 67 -6.565 -9.773 6.596 1.00 0.00 C ATOM 1085 C ASN A 67 -8.037 -10.032 6.310 1.00 0.00 C ATOM 1086 O ASN A 67 -8.402 -10.416 5.200 1.00 0.00 O ATOM 1087 CB ASN A 67 -6.340 -8.294 6.903 1.00 0.00 C ATOM 1088 CG ASN A 67 -6.858 -7.391 5.813 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -6.839 -7.732 4.635 1.00 0.00 O ATOM 1090 ND2 ASN A 67 -7.334 -6.232 6.203 1.00 0.00 N ATOM 0 H ASN A 67 -5.554 -9.460 4.790 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.266 -10.352 7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.832 -8.043 7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.274 -8.114 7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.707 -5.576 5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.331 -5.987 7.193 1.00 0.00 H new ATOM 1097 N TYR A 68 -8.881 -9.817 7.302 1.00 0.00 N ATOM 1098 CA TYR A 68 -10.304 -10.070 7.150 1.00 0.00 C ATOM 1099 C TYR A 68 -11.085 -8.768 7.228 1.00 0.00 C ATOM 1100 O TYR A 68 -12.298 -8.771 7.442 1.00 0.00 O ATOM 1101 CB TYR A 68 -10.784 -11.049 8.223 1.00 0.00 C ATOM 1102 CG TYR A 68 -10.077 -12.386 8.175 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -10.308 -13.277 7.136 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -9.176 -12.755 9.168 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -9.662 -14.498 7.086 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -8.526 -13.974 9.125 1.00 0.00 C ATOM 1107 CZ TYR A 68 -8.771 -14.841 8.082 1.00 0.00 C ATOM 1108 OH TYR A 68 -8.128 -16.059 8.034 1.00 0.00 O ATOM 0 H TYR A 68 -8.608 -9.468 8.221 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.477 -10.516 6.171 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.634 -10.602 9.206 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.856 -11.209 8.106 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.004 -13.012 6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.981 -12.078 9.986 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.854 -15.180 6.271 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.830 -14.246 9.905 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.534 -16.146 8.808 1.00 0.00 H new ATOM 1118 N SER A 69 -10.368 -7.661 7.030 1.00 0.00 N ATOM 1119 CA SER A 69 -10.939 -6.318 7.099 1.00 0.00 C ATOM 1120 C SER A 69 -11.396 -6.006 8.520 1.00 0.00 C ATOM 1121 O SER A 69 -12.518 -6.332 8.917 1.00 0.00 O ATOM 1122 CB SER A 69 -12.097 -6.154 6.104 1.00 0.00 C ATOM 1123 OG SER A 69 -12.597 -4.826 6.106 1.00 0.00 O ATOM 0 H SER A 69 -9.371 -7.672 6.816 1.00 0.00 H new ATOM 0 HA SER A 69 -10.162 -5.606 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.757 -6.415 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.899 -6.847 6.359 1.00 0.00 H new ATOM 0 HG SER A 69 -12.937 -4.603 5.214 1.00 0.00 H new ATOM 1129 N THR A 70 -10.502 -5.409 9.296 1.00 0.00 N ATOM 1130 CA THR A 70 -10.813 -5.028 10.662 1.00 0.00 C ATOM 1131 C THR A 70 -11.807 -3.866 10.683 1.00 0.00 C ATOM 1132 O THR A 70 -12.720 -3.824 11.511 1.00 0.00 O ATOM 1133 CB THR A 70 -9.535 -4.621 11.424 1.00 0.00 C ATOM 1134 OG1 THR A 70 -8.526 -5.632 11.269 1.00 0.00 O ATOM 1135 CG2 THR A 70 -9.820 -4.416 12.906 1.00 0.00 C ATOM 0 H THR A 70 -9.554 -5.179 9.000 1.00 0.00 H new ATOM 0 HA THR A 70 -11.259 -5.892 11.154 1.00 0.00 H new ATOM 0 HB THR A 70 -9.181 -3.679 11.004 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.057 -5.498 10.419 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.901 -4.130 13.417 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.563 -3.628 13.028 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.200 -5.343 13.335 1.00 0.00 H new ATOM 1143 N SER A 71 -11.644 -2.950 9.739 1.00 0.00 N ATOM 1144 CA SER A 71 -12.422 -1.723 9.714 1.00 0.00 C ATOM 1145 C SER A 71 -12.689 -1.271 8.280 1.00 0.00 C ATOM 1146 O SER A 71 -12.284 -1.934 7.325 1.00 0.00 O ATOM 1147 CB SER A 71 -11.670 -0.633 10.477 1.00 0.00 C ATOM 1148 OG SER A 71 -11.510 -0.979 11.842 1.00 0.00 O ATOM 0 H SER A 71 -10.974 -3.036 8.975 1.00 0.00 H new ATOM 0 HA SER A 71 -13.384 -1.909 10.191 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.692 -0.476 10.022 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.213 0.309 10.399 1.00 0.00 H new ATOM 0 HG SER A 71 -11.024 -0.265 12.306 1.00 0.00 H new ATOM 1303 N SER A 82 -11.156 11.655 5.248 1.00 0.00 N ATOM 1304 CA SER A 82 -11.235 10.235 5.550 1.00 0.00 C ATOM 1305 C SER A 82 -9.904 9.547 5.254 1.00 0.00 C ATOM 1306 O SER A 82 -8.981 10.158 4.713 1.00 0.00 O ATOM 1307 CB SER A 82 -12.377 9.585 4.763 1.00 0.00 C ATOM 1308 OG SER A 82 -13.590 10.290 4.968 1.00 0.00 O ATOM 0 HA SER A 82 -11.444 10.117 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.133 9.572 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.496 8.547 5.075 1.00 0.00 H new ATOM 0 HG SER A 82 -13.392 11.214 5.228 1.00 0.00 H new ATOM 1314 N GLU A 83 -9.809 8.280 5.620 1.00 0.00 N ATOM 1315 CA GLU A 83 -8.572 7.526 5.473 1.00 0.00 C ATOM 1316 C GLU A 83 -8.871 6.042 5.292 1.00 0.00 C ATOM 1317 O GLU A 83 -9.393 5.396 6.194 1.00 0.00 O ATOM 1318 CB GLU A 83 -7.702 7.736 6.710 1.00 0.00 C ATOM 1319 CG GLU A 83 -8.500 7.720 8.006 1.00 0.00 C ATOM 1320 CD GLU A 83 -7.656 7.386 9.211 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -7.027 8.301 9.781 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -7.629 6.203 9.594 1.00 0.00 O ATOM 0 H GLU A 83 -10.579 7.747 6.024 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.041 7.881 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.940 6.957 6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.179 8.689 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.964 8.695 8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.307 6.992 7.921 1.00 0.00 H new ATOM 1329 N PHE A 84 -8.564 5.504 4.123 1.00 0.00 N ATOM 1330 CA PHE A 84 -8.837 4.102 3.857 1.00 0.00 C ATOM 1331 C PHE A 84 -7.808 3.205 4.522 1.00 0.00 C ATOM 1332 O PHE A 84 -6.602 3.332 4.292 1.00 0.00 O ATOM 1333 CB PHE A 84 -8.897 3.824 2.356 1.00 0.00 C ATOM 1334 CG PHE A 84 -10.293 3.552 1.875 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -11.267 4.528 1.972 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -10.634 2.325 1.337 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -12.556 4.292 1.543 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -11.923 2.079 0.903 1.00 0.00 C ATOM 1339 CZ PHE A 84 -12.886 3.064 1.006 1.00 0.00 C ATOM 0 H PHE A 84 -8.130 6.010 3.351 1.00 0.00 H new ATOM 0 HA PHE A 84 -9.814 3.875 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.490 4.679 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -8.263 2.968 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.014 5.491 2.391 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.886 1.551 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.305 5.066 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -12.177 1.117 0.483 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.894 2.874 0.667 1.00 0.00 H new ATOM 1349 N TYR A 85 -8.307 2.315 5.359 1.00 0.00 N ATOM 1350 CA TYR A 85 -7.486 1.336 6.040 1.00 0.00 C ATOM 1351 C TYR A 85 -7.069 0.237 5.065 1.00 0.00 C ATOM 1352 O TYR A 85 -7.854 -0.646 4.716 1.00 0.00 O ATOM 1353 CB TYR A 85 -8.267 0.805 7.255 1.00 0.00 C ATOM 1354 CG TYR A 85 -8.064 -0.650 7.605 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -6.833 -1.139 8.016 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -9.130 -1.533 7.534 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -6.672 -2.471 8.340 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -8.980 -2.862 7.854 1.00 0.00 C ATOM 1359 CZ TYR A 85 -7.749 -3.331 8.258 1.00 0.00 C ATOM 1360 OH TYR A 85 -7.592 -4.664 8.572 1.00 0.00 O ATOM 0 H TYR A 85 -9.299 2.252 5.586 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.563 1.784 6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.996 1.405 8.123 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.330 0.967 7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.989 -0.469 8.083 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.098 -1.170 7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.707 -2.839 8.656 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.823 -3.535 7.789 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.681 -4.818 8.899 1.00 0.00 H new ATOM 1370 N ILE A 86 -5.840 0.338 4.581 1.00 0.00 N ATOM 1371 CA ILE A 86 -5.308 -0.628 3.640 1.00 0.00 C ATOM 1372 C ILE A 86 -4.264 -1.502 4.328 1.00 0.00 C ATOM 1373 O ILE A 86 -3.135 -1.066 4.555 1.00 0.00 O ATOM 1374 CB ILE A 86 -4.658 0.068 2.428 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -5.620 1.075 1.790 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -4.222 -0.970 1.409 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -6.882 0.452 1.233 1.00 0.00 C ATOM 0 H ILE A 86 -5.191 1.085 4.828 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.138 -1.240 3.288 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.782 0.617 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.894 1.822 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.101 1.600 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.763 -0.471 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.499 -1.647 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.090 -1.538 1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.511 1.230 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.620 -0.275 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.425 -0.048 2.035 1.00 0.00 H new ATOM 1389 N GLU A 87 -4.647 -2.718 4.685 1.00 0.00 N ATOM 1390 CA GLU A 87 -3.736 -3.629 5.365 1.00 0.00 C ATOM 1391 C GLU A 87 -3.303 -4.751 4.431 1.00 0.00 C ATOM 1392 O GLU A 87 -4.050 -5.700 4.196 1.00 0.00 O ATOM 1393 CB GLU A 87 -4.400 -4.215 6.611 1.00 0.00 C ATOM 1394 CG GLU A 87 -3.460 -5.032 7.483 1.00 0.00 C ATOM 1395 CD GLU A 87 -4.160 -5.631 8.685 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -4.718 -4.866 9.497 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -4.140 -6.871 8.833 1.00 0.00 O ATOM 0 H GLU A 87 -5.579 -3.097 4.517 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.853 -3.066 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.816 -3.402 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.235 -4.845 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.019 -5.831 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.641 -4.398 7.822 1.00 0.00 H new ATOM 1404 N ILE A 88 -2.102 -4.635 3.892 1.00 0.00 N ATOM 1405 CA ILE A 88 -1.582 -5.638 2.981 1.00 0.00 C ATOM 1406 C ILE A 88 -0.453 -6.412 3.639 1.00 0.00 C ATOM 1407 O ILE A 88 0.649 -5.900 3.826 1.00 0.00 O ATOM 1408 CB ILE A 88 -1.075 -5.010 1.668 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -2.191 -4.204 1.003 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -0.557 -6.088 0.723 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -1.772 -3.553 -0.292 1.00 0.00 C ATOM 0 H ILE A 88 -1.469 -3.856 4.070 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.402 -6.315 2.741 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.250 -4.336 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.039 -4.861 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.534 -3.434 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.204 -5.625 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.265 -6.624 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.361 -6.787 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.612 -2.998 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.943 -2.870 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.457 -4.320 -1.000 1.00 0.00 H new ATOM 1423 N THR A 89 -0.745 -7.637 4.018 1.00 0.00 N ATOM 1424 CA THR A 89 0.257 -8.499 4.594 1.00 0.00 C ATOM 1425 C THR A 89 0.809 -9.425 3.520 1.00 0.00 C ATOM 1426 O THR A 89 0.058 -9.907 2.674 1.00 0.00 O ATOM 1427 CB THR A 89 -0.326 -9.323 5.755 1.00 0.00 C ATOM 1428 OG1 THR A 89 -1.098 -8.465 6.604 1.00 0.00 O ATOM 1429 CG2 THR A 89 0.778 -9.978 6.572 1.00 0.00 C ATOM 0 H THR A 89 -1.671 -8.057 3.936 1.00 0.00 H new ATOM 0 HA THR A 89 1.062 -7.881 4.991 1.00 0.00 H new ATOM 0 HB THR A 89 -0.957 -10.108 5.337 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.472 -8.988 7.344 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.336 -10.554 7.385 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.359 -10.642 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.430 -9.209 6.985 1.00 0.00 H new ATOM 1437 N GLU A 90 2.120 -9.622 3.540 1.00 0.00 N ATOM 1438 CA GLU A 90 2.797 -10.497 2.595 1.00 0.00 C ATOM 1439 C GLU A 90 2.100 -11.853 2.490 1.00 0.00 C ATOM 1440 O GLU A 90 1.863 -12.528 3.494 1.00 0.00 O ATOM 1441 CB GLU A 90 4.250 -10.677 3.036 1.00 0.00 C ATOM 1442 CG GLU A 90 5.065 -11.614 2.162 1.00 0.00 C ATOM 1443 CD GLU A 90 6.503 -11.706 2.621 1.00 0.00 C ATOM 1444 OE1 GLU A 90 6.739 -11.673 3.848 1.00 0.00 O ATOM 1445 OE2 GLU A 90 7.399 -11.819 1.759 1.00 0.00 O ATOM 0 H GLU A 90 2.745 -9.178 4.213 1.00 0.00 H new ATOM 0 HA GLU A 90 2.764 -10.038 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.735 -9.701 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.261 -11.054 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.615 -12.607 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.035 -11.265 1.130 1.00 0.00 H new ATOM 1452 N ILE A 91 1.755 -12.231 1.268 1.00 0.00 N ATOM 1453 CA ILE A 91 1.117 -13.512 1.019 1.00 0.00 C ATOM 1454 C ILE A 91 2.110 -14.647 1.269 1.00 0.00 C ATOM 1455 O ILE A 91 3.325 -14.456 1.159 1.00 0.00 O ATOM 1456 CB ILE A 91 0.574 -13.610 -0.429 1.00 0.00 C ATOM 1457 CG1 ILE A 91 -0.294 -14.869 -0.586 1.00 0.00 C ATOM 1458 CG2 ILE A 91 1.713 -13.592 -1.440 1.00 0.00 C ATOM 1459 CD1 ILE A 91 -0.364 -15.412 -1.998 1.00 0.00 C ATOM 0 H ILE A 91 1.907 -11.666 0.432 1.00 0.00 H new ATOM 0 HA ILE A 91 0.273 -13.599 1.704 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.051 -12.739 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.095 -15.647 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.305 -14.643 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.305 -13.662 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.274 -12.663 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.375 -14.438 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.997 -16.299 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.784 -14.654 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.638 -15.674 -2.337 1.00 0.00 H new ATOM 1471 N ASP A 92 1.595 -15.813 1.628 1.00 0.00 N ATOM 1472 CA ASP A 92 2.435 -16.981 1.837 1.00 0.00 C ATOM 1473 C ASP A 92 3.084 -17.402 0.527 1.00 0.00 C ATOM 1474 O ASP A 92 2.591 -17.094 -0.555 1.00 0.00 O ATOM 1475 CB ASP A 92 1.631 -18.144 2.416 1.00 0.00 C ATOM 1476 CG ASP A 92 1.013 -17.814 3.762 1.00 0.00 C ATOM 1477 OD1 ASP A 92 0.016 -17.059 3.797 1.00 0.00 O ATOM 1478 OD2 ASP A 92 1.530 -18.297 4.789 1.00 0.00 O ATOM 0 H ASP A 92 0.600 -15.975 1.781 1.00 0.00 H new ATOM 0 HA ASP A 92 3.211 -16.712 2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.842 -18.419 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.281 -19.013 2.522 1.00 0.00 H new