USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 734 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 53 GLN :FLIP amide:sc= 0.0923 F(o=-0.52,f=0.18) USER MOD Set 1.2: A 55 SER OG : rot 119:sc= 0.0902 USER MOD Single : A 1 GLU N :NH3+ -146:sc= -3.94! (180deg=-4.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 150:sc= -0.254 USER MOD Single : A 11 GLN : amide:sc= -1.75! K(o=-1.7!,f=-4.7) USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= -0.0243 (180deg=-0.0863) USER MOD Single : A 15 ASN :FLIP amide:sc= -4.6! C(o=-8.2!,f=-4.6!) USER MOD Single : A 18 ASN :FLIP amide:sc= 0.0428 F(o=-1.9!,f=0.043) USER MOD Single : A 25 THR OG1 : rot 72:sc= 0.257 USER MOD Single : A 26 SER OG : rot -71:sc= 0.189! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 128:sc= 1.22 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 80:sc= -0.556! USER MOD Single : A 39 GLN : amide:sc=-0.00773 X(o=-0.0077,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 170:sc= -12.5! (180deg=-12.8!) USER MOD Single : A 61 GLN :FLIP amide:sc= -3.49! C(o=-6.2!,f=-3.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -121:sc= -1.19 (180deg=-3.43!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.0721 F(o=-0.6,f=-0.072) USER MOD Single : A 70 TYR OH : rot 165:sc= -0.502 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -2.33! C(o=-4.6!,f=-2.3!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 99 MET CE :methyl -147:sc= -0.508 (180deg=-2.63!) USER MOD Single : A 100 SER OG : rot 85:sc= 1.06 USER MOD Single : A 105 HIS : no HD1:sc= -4.4 K(o=-4.4,f=-11!) USER MOD Single : A 106 TYR OH : rot 145:sc= -4.54! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -9.458 -12.911 14.511 1.00 1.00 N ATOM 2 CA GLU A 1 -8.169 -13.001 15.174 1.00 1.00 C ATOM 3 C GLU A 1 -7.582 -11.605 15.385 1.00 1.00 C ATOM 4 O GLU A 1 -6.488 -11.463 15.929 1.00 1.00 O ATOM 5 CB GLU A 1 -7.205 -13.887 14.382 1.00 1.00 C ATOM 6 CG GLU A 1 -6.966 -15.216 15.101 1.00 1.00 C ATOM 7 CD GLU A 1 -8.094 -16.208 14.811 1.00 1.00 C ATOM 8 OE1 GLU A 1 -8.727 -16.051 13.745 1.00 1.00 O ATOM 9 OE2 GLU A 1 -8.297 -17.102 15.662 1.00 1.00 O ATOM 0 H1 GLU A 1 -10.080 -13.668 14.858 1.00 1.00 H new ATOM 0 H2 GLU A 1 -9.890 -11.987 14.715 1.00 1.00 H new ATOM 0 H3 GLU A 1 -9.328 -13.013 13.484 1.00 1.00 H new ATOM 0 HA GLU A 1 -8.316 -13.463 16.150 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -7.611 -14.075 13.388 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -6.257 -13.367 14.246 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -6.014 -15.640 14.782 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -6.895 -15.045 16.175 1.00 1.00 H new ATOM 16 N LYS A 2 -8.334 -10.608 14.943 1.00 1.00 N ATOM 17 CA LYS A 2 -7.902 -9.227 15.076 1.00 1.00 C ATOM 18 C LYS A 2 -6.612 -9.022 14.281 1.00 1.00 C ATOM 19 O LYS A 2 -5.660 -9.788 14.428 1.00 1.00 O ATOM 20 CB LYS A 2 -7.784 -8.843 16.552 1.00 1.00 C ATOM 21 CG LYS A 2 -9.165 -8.675 17.189 1.00 1.00 C ATOM 22 CD LYS A 2 -9.400 -9.729 18.272 1.00 1.00 C ATOM 23 CE LYS A 2 -10.484 -10.722 17.845 1.00 1.00 C ATOM 24 NZ LYS A 2 -10.147 -12.087 18.308 1.00 1.00 N ATOM 0 H LYS A 2 -9.241 -10.729 14.492 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.647 -8.552 14.654 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -7.224 -9.610 17.087 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -7.221 -7.914 16.646 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -9.251 -7.678 17.622 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.936 -8.758 16.423 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -8.471 -10.263 18.472 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -9.694 -9.241 19.201 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.446 -10.419 18.257 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.586 -10.714 16.760 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -10.892 -12.748 18.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.239 -12.380 17.894 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.073 -12.093 19.345 1.00 1.00 H new ATOM 38 N PRO A 3 -6.620 -7.958 13.435 1.00 1.00 N ATOM 39 CA PRO A 3 -5.461 -7.643 12.617 1.00 1.00 C ATOM 40 C PRO A 3 -4.352 -7.009 13.458 1.00 1.00 C ATOM 41 O PRO A 3 -4.545 -6.735 14.642 1.00 1.00 O ATOM 42 CB PRO A 3 -5.986 -6.717 11.532 1.00 1.00 C ATOM 43 CG PRO A 3 -7.310 -6.178 12.048 1.00 1.00 C ATOM 44 CD PRO A 3 -7.729 -7.029 13.236 1.00 1.00 C ATOM 0 HA PRO A 3 -5.002 -8.529 12.179 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -5.284 -5.906 11.337 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -6.122 -7.254 10.593 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -7.208 -5.134 12.344 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -8.068 -6.215 11.266 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.897 -6.417 14.122 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -8.659 -7.560 13.034 1.00 1.00 H new ATOM 52 N ALA A 4 -3.213 -6.795 12.816 1.00 1.00 N ATOM 53 CA ALA A 4 -2.073 -6.199 13.490 1.00 1.00 C ATOM 54 C ALA A 4 -2.565 -5.125 14.462 1.00 1.00 C ATOM 55 O ALA A 4 -2.125 -5.072 15.609 1.00 1.00 O ATOM 56 CB ALA A 4 -1.099 -5.641 12.449 1.00 1.00 C ATOM 0 H ALA A 4 -3.055 -7.024 11.835 1.00 1.00 H new ATOM 0 HA ALA A 4 -1.536 -6.948 14.071 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -0.243 -5.194 12.954 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -0.757 -6.448 11.802 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -1.603 -4.883 11.849 1.00 1.00 H new ATOM 62 N ALA A 5 -3.471 -4.294 13.967 1.00 1.00 N ATOM 63 CA ALA A 5 -4.028 -3.225 14.778 1.00 1.00 C ATOM 64 C ALA A 5 -3.148 -1.980 14.648 1.00 1.00 C ATOM 65 O ALA A 5 -3.529 -0.896 15.087 1.00 1.00 O ATOM 66 CB ALA A 5 -4.158 -3.698 16.228 1.00 1.00 C ATOM 0 H ALA A 5 -3.833 -4.340 13.014 1.00 1.00 H new ATOM 0 HA ALA A 5 -5.027 -2.961 14.430 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.576 -2.896 16.836 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.816 -4.566 16.270 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -3.175 -3.970 16.612 1.00 1.00 H new ATOM 72 N CYS A 6 -1.986 -2.178 14.042 1.00 1.00 N ATOM 73 CA CYS A 6 -1.049 -1.085 13.848 1.00 1.00 C ATOM 74 C CYS A 6 -1.399 -0.379 12.537 1.00 1.00 C ATOM 75 O CYS A 6 -0.611 0.418 12.027 1.00 1.00 O ATOM 76 CB CYS A 6 0.402 -1.574 13.863 1.00 1.00 C ATOM 77 SG CYS A 6 1.193 -1.576 15.513 1.00 1.00 S ATOM 0 H CYS A 6 -1.673 -3.078 13.679 1.00 1.00 H new ATOM 0 HA CYS A 6 -1.134 -0.379 14.674 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.434 -2.586 13.459 1.00 1.00 H new ATOM 0 HB3 CYS A 6 0.990 -0.945 13.194 1.00 1.00 H new ATOM 82 N ARG A 7 -2.580 -0.695 12.028 1.00 1.00 N ATOM 83 CA ARG A 7 -3.044 -0.100 10.787 1.00 1.00 C ATOM 84 C ARG A 7 -4.492 0.372 10.932 1.00 1.00 C ATOM 85 O ARG A 7 -5.189 0.562 9.938 1.00 1.00 O ATOM 86 CB ARG A 7 -2.954 -1.098 9.630 1.00 1.00 C ATOM 87 CG ARG A 7 -3.725 -2.381 9.952 1.00 1.00 C ATOM 88 CD ARG A 7 -2.786 -3.466 10.483 1.00 1.00 C ATOM 89 NE ARG A 7 -3.129 -4.772 9.877 1.00 1.00 N ATOM 90 CZ ARG A 7 -2.414 -5.363 8.911 1.00 1.00 C ATOM 91 NH1 ARG A 7 -1.313 -4.768 8.432 1.00 1.00 N ATOM 92 NH2 ARG A 7 -2.801 -6.549 8.420 1.00 1.00 N ATOM 0 H ARG A 7 -3.230 -1.356 12.453 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.401 0.752 10.568 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.355 -0.646 8.723 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -1.909 -1.337 9.432 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -4.497 -2.170 10.692 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -4.231 -2.740 9.056 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -1.752 -3.209 10.252 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -2.865 -3.527 11.568 1.00 1.00 H new ATOM 0 HE ARG A 7 -3.962 -5.252 10.216 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -1.019 -3.865 8.803 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -0.769 -5.219 7.696 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -3.640 -7.002 8.782 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -2.256 -6.999 7.684 1.00 1.00 H new ATOM 106 N CYS A 8 -4.901 0.547 12.181 1.00 1.00 N ATOM 107 CA CYS A 8 -6.253 0.994 12.469 1.00 1.00 C ATOM 108 C CYS A 8 -6.171 2.345 13.183 1.00 1.00 C ATOM 109 O CYS A 8 -6.819 3.307 12.775 1.00 1.00 O ATOM 110 CB CYS A 8 -7.027 -0.040 13.290 1.00 1.00 C ATOM 111 SG CYS A 8 -6.716 -1.781 12.822 1.00 1.00 S ATOM 0 H CYS A 8 -4.320 0.387 13.004 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.807 1.110 11.537 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.774 0.089 14.342 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -8.093 0.163 13.191 1.00 1.00 H new ATOM 116 N SER A 9 -5.368 2.373 14.236 1.00 1.00 N ATOM 117 CA SER A 9 -5.192 3.590 15.011 1.00 1.00 C ATOM 118 C SER A 9 -4.035 4.412 14.440 1.00 1.00 C ATOM 119 O SER A 9 -3.718 5.484 14.952 1.00 1.00 O ATOM 120 CB SER A 9 -4.940 3.272 16.486 1.00 1.00 C ATOM 121 OG SER A 9 -3.613 2.807 16.713 1.00 1.00 O ATOM 0 H SER A 9 -4.832 1.573 14.571 1.00 1.00 H new ATOM 0 HA SER A 9 -6.111 4.173 14.945 1.00 1.00 H new ATOM 0 HB2 SER A 9 -5.118 4.165 17.085 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.651 2.517 16.820 1.00 1.00 H new ATOM 0 HG SER A 9 -3.325 3.066 17.613 1.00 1.00 H new ATOM 127 N ARG A 10 -3.435 3.877 13.386 1.00 1.00 N ATOM 128 CA ARG A 10 -2.320 4.547 12.740 1.00 1.00 C ATOM 129 C ARG A 10 -2.779 5.206 11.437 1.00 1.00 C ATOM 130 O ARG A 10 -2.150 6.147 10.958 1.00 1.00 O ATOM 131 CB ARG A 10 -1.188 3.564 12.435 1.00 1.00 C ATOM 132 CG ARG A 10 0.120 4.305 12.150 1.00 1.00 C ATOM 133 CD ARG A 10 0.838 4.672 13.450 1.00 1.00 C ATOM 134 NE ARG A 10 0.324 5.960 13.966 1.00 1.00 N ATOM 135 CZ ARG A 10 0.547 6.414 15.207 1.00 1.00 C ATOM 136 NH1 ARG A 10 1.275 5.688 16.066 1.00 1.00 N ATOM 137 NH2 ARG A 10 0.041 7.595 15.589 1.00 1.00 N ATOM 0 H ARG A 10 -3.701 2.987 12.964 1.00 1.00 H new ATOM 0 HA ARG A 10 -1.949 5.309 13.426 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -1.051 2.888 13.279 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -1.457 2.950 11.576 1.00 1.00 H new ATOM 0 HG2 ARG A 10 0.769 3.681 11.536 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -0.088 5.209 11.578 1.00 1.00 H new ATOM 0 HD2 ARG A 10 0.688 3.888 14.192 1.00 1.00 H new ATOM 0 HD3 ARG A 10 1.911 4.743 13.275 1.00 1.00 H new ATOM 0 HE ARG A 10 -0.235 6.538 13.338 1.00 1.00 H new ATOM 0 HH11 ARG A 10 1.660 4.789 15.776 1.00 1.00 H new ATOM 0 HH12 ARG A 10 1.444 6.034 17.010 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -0.514 8.148 14.935 1.00 1.00 H new ATOM 0 HH22 ARG A 10 0.210 7.941 16.533 1.00 1.00 H new ATOM 151 N GLN A 11 -3.872 4.684 10.901 1.00 1.00 N ATOM 152 CA GLN A 11 -4.424 5.209 9.663 1.00 1.00 C ATOM 153 C GLN A 11 -4.562 6.731 9.747 1.00 1.00 C ATOM 154 O GLN A 11 -4.202 7.336 10.756 1.00 1.00 O ATOM 155 CB GLN A 11 -5.767 4.553 9.339 1.00 1.00 C ATOM 156 CG GLN A 11 -5.635 3.031 9.282 1.00 1.00 C ATOM 157 CD GLN A 11 -6.468 2.450 8.137 1.00 1.00 C ATOM 158 OE1 GLN A 11 -6.596 3.030 7.072 1.00 1.00 O ATOM 159 NE2 GLN A 11 -7.027 1.276 8.417 1.00 1.00 N ATOM 0 H GLN A 11 -4.391 3.902 11.301 1.00 1.00 H new ATOM 0 HA GLN A 11 -3.737 4.970 8.852 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -6.502 4.830 10.095 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -6.136 4.925 8.383 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -4.588 2.758 9.150 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -5.960 2.599 10.228 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -6.879 0.845 9.330 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -7.604 0.806 7.719 1.00 1.00 H new ATOM 168 N ASP A 12 -5.083 7.306 8.673 1.00 1.00 N ATOM 169 CA ASP A 12 -5.273 8.744 8.613 1.00 1.00 C ATOM 170 C ASP A 12 -6.740 9.074 8.899 1.00 1.00 C ATOM 171 O ASP A 12 -7.631 8.288 8.578 1.00 1.00 O ATOM 172 CB ASP A 12 -4.930 9.288 7.225 1.00 1.00 C ATOM 173 CG ASP A 12 -5.198 10.781 7.030 1.00 1.00 C ATOM 174 OD1 ASP A 12 -6.386 11.161 7.124 1.00 1.00 O ATOM 175 OD2 ASP A 12 -4.210 11.510 6.791 1.00 1.00 O ATOM 0 H ASP A 12 -5.379 6.801 7.838 1.00 1.00 H new ATOM 0 HA ASP A 12 -4.616 9.201 9.353 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.876 9.095 7.026 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -5.502 8.732 6.482 1.00 1.00 H new ATOM 180 N PRO A 13 -6.951 10.266 9.518 1.00 1.00 N ATOM 181 CA PRO A 13 -8.295 10.708 9.852 1.00 1.00 C ATOM 182 C PRO A 13 -9.041 11.184 8.604 1.00 1.00 C ATOM 183 O PRO A 13 -9.071 12.378 8.311 1.00 1.00 O ATOM 184 CB PRO A 13 -8.102 11.807 10.884 1.00 1.00 C ATOM 185 CG PRO A 13 -6.657 12.259 10.747 1.00 1.00 C ATOM 186 CD PRO A 13 -5.921 11.222 9.915 1.00 1.00 C ATOM 0 HA PRO A 13 -8.914 9.906 10.254 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -8.789 12.635 10.706 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -8.302 11.438 11.890 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -6.607 13.237 10.269 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -6.194 12.360 11.729 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -5.446 11.676 9.045 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -5.133 10.738 10.492 1.00 1.00 H new ATOM 194 N LYS A 14 -9.625 10.224 7.902 1.00 1.00 N ATOM 195 CA LYS A 14 -10.370 10.530 6.692 1.00 1.00 C ATOM 196 C LYS A 14 -9.538 10.131 5.472 1.00 1.00 C ATOM 197 O LYS A 14 -8.800 10.947 4.925 1.00 1.00 O ATOM 198 CB LYS A 14 -10.803 11.998 6.686 1.00 1.00 C ATOM 199 CG LYS A 14 -11.939 12.230 5.686 1.00 1.00 C ATOM 200 CD LYS A 14 -12.842 13.379 6.140 1.00 1.00 C ATOM 201 CE LYS A 14 -14.165 12.848 6.696 1.00 1.00 C ATOM 202 NZ LYS A 14 -14.384 13.342 8.073 1.00 1.00 N ATOM 0 H LYS A 14 -9.598 9.234 8.148 1.00 1.00 H new ATOM 0 HA LYS A 14 -11.291 9.949 6.655 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -11.128 12.289 7.685 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.953 12.631 6.430 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -11.524 12.455 4.704 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -12.528 11.319 5.581 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -12.332 13.967 6.903 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -13.038 14.046 5.301 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -14.988 13.163 6.055 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -14.157 11.758 6.691 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -15.401 13.495 8.229 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -14.031 12.640 8.754 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -13.875 14.239 8.205 1.00 1.00 H new ATOM 216 N ASN A 15 -9.687 8.873 5.081 1.00 1.00 N ATOM 217 CA ASN A 15 -8.959 8.355 3.935 1.00 1.00 C ATOM 218 C ASN A 15 -9.654 7.092 3.423 1.00 1.00 C ATOM 219 O ASN A 15 -9.773 6.890 2.216 1.00 1.00 O ATOM 220 CB ASN A 15 -7.524 7.984 4.316 1.00 1.00 C ATOM 221 CG ASN A 15 -6.552 9.107 3.949 1.00 1.00 C ATOM 222 OD1 ASN A 15 -6.461 10.064 4.867 1.00 1.00 O flip ATOM 223 ND2 ASN A 15 -5.925 9.102 2.902 1.00 1.00 N flip ATOM 0 H ASN A 15 -10.301 8.198 5.537 1.00 1.00 H new ATOM 0 HA ASN A 15 -8.940 9.130 3.169 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -7.468 7.785 5.386 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -7.234 7.066 3.805 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -6.043 8.335 2.241 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -5.283 9.865 2.688 1.00 1.00 H new ATOM 230 N ARG A 16 -10.095 6.273 4.368 1.00 1.00 N ATOM 231 CA ARG A 16 -10.775 5.035 4.028 1.00 1.00 C ATOM 232 C ARG A 16 -12.249 5.112 4.428 1.00 1.00 C ATOM 233 O ARG A 16 -12.620 5.903 5.295 1.00 1.00 O ATOM 234 CB ARG A 16 -10.125 3.839 4.727 1.00 1.00 C ATOM 235 CG ARG A 16 -8.742 3.546 4.142 1.00 1.00 C ATOM 236 CD ARG A 16 -8.795 3.492 2.614 1.00 1.00 C ATOM 237 NE ARG A 16 -7.601 2.791 2.091 1.00 1.00 N ATOM 238 CZ ARG A 16 -7.453 1.459 2.086 1.00 1.00 C ATOM 239 NH1 ARG A 16 -8.423 0.676 2.577 1.00 1.00 N ATOM 240 NH2 ARG A 16 -6.334 0.911 1.593 1.00 1.00 N ATOM 0 H ARG A 16 -9.994 6.443 5.369 1.00 1.00 H new ATOM 0 HA ARG A 16 -10.695 4.898 2.950 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -10.037 4.041 5.794 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -10.762 2.961 4.621 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -8.038 4.316 4.458 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -8.372 2.597 4.531 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -9.700 2.977 2.291 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -8.841 4.502 2.207 1.00 1.00 H new ATOM 0 HE ARG A 16 -6.843 3.357 1.710 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -9.274 1.094 2.954 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -8.311 -0.338 2.573 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -5.595 1.508 1.222 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -6.221 -0.103 1.589 1.00 1.00 H new ATOM 254 N VAL A 17 -13.050 4.280 3.779 1.00 1.00 N ATOM 255 CA VAL A 17 -14.476 4.244 4.057 1.00 1.00 C ATOM 256 C VAL A 17 -14.724 3.422 5.323 1.00 1.00 C ATOM 257 O VAL A 17 -13.779 2.980 5.975 1.00 1.00 O ATOM 258 CB VAL A 17 -15.233 3.709 2.839 1.00 1.00 C ATOM 259 CG1 VAL A 17 -16.657 4.266 2.791 1.00 1.00 C ATOM 260 CG2 VAL A 17 -14.479 4.020 1.545 1.00 1.00 C ATOM 0 H VAL A 17 -12.739 3.625 3.061 1.00 1.00 H new ATOM 0 HA VAL A 17 -14.854 5.249 4.243 1.00 1.00 H new ATOM 0 HB VAL A 17 -15.300 2.625 2.935 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -17.173 3.870 1.916 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -17.193 3.971 3.693 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -16.620 5.354 2.730 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -15.038 3.629 0.695 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -14.366 5.099 1.440 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -13.494 3.554 1.577 1.00 1.00 H new ATOM 270 N ASN A 18 -15.999 3.243 5.633 1.00 1.00 N ATOM 271 CA ASN A 18 -16.384 2.482 6.811 1.00 1.00 C ATOM 272 C ASN A 18 -16.585 1.016 6.421 1.00 1.00 C ATOM 273 O ASN A 18 -16.841 0.709 5.258 1.00 1.00 O ATOM 274 CB ASN A 18 -17.698 3.001 7.398 1.00 1.00 C ATOM 275 CG ASN A 18 -18.743 3.209 6.301 1.00 1.00 C ATOM 276 OD1 ASN A 18 -18.641 4.374 5.669 1.00 1.00 O flip ATOM 277 ND2 ASN A 18 -19.588 2.365 6.045 1.00 1.00 N flip ATOM 0 H ASN A 18 -16.780 3.611 5.089 1.00 1.00 H new ATOM 0 HA ASN A 18 -15.593 2.586 7.554 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -18.076 2.293 8.136 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -17.521 3.941 7.920 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -19.611 1.490 6.569 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -20.271 2.535 5.307 1.00 1.00 H new ATOM 284 N CYS A 19 -16.464 0.151 7.417 1.00 1.00 N ATOM 285 CA CYS A 19 -16.630 -1.275 7.193 1.00 1.00 C ATOM 286 C CYS A 19 -17.407 -1.859 8.375 1.00 1.00 C ATOM 287 O CYS A 19 -17.058 -2.923 8.887 1.00 1.00 O ATOM 288 CB CYS A 19 -15.286 -1.977 6.991 1.00 1.00 C ATOM 289 SG CYS A 19 -15.397 -3.782 6.710 1.00 1.00 S ATOM 0 H CYS A 19 -16.253 0.410 8.381 1.00 1.00 H new ATOM 0 HA CYS A 19 -17.192 -1.438 6.273 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -14.779 -1.522 6.141 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -14.663 -1.798 7.867 1.00 1.00 H new ATOM 294 N GLY A 20 -18.445 -1.139 8.774 1.00 1.00 N ATOM 295 CA GLY A 20 -19.273 -1.573 9.887 1.00 1.00 C ATOM 296 C GLY A 20 -20.438 -0.607 10.112 1.00 1.00 C ATOM 297 O GLY A 20 -20.955 -0.021 9.163 1.00 1.00 O ATOM 0 H GLY A 20 -18.732 -0.258 8.347 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -19.658 -2.573 9.690 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -18.668 -1.637 10.792 1.00 1.00 H new ATOM 301 N PHE A 21 -20.816 -0.470 11.375 1.00 1.00 N ATOM 302 CA PHE A 21 -21.910 0.415 11.737 1.00 1.00 C ATOM 303 C PHE A 21 -21.585 1.194 13.014 1.00 1.00 C ATOM 304 O PHE A 21 -20.641 0.857 13.727 1.00 1.00 O ATOM 305 CB PHE A 21 -23.134 -0.468 11.989 1.00 1.00 C ATOM 306 CG PHE A 21 -22.809 -1.806 12.655 1.00 1.00 C ATOM 307 CD1 PHE A 21 -22.068 -2.734 11.992 1.00 1.00 C ATOM 308 CD2 PHE A 21 -23.263 -2.069 13.911 1.00 1.00 C ATOM 309 CE1 PHE A 21 -21.767 -3.976 12.610 1.00 1.00 C ATOM 310 CE2 PHE A 21 -22.961 -3.312 14.529 1.00 1.00 C ATOM 311 CZ PHE A 21 -22.220 -4.240 13.866 1.00 1.00 C ATOM 0 H PHE A 21 -20.384 -0.957 12.160 1.00 1.00 H new ATOM 0 HA PHE A 21 -22.086 1.136 10.939 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -23.839 0.077 12.617 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -23.634 -0.658 11.039 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -21.709 -2.526 10.995 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -23.853 -1.333 14.437 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -21.178 -4.712 12.083 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -23.320 -3.520 15.526 1.00 1.00 H new ATOM 0 HZ PHE A 21 -21.991 -5.185 14.336 1.00 1.00 H new ATOM 321 N PRO A 22 -22.408 2.246 13.269 1.00 1.00 N ATOM 322 CA PRO A 22 -22.217 3.075 14.448 1.00 1.00 C ATOM 323 C PRO A 22 -22.693 2.352 15.709 1.00 1.00 C ATOM 324 O PRO A 22 -22.652 2.913 16.803 1.00 1.00 O ATOM 325 CB PRO A 22 -22.998 4.348 14.162 1.00 1.00 C ATOM 326 CG PRO A 22 -23.970 4.000 13.047 1.00 1.00 C ATOM 327 CD PRO A 22 -23.536 2.672 12.448 1.00 1.00 C ATOM 0 HA PRO A 22 -21.168 3.301 14.640 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -23.529 4.688 15.051 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -22.331 5.156 13.861 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -24.986 3.930 13.435 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -23.972 4.780 12.285 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -24.345 1.942 12.477 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -23.245 2.785 11.404 1.00 1.00 H new ATOM 335 N GLY A 23 -23.134 1.118 15.515 1.00 1.00 N ATOM 336 CA GLY A 23 -23.617 0.312 16.624 1.00 1.00 C ATOM 337 C GLY A 23 -22.726 -0.913 16.840 1.00 1.00 C ATOM 338 O GLY A 23 -23.050 -1.786 17.644 1.00 1.00 O ATOM 0 H GLY A 23 -23.167 0.656 14.606 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -23.641 0.914 17.533 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -24.640 -0.008 16.427 1.00 1.00 H new ATOM 342 N ILE A 24 -21.623 -0.940 16.107 1.00 1.00 N ATOM 343 CA ILE A 24 -20.684 -2.044 16.208 1.00 1.00 C ATOM 344 C ILE A 24 -20.114 -2.095 17.628 1.00 1.00 C ATOM 345 O ILE A 24 -20.372 -1.204 18.436 1.00 1.00 O ATOM 346 CB ILE A 24 -19.613 -1.938 15.121 1.00 1.00 C ATOM 347 CG1 ILE A 24 -19.026 -3.313 14.794 1.00 1.00 C ATOM 348 CG2 ILE A 24 -18.531 -0.930 15.511 1.00 1.00 C ATOM 349 CD1 ILE A 24 -18.586 -3.388 13.331 1.00 1.00 C ATOM 0 H ILE A 24 -21.358 -0.215 15.440 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.192 -2.992 16.032 1.00 1.00 H new ATOM 0 HB ILE A 24 -20.085 -1.565 14.212 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -18.174 -3.513 15.444 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.768 -4.086 14.994 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -17.783 -0.875 14.720 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -18.982 0.052 15.652 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.055 -1.248 16.439 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -18.173 -4.375 13.126 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -19.445 -3.212 12.683 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.826 -2.630 13.140 1.00 1.00 H new ATOM 361 N THR A 25 -19.352 -3.146 17.888 1.00 1.00 N ATOM 362 CA THR A 25 -18.744 -3.326 19.195 1.00 1.00 C ATOM 363 C THR A 25 -17.255 -3.651 19.052 1.00 1.00 C ATOM 364 O THR A 25 -16.726 -4.488 19.781 1.00 1.00 O ATOM 365 CB THR A 25 -19.532 -4.405 19.939 1.00 1.00 C ATOM 366 OG1 THR A 25 -19.125 -5.622 19.320 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.035 -4.329 19.661 1.00 1.00 C ATOM 0 H THR A 25 -19.141 -3.883 17.215 1.00 1.00 H new ATOM 0 HA THR A 25 -18.789 -2.408 19.781 1.00 1.00 H new ATOM 0 HB THR A 25 -19.356 -4.309 21.010 1.00 1.00 H new ATOM 0 HG1 THR A 25 -18.203 -5.829 19.580 1.00 1.00 H new ATOM 0 HG21 THR A 25 -21.547 -5.117 20.213 1.00 1.00 H new ATOM 0 HG22 THR A 25 -21.415 -3.358 19.978 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.215 -4.458 18.594 1.00 1.00 H new ATOM 375 N SER A 26 -16.623 -2.972 18.106 1.00 1.00 N ATOM 376 CA SER A 26 -15.207 -3.178 17.858 1.00 1.00 C ATOM 377 C SER A 26 -14.959 -4.618 17.404 1.00 1.00 C ATOM 378 O SER A 26 -14.652 -4.861 16.237 1.00 1.00 O ATOM 379 CB SER A 26 -14.377 -2.865 19.105 1.00 1.00 C ATOM 380 OG SER A 26 -14.498 -3.881 20.096 1.00 1.00 O ATOM 0 H SER A 26 -17.066 -2.279 17.502 1.00 1.00 H new ATOM 0 HA SER A 26 -14.896 -2.495 17.067 1.00 1.00 H new ATOM 0 HB2 SER A 26 -13.329 -2.755 18.825 1.00 1.00 H new ATOM 0 HB3 SER A 26 -14.697 -1.911 19.523 1.00 1.00 H new ATOM 0 HG SER A 26 -15.393 -3.845 20.494 1.00 1.00 H new ATOM 386 N ASP A 27 -15.102 -5.536 18.349 1.00 1.00 N ATOM 387 CA ASP A 27 -14.899 -6.945 18.061 1.00 1.00 C ATOM 388 C ASP A 27 -15.464 -7.265 16.675 1.00 1.00 C ATOM 389 O ASP A 27 -14.712 -7.545 15.744 1.00 1.00 O ATOM 390 CB ASP A 27 -15.621 -7.826 19.081 1.00 1.00 C ATOM 391 CG ASP A 27 -15.056 -7.766 20.502 1.00 1.00 C ATOM 392 OD1 ASP A 27 -13.982 -8.370 20.712 1.00 1.00 O ATOM 393 OD2 ASP A 27 -15.712 -7.118 21.346 1.00 1.00 O ATOM 0 H ASP A 27 -15.356 -5.331 19.315 1.00 1.00 H new ATOM 0 HA ASP A 27 -13.829 -7.147 18.105 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.671 -7.535 19.111 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -15.586 -8.859 18.736 1.00 1.00 H new ATOM 398 N GLN A 28 -16.785 -7.213 16.585 1.00 1.00 N ATOM 399 CA GLN A 28 -17.461 -7.494 15.329 1.00 1.00 C ATOM 400 C GLN A 28 -16.778 -6.748 14.181 1.00 1.00 C ATOM 401 O GLN A 28 -16.884 -7.152 13.024 1.00 1.00 O ATOM 402 CB GLN A 28 -18.945 -7.134 15.412 1.00 1.00 C ATOM 403 CG GLN A 28 -19.700 -8.119 16.307 1.00 1.00 C ATOM 404 CD GLN A 28 -20.574 -9.058 15.474 1.00 1.00 C ATOM 405 OE1 GLN A 28 -20.220 -10.190 15.189 1.00 1.00 O ATOM 406 NE2 GLN A 28 -21.734 -8.525 15.098 1.00 1.00 N ATOM 0 H GLN A 28 -17.405 -6.981 17.361 1.00 1.00 H new ATOM 0 HA GLN A 28 -17.392 -8.564 15.133 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -19.056 -6.123 15.804 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -19.380 -7.138 14.413 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -18.989 -8.702 16.893 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -20.321 -7.570 17.015 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -21.969 -7.571 15.371 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -22.388 -9.071 14.537 1.00 1.00 H new ATOM 415 N CYS A 29 -16.094 -5.672 14.541 1.00 1.00 N ATOM 416 CA CYS A 29 -15.394 -4.866 13.555 1.00 1.00 C ATOM 417 C CYS A 29 -13.985 -5.436 13.380 1.00 1.00 C ATOM 418 O CYS A 29 -13.456 -5.462 12.270 1.00 1.00 O ATOM 419 CB CYS A 29 -15.368 -3.387 13.950 1.00 1.00 C ATOM 420 SG CYS A 29 -15.060 -2.230 12.566 1.00 1.00 S ATOM 0 H CYS A 29 -16.010 -5.339 15.502 1.00 1.00 H new ATOM 0 HA CYS A 29 -15.922 -4.911 12.603 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -16.321 -3.132 14.413 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.597 -3.241 14.706 1.00 1.00 H new ATOM 425 N PHE A 30 -13.418 -5.877 14.493 1.00 1.00 N ATOM 426 CA PHE A 30 -12.080 -6.445 14.478 1.00 1.00 C ATOM 427 C PHE A 30 -12.126 -7.949 14.200 1.00 1.00 C ATOM 428 O PHE A 30 -11.338 -8.711 14.757 1.00 1.00 O ATOM 429 CB PHE A 30 -11.479 -6.212 15.865 1.00 1.00 C ATOM 430 CG PHE A 30 -10.807 -4.847 16.032 1.00 1.00 C ATOM 431 CD1 PHE A 30 -10.038 -4.342 15.032 1.00 1.00 C ATOM 432 CD2 PHE A 30 -10.980 -4.140 17.181 1.00 1.00 C ATOM 433 CE1 PHE A 30 -9.414 -3.076 15.186 1.00 1.00 C ATOM 434 CE2 PHE A 30 -10.356 -2.874 17.336 1.00 1.00 C ATOM 435 CZ PHE A 30 -9.586 -2.369 16.335 1.00 1.00 C ATOM 0 H PHE A 30 -13.861 -5.853 15.412 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.486 -5.976 13.694 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.266 -6.311 16.612 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -10.746 -6.993 16.068 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -9.901 -4.904 14.120 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -11.592 -4.541 17.975 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -8.803 -2.675 14.391 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -10.493 -2.312 18.248 1.00 1.00 H new ATOM 0 HZ PHE A 30 -9.111 -1.406 16.453 1.00 1.00 H new ATOM 445 N THR A 31 -13.058 -8.331 13.339 1.00 1.00 N ATOM 446 CA THR A 31 -13.217 -9.729 12.980 1.00 1.00 C ATOM 447 C THR A 31 -12.023 -10.207 12.153 1.00 1.00 C ATOM 448 O THR A 31 -12.109 -11.217 11.457 1.00 1.00 O ATOM 449 CB THR A 31 -14.557 -9.883 12.258 1.00 1.00 C ATOM 450 OG1 THR A 31 -15.516 -9.412 13.201 1.00 1.00 O ATOM 451 CG2 THR A 31 -14.939 -11.349 12.039 1.00 1.00 C ATOM 0 H THR A 31 -13.711 -7.696 12.880 1.00 1.00 H new ATOM 0 HA THR A 31 -13.234 -10.365 13.865 1.00 1.00 H new ATOM 0 HB THR A 31 -14.512 -9.372 11.296 1.00 1.00 H new ATOM 0 HG1 THR A 31 -16.085 -8.735 12.779 1.00 1.00 H new ATOM 0 HG21 THR A 31 -15.898 -11.402 11.523 1.00 1.00 H new ATOM 0 HG22 THR A 31 -14.174 -11.838 11.435 1.00 1.00 H new ATOM 0 HG23 THR A 31 -15.017 -11.852 13.003 1.00 1.00 H new ATOM 459 N SER A 32 -10.934 -9.458 12.257 1.00 1.00 N ATOM 460 CA SER A 32 -9.723 -9.793 11.527 1.00 1.00 C ATOM 461 C SER A 32 -9.852 -9.348 10.069 1.00 1.00 C ATOM 462 O SER A 32 -8.926 -9.525 9.278 1.00 1.00 O ATOM 463 CB SER A 32 -9.431 -11.293 11.600 1.00 1.00 C ATOM 464 OG SER A 32 -8.046 -11.577 11.433 1.00 1.00 O ATOM 0 H SER A 32 -10.866 -8.621 12.836 1.00 1.00 H new ATOM 0 HA SER A 32 -8.889 -9.266 11.990 1.00 1.00 H new ATOM 0 HB2 SER A 32 -9.767 -11.681 12.562 1.00 1.00 H new ATOM 0 HB3 SER A 32 -10.002 -11.811 10.830 1.00 1.00 H new ATOM 0 HG SER A 32 -7.902 -12.545 11.488 1.00 1.00 H new ATOM 470 N GLY A 33 -11.006 -8.779 9.756 1.00 1.00 N ATOM 471 CA GLY A 33 -11.268 -8.307 8.408 1.00 1.00 C ATOM 472 C GLY A 33 -11.229 -6.779 8.344 1.00 1.00 C ATOM 473 O GLY A 33 -10.478 -6.206 7.556 1.00 1.00 O ATOM 0 H GLY A 33 -11.772 -8.634 10.414 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -10.528 -8.722 7.723 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -12.244 -8.663 8.077 1.00 1.00 H new ATOM 477 N CYS A 34 -12.047 -6.162 9.183 1.00 1.00 N ATOM 478 CA CYS A 34 -12.115 -4.712 9.232 1.00 1.00 C ATOM 479 C CYS A 34 -11.396 -4.239 10.498 1.00 1.00 C ATOM 480 O CYS A 34 -11.176 -5.022 11.420 1.00 1.00 O ATOM 481 CB CYS A 34 -13.560 -4.211 9.176 1.00 1.00 C ATOM 482 SG CYS A 34 -14.602 -5.015 7.905 1.00 1.00 S ATOM 0 H CYS A 34 -12.669 -6.640 9.835 1.00 1.00 H new ATOM 0 HA CYS A 34 -11.620 -4.293 8.356 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -14.020 -4.363 10.152 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -13.550 -3.137 8.992 1.00 1.00 H new ATOM 487 N CYS A 35 -11.049 -2.961 10.499 1.00 1.00 N ATOM 488 CA CYS A 35 -10.359 -2.374 11.637 1.00 1.00 C ATOM 489 C CYS A 35 -11.342 -1.466 12.378 1.00 1.00 C ATOM 490 O CYS A 35 -12.431 -1.188 11.881 1.00 1.00 O ATOM 491 CB CYS A 35 -9.098 -1.621 11.206 1.00 1.00 C ATOM 492 SG CYS A 35 -7.557 -2.604 11.274 1.00 1.00 S ATOM 0 H CYS A 35 -11.232 -2.315 9.731 1.00 1.00 H new ATOM 0 HA CYS A 35 -10.020 -3.163 12.308 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -9.238 -1.260 10.187 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -8.981 -0.743 11.842 1.00 1.00 H new ATOM 497 N PHE A 36 -10.920 -1.029 13.556 1.00 1.00 N ATOM 498 CA PHE A 36 -11.749 -0.158 14.371 1.00 1.00 C ATOM 499 C PHE A 36 -10.888 0.743 15.260 1.00 1.00 C ATOM 500 O PHE A 36 -10.365 0.297 16.280 1.00 1.00 O ATOM 501 CB PHE A 36 -12.608 -1.060 15.259 1.00 1.00 C ATOM 502 CG PHE A 36 -13.589 -0.300 16.154 1.00 1.00 C ATOM 503 CD1 PHE A 36 -14.527 0.512 15.598 1.00 1.00 C ATOM 504 CD2 PHE A 36 -13.522 -0.437 17.505 1.00 1.00 C ATOM 505 CE1 PHE A 36 -15.438 1.217 16.429 1.00 1.00 C ATOM 506 CE2 PHE A 36 -14.432 0.269 18.336 1.00 1.00 C ATOM 507 CZ PHE A 36 -15.371 1.081 17.780 1.00 1.00 C ATOM 0 H PHE A 36 -10.015 -1.262 13.965 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.358 0.482 13.732 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.168 -1.748 14.626 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -11.953 -1.665 15.886 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.579 0.621 14.525 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -12.777 -1.083 17.946 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -16.184 1.861 15.988 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -14.378 0.161 19.409 1.00 1.00 H new ATOM 0 HZ PHE A 36 -16.063 1.618 18.412 1.00 1.00 H new ATOM 517 N ASP A 37 -10.769 1.994 14.842 1.00 1.00 N ATOM 518 CA ASP A 37 -9.982 2.961 15.588 1.00 1.00 C ATOM 519 C ASP A 37 -10.908 3.777 16.493 1.00 1.00 C ATOM 520 O ASP A 37 -10.759 3.761 17.714 1.00 1.00 O ATOM 521 CB ASP A 37 -9.266 3.932 14.647 1.00 1.00 C ATOM 522 CG ASP A 37 -8.990 5.317 15.235 1.00 1.00 C ATOM 523 OD1 ASP A 37 -9.967 6.085 15.360 1.00 1.00 O ATOM 524 OD2 ASP A 37 -7.807 5.575 15.546 1.00 1.00 O ATOM 0 H ASP A 37 -11.205 2.361 13.996 1.00 1.00 H new ATOM 0 HA ASP A 37 -9.243 2.414 16.173 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -8.318 3.487 14.343 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -9.867 4.050 13.745 1.00 1.00 H new ATOM 529 N SER A 38 -11.843 4.470 15.859 1.00 1.00 N ATOM 530 CA SER A 38 -12.792 5.289 16.593 1.00 1.00 C ATOM 531 C SER A 38 -12.072 6.477 17.234 1.00 1.00 C ATOM 532 O SER A 38 -12.637 7.564 17.346 1.00 1.00 O ATOM 533 CB SER A 38 -13.519 4.470 17.660 1.00 1.00 C ATOM 534 OG SER A 38 -13.002 3.145 17.760 1.00 1.00 O ATOM 0 H SER A 38 -11.963 4.481 14.846 1.00 1.00 H new ATOM 0 HA SER A 38 -13.538 5.660 15.890 1.00 1.00 H new ATOM 0 HB2 SER A 38 -13.427 4.969 18.625 1.00 1.00 H new ATOM 0 HB3 SER A 38 -14.582 4.428 17.423 1.00 1.00 H new ATOM 0 HG SER A 38 -12.178 3.155 18.290 1.00 1.00 H new ATOM 540 N GLN A 39 -10.834 6.230 17.638 1.00 1.00 N ATOM 541 CA GLN A 39 -10.031 7.267 18.265 1.00 1.00 C ATOM 542 C GLN A 39 -10.076 8.549 17.433 1.00 1.00 C ATOM 543 O GLN A 39 -9.683 9.614 17.906 1.00 1.00 O ATOM 544 CB GLN A 39 -8.590 6.794 18.469 1.00 1.00 C ATOM 545 CG GLN A 39 -8.480 5.883 19.693 1.00 1.00 C ATOM 546 CD GLN A 39 -7.143 6.087 20.410 1.00 1.00 C ATOM 547 OE1 GLN A 39 -6.078 6.037 19.817 1.00 1.00 O ATOM 548 NE2 GLN A 39 -7.259 6.317 21.714 1.00 1.00 N ATOM 0 H GLN A 39 -10.368 5.328 17.543 1.00 1.00 H new ATOM 0 HA GLN A 39 -10.451 7.482 19.248 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -8.250 6.260 17.582 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -7.935 7.656 18.593 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -9.301 6.090 20.380 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -8.577 4.842 19.386 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -8.182 6.346 22.147 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -6.425 6.465 22.282 1.00 1.00 H new ATOM 557 N VAL A 40 -10.556 8.404 16.206 1.00 1.00 N ATOM 558 CA VAL A 40 -10.657 9.538 15.304 1.00 1.00 C ATOM 559 C VAL A 40 -12.127 9.929 15.144 1.00 1.00 C ATOM 560 O VAL A 40 -12.857 9.310 14.371 1.00 1.00 O ATOM 561 CB VAL A 40 -9.978 9.210 13.973 1.00 1.00 C ATOM 562 CG1 VAL A 40 -10.151 10.354 12.972 1.00 1.00 C ATOM 563 CG2 VAL A 40 -8.498 8.881 14.180 1.00 1.00 C ATOM 0 H VAL A 40 -10.879 7.519 15.816 1.00 1.00 H new ATOM 0 HA VAL A 40 -10.135 10.401 15.717 1.00 1.00 H new ATOM 0 HB VAL A 40 -10.463 8.327 13.558 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -9.659 10.095 12.035 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -11.213 10.521 12.790 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -9.705 11.262 13.377 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -8.038 8.651 13.219 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -7.994 9.737 14.628 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -8.406 8.019 14.841 1.00 1.00 H new ATOM 573 N PRO A 41 -12.530 10.981 15.906 1.00 1.00 N ATOM 574 CA PRO A 41 -13.899 11.461 15.856 1.00 1.00 C ATOM 575 C PRO A 41 -14.158 12.249 14.570 1.00 1.00 C ATOM 576 O PRO A 41 -13.349 13.089 14.180 1.00 1.00 O ATOM 577 CB PRO A 41 -14.067 12.301 17.111 1.00 1.00 C ATOM 578 CG PRO A 41 -12.662 12.642 17.577 1.00 1.00 C ATOM 579 CD PRO A 41 -11.693 11.739 16.832 1.00 1.00 C ATOM 0 HA PRO A 41 -14.628 10.651 15.834 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -14.639 13.205 16.902 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -14.610 11.751 17.879 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -12.437 13.690 17.378 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -12.570 12.495 18.653 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -10.940 12.320 16.300 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.161 11.078 17.517 1.00 1.00 H new ATOM 587 N GLY A 42 -15.289 11.950 13.948 1.00 1.00 N ATOM 588 CA GLY A 42 -15.664 12.620 12.715 1.00 1.00 C ATOM 589 C GLY A 42 -15.476 11.696 11.510 1.00 1.00 C ATOM 590 O GLY A 42 -16.263 11.734 10.565 1.00 1.00 O ATOM 0 H GLY A 42 -15.958 11.253 14.275 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -16.704 12.941 12.773 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -15.060 13.518 12.587 1.00 1.00 H new ATOM 594 N VAL A 43 -14.430 10.888 11.582 1.00 1.00 N ATOM 595 CA VAL A 43 -14.128 9.956 10.510 1.00 1.00 C ATOM 596 C VAL A 43 -14.778 8.605 10.815 1.00 1.00 C ATOM 597 O VAL A 43 -15.431 8.445 11.846 1.00 1.00 O ATOM 598 CB VAL A 43 -12.613 9.858 10.311 1.00 1.00 C ATOM 599 CG1 VAL A 43 -11.937 11.202 10.590 1.00 1.00 C ATOM 600 CG2 VAL A 43 -12.017 8.751 11.182 1.00 1.00 C ATOM 0 H VAL A 43 -13.780 10.859 12.367 1.00 1.00 H new ATOM 0 HA VAL A 43 -14.544 10.312 9.568 1.00 1.00 H new ATOM 0 HB VAL A 43 -12.426 9.600 9.269 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -10.861 11.106 10.442 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -12.331 11.956 9.909 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -12.136 11.503 11.619 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -10.940 8.702 11.022 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -12.219 8.966 12.232 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -12.467 7.795 10.914 1.00 1.00 H new ATOM 610 N PRO A 44 -14.573 7.642 9.877 1.00 1.00 N ATOM 611 CA PRO A 44 -15.132 6.310 10.035 1.00 1.00 C ATOM 612 C PRO A 44 -14.352 5.509 11.078 1.00 1.00 C ATOM 613 O PRO A 44 -13.154 5.276 10.919 1.00 1.00 O ATOM 614 CB PRO A 44 -15.077 5.692 8.648 1.00 1.00 C ATOM 615 CG PRO A 44 -14.069 6.518 7.864 1.00 1.00 C ATOM 616 CD PRO A 44 -13.806 7.796 8.644 1.00 1.00 C ATOM 0 HA PRO A 44 -16.156 6.325 10.408 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -14.771 4.647 8.698 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -16.057 5.715 8.171 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -13.144 5.959 7.724 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -14.455 6.749 6.871 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -12.743 7.922 8.852 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -14.128 8.675 8.085 1.00 1.00 H new ATOM 624 N TRP A 45 -15.060 5.108 12.123 1.00 1.00 N ATOM 625 CA TRP A 45 -14.449 4.337 13.192 1.00 1.00 C ATOM 626 C TRP A 45 -14.186 2.924 12.666 1.00 1.00 C ATOM 627 O TRP A 45 -13.074 2.413 12.778 1.00 1.00 O ATOM 628 CB TRP A 45 -15.321 4.354 14.449 1.00 1.00 C ATOM 629 CG TRP A 45 -15.557 5.752 15.023 1.00 1.00 C ATOM 630 CD1 TRP A 45 -15.112 6.925 14.550 1.00 1.00 C ATOM 631 CD2 TRP A 45 -16.319 6.080 16.205 1.00 1.00 C ATOM 632 NE1 TRP A 45 -15.529 7.979 15.337 1.00 1.00 N ATOM 633 CE2 TRP A 45 -16.286 7.448 16.376 1.00 1.00 C ATOM 634 CE3 TRP A 45 -17.011 5.246 17.101 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -16.927 8.104 17.434 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -17.647 5.916 18.152 1.00 1.00 C ATOM 637 CH2 TRP A 45 -17.623 7.294 18.338 1.00 1.00 C ATOM 0 H TRP A 45 -16.053 5.303 12.252 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.499 4.780 13.491 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -16.284 3.900 14.217 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -14.852 3.733 15.213 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -14.503 7.032 13.664 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -15.320 8.966 15.185 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.049 4.173 16.987 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -16.886 9.177 17.546 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -18.195 5.322 18.869 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -18.139 7.737 19.177 1.00 1.00 H new ATOM 648 N CYS A 46 -15.231 2.333 12.104 1.00 1.00 N ATOM 649 CA CYS A 46 -15.127 0.990 11.560 1.00 1.00 C ATOM 650 C CYS A 46 -14.793 1.098 10.071 1.00 1.00 C ATOM 651 O CYS A 46 -15.660 1.416 9.258 1.00 1.00 O ATOM 652 CB CYS A 46 -16.404 0.182 11.801 1.00 1.00 C ATOM 653 SG CYS A 46 -16.430 -0.765 13.367 1.00 1.00 S ATOM 0 H CYS A 46 -16.153 2.760 12.014 1.00 1.00 H new ATOM 0 HA CYS A 46 -14.331 0.449 12.071 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -17.255 0.863 11.790 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -16.540 -0.512 10.971 1.00 1.00 H new ATOM 658 N PHE A 47 -13.534 0.829 9.758 1.00 1.00 N ATOM 659 CA PHE A 47 -13.074 0.893 8.382 1.00 1.00 C ATOM 660 C PHE A 47 -12.224 -0.330 8.031 1.00 1.00 C ATOM 661 O PHE A 47 -12.216 -1.316 8.765 1.00 1.00 O ATOM 662 CB PHE A 47 -12.214 2.152 8.255 1.00 1.00 C ATOM 663 CG PHE A 47 -11.283 2.391 9.446 1.00 1.00 C ATOM 664 CD1 PHE A 47 -11.778 2.911 10.601 1.00 1.00 C ATOM 665 CD2 PHE A 47 -9.962 2.085 9.349 1.00 1.00 C ATOM 666 CE1 PHE A 47 -10.916 3.135 11.706 1.00 1.00 C ATOM 667 CE2 PHE A 47 -9.098 2.309 10.455 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.593 2.828 11.610 1.00 1.00 C ATOM 0 H PHE A 47 -12.818 0.566 10.435 1.00 1.00 H new ATOM 0 HA PHE A 47 -13.928 0.915 7.705 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -11.615 2.081 7.347 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -12.868 3.016 8.139 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -12.828 3.154 10.677 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -9.569 1.672 8.432 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -11.309 3.549 12.623 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -8.048 2.067 10.378 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.937 2.997 12.451 1.00 1.00 H new ATOM 678 N LYS A 48 -11.529 -0.225 6.907 1.00 1.00 N ATOM 679 CA LYS A 48 -10.677 -1.309 6.449 1.00 1.00 C ATOM 680 C LYS A 48 -9.279 -1.141 7.047 1.00 1.00 C ATOM 681 O LYS A 48 -8.919 -0.054 7.499 1.00 1.00 O ATOM 682 CB LYS A 48 -10.688 -1.390 4.922 1.00 1.00 C ATOM 683 CG LYS A 48 -11.640 -0.353 4.324 1.00 1.00 C ATOM 684 CD LYS A 48 -13.039 -0.478 4.933 1.00 1.00 C ATOM 685 CE LYS A 48 -14.086 -0.750 3.851 1.00 1.00 C ATOM 686 NZ LYS A 48 -13.967 -2.138 3.352 1.00 1.00 N ATOM 0 H LYS A 48 -11.539 0.595 6.300 1.00 1.00 H new ATOM 0 HA LYS A 48 -11.059 -2.268 6.798 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -9.681 -1.228 4.539 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -10.991 -2.389 4.610 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -11.250 0.649 4.502 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -11.696 -0.486 3.244 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -13.050 -1.285 5.666 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -13.291 0.439 5.465 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -15.085 -0.587 4.254 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -13.956 -0.049 3.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -14.685 -2.306 2.618 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -13.019 -2.282 2.949 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -14.113 -2.803 4.138 1.00 1.00 H new ATOM 700 N PRO A 49 -8.509 -2.261 7.031 1.00 1.00 N ATOM 701 CA PRO A 49 -7.158 -2.249 7.566 1.00 1.00 C ATOM 702 C PRO A 49 -6.198 -1.532 6.613 1.00 1.00 C ATOM 703 O PRO A 49 -6.489 -1.384 5.428 1.00 1.00 O ATOM 704 CB PRO A 49 -6.803 -3.711 7.776 1.00 1.00 C ATOM 705 CG PRO A 49 -7.781 -4.504 6.923 1.00 1.00 C ATOM 706 CD PRO A 49 -8.901 -3.566 6.505 1.00 1.00 C ATOM 0 HA PRO A 49 -7.082 -1.697 8.503 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -5.774 -3.910 7.477 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.889 -3.987 8.827 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -7.279 -4.913 6.046 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -8.180 -5.349 7.485 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -9.011 -3.539 5.421 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -9.859 -3.886 6.914 1.00 1.00 H new ATOM 714 N LEU A 50 -5.073 -1.106 7.168 1.00 1.00 N ATOM 715 CA LEU A 50 -4.068 -0.409 6.383 1.00 1.00 C ATOM 716 C LEU A 50 -2.745 -1.174 6.461 1.00 1.00 C ATOM 717 O LEU A 50 -1.780 -0.693 7.053 1.00 1.00 O ATOM 718 CB LEU A 50 -3.961 1.051 6.825 1.00 1.00 C ATOM 719 CG LEU A 50 -2.591 1.709 6.644 1.00 1.00 C ATOM 720 CD1 LEU A 50 -2.735 3.138 6.116 1.00 1.00 C ATOM 721 CD2 LEU A 50 -1.780 1.655 7.940 1.00 1.00 C ATOM 0 H LEU A 50 -4.835 -1.230 8.152 1.00 1.00 H new ATOM 0 HA LEU A 50 -4.358 -0.379 5.333 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.697 1.633 6.270 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.235 1.112 7.878 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.037 1.143 5.895 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -1.747 3.583 5.996 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -3.244 3.120 5.152 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -3.316 3.730 6.823 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -0.811 2.129 7.783 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.318 2.181 8.728 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.632 0.616 8.233 1.00 1.00 H new ATOM 733 N PRO A 51 -2.742 -2.382 5.838 1.00 1.00 N ATOM 734 CA PRO A 51 -1.554 -3.219 5.831 1.00 1.00 C ATOM 735 C PRO A 51 -0.507 -2.675 4.857 1.00 1.00 C ATOM 736 O PRO A 51 -0.768 -1.717 4.130 1.00 1.00 O ATOM 737 CB PRO A 51 -2.051 -4.606 5.457 1.00 1.00 C ATOM 738 CG PRO A 51 -3.414 -4.402 4.818 1.00 1.00 C ATOM 739 CD PRO A 51 -3.867 -2.984 5.126 1.00 1.00 C ATOM 0 HA PRO A 51 -1.048 -3.240 6.796 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -1.364 -5.093 4.765 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -2.124 -5.245 6.337 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -3.358 -4.559 3.741 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -4.130 -5.125 5.208 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -4.098 -2.435 4.213 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -4.770 -2.980 5.737 1.00 1.00 H new ATOM 747 N ALA A 52 0.655 -3.311 4.871 1.00 1.00 N ATOM 748 CA ALA A 52 1.743 -2.903 3.998 1.00 1.00 C ATOM 749 C ALA A 52 2.984 -3.740 4.312 1.00 1.00 C ATOM 750 O ALA A 52 4.102 -3.227 4.298 1.00 1.00 O ATOM 751 CB ALA A 52 1.993 -1.403 4.161 1.00 1.00 C ATOM 0 H ALA A 52 0.867 -4.106 5.473 1.00 1.00 H new ATOM 0 HA ALA A 52 1.484 -3.078 2.954 1.00 1.00 H new ATOM 0 HB1 ALA A 52 2.809 -1.097 3.506 1.00 1.00 H new ATOM 0 HB2 ALA A 52 1.090 -0.853 3.897 1.00 1.00 H new ATOM 0 HB3 ALA A 52 2.259 -1.189 5.196 1.00 1.00 H new ATOM 757 N GLN A 53 2.746 -5.014 4.586 1.00 1.00 N ATOM 758 CA GLN A 53 3.831 -5.926 4.904 1.00 1.00 C ATOM 759 C GLN A 53 3.300 -7.134 5.679 1.00 1.00 C ATOM 760 O GLN A 53 2.334 -7.016 6.432 1.00 1.00 O ATOM 761 CB GLN A 53 4.936 -5.214 5.687 1.00 1.00 C ATOM 762 CG GLN A 53 6.040 -4.717 4.751 1.00 1.00 C ATOM 763 CD GLN A 53 7.368 -5.417 5.050 1.00 1.00 C ATOM 764 OE1 GLN A 53 7.879 -5.119 6.240 1.00 1.00 O flip ATOM 765 NE2 GLN A 53 7.892 -6.175 4.251 1.00 1.00 N flip ATOM 0 H GLN A 53 1.818 -5.436 4.594 1.00 1.00 H new ATOM 0 HA GLN A 53 4.266 -6.281 3.970 1.00 1.00 H new ATOM 0 HB2 GLN A 53 4.513 -4.372 6.235 1.00 1.00 H new ATOM 0 HB3 GLN A 53 5.360 -5.895 6.425 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.753 -4.900 3.715 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.159 -3.639 4.863 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.444 -6.359 3.353 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.778 -6.625 4.480 1.00 1.00 H new ATOM 774 N GLU A 54 3.955 -8.267 5.469 1.00 1.00 N ATOM 775 CA GLU A 54 3.562 -9.494 6.139 1.00 1.00 C ATOM 776 C GLU A 54 4.130 -9.530 7.559 1.00 1.00 C ATOM 777 O GLU A 54 3.958 -10.513 8.276 1.00 1.00 O ATOM 778 CB GLU A 54 4.004 -10.721 5.340 1.00 1.00 C ATOM 779 CG GLU A 54 5.450 -10.573 4.863 1.00 1.00 C ATOM 780 CD GLU A 54 5.502 -10.152 3.392 1.00 1.00 C ATOM 781 OE1 GLU A 54 5.348 -11.053 2.539 1.00 1.00 O ATOM 782 OE2 GLU A 54 5.693 -8.940 3.155 1.00 1.00 O ATOM 0 H GLU A 54 4.756 -8.360 4.844 1.00 1.00 H new ATOM 0 HA GLU A 54 2.474 -9.516 6.204 1.00 1.00 H new ATOM 0 HB2 GLU A 54 3.911 -11.614 5.957 1.00 1.00 H new ATOM 0 HB3 GLU A 54 3.346 -10.857 4.482 1.00 1.00 H new ATOM 0 HG2 GLU A 54 5.965 -9.833 5.475 1.00 1.00 H new ATOM 0 HG3 GLU A 54 5.978 -11.517 4.994 1.00 1.00 H new ATOM 789 N SER A 55 4.798 -8.444 7.922 1.00 1.00 N ATOM 790 CA SER A 55 5.394 -8.339 9.243 1.00 1.00 C ATOM 791 C SER A 55 4.297 -8.228 10.305 1.00 1.00 C ATOM 792 O SER A 55 4.278 -8.994 11.267 1.00 1.00 O ATOM 793 CB SER A 55 6.338 -7.138 9.328 1.00 1.00 C ATOM 794 OG SER A 55 7.511 -7.327 8.542 1.00 1.00 O ATOM 0 H SER A 55 4.939 -7.630 7.324 1.00 1.00 H new ATOM 0 HA SER A 55 5.979 -9.240 9.426 1.00 1.00 H new ATOM 0 HB2 SER A 55 5.816 -6.242 8.992 1.00 1.00 H new ATOM 0 HB3 SER A 55 6.621 -6.971 10.367 1.00 1.00 H new ATOM 0 HG SER A 55 7.556 -6.635 7.850 1.00 1.00 H new ATOM 800 N GLU A 56 3.409 -7.266 10.093 1.00 1.00 N ATOM 801 CA GLU A 56 2.313 -7.044 11.020 1.00 1.00 C ATOM 802 C GLU A 56 2.751 -6.108 12.148 1.00 1.00 C ATOM 803 O GLU A 56 2.068 -5.992 13.164 1.00 1.00 O ATOM 804 CB GLU A 56 1.790 -8.369 11.579 1.00 1.00 C ATOM 805 CG GLU A 56 0.262 -8.371 11.648 1.00 1.00 C ATOM 806 CD GLU A 56 -0.279 -9.796 11.788 1.00 1.00 C ATOM 807 OE1 GLU A 56 0.247 -10.519 12.661 1.00 1.00 O ATOM 808 OE2 GLU A 56 -1.207 -10.129 11.019 1.00 1.00 O ATOM 0 H GLU A 56 3.427 -6.633 9.294 1.00 1.00 H new ATOM 0 HA GLU A 56 1.496 -6.569 10.477 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.130 -9.192 10.951 1.00 1.00 H new ATOM 0 HB3 GLU A 56 2.203 -8.536 12.574 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -0.068 -7.768 12.494 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -0.147 -7.910 10.749 1.00 1.00 H new ATOM 815 N GLU A 57 3.887 -5.463 11.930 1.00 1.00 N ATOM 816 CA GLU A 57 4.425 -4.541 12.915 1.00 1.00 C ATOM 817 C GLU A 57 5.164 -3.394 12.222 1.00 1.00 C ATOM 818 O GLU A 57 5.341 -2.324 12.801 1.00 1.00 O ATOM 819 CB GLU A 57 5.342 -5.266 13.903 1.00 1.00 C ATOM 820 CG GLU A 57 5.042 -6.766 13.928 1.00 1.00 C ATOM 821 CD GLU A 57 5.847 -7.467 15.025 1.00 1.00 C ATOM 822 OE1 GLU A 57 5.936 -6.881 16.126 1.00 1.00 O ATOM 823 OE2 GLU A 57 6.354 -8.573 14.738 1.00 1.00 O ATOM 0 H GLU A 57 4.450 -5.561 11.085 1.00 1.00 H new ATOM 0 HA GLU A 57 3.594 -4.122 13.482 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.383 -5.104 13.625 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.210 -4.848 14.901 1.00 1.00 H new ATOM 0 HG2 GLU A 57 3.977 -6.925 14.096 1.00 1.00 H new ATOM 0 HG3 GLU A 57 5.281 -7.205 12.959 1.00 1.00 H new ATOM 830 N CYS A 58 5.576 -3.658 10.990 1.00 1.00 N ATOM 831 CA CYS A 58 6.291 -2.662 10.211 1.00 1.00 C ATOM 832 C CYS A 58 5.266 -1.729 9.564 1.00 1.00 C ATOM 833 O CYS A 58 5.631 -0.812 8.832 1.00 1.00 O ATOM 834 CB CYS A 58 7.210 -3.309 9.172 1.00 1.00 C ATOM 835 SG CYS A 58 8.585 -4.294 9.871 1.00 1.00 S ATOM 0 H CYS A 58 5.428 -4.547 10.513 1.00 1.00 H new ATOM 0 HA CYS A 58 6.942 -2.084 10.867 1.00 1.00 H new ATOM 0 HB2 CYS A 58 6.611 -3.953 8.528 1.00 1.00 H new ATOM 0 HB3 CYS A 58 7.628 -2.526 8.539 1.00 1.00 H new ATOM 840 N VAL A 59 4.001 -1.999 9.857 1.00 1.00 N ATOM 841 CA VAL A 59 2.920 -1.196 9.312 1.00 1.00 C ATOM 842 C VAL A 59 3.018 0.228 9.865 1.00 1.00 C ATOM 843 O VAL A 59 3.027 0.427 11.080 1.00 1.00 O ATOM 844 CB VAL A 59 1.574 -1.860 9.609 1.00 1.00 C ATOM 845 CG1 VAL A 59 0.533 -1.484 8.553 1.00 1.00 C ATOM 846 CG2 VAL A 59 1.724 -3.379 9.715 1.00 1.00 C ATOM 0 H VAL A 59 3.702 -2.762 10.464 1.00 1.00 H new ATOM 0 HA VAL A 59 3.003 -1.130 8.227 1.00 1.00 H new ATOM 0 HB VAL A 59 1.223 -1.490 10.572 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -0.415 -1.969 8.787 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.395 -0.403 8.547 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.875 -1.812 7.572 1.00 1.00 H new ATOM 0 HG21 VAL A 59 0.753 -3.827 9.927 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.108 -3.773 8.774 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.418 -3.621 10.520 1.00 1.00 H new ATOM 856 N MET A 60 3.091 1.181 8.949 1.00 1.00 N ATOM 857 CA MET A 60 3.189 2.580 9.330 1.00 1.00 C ATOM 858 C MET A 60 2.949 3.494 8.127 1.00 1.00 C ATOM 859 O MET A 60 3.233 3.118 6.991 1.00 1.00 O ATOM 860 CB MET A 60 4.575 2.855 9.913 1.00 1.00 C ATOM 861 CG MET A 60 4.578 2.675 11.432 1.00 1.00 C ATOM 862 SD MET A 60 5.536 1.236 11.876 1.00 1.00 S ATOM 863 CE MET A 60 7.041 1.578 10.981 1.00 1.00 C ATOM 0 H MET A 60 3.084 1.013 7.943 1.00 1.00 H new ATOM 0 HA MET A 60 2.424 2.788 10.078 1.00 1.00 H new ATOM 0 HB2 MET A 60 5.303 2.181 9.462 1.00 1.00 H new ATOM 0 HB3 MET A 60 4.883 3.870 9.663 1.00 1.00 H new ATOM 0 HG2 MET A 60 4.995 3.561 11.910 1.00 1.00 H new ATOM 0 HG3 MET A 60 3.556 2.568 11.796 1.00 1.00 H new ATOM 0 HE1 MET A 60 7.814 0.872 11.285 1.00 1.00 H new ATOM 0 HE2 MET A 60 6.859 1.478 9.911 1.00 1.00 H new ATOM 0 HE3 MET A 60 7.371 2.594 11.199 1.00 1.00 H new ATOM 873 N GLN A 61 2.430 4.678 8.416 1.00 1.00 N ATOM 874 CA GLN A 61 2.151 5.649 7.372 1.00 1.00 C ATOM 875 C GLN A 61 3.453 6.257 6.851 1.00 1.00 C ATOM 876 O GLN A 61 4.481 6.204 7.524 1.00 1.00 O ATOM 877 CB GLN A 61 1.200 6.736 7.875 1.00 1.00 C ATOM 878 CG GLN A 61 -0.260 6.314 7.699 1.00 1.00 C ATOM 879 CD GLN A 61 -1.200 7.256 8.455 1.00 1.00 C ATOM 880 OE1 GLN A 61 -2.420 7.337 7.933 1.00 1.00 O flip ATOM 881 NE2 GLN A 61 -0.840 7.868 9.447 1.00 1.00 N flip ATOM 0 H GLN A 61 2.195 4.987 9.359 1.00 1.00 H new ATOM 0 HA GLN A 61 1.658 5.135 6.547 1.00 1.00 H new ATOM 0 HB2 GLN A 61 1.399 6.939 8.927 1.00 1.00 H new ATOM 0 HB3 GLN A 61 1.382 7.663 7.331 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.516 6.312 6.640 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -0.393 5.294 8.061 1.00 1.00 H new ATOM 0 HE21 GLN A 61 0.113 7.760 9.795 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -1.492 8.488 9.928 1.00 1.00 H new ATOM 890 N VAL A 62 3.368 6.824 5.656 1.00 1.00 N ATOM 891 CA VAL A 62 4.528 7.442 5.036 1.00 1.00 C ATOM 892 C VAL A 62 5.173 8.413 6.028 1.00 1.00 C ATOM 893 O VAL A 62 6.390 8.403 6.208 1.00 1.00 O ATOM 894 CB VAL A 62 4.123 8.112 3.721 1.00 1.00 C ATOM 895 CG1 VAL A 62 3.528 7.093 2.747 1.00 1.00 C ATOM 896 CG2 VAL A 62 3.151 9.267 3.970 1.00 1.00 C ATOM 0 H VAL A 62 2.514 6.868 5.101 1.00 1.00 H new ATOM 0 HA VAL A 62 5.275 6.689 4.785 1.00 1.00 H new ATOM 0 HB VAL A 62 5.022 8.525 3.265 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.249 7.595 1.821 1.00 1.00 H new ATOM 0 HG12 VAL A 62 4.266 6.321 2.532 1.00 1.00 H new ATOM 0 HG13 VAL A 62 2.644 6.636 3.193 1.00 1.00 H new ATOM 0 HG21 VAL A 62 2.879 9.725 3.019 1.00 1.00 H new ATOM 0 HG22 VAL A 62 2.254 8.888 4.460 1.00 1.00 H new ATOM 0 HG23 VAL A 62 3.626 10.011 4.609 1.00 1.00 H new ATOM 906 N SER A 63 4.330 9.228 6.643 1.00 1.00 N ATOM 907 CA SER A 63 4.803 10.202 7.611 1.00 1.00 C ATOM 908 C SER A 63 5.276 9.491 8.881 1.00 1.00 C ATOM 909 O SER A 63 6.081 10.033 9.638 1.00 1.00 O ATOM 910 CB SER A 63 3.712 11.219 7.947 1.00 1.00 C ATOM 911 OG SER A 63 3.916 11.820 9.224 1.00 1.00 O ATOM 0 H SER A 63 3.322 9.234 6.490 1.00 1.00 H new ATOM 0 HA SER A 63 5.642 10.742 7.171 1.00 1.00 H new ATOM 0 HB2 SER A 63 3.691 11.994 7.181 1.00 1.00 H new ATOM 0 HB3 SER A 63 2.740 10.727 7.929 1.00 1.00 H new ATOM 0 HG SER A 63 3.199 12.464 9.401 1.00 1.00 H new ATOM 917 N ALA A 64 4.756 8.288 9.076 1.00 1.00 N ATOM 918 CA ALA A 64 5.115 7.498 10.242 1.00 1.00 C ATOM 919 C ALA A 64 6.573 7.051 10.120 1.00 1.00 C ATOM 920 O ALA A 64 7.393 7.356 10.984 1.00 1.00 O ATOM 921 CB ALA A 64 4.151 6.315 10.372 1.00 1.00 C ATOM 0 H ALA A 64 4.089 7.841 8.447 1.00 1.00 H new ATOM 0 HA ALA A 64 5.028 8.092 11.151 1.00 1.00 H new ATOM 0 HB1 ALA A 64 4.419 5.722 11.246 1.00 1.00 H new ATOM 0 HB2 ALA A 64 3.132 6.686 10.484 1.00 1.00 H new ATOM 0 HB3 ALA A 64 4.215 5.694 9.478 1.00 1.00 H new ATOM 927 N ARG A 65 6.851 6.335 9.041 1.00 1.00 N ATOM 928 CA ARG A 65 8.196 5.843 8.795 1.00 1.00 C ATOM 929 C ARG A 65 9.209 6.984 8.918 1.00 1.00 C ATOM 930 O ARG A 65 9.312 7.826 8.027 1.00 1.00 O ATOM 931 CB ARG A 65 8.308 5.218 7.404 1.00 1.00 C ATOM 932 CG ARG A 65 7.270 4.111 7.214 1.00 1.00 C ATOM 933 CD ARG A 65 6.680 4.149 5.802 1.00 1.00 C ATOM 934 NE ARG A 65 5.654 3.092 5.655 1.00 1.00 N ATOM 935 CZ ARG A 65 4.737 3.068 4.679 1.00 1.00 C ATOM 936 NH1 ARG A 65 4.712 4.040 3.758 1.00 1.00 N ATOM 937 NH2 ARG A 65 3.845 2.070 4.623 1.00 1.00 N ATOM 0 H ARG A 65 6.168 6.084 8.327 1.00 1.00 H new ATOM 0 HA ARG A 65 8.412 5.079 9.542 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.168 5.987 6.644 1.00 1.00 H new ATOM 0 HB3 ARG A 65 9.309 4.810 7.264 1.00 1.00 H new ATOM 0 HG2 ARG A 65 7.732 3.140 7.393 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.473 4.225 7.948 1.00 1.00 H new ATOM 0 HD2 ARG A 65 6.238 5.126 5.610 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.470 4.006 5.065 1.00 1.00 H new ATOM 0 HE ARG A 65 5.645 2.335 6.339 1.00 1.00 H new ATOM 0 HH11 ARG A 65 5.392 4.799 3.799 1.00 1.00 H new ATOM 0 HH12 ARG A 65 4.013 4.021 3.015 1.00 1.00 H new ATOM 0 HH21 ARG A 65 3.864 1.329 5.323 1.00 1.00 H new ATOM 0 HH22 ARG A 65 3.147 2.051 3.880 1.00 1.00 H new ATOM 951 N LYS A 66 9.931 6.975 10.030 1.00 1.00 N ATOM 952 CA LYS A 66 10.931 7.998 10.281 1.00 1.00 C ATOM 953 C LYS A 66 11.947 8.003 9.136 1.00 1.00 C ATOM 954 O LYS A 66 11.767 8.710 8.145 1.00 1.00 O ATOM 955 CB LYS A 66 11.561 7.804 11.660 1.00 1.00 C ATOM 956 CG LYS A 66 11.803 6.321 11.950 1.00 1.00 C ATOM 957 CD LYS A 66 10.876 5.821 13.059 1.00 1.00 C ATOM 958 CE LYS A 66 11.554 5.922 14.428 1.00 1.00 C ATOM 959 NZ LYS A 66 10.542 6.086 15.496 1.00 1.00 N ATOM 0 H LYS A 66 9.843 6.275 10.767 1.00 1.00 H new ATOM 0 HA LYS A 66 10.469 8.985 10.303 1.00 1.00 H new ATOM 0 HB2 LYS A 66 12.505 8.347 11.712 1.00 1.00 H new ATOM 0 HB3 LYS A 66 10.908 8.226 12.424 1.00 1.00 H new ATOM 0 HG2 LYS A 66 11.639 5.738 11.044 1.00 1.00 H new ATOM 0 HG3 LYS A 66 12.842 6.169 12.243 1.00 1.00 H new ATOM 0 HD2 LYS A 66 9.956 6.406 13.061 1.00 1.00 H new ATOM 0 HD3 LYS A 66 10.595 4.786 12.864 1.00 1.00 H new ATOM 0 HE2 LYS A 66 12.146 5.026 14.614 1.00 1.00 H new ATOM 0 HE3 LYS A 66 12.242 6.767 14.438 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 10.718 6.974 16.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 9.592 6.113 15.073 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 10.604 5.287 16.158 1.00 1.00 H new ATOM 973 N ASN A 67 12.991 7.206 9.310 1.00 1.00 N ATOM 974 CA ASN A 67 14.034 7.111 8.304 1.00 1.00 C ATOM 975 C ASN A 67 15.203 6.297 8.865 1.00 1.00 C ATOM 976 O ASN A 67 15.950 6.780 9.714 1.00 1.00 O ATOM 977 CB ASN A 67 14.562 8.496 7.923 1.00 1.00 C ATOM 978 CG ASN A 67 15.863 8.387 7.126 1.00 1.00 C ATOM 979 OD1 ASN A 67 16.962 8.502 7.865 1.00 1.00 O flip ATOM 980 ND2 ASN A 67 15.867 8.210 5.918 1.00 1.00 N flip ATOM 0 H ASN A 67 13.137 6.620 10.132 1.00 1.00 H new ATOM 0 HA ASN A 67 13.609 6.633 7.421 1.00 1.00 H new ATOM 0 HB2 ASN A 67 13.813 9.025 7.333 1.00 1.00 H new ATOM 0 HB3 ASN A 67 14.732 9.085 8.824 1.00 1.00 H new ATOM 0 HD21 ASN A 67 14.985 8.130 5.411 1.00 1.00 H new ATOM 0 HD22 ASN A 67 16.752 8.142 5.415 1.00 1.00 H new ATOM 987 N CYS A 68 15.325 5.076 8.366 1.00 1.00 N ATOM 988 CA CYS A 68 16.391 4.191 8.806 1.00 1.00 C ATOM 989 C CYS A 68 17.168 3.724 7.573 1.00 1.00 C ATOM 990 O CYS A 68 17.148 4.385 6.536 1.00 1.00 O ATOM 991 CB CYS A 68 15.849 3.013 9.619 1.00 1.00 C ATOM 992 SG CYS A 68 16.986 2.380 10.904 1.00 1.00 S ATOM 0 H CYS A 68 14.704 4.678 7.661 1.00 1.00 H new ATOM 0 HA CYS A 68 17.062 4.731 9.474 1.00 1.00 H new ATOM 0 HB2 CYS A 68 14.917 3.317 10.096 1.00 1.00 H new ATOM 0 HB3 CYS A 68 15.606 2.199 8.936 1.00 1.00 H new ATOM 997 N GLY A 69 17.833 2.589 7.727 1.00 1.00 N ATOM 998 CA GLY A 69 18.615 2.026 6.640 1.00 1.00 C ATOM 999 C GLY A 69 19.420 3.112 5.924 1.00 1.00 C ATOM 1000 O GLY A 69 19.516 4.239 6.407 1.00 1.00 O ATOM 0 H GLY A 69 17.846 2.044 8.589 1.00 1.00 H new ATOM 0 HA2 GLY A 69 19.291 1.265 7.030 1.00 1.00 H new ATOM 0 HA3 GLY A 69 17.953 1.531 5.929 1.00 1.00 H new ATOM 1004 N TYR A 70 19.979 2.735 4.783 1.00 1.00 N ATOM 1005 CA TYR A 70 20.773 3.662 3.996 1.00 1.00 C ATOM 1006 C TYR A 70 20.334 3.652 2.530 1.00 1.00 C ATOM 1007 O TYR A 70 19.627 2.745 2.097 1.00 1.00 O ATOM 1008 CB TYR A 70 22.217 3.165 4.087 1.00 1.00 C ATOM 1009 CG TYR A 70 22.444 1.793 3.446 1.00 1.00 C ATOM 1010 CD1 TYR A 70 22.658 1.695 2.086 1.00 1.00 C ATOM 1011 CD2 TYR A 70 22.435 0.656 4.228 1.00 1.00 C ATOM 1012 CE1 TYR A 70 22.872 0.405 1.483 1.00 1.00 C ATOM 1013 CE2 TYR A 70 22.649 -0.634 3.625 1.00 1.00 C ATOM 1014 CZ TYR A 70 22.857 -0.696 2.283 1.00 1.00 C ATOM 1015 OH TYR A 70 23.059 -1.914 1.713 1.00 1.00 O ATOM 0 H TYR A 70 19.897 1.799 4.385 1.00 1.00 H new ATOM 0 HA TYR A 70 20.657 4.679 4.370 1.00 1.00 H new ATOM 0 HB2 TYR A 70 22.872 3.892 3.607 1.00 1.00 H new ATOM 0 HB3 TYR A 70 22.509 3.117 5.136 1.00 1.00 H new ATOM 0 HD1 TYR A 70 22.665 2.585 1.475 1.00 1.00 H new ATOM 0 HD2 TYR A 70 22.267 0.734 5.292 1.00 1.00 H new ATOM 0 HE1 TYR A 70 23.041 0.313 0.420 1.00 1.00 H new ATOM 0 HE2 TYR A 70 22.644 -1.532 4.225 1.00 1.00 H new ATOM 0 HH TYR A 70 23.261 -2.572 2.411 1.00 1.00 H new ATOM 1025 N PRO A 71 20.784 4.700 1.789 1.00 1.00 N ATOM 1026 CA PRO A 71 20.445 4.820 0.380 1.00 1.00 C ATOM 1027 C PRO A 71 21.252 3.831 -0.464 1.00 1.00 C ATOM 1028 O PRO A 71 22.314 4.173 -0.982 1.00 1.00 O ATOM 1029 CB PRO A 71 20.731 6.271 0.030 1.00 1.00 C ATOM 1030 CG PRO A 71 21.652 6.791 1.122 1.00 1.00 C ATOM 1031 CD PRO A 71 21.624 5.793 2.269 1.00 1.00 C ATOM 0 HA PRO A 71 19.404 4.572 0.175 1.00 1.00 H new ATOM 0 HB2 PRO A 71 21.203 6.351 -0.949 1.00 1.00 H new ATOM 0 HB3 PRO A 71 19.809 6.851 -0.012 1.00 1.00 H new ATOM 0 HG2 PRO A 71 22.667 6.908 0.742 1.00 1.00 H new ATOM 0 HG3 PRO A 71 21.324 7.773 1.462 1.00 1.00 H new ATOM 0 HD2 PRO A 71 22.627 5.443 2.514 1.00 1.00 H new ATOM 0 HD3 PRO A 71 21.213 6.241 3.174 1.00 1.00 H new ATOM 1039 N GLY A 72 20.717 2.624 -0.576 1.00 1.00 N ATOM 1040 CA GLY A 72 21.373 1.584 -1.349 1.00 1.00 C ATOM 1041 C GLY A 72 20.964 0.194 -0.856 1.00 1.00 C ATOM 1042 O GLY A 72 21.082 -0.788 -1.587 1.00 1.00 O ATOM 0 H GLY A 72 19.837 2.343 -0.144 1.00 1.00 H new ATOM 0 HA2 GLY A 72 21.114 1.691 -2.402 1.00 1.00 H new ATOM 0 HA3 GLY A 72 22.454 1.697 -1.273 1.00 1.00 H new ATOM 1046 N ILE A 73 20.492 0.156 0.381 1.00 1.00 N ATOM 1047 CA ILE A 73 20.065 -1.097 0.981 1.00 1.00 C ATOM 1048 C ILE A 73 18.864 -1.644 0.207 1.00 1.00 C ATOM 1049 O ILE A 73 18.227 -0.917 -0.554 1.00 1.00 O ATOM 1050 CB ILE A 73 19.802 -0.913 2.477 1.00 1.00 C ATOM 1051 CG1 ILE A 73 20.134 -2.188 3.253 1.00 1.00 C ATOM 1052 CG2 ILE A 73 18.365 -0.447 2.727 1.00 1.00 C ATOM 1053 CD1 ILE A 73 19.766 -2.042 4.731 1.00 1.00 C ATOM 0 H ILE A 73 20.396 0.973 0.985 1.00 1.00 H new ATOM 0 HA ILE A 73 20.857 -1.843 0.911 1.00 1.00 H new ATOM 0 HB ILE A 73 20.464 -0.130 2.847 1.00 1.00 H new ATOM 0 HG12 ILE A 73 19.594 -3.031 2.822 1.00 1.00 H new ATOM 0 HG13 ILE A 73 21.197 -2.408 3.159 1.00 1.00 H new ATOM 0 HG21 ILE A 73 18.204 -0.324 3.798 1.00 1.00 H new ATOM 0 HG22 ILE A 73 18.198 0.505 2.223 1.00 1.00 H new ATOM 0 HG23 ILE A 73 17.669 -1.190 2.338 1.00 1.00 H new ATOM 0 HD11 ILE A 73 20.012 -2.963 5.260 1.00 1.00 H new ATOM 0 HD12 ILE A 73 20.325 -1.213 5.165 1.00 1.00 H new ATOM 0 HD13 ILE A 73 18.698 -1.846 4.822 1.00 1.00 H new ATOM 1065 N SER A 74 18.590 -2.922 0.429 1.00 1.00 N ATOM 1066 CA SER A 74 17.476 -3.574 -0.237 1.00 1.00 C ATOM 1067 C SER A 74 16.556 -4.227 0.797 1.00 1.00 C ATOM 1068 O SER A 74 16.788 -4.110 1.999 1.00 1.00 O ATOM 1069 CB SER A 74 17.971 -4.618 -1.242 1.00 1.00 C ATOM 1070 OG SER A 74 19.367 -4.493 -1.498 1.00 1.00 O ATOM 0 H SER A 74 19.120 -3.522 1.060 1.00 1.00 H new ATOM 0 HA SER A 74 16.915 -2.817 -0.785 1.00 1.00 H new ATOM 0 HB2 SER A 74 17.761 -5.617 -0.860 1.00 1.00 H new ATOM 0 HB3 SER A 74 17.420 -4.511 -2.176 1.00 1.00 H new ATOM 0 HG SER A 74 19.644 -5.177 -2.142 1.00 1.00 H new ATOM 1076 N PRO A 75 15.505 -4.917 0.278 1.00 1.00 N ATOM 1077 CA PRO A 75 14.550 -5.587 1.142 1.00 1.00 C ATOM 1078 C PRO A 75 15.147 -6.868 1.729 1.00 1.00 C ATOM 1079 O PRO A 75 16.208 -7.317 1.297 1.00 1.00 O ATOM 1080 CB PRO A 75 13.337 -5.845 0.264 1.00 1.00 C ATOM 1081 CG PRO A 75 13.829 -5.730 -1.169 1.00 1.00 C ATOM 1082 CD PRO A 75 15.200 -5.075 -1.142 1.00 1.00 C ATOM 0 HA PRO A 75 14.276 -4.987 2.010 1.00 1.00 H new ATOM 0 HB2 PRO A 75 12.919 -6.833 0.456 1.00 1.00 H new ATOM 0 HB3 PRO A 75 12.548 -5.121 0.465 1.00 1.00 H new ATOM 0 HG2 PRO A 75 13.886 -6.715 -1.633 1.00 1.00 H new ATOM 0 HG3 PRO A 75 13.135 -5.137 -1.764 1.00 1.00 H new ATOM 0 HD2 PRO A 75 15.945 -5.695 -1.641 1.00 1.00 H new ATOM 0 HD3 PRO A 75 15.190 -4.113 -1.655 1.00 1.00 H new ATOM 1090 N GLU A 76 14.438 -7.422 2.701 1.00 1.00 N ATOM 1091 CA GLU A 76 14.883 -8.643 3.350 1.00 1.00 C ATOM 1092 C GLU A 76 16.149 -8.378 4.167 1.00 1.00 C ATOM 1093 O GLU A 76 16.208 -8.708 5.351 1.00 1.00 O ATOM 1094 CB GLU A 76 15.114 -9.756 2.325 1.00 1.00 C ATOM 1095 CG GLU A 76 14.749 -11.122 2.908 1.00 1.00 C ATOM 1096 CD GLU A 76 14.167 -12.040 1.831 1.00 1.00 C ATOM 1097 OE1 GLU A 76 14.234 -11.641 0.648 1.00 1.00 O ATOM 1098 OE2 GLU A 76 13.668 -13.120 2.214 1.00 1.00 O ATOM 0 H GLU A 76 13.558 -7.047 3.055 1.00 1.00 H new ATOM 0 HA GLU A 76 14.099 -8.977 4.029 1.00 1.00 H new ATOM 0 HB2 GLU A 76 14.515 -9.565 1.434 1.00 1.00 H new ATOM 0 HB3 GLU A 76 16.158 -9.757 2.013 1.00 1.00 H new ATOM 0 HG2 GLU A 76 15.635 -11.584 3.344 1.00 1.00 H new ATOM 0 HG3 GLU A 76 14.025 -10.996 3.713 1.00 1.00 H new ATOM 1105 N ASP A 77 17.131 -7.786 3.503 1.00 1.00 N ATOM 1106 CA ASP A 77 18.392 -7.473 4.153 1.00 1.00 C ATOM 1107 C ASP A 77 18.149 -6.444 5.259 1.00 1.00 C ATOM 1108 O ASP A 77 18.434 -6.703 6.426 1.00 1.00 O ATOM 1109 CB ASP A 77 19.389 -6.873 3.159 1.00 1.00 C ATOM 1110 CG ASP A 77 19.725 -7.765 1.962 1.00 1.00 C ATOM 1111 OD1 ASP A 77 19.616 -8.999 2.125 1.00 1.00 O ATOM 1112 OD2 ASP A 77 20.083 -7.192 0.911 1.00 1.00 O ATOM 0 H ASP A 77 17.079 -7.515 2.521 1.00 1.00 H new ATOM 0 HA ASP A 77 18.801 -8.398 4.560 1.00 1.00 H new ATOM 0 HB2 ASP A 77 18.987 -5.930 2.789 1.00 1.00 H new ATOM 0 HB3 ASP A 77 20.312 -6.640 3.689 1.00 1.00 H new ATOM 1117 N CYS A 78 17.625 -5.297 4.851 1.00 1.00 N ATOM 1118 CA CYS A 78 17.341 -4.228 5.793 1.00 1.00 C ATOM 1119 C CYS A 78 16.645 -4.835 7.013 1.00 1.00 C ATOM 1120 O CYS A 78 17.107 -4.669 8.141 1.00 1.00 O ATOM 1121 CB CYS A 78 16.506 -3.118 5.152 1.00 1.00 C ATOM 1122 SG CYS A 78 16.514 -1.529 6.061 1.00 1.00 S ATOM 0 H CYS A 78 17.390 -5.085 3.881 1.00 1.00 H new ATOM 0 HA CYS A 78 18.273 -3.757 6.106 1.00 1.00 H new ATOM 0 HB2 CYS A 78 16.874 -2.944 4.141 1.00 1.00 H new ATOM 0 HB3 CYS A 78 15.476 -3.464 5.062 1.00 1.00 H new ATOM 1127 N ALA A 79 15.547 -5.525 6.745 1.00 1.00 N ATOM 1128 CA ALA A 79 14.783 -6.157 7.808 1.00 1.00 C ATOM 1129 C ALA A 79 15.655 -7.203 8.504 1.00 1.00 C ATOM 1130 O ALA A 79 15.618 -7.332 9.727 1.00 1.00 O ATOM 1131 CB ALA A 79 13.502 -6.761 7.226 1.00 1.00 C ATOM 0 H ALA A 79 15.168 -5.661 5.808 1.00 1.00 H new ATOM 0 HA ALA A 79 14.487 -5.422 8.557 1.00 1.00 H new ATOM 0 HB1 ALA A 79 12.929 -7.235 8.023 1.00 1.00 H new ATOM 0 HB2 ALA A 79 12.904 -5.973 6.768 1.00 1.00 H new ATOM 0 HB3 ALA A 79 13.760 -7.505 6.473 1.00 1.00 H new ATOM 1137 N ALA A 80 16.421 -7.922 7.697 1.00 1.00 N ATOM 1138 CA ALA A 80 17.302 -8.952 8.221 1.00 1.00 C ATOM 1139 C ALA A 80 18.653 -8.329 8.575 1.00 1.00 C ATOM 1140 O ALA A 80 19.654 -9.035 8.695 1.00 1.00 O ATOM 1141 CB ALA A 80 17.431 -10.082 7.197 1.00 1.00 C ATOM 0 H ALA A 80 16.450 -7.812 6.683 1.00 1.00 H new ATOM 0 HA ALA A 80 16.889 -9.384 9.133 1.00 1.00 H new ATOM 0 HB1 ALA A 80 18.092 -10.855 7.589 1.00 1.00 H new ATOM 0 HB2 ALA A 80 16.448 -10.510 7.002 1.00 1.00 H new ATOM 0 HB3 ALA A 80 17.846 -9.687 6.270 1.00 1.00 H new ATOM 1147 N ARG A 81 18.639 -7.013 8.734 1.00 1.00 N ATOM 1148 CA ARG A 81 19.852 -6.288 9.072 1.00 1.00 C ATOM 1149 C ARG A 81 19.590 -5.332 10.237 1.00 1.00 C ATOM 1150 O ARG A 81 20.403 -5.228 11.155 1.00 1.00 O ATOM 1151 CB ARG A 81 20.370 -5.491 7.873 1.00 1.00 C ATOM 1152 CG ARG A 81 21.187 -6.380 6.935 1.00 1.00 C ATOM 1153 CD ARG A 81 21.717 -5.580 5.743 1.00 1.00 C ATOM 1154 NE ARG A 81 22.601 -6.430 4.915 1.00 1.00 N ATOM 1155 CZ ARG A 81 23.807 -6.864 5.306 1.00 1.00 C ATOM 1156 NH1 ARG A 81 24.280 -6.530 6.514 1.00 1.00 N ATOM 1157 NH2 ARG A 81 24.540 -7.632 4.487 1.00 1.00 N ATOM 0 H ARG A 81 17.807 -6.431 8.635 1.00 1.00 H new ATOM 0 HA ARG A 81 20.607 -7.020 9.360 1.00 1.00 H new ATOM 0 HB2 ARG A 81 19.530 -5.058 7.330 1.00 1.00 H new ATOM 0 HB3 ARG A 81 20.986 -4.662 8.222 1.00 1.00 H new ATOM 0 HG2 ARG A 81 22.021 -6.821 7.481 1.00 1.00 H new ATOM 0 HG3 ARG A 81 20.568 -7.204 6.578 1.00 1.00 H new ATOM 0 HD2 ARG A 81 20.885 -5.213 5.142 1.00 1.00 H new ATOM 0 HD3 ARG A 81 22.265 -4.706 6.096 1.00 1.00 H new ATOM 0 HE ARG A 81 22.272 -6.703 3.989 1.00 1.00 H new ATOM 0 HH11 ARG A 81 23.722 -5.945 7.136 1.00 1.00 H new ATOM 0 HH12 ARG A 81 25.198 -6.860 6.811 1.00 1.00 H new ATOM 0 HH21 ARG A 81 24.180 -7.885 3.567 1.00 1.00 H new ATOM 0 HH22 ARG A 81 25.458 -7.963 4.784 1.00 1.00 H new ATOM 1171 N ASN A 82 18.452 -4.657 10.163 1.00 1.00 N ATOM 1172 CA ASN A 82 18.074 -3.713 11.201 1.00 1.00 C ATOM 1173 C ASN A 82 17.224 -2.598 10.584 1.00 1.00 C ATOM 1174 O ASN A 82 17.716 -1.817 9.772 1.00 1.00 O ATOM 1175 CB ASN A 82 19.307 -3.070 11.837 1.00 1.00 C ATOM 1176 CG ASN A 82 19.617 -3.702 13.195 1.00 1.00 C ATOM 1177 OD1 ASN A 82 19.303 -4.993 13.274 1.00 1.00 O flip ATOM 1178 ND2 ASN A 82 20.107 -3.062 14.110 1.00 1.00 N flip ATOM 0 H ASN A 82 17.780 -4.745 9.401 1.00 1.00 H new ATOM 0 HA ASN A 82 17.517 -4.256 11.964 1.00 1.00 H new ATOM 0 HB2 ASN A 82 20.164 -3.186 11.174 1.00 1.00 H new ATOM 0 HB3 ASN A 82 19.141 -2.000 11.960 1.00 1.00 H new ATOM 0 HD21 ASN A 82 20.324 -2.074 13.982 1.00 1.00 H new ATOM 0 HD22 ASN A 82 20.300 -3.515 15.003 1.00 1.00 H new ATOM 1185 N CYS A 83 15.966 -2.562 10.995 1.00 1.00 N ATOM 1186 CA CYS A 83 15.043 -1.557 10.493 1.00 1.00 C ATOM 1187 C CYS A 83 14.108 -2.225 9.484 1.00 1.00 C ATOM 1188 O CYS A 83 14.542 -3.046 8.678 1.00 1.00 O ATOM 1189 CB CYS A 83 15.783 -0.364 9.884 1.00 1.00 C ATOM 1190 SG CYS A 83 16.976 0.452 11.005 1.00 1.00 S ATOM 0 H CYS A 83 15.563 -3.212 11.670 1.00 1.00 H new ATOM 0 HA CYS A 83 14.456 -1.154 11.318 1.00 1.00 H new ATOM 0 HB2 CYS A 83 16.314 -0.700 8.993 1.00 1.00 H new ATOM 0 HB3 CYS A 83 15.049 0.373 9.558 1.00 1.00 H new ATOM 1195 N CYS A 84 12.840 -1.847 9.559 1.00 1.00 N ATOM 1196 CA CYS A 84 11.840 -2.398 8.662 1.00 1.00 C ATOM 1197 C CYS A 84 12.157 -1.927 7.241 1.00 1.00 C ATOM 1198 O CYS A 84 12.978 -1.032 7.050 1.00 1.00 O ATOM 1199 CB CYS A 84 10.422 -2.011 9.089 1.00 1.00 C ATOM 1200 SG CYS A 84 9.848 -2.792 10.641 1.00 1.00 S ATOM 0 H CYS A 84 12.483 -1.165 10.228 1.00 1.00 H new ATOM 0 HA CYS A 84 11.875 -3.487 8.699 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.375 -0.928 9.205 1.00 1.00 H new ATOM 0 HB3 CYS A 84 9.731 -2.276 8.288 1.00 1.00 H new ATOM 1205 N PHE A 85 11.489 -2.552 6.282 1.00 1.00 N ATOM 1206 CA PHE A 85 11.689 -2.207 4.885 1.00 1.00 C ATOM 1207 C PHE A 85 10.369 -2.261 4.112 1.00 1.00 C ATOM 1208 O PHE A 85 9.862 -3.342 3.817 1.00 1.00 O ATOM 1209 CB PHE A 85 12.650 -3.246 4.302 1.00 1.00 C ATOM 1210 CG PHE A 85 13.120 -2.929 2.881 1.00 1.00 C ATOM 1211 CD1 PHE A 85 12.277 -3.108 1.829 1.00 1.00 C ATOM 1212 CD2 PHE A 85 14.382 -2.468 2.669 1.00 1.00 C ATOM 1213 CE1 PHE A 85 12.714 -2.814 0.511 1.00 1.00 C ATOM 1214 CE2 PHE A 85 14.819 -2.174 1.351 1.00 1.00 C ATOM 1215 CZ PHE A 85 13.976 -2.353 0.299 1.00 1.00 C ATOM 0 H PHE A 85 10.809 -3.295 6.445 1.00 1.00 H new ATOM 0 HA PHE A 85 12.085 -1.195 4.804 1.00 1.00 H new ATOM 0 HB2 PHE A 85 13.521 -3.326 4.953 1.00 1.00 H new ATOM 0 HB3 PHE A 85 12.161 -4.220 4.303 1.00 1.00 H new ATOM 0 HD1 PHE A 85 11.275 -3.474 1.996 1.00 1.00 H new ATOM 0 HD2 PHE A 85 15.052 -2.326 3.504 1.00 1.00 H new ATOM 0 HE1 PHE A 85 12.044 -2.956 -0.324 1.00 1.00 H new ATOM 0 HE2 PHE A 85 15.821 -1.808 1.184 1.00 1.00 H new ATOM 0 HZ PHE A 85 14.308 -2.129 -0.704 1.00 1.00 H new ATOM 1225 N SER A 86 9.851 -1.080 3.807 1.00 1.00 N ATOM 1226 CA SER A 86 8.600 -0.978 3.075 1.00 1.00 C ATOM 1227 C SER A 86 8.741 0.034 1.936 1.00 1.00 C ATOM 1228 O SER A 86 8.518 1.227 2.131 1.00 1.00 O ATOM 1229 CB SER A 86 7.451 -0.578 4.002 1.00 1.00 C ATOM 1230 OG SER A 86 6.216 -0.459 3.300 1.00 1.00 O ATOM 0 H SER A 86 10.275 -0.186 4.054 1.00 1.00 H new ATOM 0 HA SER A 86 8.368 -1.957 2.655 1.00 1.00 H new ATOM 0 HB2 SER A 86 7.348 -1.320 4.793 1.00 1.00 H new ATOM 0 HB3 SER A 86 7.687 0.371 4.484 1.00 1.00 H new ATOM 0 HG SER A 86 5.507 -0.204 3.926 1.00 1.00 H new ATOM 1236 N ASP A 87 9.111 -0.481 0.773 1.00 1.00 N ATOM 1237 CA ASP A 87 9.284 0.364 -0.397 1.00 1.00 C ATOM 1238 C ASP A 87 7.911 0.761 -0.942 1.00 1.00 C ATOM 1239 O ASP A 87 7.818 1.480 -1.935 1.00 1.00 O ATOM 1240 CB ASP A 87 10.036 -0.378 -1.505 1.00 1.00 C ATOM 1241 CG ASP A 87 9.241 -1.491 -2.192 1.00 1.00 C ATOM 1242 OD1 ASP A 87 8.466 -2.160 -1.474 1.00 1.00 O ATOM 1243 OD2 ASP A 87 9.427 -1.648 -3.418 1.00 1.00 O ATOM 0 H ASP A 87 9.296 -1.472 0.615 1.00 1.00 H new ATOM 0 HA ASP A 87 9.856 1.242 -0.097 1.00 1.00 H new ATOM 0 HB2 ASP A 87 10.347 0.345 -2.259 1.00 1.00 H new ATOM 0 HB3 ASP A 87 10.944 -0.808 -1.082 1.00 1.00 H new ATOM 1248 N THR A 88 6.879 0.278 -0.266 1.00 1.00 N ATOM 1249 CA THR A 88 5.515 0.574 -0.670 1.00 1.00 C ATOM 1250 C THR A 88 5.482 1.813 -1.566 1.00 1.00 C ATOM 1251 O THR A 88 4.879 1.792 -2.638 1.00 1.00 O ATOM 1252 CB THR A 88 4.668 0.716 0.596 1.00 1.00 C ATOM 1253 OG1 THR A 88 3.402 1.162 0.118 1.00 1.00 O ATOM 1254 CG2 THR A 88 5.149 1.854 1.497 1.00 1.00 C ATOM 0 H THR A 88 6.960 -0.316 0.559 1.00 1.00 H new ATOM 0 HA THR A 88 5.095 -0.233 -1.270 1.00 1.00 H new ATOM 0 HB THR A 88 4.688 -0.221 1.153 1.00 1.00 H new ATOM 0 HG1 THR A 88 2.790 1.279 0.874 1.00 1.00 H new ATOM 0 HG21 THR A 88 4.514 1.911 2.381 1.00 1.00 H new ATOM 0 HG22 THR A 88 6.179 1.667 1.801 1.00 1.00 H new ATOM 0 HG23 THR A 88 5.098 2.796 0.952 1.00 1.00 H new ATOM 1262 N ILE A 89 6.136 2.863 -1.094 1.00 1.00 N ATOM 1263 CA ILE A 89 6.189 4.109 -1.839 1.00 1.00 C ATOM 1264 C ILE A 89 7.650 4.503 -2.066 1.00 1.00 C ATOM 1265 O ILE A 89 8.506 4.233 -1.224 1.00 1.00 O ATOM 1266 CB ILE A 89 5.363 5.189 -1.137 1.00 1.00 C ATOM 1267 CG1 ILE A 89 3.910 5.167 -1.615 1.00 1.00 C ATOM 1268 CG2 ILE A 89 6.002 6.569 -1.311 1.00 1.00 C ATOM 1269 CD1 ILE A 89 3.102 4.104 -0.865 1.00 1.00 C ATOM 0 H ILE A 89 6.634 2.877 -0.204 1.00 1.00 H new ATOM 0 HA ILE A 89 5.737 3.983 -2.823 1.00 1.00 H new ATOM 0 HB ILE A 89 5.354 4.970 -0.069 1.00 1.00 H new ATOM 0 HG12 ILE A 89 3.458 6.147 -1.462 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.879 4.965 -2.686 1.00 1.00 H new ATOM 0 HG21 ILE A 89 5.395 7.318 -0.802 1.00 1.00 H new ATOM 0 HG22 ILE A 89 7.004 6.563 -0.883 1.00 1.00 H new ATOM 0 HG23 ILE A 89 6.063 6.811 -2.372 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.073 4.109 -1.224 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.542 3.122 -1.039 1.00 1.00 H new ATOM 0 HD13 ILE A 89 3.115 4.323 0.203 1.00 1.00 H new ATOM 1281 N PRO A 90 7.897 5.149 -3.235 1.00 1.00 N ATOM 1282 CA PRO A 90 9.240 5.582 -3.583 1.00 1.00 C ATOM 1283 C PRO A 90 9.645 6.817 -2.774 1.00 1.00 C ATOM 1284 O PRO A 90 10.815 6.986 -2.438 1.00 1.00 O ATOM 1285 CB PRO A 90 9.195 5.840 -5.080 1.00 1.00 C ATOM 1286 CG PRO A 90 7.724 5.992 -5.433 1.00 1.00 C ATOM 1287 CD PRO A 90 6.907 5.486 -4.256 1.00 1.00 C ATOM 0 HA PRO A 90 9.998 4.836 -3.344 1.00 1.00 H new ATOM 0 HB2 PRO A 90 9.754 6.740 -5.338 1.00 1.00 H new ATOM 0 HB3 PRO A 90 9.646 5.015 -5.632 1.00 1.00 H new ATOM 0 HG2 PRO A 90 7.487 7.035 -5.641 1.00 1.00 H new ATOM 0 HG3 PRO A 90 7.487 5.426 -6.334 1.00 1.00 H new ATOM 0 HD2 PRO A 90 6.213 6.247 -3.899 1.00 1.00 H new ATOM 0 HD3 PRO A 90 6.311 4.616 -4.532 1.00 1.00 H new ATOM 1295 N GLU A 91 8.652 7.647 -2.487 1.00 1.00 N ATOM 1296 CA GLU A 91 8.891 8.861 -1.725 1.00 1.00 C ATOM 1297 C GLU A 91 8.631 8.613 -0.238 1.00 1.00 C ATOM 1298 O GLU A 91 7.755 9.239 0.356 1.00 1.00 O ATOM 1299 CB GLU A 91 8.030 10.014 -2.247 1.00 1.00 C ATOM 1300 CG GLU A 91 8.880 11.030 -3.012 1.00 1.00 C ATOM 1301 CD GLU A 91 8.388 12.457 -2.760 1.00 1.00 C ATOM 1302 OE1 GLU A 91 7.842 12.683 -1.659 1.00 1.00 O ATOM 1303 OE2 GLU A 91 8.570 13.289 -3.675 1.00 1.00 O ATOM 0 H GLU A 91 7.682 7.503 -2.768 1.00 1.00 H new ATOM 0 HA GLU A 91 9.936 9.146 -1.849 1.00 1.00 H new ATOM 0 HB2 GLU A 91 7.249 9.623 -2.899 1.00 1.00 H new ATOM 0 HB3 GLU A 91 7.531 10.507 -1.413 1.00 1.00 H new ATOM 0 HG2 GLU A 91 9.922 10.941 -2.706 1.00 1.00 H new ATOM 0 HG3 GLU A 91 8.842 10.811 -4.079 1.00 1.00 H new ATOM 1310 N VAL A 92 9.410 7.698 0.321 1.00 1.00 N ATOM 1311 CA VAL A 92 9.275 7.360 1.728 1.00 1.00 C ATOM 1312 C VAL A 92 10.509 6.575 2.179 1.00 1.00 C ATOM 1313 O VAL A 92 11.225 6.011 1.354 1.00 1.00 O ATOM 1314 CB VAL A 92 7.966 6.604 1.962 1.00 1.00 C ATOM 1315 CG1 VAL A 92 6.759 7.519 1.748 1.00 1.00 C ATOM 1316 CG2 VAL A 92 7.881 5.366 1.067 1.00 1.00 C ATOM 0 H VAL A 92 10.136 7.181 -0.175 1.00 1.00 H new ATOM 0 HA VAL A 92 9.224 8.264 2.335 1.00 1.00 H new ATOM 0 HB VAL A 92 7.953 6.269 2.999 1.00 1.00 H new ATOM 0 HG11 VAL A 92 5.841 6.957 1.921 1.00 1.00 H new ATOM 0 HG12 VAL A 92 6.809 8.356 2.445 1.00 1.00 H new ATOM 0 HG13 VAL A 92 6.766 7.897 0.726 1.00 1.00 H new ATOM 0 HG21 VAL A 92 6.941 4.846 1.253 1.00 1.00 H new ATOM 0 HG22 VAL A 92 7.927 5.669 0.021 1.00 1.00 H new ATOM 0 HG23 VAL A 92 8.714 4.699 1.289 1.00 1.00 H new ATOM 1326 N PRO A 93 10.722 6.562 3.522 1.00 1.00 N ATOM 1327 CA PRO A 93 11.856 5.855 4.093 1.00 1.00 C ATOM 1328 C PRO A 93 11.621 4.343 4.082 1.00 1.00 C ATOM 1329 O PRO A 93 11.246 3.762 5.098 1.00 1.00 O ATOM 1330 CB PRO A 93 12.008 6.421 5.496 1.00 1.00 C ATOM 1331 CG PRO A 93 10.680 7.084 5.823 1.00 1.00 C ATOM 1332 CD PRO A 93 9.894 7.219 4.530 1.00 1.00 C ATOM 0 HA PRO A 93 12.772 5.997 3.519 1.00 1.00 H new ATOM 0 HB2 PRO A 93 12.238 5.633 6.213 1.00 1.00 H new ATOM 0 HB3 PRO A 93 12.825 7.141 5.541 1.00 1.00 H new ATOM 0 HG2 PRO A 93 10.124 6.488 6.547 1.00 1.00 H new ATOM 0 HG3 PRO A 93 10.843 8.063 6.274 1.00 1.00 H new ATOM 0 HD2 PRO A 93 8.916 6.744 4.610 1.00 1.00 H new ATOM 0 HD3 PRO A 93 9.721 8.266 4.279 1.00 1.00 H new ATOM 1340 N TRP A 94 11.852 3.749 2.919 1.00 1.00 N ATOM 1341 CA TRP A 94 11.669 2.316 2.762 1.00 1.00 C ATOM 1342 C TRP A 94 12.187 1.632 4.028 1.00 1.00 C ATOM 1343 O TRP A 94 11.517 0.765 4.588 1.00 1.00 O ATOM 1344 CB TRP A 94 12.354 1.814 1.489 1.00 1.00 C ATOM 1345 CG TRP A 94 11.820 2.448 0.204 1.00 1.00 C ATOM 1346 CD1 TRP A 94 10.914 3.427 0.081 1.00 1.00 C ATOM 1347 CD2 TRP A 94 12.200 2.106 -1.146 1.00 1.00 C ATOM 1348 NE1 TRP A 94 10.682 3.740 -1.243 1.00 1.00 N ATOM 1349 CE2 TRP A 94 11.489 2.911 -2.013 1.00 1.00 C ATOM 1350 CE3 TRP A 94 13.113 1.147 -1.619 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 11.618 2.839 -3.405 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 13.230 1.089 -3.013 1.00 1.00 C ATOM 1353 CH2 TRP A 94 12.523 1.892 -3.899 1.00 1.00 C ATOM 0 H TRP A 94 12.164 4.234 2.078 1.00 1.00 H new ATOM 0 HA TRP A 94 10.613 2.072 2.642 1.00 1.00 H new ATOM 0 HB2 TRP A 94 13.423 2.011 1.562 1.00 1.00 H new ATOM 0 HB3 TRP A 94 12.233 0.733 1.426 1.00 1.00 H new ATOM 0 HD1 TRP A 94 10.426 3.911 0.914 1.00 1.00 H new ATOM 0 HE1 TRP A 94 10.037 4.449 -1.592 1.00 1.00 H new ATOM 0 HE3 TRP A 94 13.679 0.506 -0.959 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 11.050 3.480 -4.063 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 13.919 0.369 -3.429 1.00 1.00 H new ATOM 0 HH2 TRP A 94 12.671 1.786 -4.964 1.00 1.00 H new ATOM 1364 N CYS A 95 13.374 2.048 4.446 1.00 1.00 N ATOM 1365 CA CYS A 95 13.988 1.486 5.636 1.00 1.00 C ATOM 1366 C CYS A 95 13.647 2.388 6.824 1.00 1.00 C ATOM 1367 O CYS A 95 14.109 3.526 6.897 1.00 1.00 O ATOM 1368 CB CYS A 95 15.499 1.314 5.465 1.00 1.00 C ATOM 1369 SG CYS A 95 15.999 -0.165 4.510 1.00 1.00 S ATOM 0 H CYS A 95 13.927 2.768 3.981 1.00 1.00 H new ATOM 0 HA CYS A 95 13.593 0.486 5.815 1.00 1.00 H new ATOM 0 HB2 CYS A 95 15.898 2.200 4.971 1.00 1.00 H new ATOM 0 HB3 CYS A 95 15.959 1.265 6.452 1.00 1.00 H new ATOM 1374 N PHE A 96 12.843 1.847 7.726 1.00 1.00 N ATOM 1375 CA PHE A 96 12.435 2.588 8.907 1.00 1.00 C ATOM 1376 C PHE A 96 12.521 1.716 10.161 1.00 1.00 C ATOM 1377 O PHE A 96 13.018 0.591 10.105 1.00 1.00 O ATOM 1378 CB PHE A 96 10.979 3.008 8.692 1.00 1.00 C ATOM 1379 CG PHE A 96 10.053 1.856 8.295 1.00 1.00 C ATOM 1380 CD1 PHE A 96 10.021 1.423 7.006 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.261 1.267 9.230 1.00 1.00 C ATOM 1382 CE1 PHE A 96 9.160 0.355 6.636 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.401 0.199 8.861 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.369 -0.234 7.572 1.00 1.00 C ATOM 0 H PHE A 96 12.462 0.903 7.663 1.00 1.00 H new ATOM 0 HA PHE A 96 13.090 3.447 9.050 1.00 1.00 H new ATOM 0 HB2 PHE A 96 10.604 3.464 9.608 1.00 1.00 H new ATOM 0 HB3 PHE A 96 10.943 3.774 7.917 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.650 1.891 6.263 1.00 1.00 H new ATOM 0 HD2 PHE A 96 9.286 1.611 10.253 1.00 1.00 H new ATOM 0 HE1 PHE A 96 9.134 0.011 5.612 1.00 1.00 H new ATOM 0 HE2 PHE A 96 7.772 -0.269 9.604 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.715 -1.046 7.292 1.00 1.00 H new ATOM 1394 N PHE A 97 12.030 2.265 11.261 1.00 1.00 N ATOM 1395 CA PHE A 97 12.046 1.550 12.526 1.00 1.00 C ATOM 1396 C PHE A 97 10.661 0.994 12.858 1.00 1.00 C ATOM 1397 O PHE A 97 9.654 1.481 12.348 1.00 1.00 O ATOM 1398 CB PHE A 97 12.450 2.558 13.605 1.00 1.00 C ATOM 1399 CG PHE A 97 13.819 3.202 13.373 1.00 1.00 C ATOM 1400 CD1 PHE A 97 14.009 4.034 12.314 1.00 1.00 C ATOM 1401 CD2 PHE A 97 14.845 2.943 14.227 1.00 1.00 C ATOM 1402 CE1 PHE A 97 15.278 4.632 12.099 1.00 1.00 C ATOM 1403 CE2 PHE A 97 16.115 3.540 14.012 1.00 1.00 C ATOM 1404 CZ PHE A 97 16.305 4.373 12.953 1.00 1.00 C ATOM 0 H PHE A 97 11.618 3.197 11.303 1.00 1.00 H new ATOM 0 HA PHE A 97 12.741 0.712 12.471 1.00 1.00 H new ATOM 0 HB2 PHE A 97 11.695 3.342 13.656 1.00 1.00 H new ATOM 0 HB3 PHE A 97 12.455 2.057 14.573 1.00 1.00 H new ATOM 0 HD1 PHE A 97 13.194 4.240 11.636 1.00 1.00 H new ATOM 0 HD2 PHE A 97 14.694 2.283 15.069 1.00 1.00 H new ATOM 0 HE1 PHE A 97 15.428 5.292 11.258 1.00 1.00 H new ATOM 0 HE2 PHE A 97 16.930 3.333 14.689 1.00 1.00 H new ATOM 0 HZ PHE A 97 17.271 4.828 12.790 1.00 1.00 H new ATOM 1414 N PRO A 98 10.655 -0.047 13.735 1.00 1.00 N ATOM 1415 CA PRO A 98 9.409 -0.675 14.142 1.00 1.00 C ATOM 1416 C PRO A 98 8.646 0.208 15.131 1.00 1.00 C ATOM 1417 O PRO A 98 7.457 0.000 15.365 1.00 1.00 O ATOM 1418 CB PRO A 98 9.819 -2.013 14.734 1.00 1.00 C ATOM 1419 CG PRO A 98 11.298 -1.889 15.062 1.00 1.00 C ATOM 1420 CD PRO A 98 11.829 -0.649 14.360 1.00 1.00 C ATOM 0 HA PRO A 98 8.718 -0.817 13.311 1.00 1.00 H new ATOM 0 HB2 PRO A 98 9.238 -2.239 15.628 1.00 1.00 H new ATOM 0 HB3 PRO A 98 9.643 -2.823 14.027 1.00 1.00 H new ATOM 0 HG2 PRO A 98 11.445 -1.810 16.139 1.00 1.00 H new ATOM 0 HG3 PRO A 98 11.838 -2.776 14.731 1.00 1.00 H new ATOM 0 HD2 PRO A 98 12.297 0.036 15.067 1.00 1.00 H new ATOM 0 HD3 PRO A 98 12.585 -0.907 13.618 1.00 1.00 H new ATOM 1428 N MET A 99 9.363 1.175 15.686 1.00 1.00 N ATOM 1429 CA MET A 99 8.769 2.091 16.645 1.00 1.00 C ATOM 1430 C MET A 99 8.206 1.334 17.849 1.00 1.00 C ATOM 1431 O MET A 99 8.827 1.298 18.910 1.00 1.00 O ATOM 1432 CB MET A 99 7.646 2.882 15.968 1.00 1.00 C ATOM 1433 CG MET A 99 7.922 4.385 16.028 1.00 1.00 C ATOM 1434 SD MET A 99 6.661 5.199 16.994 1.00 1.00 S ATOM 1435 CE MET A 99 5.199 4.555 16.198 1.00 1.00 C ATOM 0 H MET A 99 10.350 1.344 15.490 1.00 1.00 H new ATOM 0 HA MET A 99 9.544 2.772 16.997 1.00 1.00 H new ATOM 0 HB2 MET A 99 7.550 2.567 14.929 1.00 1.00 H new ATOM 0 HB3 MET A 99 6.696 2.663 16.456 1.00 1.00 H new ATOM 0 HG2 MET A 99 8.903 4.566 16.469 1.00 1.00 H new ATOM 0 HG3 MET A 99 7.944 4.800 15.020 1.00 1.00 H new ATOM 0 HE1 MET A 99 4.411 5.308 16.219 1.00 1.00 H new ATOM 0 HE2 MET A 99 5.430 4.301 15.164 1.00 1.00 H new ATOM 0 HE3 MET A 99 4.862 3.662 16.724 1.00 1.00 H new ATOM 1445 N SER A 100 7.035 0.747 17.645 1.00 1.00 N ATOM 1446 CA SER A 100 6.381 -0.007 18.701 1.00 1.00 C ATOM 1447 C SER A 100 4.877 -0.085 18.433 1.00 1.00 C ATOM 1448 O SER A 100 4.391 0.450 17.438 1.00 1.00 O ATOM 1449 CB SER A 100 6.645 0.623 20.071 1.00 1.00 C ATOM 1450 OG SER A 100 7.796 0.065 20.700 1.00 1.00 O ATOM 0 H SER A 100 6.523 0.779 16.764 1.00 1.00 H new ATOM 0 HA SER A 100 6.795 -1.015 18.709 1.00 1.00 H new ATOM 0 HB2 SER A 100 6.780 1.699 19.956 1.00 1.00 H new ATOM 0 HB3 SER A 100 5.775 0.477 20.711 1.00 1.00 H new ATOM 0 HG SER A 100 8.599 0.528 20.382 1.00 1.00 H new ATOM 1456 N VAL A 101 4.182 -0.755 19.341 1.00 1.00 N ATOM 1457 CA VAL A 101 2.742 -0.910 19.216 1.00 1.00 C ATOM 1458 C VAL A 101 2.044 0.111 20.116 1.00 1.00 C ATOM 1459 O VAL A 101 2.097 1.313 19.857 1.00 1.00 O ATOM 1460 CB VAL A 101 2.343 -2.354 19.526 1.00 1.00 C ATOM 1461 CG1 VAL A 101 2.608 -3.266 18.327 1.00 1.00 C ATOM 1462 CG2 VAL A 101 3.064 -2.865 20.775 1.00 1.00 C ATOM 0 H VAL A 101 4.589 -1.196 20.166 1.00 1.00 H new ATOM 0 HA VAL A 101 2.423 -0.712 18.193 1.00 1.00 H new ATOM 0 HB VAL A 101 1.272 -2.370 19.727 1.00 1.00 H new ATOM 0 HG11 VAL A 101 2.316 -4.286 18.574 1.00 1.00 H new ATOM 0 HG12 VAL A 101 2.028 -2.920 17.471 1.00 1.00 H new ATOM 0 HG13 VAL A 101 3.669 -3.243 18.080 1.00 1.00 H new ATOM 0 HG21 VAL A 101 2.763 -3.894 20.974 1.00 1.00 H new ATOM 0 HG22 VAL A 101 4.141 -2.827 20.614 1.00 1.00 H new ATOM 0 HG23 VAL A 101 2.802 -2.239 21.628 1.00 1.00 H new ATOM 1472 N GLU A 102 1.404 -0.405 21.155 1.00 1.00 N ATOM 1473 CA GLU A 102 0.695 0.446 22.096 1.00 1.00 C ATOM 1474 C GLU A 102 -0.363 1.277 21.367 1.00 1.00 C ATOM 1475 O GLU A 102 -1.548 0.951 21.407 1.00 1.00 O ATOM 1476 CB GLU A 102 1.668 1.348 22.860 1.00 1.00 C ATOM 1477 CG GLU A 102 1.437 1.246 24.369 1.00 1.00 C ATOM 1478 CD GLU A 102 2.000 2.472 25.093 1.00 1.00 C ATOM 1479 OE1 GLU A 102 1.685 3.593 24.639 1.00 1.00 O ATOM 1480 OE2 GLU A 102 2.731 2.258 26.084 1.00 1.00 O ATOM 0 H GLU A 102 1.362 -1.402 21.366 1.00 1.00 H new ATOM 0 HA GLU A 102 0.192 -0.191 22.824 1.00 1.00 H new ATOM 0 HB2 GLU A 102 2.694 1.064 22.625 1.00 1.00 H new ATOM 0 HB3 GLU A 102 1.541 2.382 22.538 1.00 1.00 H new ATOM 0 HG2 GLU A 102 0.370 1.157 24.572 1.00 1.00 H new ATOM 0 HG3 GLU A 102 1.911 0.343 24.753 1.00 1.00 H new ATOM 1487 N ASP A 103 0.103 2.333 20.717 1.00 1.00 N ATOM 1488 CA ASP A 103 -0.789 3.212 19.980 1.00 1.00 C ATOM 1489 C ASP A 103 -1.771 2.368 19.165 1.00 1.00 C ATOM 1490 O ASP A 103 -2.911 2.774 18.948 1.00 1.00 O ATOM 1491 CB ASP A 103 -0.008 4.100 19.009 1.00 1.00 C ATOM 1492 CG ASP A 103 -0.676 5.435 18.674 1.00 1.00 C ATOM 1493 OD1 ASP A 103 -1.052 6.138 19.637 1.00 1.00 O ATOM 1494 OD2 ASP A 103 -0.794 5.722 17.463 1.00 1.00 O ATOM 0 H ASP A 103 1.087 2.600 20.685 1.00 1.00 H new ATOM 0 HA ASP A 103 -1.315 3.840 20.699 1.00 1.00 H new ATOM 0 HB2 ASP A 103 0.976 4.300 19.434 1.00 1.00 H new ATOM 0 HB3 ASP A 103 0.151 3.548 18.083 1.00 1.00 H new ATOM 1499 N CYS A 104 -1.292 1.210 18.736 1.00 1.00 N ATOM 1500 CA CYS A 104 -2.114 0.306 17.949 1.00 1.00 C ATOM 1501 C CYS A 104 -3.172 -0.305 18.870 1.00 1.00 C ATOM 1502 O CYS A 104 -4.333 0.103 18.843 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.271 -0.767 17.259 1.00 1.00 C ATOM 1504 SG CYS A 104 0.382 -0.209 16.706 1.00 1.00 S ATOM 0 H CYS A 104 -0.345 0.877 18.918 1.00 1.00 H new ATOM 0 HA CYS A 104 -2.606 0.860 17.149 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -1.145 -1.606 17.944 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -1.820 -1.140 16.395 1.00 1.00 H new ATOM 1509 N HIS A 105 -2.735 -1.271 19.662 1.00 1.00 N ATOM 1510 CA HIS A 105 -3.630 -1.942 20.589 1.00 1.00 C ATOM 1511 C HIS A 105 -5.009 -2.102 19.946 1.00 1.00 C ATOM 1512 O HIS A 105 -5.130 -2.104 18.723 1.00 1.00 O ATOM 1513 CB HIS A 105 -3.683 -1.201 21.927 1.00 1.00 C ATOM 1514 CG HIS A 105 -4.489 0.075 21.891 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -4.112 1.180 21.147 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -5.656 0.411 22.512 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -5.017 2.131 21.321 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -5.973 1.653 22.168 1.00 1.00 N ATOM 0 H HIS A 105 -1.772 -1.606 19.681 1.00 1.00 H new ATOM 0 HA HIS A 105 -3.250 -2.940 20.807 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -4.106 -1.864 22.681 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -2.666 -0.967 22.242 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -6.226 -0.226 23.172 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -5.001 3.113 20.871 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -6.796 2.166 22.485 1.00 1.00 H new ATOM 1526 N TYR A 106 -6.014 -2.232 20.800 1.00 1.00 N ATOM 1527 CA TYR A 106 -7.380 -2.392 20.331 1.00 1.00 C ATOM 1528 C TYR A 106 -8.383 -2.020 21.423 1.00 1.00 C ATOM 1529 O TYR A 106 -9.312 -1.251 21.182 1.00 1.00 O ATOM 1530 CB TYR A 106 -7.539 -3.876 19.994 1.00 1.00 C ATOM 1531 CG TYR A 106 -7.131 -4.236 18.564 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -7.349 -3.340 17.538 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -6.547 -5.459 18.300 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -6.966 -3.679 16.191 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -6.164 -5.798 16.954 1.00 1.00 C ATOM 1536 CZ TYR A 106 -6.393 -4.891 15.965 1.00 1.00 C ATOM 1537 OH TYR A 106 -6.031 -5.212 14.694 1.00 1.00 O ATOM 0 H TYR A 106 -5.909 -2.230 21.815 1.00 1.00 H new ATOM 0 HA TYR A 106 -7.569 -1.745 19.474 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -6.940 -4.463 20.691 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -8.579 -4.164 20.148 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -7.807 -2.384 17.745 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -6.378 -6.161 19.103 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -7.130 -2.986 15.379 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -5.705 -6.751 16.734 1.00 1.00 H new ATOM 0 HH TYR A 106 -5.214 -5.752 14.713 1.00 1.00 H new TER 1547 TYR A 106