USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 555 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 33 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 152:sc= 0.168 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 126:sc= 0.825 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc=-0.00348 X(o=-0.0035,f=0.31) USER MOD Single : A 41 MET CE :methyl -158:sc= -1.36 (180deg=-2.66) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.0038) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= 0.0237 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -13.707 11.505 4.614 1.00 0.00 N ATOM 2 CA ARG A 1 -12.675 10.459 4.819 1.00 0.00 C ATOM 3 C ARG A 1 -13.219 9.008 4.654 1.00 0.00 C ATOM 4 O ARG A 1 -12.566 8.213 3.974 1.00 0.00 O ATOM 5 CB ARG A 1 -11.932 10.684 6.165 1.00 0.00 C ATOM 6 CG ARG A 1 -10.580 9.940 6.282 1.00 0.00 C ATOM 7 CD ARG A 1 -9.879 10.170 7.633 1.00 0.00 C ATOM 8 NE ARG A 1 -8.547 9.518 7.667 1.00 0.00 N ATOM 9 CZ ARG A 1 -7.687 9.596 8.703 1.00 0.00 C ATOM 10 NH1 ARG A 1 -7.940 10.260 9.830 1.00 0.00 N ATOM 11 NH2 ARG A 1 -6.523 8.982 8.597 1.00 0.00 N ATOM 0 H1 ARG A 1 -13.279 12.444 4.738 1.00 0.00 H new ATOM 0 H2 ARG A 1 -14.095 11.426 3.652 1.00 0.00 H new ATOM 0 H3 ARG A 1 -14.472 11.379 5.308 1.00 0.00 H new ATOM 0 HA ARG A 1 -11.945 10.564 4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -11.757 11.752 6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -12.580 10.365 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -10.747 8.872 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.921 10.267 5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -9.767 11.240 7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -10.499 9.777 8.439 1.00 0.00 H new ATOM 0 HE ARG A 1 -8.262 8.974 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.828 10.748 9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -7.246 10.280 10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -6.294 8.466 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -5.853 9.024 9.365 1.00 0.00 H new ATOM 24 N ARG A 2 -14.376 8.652 5.259 1.00 0.00 N ATOM 25 CA ARG A 2 -14.957 7.280 5.196 1.00 0.00 C ATOM 26 C ARG A 2 -15.296 6.771 3.759 1.00 0.00 C ATOM 27 O ARG A 2 -15.728 7.541 2.895 1.00 0.00 O ATOM 28 CB ARG A 2 -16.159 7.170 6.176 1.00 0.00 C ATOM 29 CG ARG A 2 -17.436 7.974 5.830 1.00 0.00 C ATOM 30 CD ARG A 2 -18.518 7.859 6.918 1.00 0.00 C ATOM 31 NE ARG A 2 -19.759 8.559 6.508 1.00 0.00 N ATOM 32 CZ ARG A 2 -20.914 8.538 7.202 1.00 0.00 C ATOM 33 NH1 ARG A 2 -21.078 7.889 8.354 1.00 0.00 N ATOM 34 NH2 ARG A 2 -21.945 9.200 6.710 1.00 0.00 N ATOM 0 H ARG A 2 -14.937 9.304 5.806 1.00 0.00 H new ATOM 0 HA ARG A 2 -14.172 6.596 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -16.434 6.118 6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -15.819 7.485 7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -17.175 9.023 5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -17.840 7.618 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.735 6.808 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -18.148 8.284 7.851 1.00 0.00 H new ATOM 0 HE ARG A 2 -19.737 9.094 5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -20.301 7.368 8.761 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -21.980 7.914 8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -21.853 9.707 5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -22.834 9.205 7.210 1.00 0.00 H new ATOM 47 N ARG A 3 -15.079 5.458 3.538 1.00 0.00 N ATOM 48 CA ARG A 3 -15.282 4.768 2.232 1.00 0.00 C ATOM 49 C ARG A 3 -14.212 5.209 1.186 1.00 0.00 C ATOM 50 O ARG A 3 -14.427 6.159 0.426 1.00 0.00 O ATOM 51 CB ARG A 3 -16.734 4.779 1.659 1.00 0.00 C ATOM 52 CG ARG A 3 -17.772 3.880 2.370 1.00 0.00 C ATOM 53 CD ARG A 3 -18.385 4.459 3.661 1.00 0.00 C ATOM 54 NE ARG A 3 -19.364 3.502 4.234 1.00 0.00 N ATOM 55 CZ ARG A 3 -20.310 3.813 5.140 1.00 0.00 C ATOM 56 NH1 ARG A 3 -20.496 5.034 5.634 1.00 0.00 N ATOM 57 NH2 ARG A 3 -21.104 2.846 5.563 1.00 0.00 N ATOM 0 H ARG A 3 -14.751 4.829 4.271 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.130 3.713 2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.101 5.805 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.688 4.481 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.580 3.666 1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -17.298 2.928 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.598 4.664 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.876 5.408 3.446 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.316 2.534 3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.902 5.804 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -21.233 5.200 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.990 1.898 5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.831 3.047 6.249 1.00 0.00 H new ATOM 70 N LYS A 4 -13.069 4.493 1.172 1.00 0.00 N ATOM 71 CA LYS A 4 -11.929 4.710 0.234 1.00 0.00 C ATOM 72 C LYS A 4 -11.452 6.177 -0.032 1.00 0.00 C ATOM 73 O LYS A 4 -11.505 6.652 -1.172 1.00 0.00 O ATOM 74 CB LYS A 4 -12.014 3.799 -1.030 1.00 0.00 C ATOM 75 CG LYS A 4 -13.180 4.006 -2.030 1.00 0.00 C ATOM 76 CD LYS A 4 -14.403 3.102 -1.771 1.00 0.00 C ATOM 77 CE LYS A 4 -15.553 3.356 -2.760 1.00 0.00 C ATOM 78 NZ LYS A 4 -16.707 2.483 -2.477 1.00 0.00 N ATOM 0 H LYS A 4 -12.901 3.728 1.825 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.076 4.365 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.082 3.916 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.054 2.765 -0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.497 5.048 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.814 3.823 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.097 2.058 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.761 3.266 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.861 4.400 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.205 3.183 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.466 2.678 -3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.417 1.487 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.053 2.667 -1.514 1.00 0.00 H new ATOM 91 N LYS A 5 -10.977 6.885 1.018 1.00 0.00 N ATOM 92 CA LYS A 5 -10.470 8.281 0.881 1.00 0.00 C ATOM 93 C LYS A 5 -9.513 8.623 2.062 1.00 0.00 C ATOM 94 O LYS A 5 -9.945 9.136 3.098 1.00 0.00 O ATOM 95 CB LYS A 5 -11.650 9.293 0.728 1.00 0.00 C ATOM 96 CG LYS A 5 -11.279 10.761 0.405 1.00 0.00 C ATOM 97 CD LYS A 5 -10.473 11.009 -0.892 1.00 0.00 C ATOM 98 CE LYS A 5 -11.110 10.547 -2.221 1.00 0.00 C ATOM 99 NZ LYS A 5 -12.329 11.298 -2.575 1.00 0.00 N ATOM 0 H LYS A 5 -10.932 6.519 1.969 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.884 8.364 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.309 8.929 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.226 9.285 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.201 11.339 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.705 11.158 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.275 12.078 -0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.508 10.512 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.380 10.655 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.352 9.487 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.708 10.941 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.041 11.176 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.099 12.308 -2.672 1.00 0.00 H new ATOM 112 N ARG A 6 -8.211 8.325 1.899 1.00 0.00 N ATOM 113 CA ARG A 6 -7.157 8.646 2.902 1.00 0.00 C ATOM 114 C ARG A 6 -5.800 8.780 2.184 1.00 0.00 C ATOM 115 O ARG A 6 -5.374 7.906 1.427 1.00 0.00 O ATOM 116 CB ARG A 6 -7.099 7.582 4.026 1.00 0.00 C ATOM 117 CG ARG A 6 -5.896 7.546 5.009 1.00 0.00 C ATOM 118 CD ARG A 6 -5.780 6.238 5.819 1.00 0.00 C ATOM 119 NE ARG A 6 -6.904 6.020 6.764 1.00 0.00 N ATOM 120 CZ ARG A 6 -7.234 4.829 7.302 1.00 0.00 C ATOM 121 NH1 ARG A 6 -6.594 3.690 7.041 1.00 0.00 N ATOM 122 NH2 ARG A 6 -8.253 4.789 8.139 1.00 0.00 N ATOM 0 H ARG A 6 -7.851 7.854 1.069 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.402 9.593 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.002 7.696 4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.155 6.604 3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.975 7.693 4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.982 8.383 5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.729 5.396 5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.844 6.249 6.378 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.467 6.830 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.802 3.686 6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.896 2.822 7.483 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.764 5.643 8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.529 3.904 8.564 1.00 0.00 H new ATOM 135 N THR A 7 -5.094 9.856 2.536 1.00 0.00 N ATOM 136 CA THR A 7 -3.684 10.066 2.083 1.00 0.00 C ATOM 137 C THR A 7 -2.835 10.647 3.251 1.00 0.00 C ATOM 138 O THR A 7 -2.405 11.804 3.258 1.00 0.00 O ATOM 139 CB THR A 7 -3.554 10.749 0.683 1.00 0.00 C ATOM 140 OG1 THR A 7 -4.075 9.890 -0.311 1.00 0.00 O ATOM 141 CG2 THR A 7 -2.133 11.123 0.220 1.00 0.00 C ATOM 0 H THR A 7 -5.457 10.602 3.130 1.00 0.00 H new ATOM 0 HA THR A 7 -3.231 9.101 1.856 1.00 0.00 H new ATOM 0 HB THR A 7 -4.102 11.683 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.407 10.423 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.182 11.588 -0.765 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.691 11.822 0.930 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.519 10.224 0.166 1.00 0.00 H new ATOM 149 N SER A 8 -2.621 9.773 4.245 1.00 0.00 N ATOM 150 CA SER A 8 -1.665 9.972 5.352 1.00 0.00 C ATOM 151 C SER A 8 -1.320 8.521 5.725 1.00 0.00 C ATOM 152 O SER A 8 -2.109 7.763 6.304 1.00 0.00 O ATOM 153 CB SER A 8 -2.171 10.774 6.543 1.00 0.00 C ATOM 154 OG SER A 8 -1.148 10.957 7.514 1.00 0.00 O ATOM 0 H SER A 8 -3.119 8.885 4.306 1.00 0.00 H new ATOM 0 HA SER A 8 -0.820 10.589 5.045 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.531 11.745 6.204 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.019 10.260 6.997 1.00 0.00 H new ATOM 0 HG SER A 8 -1.500 11.477 8.267 1.00 0.00 H new ATOM 160 N ILE A 9 -0.101 8.181 5.333 1.00 0.00 N ATOM 161 CA ILE A 9 0.446 6.812 5.435 1.00 0.00 C ATOM 162 C ILE A 9 1.279 6.799 6.756 1.00 0.00 C ATOM 163 O ILE A 9 2.472 7.123 6.752 1.00 0.00 O ATOM 164 CB ILE A 9 1.255 6.431 4.136 1.00 0.00 C ATOM 165 CG1 ILE A 9 0.804 6.998 2.757 1.00 0.00 C ATOM 166 CG2 ILE A 9 1.295 4.893 4.017 1.00 0.00 C ATOM 167 CD1 ILE A 9 1.747 6.749 1.564 1.00 0.00 C ATOM 0 H ILE A 9 0.555 8.849 4.928 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.324 6.042 5.488 1.00 0.00 H new ATOM 0 HB ILE A 9 2.216 6.915 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.170 6.571 2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.664 8.074 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.851 4.612 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.784 4.473 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.278 4.507 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.320 7.192 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.717 7.202 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.871 5.676 1.416 1.00 0.00 H new ATOM 179 N GLU A 10 0.626 6.460 7.887 1.00 0.00 N ATOM 180 CA GLU A 10 1.252 6.525 9.235 1.00 0.00 C ATOM 181 C GLU A 10 1.797 5.112 9.575 1.00 0.00 C ATOM 182 O GLU A 10 2.786 4.708 8.954 1.00 0.00 O ATOM 183 CB GLU A 10 0.251 7.190 10.232 1.00 0.00 C ATOM 184 CG GLU A 10 -0.042 8.684 9.966 1.00 0.00 C ATOM 185 CD GLU A 10 -1.105 9.262 10.901 1.00 0.00 C ATOM 186 OE1 GLU A 10 -0.843 9.792 11.980 1.00 0.00 O ATOM 187 OE2 GLU A 10 -2.373 9.120 10.395 1.00 0.00 O ATOM 0 H GLU A 10 -0.341 6.136 7.898 1.00 0.00 H new ATOM 0 HA GLU A 10 2.126 7.174 9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.689 6.640 10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.646 7.087 11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.880 9.254 10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.370 8.806 8.934 1.00 0.00 H new ATOM 195 N THR A 11 1.250 4.400 10.581 1.00 0.00 N ATOM 196 CA THR A 11 1.652 2.998 10.889 1.00 0.00 C ATOM 197 C THR A 11 0.839 1.996 10.025 1.00 0.00 C ATOM 198 O THR A 11 1.380 1.485 9.046 1.00 0.00 O ATOM 199 CB THR A 11 1.710 2.675 12.415 1.00 0.00 C ATOM 200 OG1 THR A 11 2.385 3.709 13.127 1.00 0.00 O ATOM 201 CG2 THR A 11 2.427 1.352 12.743 1.00 0.00 C ATOM 0 H THR A 11 0.527 4.767 11.199 1.00 0.00 H new ATOM 0 HA THR A 11 2.694 2.876 10.593 1.00 0.00 H new ATOM 0 HB THR A 11 0.667 2.590 12.722 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.409 3.487 14.081 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.427 1.196 13.822 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.907 0.526 12.257 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.455 1.396 12.382 1.00 0.00 H new ATOM 209 N ASN A 12 -0.440 1.752 10.383 1.00 0.00 N ATOM 210 CA ASN A 12 -1.317 0.717 9.761 1.00 0.00 C ATOM 211 C ASN A 12 -1.489 0.766 8.220 1.00 0.00 C ATOM 212 O ASN A 12 -1.271 -0.304 7.653 1.00 0.00 O ATOM 213 CB ASN A 12 -2.652 0.666 10.547 1.00 0.00 C ATOM 214 CG ASN A 12 -3.599 -0.501 10.195 1.00 0.00 C ATOM 215 OD1 ASN A 12 -4.491 -0.368 9.358 1.00 0.00 O ATOM 216 ND2 ASN A 12 -3.420 -1.660 10.812 1.00 0.00 N ATOM 0 H ASN A 12 -0.907 2.274 11.125 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.790 -0.232 9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.423 0.613 11.611 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.184 1.603 10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.025 -2.452 10.595 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.678 -1.760 11.504 1.00 0.00 H new ATOM 223 N ILE A 13 -1.860 1.866 7.504 1.00 0.00 N ATOM 224 CA ILE A 13 -1.841 1.814 6.004 1.00 0.00 C ATOM 225 C ILE A 13 -0.404 1.808 5.359 1.00 0.00 C ATOM 226 O ILE A 13 -0.294 1.643 4.152 1.00 0.00 O ATOM 227 CB ILE A 13 -2.942 2.615 5.227 1.00 0.00 C ATOM 228 CG1 ILE A 13 -3.377 1.959 3.887 1.00 0.00 C ATOM 229 CG2 ILE A 13 -2.565 4.070 4.907 1.00 0.00 C ATOM 230 CD1 ILE A 13 -3.162 0.472 3.589 1.00 0.00 C ATOM 0 H ILE A 13 -2.160 2.753 7.907 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.209 0.803 5.828 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.768 2.598 5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.445 2.147 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.876 2.512 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.384 4.548 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.377 4.610 5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.667 4.086 4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.544 0.241 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.097 0.243 3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.691 -0.128 4.329 1.00 0.00 H new ATOM 242 N ARG A 14 0.697 2.022 6.094 1.00 0.00 N ATOM 243 CA ARG A 14 2.081 1.767 5.592 1.00 0.00 C ATOM 244 C ARG A 14 2.471 0.258 5.691 1.00 0.00 C ATOM 245 O ARG A 14 3.115 -0.246 4.777 1.00 0.00 O ATOM 246 CB ARG A 14 3.053 2.625 6.459 1.00 0.00 C ATOM 247 CG ARG A 14 4.410 3.024 5.852 1.00 0.00 C ATOM 248 CD ARG A 14 4.401 4.288 4.963 1.00 0.00 C ATOM 249 NE ARG A 14 5.774 4.806 4.761 1.00 0.00 N ATOM 250 CZ ARG A 14 6.096 5.842 3.966 1.00 0.00 C ATOM 251 NH1 ARG A 14 5.214 6.523 3.238 1.00 0.00 N ATOM 252 NH2 ARG A 14 7.363 6.206 3.908 1.00 0.00 N ATOM 0 H ARG A 14 0.668 2.375 7.051 1.00 0.00 H new ATOM 0 HA ARG A 14 2.140 2.038 4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.531 3.540 6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.249 2.077 7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.119 3.179 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.782 2.188 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.951 4.055 3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.783 5.057 5.425 1.00 0.00 H new ATOM 0 HE ARG A 14 6.532 4.342 5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.227 6.268 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.525 7.300 2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.063 5.706 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.642 6.988 3.315 1.00 0.00 H new ATOM 265 N VAL A 15 2.117 -0.407 6.815 1.00 0.00 N ATOM 266 CA VAL A 15 2.303 -1.874 7.055 1.00 0.00 C ATOM 267 C VAL A 15 1.361 -2.742 6.197 1.00 0.00 C ATOM 268 O VAL A 15 1.811 -3.712 5.602 1.00 0.00 O ATOM 269 CB VAL A 15 2.154 -2.324 8.552 1.00 0.00 C ATOM 270 CG1 VAL A 15 3.400 -2.040 9.372 1.00 0.00 C ATOM 271 CG2 VAL A 15 0.967 -1.855 9.352 1.00 0.00 C ATOM 0 H VAL A 15 1.682 0.066 7.607 1.00 0.00 H new ATOM 0 HA VAL A 15 3.340 -2.036 6.759 1.00 0.00 H new ATOM 0 HB VAL A 15 1.981 -3.388 8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.243 -2.371 10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.247 -2.576 8.944 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.605 -0.970 9.363 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.026 -2.261 10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.966 -0.766 9.398 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.049 -2.199 8.876 1.00 0.00 H new ATOM 281 N ALA A 16 0.065 -2.412 6.185 1.00 0.00 N ATOM 282 CA ALA A 16 -0.933 -3.023 5.268 1.00 0.00 C ATOM 283 C ALA A 16 -0.587 -2.790 3.764 1.00 0.00 C ATOM 284 O ALA A 16 -0.826 -3.702 2.970 1.00 0.00 O ATOM 285 CB ALA A 16 -2.348 -2.548 5.627 1.00 0.00 C ATOM 0 H ALA A 16 -0.334 -1.711 6.810 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.897 -4.103 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.068 -3.003 4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.581 -2.840 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.401 -1.463 5.538 1.00 0.00 H new ATOM 291 N LEU A 17 -0.005 -1.623 3.378 1.00 0.00 N ATOM 292 CA LEU A 17 0.588 -1.443 2.027 1.00 0.00 C ATOM 293 C LEU A 17 1.943 -2.176 1.836 1.00 0.00 C ATOM 294 O LEU A 17 2.258 -2.552 0.707 1.00 0.00 O ATOM 295 CB LEU A 17 0.679 0.055 1.648 1.00 0.00 C ATOM 296 CG LEU A 17 -0.644 0.723 1.178 1.00 0.00 C ATOM 297 CD1 LEU A 17 -0.526 2.070 0.469 1.00 0.00 C ATOM 298 CD2 LEU A 17 -1.639 -0.163 0.392 1.00 0.00 C ATOM 0 H LEU A 17 0.065 -0.801 3.978 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.098 -1.925 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.053 0.605 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.419 0.164 0.855 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.065 0.900 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.519 2.425 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.054 2.792 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.080 1.956 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.517 0.425 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.160 -0.532 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.942 -1.007 1.011 1.00 0.00 H new ATOM 310 N GLU A 18 2.743 -2.399 2.891 1.00 0.00 N ATOM 311 CA GLU A 18 3.944 -3.263 2.818 1.00 0.00 C ATOM 312 C GLU A 18 3.572 -4.778 2.667 1.00 0.00 C ATOM 313 O GLU A 18 4.082 -5.491 1.809 1.00 0.00 O ATOM 314 CB GLU A 18 5.022 -2.835 3.861 1.00 0.00 C ATOM 315 CG GLU A 18 5.790 -3.875 4.710 1.00 0.00 C ATOM 316 CD GLU A 18 5.253 -4.063 6.126 1.00 0.00 C ATOM 317 OE1 GLU A 18 4.410 -4.905 6.430 1.00 0.00 O ATOM 318 OE2 GLU A 18 5.829 -3.188 7.011 1.00 0.00 O ATOM 0 H GLU A 18 2.583 -1.992 3.813 1.00 0.00 H new ATOM 0 HA GLU A 18 4.481 -3.099 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.770 -2.254 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.533 -2.156 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.763 -4.835 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.836 -3.574 4.770 1.00 0.00 H new ATOM 326 N LYS A 19 2.629 -5.276 3.456 1.00 0.00 N ATOM 327 CA LYS A 19 2.205 -6.699 3.461 1.00 0.00 C ATOM 328 C LYS A 19 1.301 -7.190 2.277 1.00 0.00 C ATOM 329 O LYS A 19 1.279 -8.384 1.968 1.00 0.00 O ATOM 330 CB LYS A 19 1.664 -6.809 4.920 1.00 0.00 C ATOM 331 CG LYS A 19 1.346 -8.152 5.587 1.00 0.00 C ATOM 332 CD LYS A 19 1.144 -7.919 7.113 1.00 0.00 C ATOM 333 CE LYS A 19 0.585 -9.156 7.836 1.00 0.00 C ATOM 334 NZ LYS A 19 0.416 -8.909 9.279 1.00 0.00 N ATOM 0 H LYS A 19 2.118 -4.704 4.129 1.00 0.00 H new ATOM 0 HA LYS A 19 2.998 -7.414 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.391 -6.309 5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.748 -6.219 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.448 -8.587 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.158 -8.859 5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.097 -7.641 7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.465 -7.079 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.374 -9.432 7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.258 -10.001 7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.037 -9.763 9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.336 -8.670 9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.245 -8.119 9.421 1.00 0.00 H new ATOM 347 N SER A 20 0.621 -6.253 1.599 1.00 0.00 N ATOM 348 CA SER A 20 -0.052 -6.435 0.277 1.00 0.00 C ATOM 349 C SER A 20 0.846 -6.974 -0.879 1.00 0.00 C ATOM 350 O SER A 20 0.497 -7.926 -1.581 1.00 0.00 O ATOM 351 CB SER A 20 -0.638 -5.051 -0.018 1.00 0.00 C ATOM 352 OG SER A 20 0.308 -4.016 -0.054 1.00 0.00 O ATOM 0 H SER A 20 0.513 -5.305 1.960 1.00 0.00 H new ATOM 0 HA SER A 20 -0.800 -7.226 0.334 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.156 -5.086 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.385 -4.817 0.740 1.00 0.00 H new ATOM 0 HG SER A 20 0.230 -3.531 -0.902 1.00 0.00 H new ATOM 358 N PHE A 21 2.007 -6.333 -1.024 1.00 0.00 N ATOM 359 CA PHE A 21 3.105 -6.705 -1.945 1.00 0.00 C ATOM 360 C PHE A 21 3.756 -8.105 -1.662 1.00 0.00 C ATOM 361 O PHE A 21 4.137 -8.827 -2.582 1.00 0.00 O ATOM 362 CB PHE A 21 4.110 -5.562 -1.682 1.00 0.00 C ATOM 363 CG PHE A 21 5.314 -5.425 -2.634 1.00 0.00 C ATOM 364 CD1 PHE A 21 6.502 -6.089 -2.332 1.00 0.00 C ATOM 365 CD2 PHE A 21 5.297 -4.421 -3.605 1.00 0.00 C ATOM 366 CE1 PHE A 21 7.679 -5.704 -2.947 1.00 0.00 C ATOM 367 CE2 PHE A 21 6.481 -4.048 -4.231 1.00 0.00 C ATOM 368 CZ PHE A 21 7.677 -4.674 -3.883 1.00 0.00 C ATOM 0 H PHE A 21 2.227 -5.499 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 21 2.762 -6.810 -2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.559 -4.622 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.496 -5.683 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.503 -6.901 -1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.368 -3.937 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.604 -6.205 -2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.474 -3.275 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.603 -4.359 -4.340 1.00 0.00 H new ATOM 378 N LEU A 22 3.901 -8.449 -0.372 1.00 0.00 N ATOM 379 CA LEU A 22 4.409 -9.764 0.115 1.00 0.00 C ATOM 380 C LEU A 22 3.497 -11.007 -0.179 1.00 0.00 C ATOM 381 O LEU A 22 3.987 -12.138 -0.126 1.00 0.00 O ATOM 382 CB LEU A 22 4.786 -9.648 1.605 1.00 0.00 C ATOM 383 CG LEU A 22 5.840 -8.552 1.936 1.00 0.00 C ATOM 384 CD1 LEU A 22 6.104 -8.552 3.430 1.00 0.00 C ATOM 385 CD2 LEU A 22 7.176 -8.660 1.174 1.00 0.00 C ATOM 0 H LEU A 22 3.665 -7.812 0.389 1.00 0.00 H new ATOM 0 HA LEU A 22 5.297 -9.980 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.881 -9.445 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.168 -10.611 1.943 1.00 0.00 H new ATOM 0 HG LEU A 22 5.400 -7.613 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.842 -7.786 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.177 -8.342 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.483 -9.528 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.836 -7.848 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.648 -9.616 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.990 -8.592 0.102 1.00 0.00 H new ATOM 397 N GLU A 23 2.208 -10.795 -0.531 1.00 0.00 N ATOM 398 CA GLU A 23 1.271 -11.857 -0.987 1.00 0.00 C ATOM 399 C GLU A 23 1.529 -12.053 -2.516 1.00 0.00 C ATOM 400 O GLU A 23 2.001 -13.119 -2.920 1.00 0.00 O ATOM 401 CB GLU A 23 -0.179 -11.434 -0.597 1.00 0.00 C ATOM 402 CG GLU A 23 -1.256 -12.541 -0.651 1.00 0.00 C ATOM 403 CD GLU A 23 -1.667 -12.990 -2.058 1.00 0.00 C ATOM 404 OE1 GLU A 23 -1.361 -14.082 -2.535 1.00 0.00 O ATOM 405 OE2 GLU A 23 -2.403 -12.038 -2.714 1.00 0.00 O ATOM 0 H GLU A 23 1.780 -9.869 -0.507 1.00 0.00 H new ATOM 0 HA GLU A 23 1.423 -12.826 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.156 -11.029 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.488 -10.624 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.888 -13.409 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.144 -12.187 -0.127 1.00 0.00 H new ATOM 413 N ASN A 24 1.245 -11.019 -3.332 1.00 0.00 N ATOM 414 CA ASN A 24 1.636 -10.961 -4.766 1.00 0.00 C ATOM 415 C ASN A 24 2.373 -9.605 -4.947 1.00 0.00 C ATOM 416 O ASN A 24 1.914 -8.552 -4.488 1.00 0.00 O ATOM 417 CB ASN A 24 0.477 -11.033 -5.789 1.00 0.00 C ATOM 418 CG ASN A 24 -0.505 -12.200 -5.700 1.00 0.00 C ATOM 419 OD1 ASN A 24 -0.202 -13.302 -5.241 1.00 0.00 O ATOM 420 ND2 ASN A 24 -1.693 -11.978 -6.223 1.00 0.00 N ATOM 0 H ASN A 24 0.735 -10.193 -3.019 1.00 0.00 H new ATOM 0 HA ASN A 24 2.239 -11.844 -4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.097 -10.110 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.916 -11.045 -6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.385 -12.727 -6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.922 -11.057 -6.597 1.00 0.00 H new ATOM 427 N GLN A 25 3.519 -9.658 -5.634 1.00 0.00 N ATOM 428 CA GLN A 25 4.369 -8.452 -5.924 1.00 0.00 C ATOM 429 C GLN A 25 3.862 -7.513 -7.059 1.00 0.00 C ATOM 430 O GLN A 25 4.135 -6.310 -7.017 1.00 0.00 O ATOM 431 CB GLN A 25 5.846 -8.857 -6.161 1.00 0.00 C ATOM 432 CG GLN A 25 6.866 -8.136 -5.263 1.00 0.00 C ATOM 433 CD GLN A 25 8.328 -8.467 -5.595 1.00 0.00 C ATOM 434 OE1 GLN A 25 9.012 -7.710 -6.285 1.00 0.00 O ATOM 435 NE2 GLN A 25 8.842 -9.587 -5.108 1.00 0.00 N ATOM 0 H GLN A 25 3.900 -10.525 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 25 4.287 -7.848 -5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.943 -9.932 -6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.099 -8.661 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.718 -7.060 -5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.671 -8.399 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.266 -10.207 -4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.813 -9.830 -5.303 1.00 0.00 H new ATOM 444 N LYS A 26 3.127 -8.066 -8.040 1.00 0.00 N ATOM 445 CA LYS A 26 2.414 -7.290 -9.087 1.00 0.00 C ATOM 446 C LYS A 26 0.887 -7.356 -8.817 1.00 0.00 C ATOM 447 O LYS A 26 0.183 -8.008 -9.598 1.00 0.00 O ATOM 448 CB LYS A 26 2.900 -7.790 -10.478 1.00 0.00 C ATOM 449 CG LYS A 26 2.460 -6.915 -11.675 1.00 0.00 C ATOM 450 CD LYS A 26 2.880 -7.444 -13.062 1.00 0.00 C ATOM 451 CE LYS A 26 2.092 -8.682 -13.534 1.00 0.00 C ATOM 452 NZ LYS A 26 2.491 -9.091 -14.892 1.00 0.00 N ATOM 0 H LYS A 26 3.006 -9.074 -8.135 1.00 0.00 H new ATOM 0 HA LYS A 26 2.644 -6.225 -9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.989 -7.845 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.531 -8.804 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.375 -6.817 -11.654 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.873 -5.915 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.755 -6.647 -13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.941 -7.691 -13.038 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.259 -9.507 -12.841 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.024 -8.463 -13.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.942 -9.926 -15.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.309 -8.312 -15.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.505 -9.324 -14.901 1.00 0.00 H new ATOM 465 N PRO A 27 0.307 -6.671 -7.777 1.00 0.00 N ATOM 466 CA PRO A 27 -1.157 -6.529 -7.652 1.00 0.00 C ATOM 467 C PRO A 27 -1.472 -5.172 -8.360 1.00 0.00 C ATOM 468 O PRO A 27 -1.750 -4.196 -7.651 1.00 0.00 O ATOM 469 CB PRO A 27 -1.272 -6.495 -6.109 1.00 0.00 C ATOM 470 CG PRO A 27 -0.091 -5.632 -5.678 1.00 0.00 C ATOM 471 CD PRO A 27 1.017 -6.035 -6.626 1.00 0.00 C ATOM 0 HA PRO A 27 -1.828 -7.273 -8.082 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.221 -6.065 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.214 -7.496 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.321 -4.570 -5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.183 -5.819 -4.640 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.600 -5.171 -6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.711 -6.730 -6.154 1.00 0.00 H new ATOM 479 N THR A 28 -1.427 -5.058 -9.710 1.00 0.00 N ATOM 480 CA THR A 28 -1.435 -3.721 -10.353 1.00 0.00 C ATOM 481 C THR A 28 -2.787 -3.051 -10.625 1.00 0.00 C ATOM 482 O THR A 28 -3.674 -3.192 -9.790 1.00 0.00 O ATOM 483 CB THR A 28 -0.250 -3.555 -11.363 1.00 0.00 C ATOM 484 OG1 THR A 28 -0.331 -4.535 -12.394 1.00 0.00 O ATOM 485 CG2 THR A 28 1.145 -3.604 -10.717 1.00 0.00 C ATOM 0 H THR A 28 -1.386 -5.846 -10.356 1.00 0.00 H new ATOM 0 HA THR A 28 -1.194 -3.001 -9.571 1.00 0.00 H new ATOM 0 HB THR A 28 -0.363 -2.553 -11.777 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.416 -4.416 -13.018 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.907 -3.481 -11.487 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.236 -2.801 -9.985 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.282 -4.565 -10.220 1.00 0.00 H new ATOM 493 N SER A 29 -2.916 -2.237 -11.683 1.00 0.00 N ATOM 494 CA SER A 29 -4.057 -1.302 -11.868 1.00 0.00 C ATOM 495 C SER A 29 -5.513 -1.737 -11.540 1.00 0.00 C ATOM 496 O SER A 29 -6.285 -0.913 -11.038 1.00 0.00 O ATOM 497 CB SER A 29 -3.999 -0.784 -13.322 1.00 0.00 C ATOM 498 OG SER A 29 -3.012 0.229 -13.468 1.00 0.00 O ATOM 0 H SER A 29 -2.235 -2.202 -12.441 1.00 0.00 H new ATOM 0 HA SER A 29 -3.887 -0.562 -11.086 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.778 -1.611 -13.997 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.974 -0.390 -13.610 1.00 0.00 H new ATOM 0 HG SER A 29 -2.995 0.538 -14.398 1.00 0.00 H new ATOM 504 N GLU A 30 -5.868 -3.000 -11.822 1.00 0.00 N ATOM 505 CA GLU A 30 -7.216 -3.542 -11.420 1.00 0.00 C ATOM 506 C GLU A 30 -7.287 -3.857 -9.893 1.00 0.00 C ATOM 507 O GLU A 30 -8.261 -3.516 -9.219 1.00 0.00 O ATOM 508 CB GLU A 30 -7.618 -4.770 -12.278 1.00 0.00 C ATOM 509 CG GLU A 30 -7.923 -4.453 -13.758 1.00 0.00 C ATOM 510 CD GLU A 30 -8.364 -5.689 -14.546 1.00 0.00 C ATOM 511 OE1 GLU A 30 -9.541 -6.016 -14.688 1.00 0.00 O ATOM 512 OE2 GLU A 30 -7.300 -6.380 -15.066 1.00 0.00 O ATOM 0 H GLU A 30 -5.272 -3.666 -12.313 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.946 -2.757 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.813 -5.504 -12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.497 -5.235 -11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.705 -3.696 -13.810 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.035 -4.027 -14.225 1.00 0.00 H new ATOM 520 N GLU A 31 -6.230 -4.495 -9.377 1.00 0.00 N ATOM 521 CA GLU A 31 -6.008 -4.749 -7.941 1.00 0.00 C ATOM 522 C GLU A 31 -5.835 -3.490 -7.025 1.00 0.00 C ATOM 523 O GLU A 31 -6.228 -3.571 -5.863 1.00 0.00 O ATOM 524 CB GLU A 31 -4.737 -5.631 -7.893 1.00 0.00 C ATOM 525 CG GLU A 31 -4.708 -6.639 -6.719 1.00 0.00 C ATOM 526 CD GLU A 31 -5.849 -7.665 -6.695 1.00 0.00 C ATOM 527 OE1 GLU A 31 -5.952 -8.584 -7.508 1.00 0.00 O ATOM 528 OE2 GLU A 31 -6.733 -7.434 -5.672 1.00 0.00 O ATOM 0 H GLU A 31 -5.480 -4.862 -9.962 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.904 -5.215 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.654 -6.180 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.862 -4.984 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.761 -7.177 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.727 -6.080 -5.784 1.00 0.00 H new ATOM 536 N ILE A 32 -5.280 -2.349 -7.515 1.00 0.00 N ATOM 537 CA ILE A 32 -5.213 -1.037 -6.776 1.00 0.00 C ATOM 538 C ILE A 32 -6.639 -0.638 -6.244 1.00 0.00 C ATOM 539 O ILE A 32 -6.799 -0.368 -5.051 1.00 0.00 O ATOM 540 CB ILE A 32 -4.472 0.028 -7.696 1.00 0.00 C ATOM 541 CG1 ILE A 32 -2.957 0.190 -7.384 1.00 0.00 C ATOM 542 CG2 ILE A 32 -5.024 1.475 -7.733 1.00 0.00 C ATOM 543 CD1 ILE A 32 -2.061 -0.979 -7.769 1.00 0.00 C ATOM 0 H ILE A 32 -4.859 -2.303 -8.443 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.611 -1.102 -5.869 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.666 -0.443 -8.660 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.595 1.082 -7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.845 0.369 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.414 2.080 -8.403 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.053 1.463 -8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.994 1.902 -6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.029 -0.750 -7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.382 -1.874 -7.237 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.129 -1.151 -8.843 1.00 0.00 H new ATOM 555 N THR A 33 -7.646 -0.692 -7.139 1.00 0.00 N ATOM 556 CA THR A 33 -9.092 -0.550 -6.813 1.00 0.00 C ATOM 557 C THR A 33 -9.628 -1.542 -5.738 1.00 0.00 C ATOM 558 O THR A 33 -10.214 -1.090 -4.750 1.00 0.00 O ATOM 559 CB THR A 33 -9.868 -0.543 -8.177 1.00 0.00 C ATOM 560 OG1 THR A 33 -9.693 0.729 -8.794 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.384 -0.816 -8.098 1.00 0.00 C ATOM 0 H THR A 33 -7.479 -0.839 -8.135 1.00 0.00 H new ATOM 0 HA THR A 33 -9.264 0.394 -6.296 1.00 0.00 H new ATOM 0 HB THR A 33 -9.443 -1.371 -8.744 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.172 0.747 -9.649 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.812 -0.786 -9.100 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.554 -1.800 -7.660 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.859 -0.056 -7.478 1.00 0.00 H new ATOM 569 N MET A 34 -9.440 -2.857 -5.925 1.00 0.00 N ATOM 570 CA MET A 34 -9.888 -3.896 -4.963 1.00 0.00 C ATOM 571 C MET A 34 -9.274 -3.796 -3.528 1.00 0.00 C ATOM 572 O MET A 34 -9.997 -3.983 -2.546 1.00 0.00 O ATOM 573 CB MET A 34 -9.575 -5.261 -5.623 1.00 0.00 C ATOM 574 CG MET A 34 -10.333 -5.617 -6.916 1.00 0.00 C ATOM 575 SD MET A 34 -9.751 -7.221 -7.506 1.00 0.00 S ATOM 576 CE MET A 34 -10.183 -7.123 -9.254 1.00 0.00 C ATOM 0 H MET A 34 -8.973 -3.239 -6.747 1.00 0.00 H new ATOM 0 HA MET A 34 -10.953 -3.756 -4.777 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.507 -5.293 -5.840 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.775 -6.043 -4.890 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.406 -5.650 -6.728 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.166 -4.852 -7.675 1.00 0.00 H new ATOM 0 HE1 MET A 34 -9.885 -8.044 -9.755 1.00 0.00 H new ATOM 0 HE2 MET A 34 -11.260 -6.987 -9.356 1.00 0.00 H new ATOM 0 HE3 MET A 34 -9.666 -6.279 -9.710 1.00 0.00 H new ATOM 586 N ILE A 35 -7.967 -3.476 -3.419 1.00 0.00 N ATOM 587 CA ILE A 35 -7.258 -3.199 -2.130 1.00 0.00 C ATOM 588 C ILE A 35 -7.881 -1.977 -1.409 1.00 0.00 C ATOM 589 O ILE A 35 -8.244 -2.111 -0.239 1.00 0.00 O ATOM 590 CB ILE A 35 -5.707 -2.992 -2.373 1.00 0.00 C ATOM 591 CG1 ILE A 35 -5.029 -4.258 -2.952 1.00 0.00 C ATOM 592 CG2 ILE A 35 -4.894 -2.509 -1.135 1.00 0.00 C ATOM 593 CD1 ILE A 35 -3.668 -4.051 -3.615 1.00 0.00 C ATOM 0 H ILE A 35 -7.356 -3.399 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.381 -4.066 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.682 -2.182 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.911 -4.982 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.703 -4.703 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.845 -2.399 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.283 -1.549 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.985 -3.241 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.293 -5.006 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.772 -3.357 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.967 -3.641 -2.887 1.00 0.00 H new ATOM 605 N ALA A 36 -8.001 -0.821 -2.094 1.00 0.00 N ATOM 606 CA ALA A 36 -8.630 0.384 -1.485 1.00 0.00 C ATOM 607 C ALA A 36 -10.096 0.231 -0.997 1.00 0.00 C ATOM 608 O ALA A 36 -10.453 0.800 0.039 1.00 0.00 O ATOM 609 CB ALA A 36 -8.536 1.547 -2.465 1.00 0.00 C ATOM 0 H ALA A 36 -7.679 -0.690 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.061 0.562 -0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.995 2.432 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.489 1.753 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.057 1.289 -3.387 1.00 0.00 H new ATOM 615 N ASP A 37 -10.917 -0.544 -1.734 1.00 0.00 N ATOM 616 CA ASP A 37 -12.311 -0.860 -1.344 1.00 0.00 C ATOM 617 C ASP A 37 -12.408 -1.758 -0.073 1.00 0.00 C ATOM 618 O ASP A 37 -13.258 -1.490 0.782 1.00 0.00 O ATOM 619 CB ASP A 37 -13.016 -1.541 -2.552 1.00 0.00 C ATOM 620 CG ASP A 37 -14.519 -1.250 -2.614 1.00 0.00 C ATOM 621 OD1 ASP A 37 -15.360 -1.884 -1.978 1.00 0.00 O ATOM 622 OD2 ASP A 37 -14.808 -0.205 -3.454 1.00 0.00 O ATOM 0 H ASP A 37 -10.635 -0.970 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.808 0.074 -1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.548 -1.202 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.863 -2.619 -2.494 1.00 0.00 H new ATOM 628 N GLN A 38 -11.544 -2.796 0.050 1.00 0.00 N ATOM 629 CA GLN A 38 -11.426 -3.613 1.301 1.00 0.00 C ATOM 630 C GLN A 38 -10.631 -2.886 2.466 1.00 0.00 C ATOM 631 O GLN A 38 -10.002 -3.533 3.309 1.00 0.00 O ATOM 632 CB GLN A 38 -10.738 -4.944 0.863 1.00 0.00 C ATOM 633 CG GLN A 38 -11.020 -6.145 1.796 1.00 0.00 C ATOM 634 CD GLN A 38 -10.270 -7.417 1.370 1.00 0.00 C ATOM 635 OE1 GLN A 38 -9.100 -7.609 1.700 1.00 0.00 O ATOM 636 NE2 GLN A 38 -10.918 -8.309 0.634 1.00 0.00 N ATOM 0 H GLN A 38 -10.916 -3.093 -0.697 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.411 -3.785 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.070 -5.196 -0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.661 -4.783 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.734 -5.883 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.091 -6.347 1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.888 -8.141 0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.447 -9.163 0.336 1.00 0.00 H new ATOM 645 N LEU A 39 -10.653 -1.536 2.502 1.00 0.00 N ATOM 646 CA LEU A 39 -9.844 -0.681 3.408 1.00 0.00 C ATOM 647 C LEU A 39 -10.648 0.664 3.572 1.00 0.00 C ATOM 648 O LEU A 39 -11.879 0.744 3.466 1.00 0.00 O ATOM 649 CB LEU A 39 -8.456 -0.544 2.664 1.00 0.00 C ATOM 650 CG LEU A 39 -7.109 -0.409 3.420 1.00 0.00 C ATOM 651 CD1 LEU A 39 -5.956 -0.403 2.398 1.00 0.00 C ATOM 652 CD2 LEU A 39 -6.959 0.747 4.429 1.00 0.00 C ATOM 0 H LEU A 39 -11.252 -0.990 1.883 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.662 -1.057 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.363 -1.416 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.536 0.328 2.014 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.079 -1.283 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.005 -0.308 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.967 -1.334 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.079 0.438 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.966 0.712 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.092 1.699 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.713 0.649 5.210 1.00 0.00 H new ATOM 664 N ASN A 40 -9.900 1.730 3.862 1.00 0.00 N ATOM 665 CA ASN A 40 -10.347 3.136 3.814 1.00 0.00 C ATOM 666 C ASN A 40 -9.061 3.845 3.291 1.00 0.00 C ATOM 667 O ASN A 40 -8.311 4.437 4.073 1.00 0.00 O ATOM 668 CB ASN A 40 -10.850 3.608 5.201 1.00 0.00 C ATOM 669 CG ASN A 40 -11.411 5.025 5.217 1.00 0.00 C ATOM 670 OD1 ASN A 40 -12.047 5.501 4.279 1.00 0.00 O ATOM 671 ND2 ASN A 40 -11.270 5.665 6.356 1.00 0.00 N ATOM 0 H ASN A 40 -8.925 1.641 4.149 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.208 3.343 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.622 2.921 5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.027 3.548 5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.695 6.584 6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.736 5.243 7.116 1.00 0.00 H new ATOM 678 N MET A 41 -8.800 3.725 1.971 1.00 0.00 N ATOM 679 CA MET A 41 -7.520 4.176 1.355 1.00 0.00 C ATOM 680 C MET A 41 -7.784 5.018 0.067 1.00 0.00 C ATOM 681 O MET A 41 -8.666 4.662 -0.723 1.00 0.00 O ATOM 682 CB MET A 41 -6.762 2.881 0.914 1.00 0.00 C ATOM 683 CG MET A 41 -5.233 2.910 1.050 1.00 0.00 C ATOM 684 SD MET A 41 -4.461 4.354 0.311 1.00 0.00 S ATOM 685 CE MET A 41 -3.737 5.097 1.771 1.00 0.00 C ATOM 0 H MET A 41 -9.457 3.319 1.305 1.00 0.00 H new ATOM 0 HA MET A 41 -6.962 4.783 2.068 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.142 2.045 1.501 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.009 2.677 -0.128 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.972 2.872 2.108 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.820 2.013 0.588 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.564 6.158 1.592 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.416 4.977 2.615 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.789 4.608 1.996 1.00 0.00 H new ATOM 695 N GLU A 42 -6.996 6.085 -0.200 1.00 0.00 N ATOM 696 CA GLU A 42 -6.979 6.737 -1.553 1.00 0.00 C ATOM 697 C GLU A 42 -6.164 5.857 -2.546 1.00 0.00 C ATOM 698 O GLU A 42 -5.584 4.850 -2.149 1.00 0.00 O ATOM 699 CB GLU A 42 -6.751 8.273 -1.538 1.00 0.00 C ATOM 700 CG GLU A 42 -6.671 9.048 -2.875 1.00 0.00 C ATOM 701 CD GLU A 42 -6.455 10.553 -2.700 1.00 0.00 C ATOM 702 OE1 GLU A 42 -5.343 11.079 -2.686 1.00 0.00 O ATOM 703 OE2 GLU A 42 -7.635 11.238 -2.576 1.00 0.00 O ATOM 0 H GLU A 42 -6.371 6.515 0.482 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.986 6.752 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.556 8.716 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.823 8.459 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.857 8.640 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.591 8.884 -3.436 1.00 0.00 H new ATOM 711 N LYS A 43 -6.272 6.085 -3.855 1.00 0.00 N ATOM 712 CA LYS A 43 -5.440 5.360 -4.884 1.00 0.00 C ATOM 713 C LYS A 43 -4.194 5.946 -5.545 1.00 0.00 C ATOM 714 O LYS A 43 -3.288 5.216 -5.960 1.00 0.00 O ATOM 715 CB LYS A 43 -6.339 4.585 -5.816 1.00 0.00 C ATOM 716 CG LYS A 43 -6.754 3.291 -5.079 1.00 0.00 C ATOM 717 CD LYS A 43 -8.080 2.793 -5.636 1.00 0.00 C ATOM 718 CE LYS A 43 -9.333 3.600 -5.227 1.00 0.00 C ATOM 719 NZ LYS A 43 -10.572 2.919 -5.642 1.00 0.00 N ATOM 0 H LYS A 43 -6.922 6.763 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.845 4.730 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.216 5.174 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.819 4.349 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.986 2.527 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.845 3.482 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.015 2.787 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.219 1.759 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.339 3.742 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.292 4.591 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.394 3.487 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.576 2.806 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.622 1.983 -5.191 1.00 0.00 H new ATOM 732 N GLU A 44 -4.204 7.263 -5.688 1.00 0.00 N ATOM 733 CA GLU A 44 -2.995 8.042 -6.143 1.00 0.00 C ATOM 734 C GLU A 44 -1.744 7.688 -5.257 1.00 0.00 C ATOM 735 O GLU A 44 -0.728 7.209 -5.748 1.00 0.00 O ATOM 736 CB GLU A 44 -3.333 9.559 -6.172 1.00 0.00 C ATOM 737 CG GLU A 44 -2.257 10.496 -6.768 1.00 0.00 C ATOM 738 CD GLU A 44 -1.925 10.242 -8.243 1.00 0.00 C ATOM 739 OE1 GLU A 44 -0.985 9.538 -8.612 1.00 0.00 O ATOM 740 OE2 GLU A 44 -2.794 10.882 -9.090 1.00 0.00 O ATOM 0 H GLU A 44 -5.023 7.842 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.726 7.760 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.254 9.692 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.539 9.882 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.593 11.527 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.343 10.395 -6.182 1.00 0.00 H new ATOM 748 N VAL A 45 -1.984 7.808 -3.951 1.00 0.00 N ATOM 749 CA VAL A 45 -1.191 7.298 -2.802 1.00 0.00 C ATOM 750 C VAL A 45 -0.761 5.791 -2.850 1.00 0.00 C ATOM 751 O VAL A 45 0.413 5.516 -2.615 1.00 0.00 O ATOM 752 CB VAL A 45 -2.123 7.622 -1.583 1.00 0.00 C ATOM 753 CG1 VAL A 45 -3.539 7.085 -1.640 1.00 0.00 C ATOM 754 CG2 VAL A 45 -1.694 7.253 -0.179 1.00 0.00 C ATOM 0 H VAL A 45 -2.812 8.309 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.210 7.771 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.047 8.699 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.076 7.379 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.047 7.492 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.513 5.997 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.466 7.555 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.545 6.175 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.761 7.763 0.062 1.00 0.00 H new ATOM 764 N ILE A 46 -1.688 4.848 -3.120 1.00 0.00 N ATOM 765 CA ILE A 46 -1.370 3.366 -3.204 1.00 0.00 C ATOM 766 C ILE A 46 -0.447 3.017 -4.401 1.00 0.00 C ATOM 767 O ILE A 46 0.564 2.345 -4.219 1.00 0.00 O ATOM 768 CB ILE A 46 -2.474 2.271 -3.185 1.00 0.00 C ATOM 769 CG1 ILE A 46 -3.439 2.552 -2.039 1.00 0.00 C ATOM 770 CG2 ILE A 46 -1.882 0.828 -3.000 1.00 0.00 C ATOM 771 CD1 ILE A 46 -4.689 1.737 -2.180 1.00 0.00 C ATOM 0 H ILE A 46 -2.671 5.065 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.915 3.300 -2.216 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.984 2.305 -4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.957 2.324 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.691 3.612 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.693 0.100 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.202 0.606 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.340 0.775 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.361 1.955 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.181 1.985 -3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.435 0.677 -2.172 1.00 0.00 H new ATOM 783 N ARG A 47 -0.880 3.408 -5.610 1.00 0.00 N ATOM 784 CA ARG A 47 -0.137 3.169 -6.880 1.00 0.00 C ATOM 785 C ARG A 47 1.299 3.795 -6.837 1.00 0.00 C ATOM 786 O ARG A 47 2.248 3.155 -7.279 1.00 0.00 O ATOM 787 CB ARG A 47 -1.005 3.696 -8.054 1.00 0.00 C ATOM 788 CG ARG A 47 -0.540 3.233 -9.452 1.00 0.00 C ATOM 789 CD ARG A 47 -1.519 3.645 -10.565 1.00 0.00 C ATOM 790 NE ARG A 47 -1.027 3.210 -11.893 1.00 0.00 N ATOM 791 CZ ARG A 47 -1.700 3.372 -13.049 1.00 0.00 C ATOM 792 NH1 ARG A 47 -2.903 3.937 -13.136 1.00 0.00 N ATOM 793 NH2 ARG A 47 -1.132 2.948 -14.162 1.00 0.00 N ATOM 0 H ARG A 47 -1.761 3.903 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 47 0.031 2.102 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.035 3.372 -7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.006 4.786 -8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.443 3.655 -9.663 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.429 2.149 -9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.498 3.205 -10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.649 4.727 -10.558 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.115 2.756 -11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.369 4.277 -12.295 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.359 4.029 -14.044 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.210 2.513 -14.130 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.615 3.056 -15.054 1.00 0.00 H new ATOM 806 N VAL A 48 1.425 5.014 -6.263 1.00 0.00 N ATOM 807 CA VAL A 48 2.709 5.684 -5.934 1.00 0.00 C ATOM 808 C VAL A 48 3.492 4.900 -4.822 1.00 0.00 C ATOM 809 O VAL A 48 4.685 4.671 -5.036 1.00 0.00 O ATOM 810 CB VAL A 48 2.386 7.181 -5.599 1.00 0.00 C ATOM 811 CG1 VAL A 48 3.442 7.912 -4.765 1.00 0.00 C ATOM 812 CG2 VAL A 48 2.095 8.020 -6.868 1.00 0.00 C ATOM 0 H VAL A 48 0.613 5.577 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 48 3.398 5.679 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 48 1.491 7.100 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.121 8.939 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.567 7.403 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.391 7.915 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.877 9.049 -6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.966 8.002 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.237 7.600 -7.393 1.00 0.00 H new ATOM 822 N TRP A 49 2.882 4.503 -3.668 1.00 0.00 N ATOM 823 CA TRP A 49 3.573 3.644 -2.647 1.00 0.00 C ATOM 824 C TRP A 49 4.131 2.311 -3.260 1.00 0.00 C ATOM 825 O TRP A 49 5.296 1.978 -3.036 1.00 0.00 O ATOM 826 CB TRP A 49 2.646 3.352 -1.422 1.00 0.00 C ATOM 827 CG TRP A 49 3.378 2.776 -0.190 1.00 0.00 C ATOM 828 CD1 TRP A 49 4.072 3.515 0.793 1.00 0.00 C ATOM 829 CD2 TRP A 49 3.750 1.459 0.018 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.884 2.688 1.594 1.00 0.00 N ATOM 831 CE2 TRP A 49 4.706 1.422 1.062 1.00 0.00 C ATOM 832 CE3 TRP A 49 3.459 0.289 -0.725 1.00 0.00 C ATOM 833 CZ2 TRP A 49 5.445 0.236 1.297 1.00 0.00 C ATOM 834 CZ3 TRP A 49 4.250 -0.845 -0.520 1.00 0.00 C ATOM 835 CH2 TRP A 49 5.228 -0.861 0.461 1.00 0.00 C ATOM 0 H TRP A 49 1.926 4.757 -3.419 1.00 0.00 H new ATOM 0 HA TRP A 49 4.431 4.216 -2.294 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.145 4.276 -1.133 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.870 2.651 -1.728 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.990 4.585 0.916 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.469 2.959 2.384 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.644 0.273 -1.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.160 0.182 2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 4.097 -1.720 -1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.838 -1.744 0.582 1.00 0.00 H new ATOM 846 N PHE A 50 3.288 1.577 -4.015 1.00 0.00 N ATOM 847 CA PHE A 50 3.653 0.340 -4.741 1.00 0.00 C ATOM 848 C PHE A 50 4.762 0.535 -5.831 1.00 0.00 C ATOM 849 O PHE A 50 5.658 -0.307 -5.921 1.00 0.00 O ATOM 850 CB PHE A 50 2.319 -0.276 -5.301 1.00 0.00 C ATOM 851 CG PHE A 50 1.422 -1.203 -4.426 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.911 -1.810 -3.274 1.00 0.00 C ATOM 853 CD2 PHE A 50 0.175 -1.601 -4.907 1.00 0.00 C ATOM 854 CE1 PHE A 50 1.249 -2.874 -2.691 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.530 -2.628 -4.282 1.00 0.00 C ATOM 856 CZ PHE A 50 0.048 -3.328 -3.218 1.00 0.00 C ATOM 0 H PHE A 50 2.309 1.834 -4.141 1.00 0.00 H new ATOM 0 HA PHE A 50 4.129 -0.358 -4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.695 0.558 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.581 -0.841 -6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.824 -1.444 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.248 -1.109 -5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.669 -3.355 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.524 -2.884 -4.620 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.432 -4.207 -2.813 1.00 0.00 H new ATOM 866 N CYS A 51 4.718 1.630 -6.624 1.00 0.00 N ATOM 867 CA CYS A 51 5.801 2.021 -7.580 1.00 0.00 C ATOM 868 C CYS A 51 7.191 2.329 -6.940 1.00 0.00 C ATOM 869 O CYS A 51 8.231 1.983 -7.509 1.00 0.00 O ATOM 870 CB CYS A 51 5.362 3.296 -8.333 1.00 0.00 C ATOM 871 SG CYS A 51 6.353 3.508 -9.850 1.00 0.00 S ATOM 0 H CYS A 51 3.929 2.277 -6.625 1.00 0.00 H new ATOM 0 HA CYS A 51 5.935 1.150 -8.222 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.304 3.230 -8.588 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.481 4.167 -7.688 1.00 0.00 H new ATOM 0 HG CYS A 51 5.970 4.583 -10.472 1.00 0.00 H new ATOM 877 N ASN A 52 7.172 2.934 -5.736 1.00 0.00 N ATOM 878 CA ASN A 52 8.389 3.308 -4.972 1.00 0.00 C ATOM 879 C ASN A 52 8.981 2.046 -4.272 1.00 0.00 C ATOM 880 O ASN A 52 10.163 1.774 -4.502 1.00 0.00 O ATOM 881 CB ASN A 52 8.029 4.456 -3.985 1.00 0.00 C ATOM 882 CG ASN A 52 9.249 5.124 -3.316 1.00 0.00 C ATOM 883 OD1 ASN A 52 9.897 4.553 -2.440 1.00 0.00 O ATOM 884 ND2 ASN A 52 9.581 6.344 -3.709 1.00 0.00 N ATOM 0 H ASN A 52 6.306 3.181 -5.258 1.00 0.00 H new ATOM 0 HA ASN A 52 9.170 3.684 -5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.462 5.217 -4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.375 4.060 -3.208 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.379 6.817 -3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.039 6.811 -4.436 1.00 0.00 H new ATOM 891 N ARG A 53 8.206 1.246 -3.500 1.00 0.00 N ATOM 892 CA ARG A 53 8.687 -0.036 -2.938 1.00 0.00 C ATOM 893 C ARG A 53 9.029 -1.174 -3.962 1.00 0.00 C ATOM 894 O ARG A 53 9.656 -2.148 -3.548 1.00 0.00 O ATOM 895 CB ARG A 53 7.627 -0.465 -1.893 1.00 0.00 C ATOM 896 CG ARG A 53 8.203 -1.324 -0.748 1.00 0.00 C ATOM 897 CD ARG A 53 8.068 -2.818 -0.937 1.00 0.00 C ATOM 898 NE ARG A 53 8.098 -3.661 0.284 1.00 0.00 N ATOM 899 CZ ARG A 53 7.010 -4.261 0.772 1.00 0.00 C ATOM 900 NH1 ARG A 53 5.829 -4.062 0.265 1.00 0.00 N ATOM 901 NH2 ARG A 53 7.067 -5.088 1.789 1.00 0.00 N ATOM 0 H ARG A 53 7.242 1.469 -3.253 1.00 0.00 H new ATOM 0 HA ARG A 53 9.668 0.133 -2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.164 0.427 -1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.839 -1.025 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.259 -1.082 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.706 -1.044 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.129 -3.009 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.871 -3.149 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 53 8.986 -3.787 0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.714 -3.432 -0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.017 -4.536 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.963 -5.290 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.215 -5.529 2.136 1.00 0.00 H new ATOM 914 N ARG A 54 8.711 -1.051 -5.274 1.00 0.00 N ATOM 915 CA ARG A 54 9.009 -2.081 -6.315 1.00 0.00 C ATOM 916 C ARG A 54 10.492 -2.575 -6.375 1.00 0.00 C ATOM 917 O ARG A 54 10.720 -3.787 -6.427 1.00 0.00 O ATOM 918 CB ARG A 54 8.514 -1.561 -7.698 1.00 0.00 C ATOM 919 CG ARG A 54 8.076 -2.660 -8.698 1.00 0.00 C ATOM 920 CD ARG A 54 6.662 -3.239 -8.459 1.00 0.00 C ATOM 921 NE ARG A 54 5.601 -2.270 -8.840 1.00 0.00 N ATOM 922 CZ ARG A 54 4.332 -2.292 -8.394 1.00 0.00 C ATOM 923 NH1 ARG A 54 3.857 -3.193 -7.537 1.00 0.00 N ATOM 924 NH2 ARG A 54 3.509 -1.359 -8.836 1.00 0.00 N ATOM 0 H ARG A 54 8.236 -0.229 -5.648 1.00 0.00 H new ATOM 0 HA ARG A 54 8.462 -2.978 -6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.674 -0.885 -7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.311 -0.974 -8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.118 -2.249 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.798 -3.476 -8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.542 -4.156 -9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.551 -3.506 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 54 5.856 -1.528 -9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.468 -3.926 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.882 -3.150 -7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.843 -0.654 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.539 -1.343 -8.520 1.00 0.00 H new ATOM 937 N GLN A 55 11.470 -1.647 -6.325 1.00 0.00 N ATOM 938 CA GLN A 55 12.920 -1.986 -6.283 1.00 0.00 C ATOM 939 C GLN A 55 13.520 -2.185 -4.840 1.00 0.00 C ATOM 940 O GLN A 55 14.745 -2.289 -4.723 1.00 0.00 O ATOM 941 CB GLN A 55 13.642 -0.882 -7.122 1.00 0.00 C ATOM 942 CG GLN A 55 15.096 -1.150 -7.583 1.00 0.00 C ATOM 943 CD GLN A 55 15.266 -2.358 -8.524 1.00 0.00 C ATOM 944 OE1 GLN A 55 14.893 -2.312 -9.696 1.00 0.00 O ATOM 945 NE2 GLN A 55 15.826 -3.455 -8.037 1.00 0.00 N ATOM 0 H GLN A 55 11.285 -0.644 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 55 13.080 -2.975 -6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.040 -0.692 -8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.642 0.036 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.472 -0.260 -8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.719 -1.304 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.132 -3.483 -7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.952 -4.272 -8.635 1.00 0.00 H new ATOM 954 N LYS A 56 12.718 -2.261 -3.746 1.00 0.00 N ATOM 955 CA LYS A 56 13.226 -2.517 -2.374 1.00 0.00 C ATOM 956 C LYS A 56 12.098 -3.193 -1.571 1.00 0.00 C ATOM 957 O LYS A 56 11.286 -2.612 -0.849 1.00 0.00 O ATOM 958 CB LYS A 56 13.918 -1.371 -1.633 1.00 0.00 C ATOM 959 CG LYS A 56 13.220 0.004 -1.472 1.00 0.00 C ATOM 960 CD LYS A 56 13.285 0.933 -2.701 1.00 0.00 C ATOM 961 CE LYS A 56 12.644 2.306 -2.433 1.00 0.00 C ATOM 962 NZ LYS A 56 12.829 3.224 -3.570 1.00 0.00 N ATOM 0 H LYS A 56 11.705 -2.147 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 56 14.083 -3.182 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.151 -1.732 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.868 -1.191 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.173 -0.167 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.668 0.522 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.326 1.072 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.779 0.456 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.579 2.179 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.083 2.744 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.836 4.205 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.732 3.015 -4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.049 3.100 -4.247 1.00 0.00 H new ATOM 975 N GLU A 57 12.168 -4.492 -1.777 1.00 0.00 N ATOM 976 CA GLU A 57 11.228 -5.519 -1.249 1.00 0.00 C ATOM 977 C GLU A 57 11.259 -5.742 0.285 1.00 0.00 C ATOM 978 O GLU A 57 10.205 -5.762 0.925 1.00 0.00 O ATOM 979 CB GLU A 57 11.478 -6.844 -2.013 1.00 0.00 C ATOM 980 CG GLU A 57 10.976 -6.836 -3.477 1.00 0.00 C ATOM 981 CD GLU A 57 12.025 -7.189 -4.533 1.00 0.00 C ATOM 982 OE1 GLU A 57 12.205 -8.331 -4.954 1.00 0.00 O ATOM 983 OE2 GLU A 57 12.726 -6.087 -4.952 1.00 0.00 O ATOM 0 H GLU A 57 12.911 -4.904 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 57 10.222 -5.137 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.547 -7.057 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.989 -7.657 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.148 -7.539 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.578 -5.846 -3.701 1.00 0.00 H new ATOM 991 N LYS A 58 12.462 -5.908 0.855 1.00 0.00 N ATOM 992 CA LYS A 58 12.658 -6.010 2.339 1.00 0.00 C ATOM 993 C LYS A 58 12.826 -4.640 3.096 1.00 0.00 C ATOM 994 O LYS A 58 13.401 -4.576 4.186 1.00 0.00 O ATOM 995 CB LYS A 58 13.781 -7.043 2.638 1.00 0.00 C ATOM 996 CG LYS A 58 15.225 -6.651 2.228 1.00 0.00 C ATOM 997 CD LYS A 58 16.278 -7.769 2.406 1.00 0.00 C ATOM 998 CE LYS A 58 16.586 -8.220 3.851 1.00 0.00 C ATOM 999 NZ LYS A 58 17.269 -7.186 4.651 1.00 0.00 N ATOM 0 H LYS A 58 13.328 -5.977 0.321 1.00 0.00 H new ATOM 0 HA LYS A 58 11.723 -6.377 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.777 -7.248 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.527 -7.975 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.219 -6.341 1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.532 -5.786 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.945 -8.641 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.209 -7.433 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.654 -8.495 4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.207 -9.115 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.447 -7.550 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.173 -6.939 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.669 -6.339 4.709 1.00 0.00 H new ATOM 1012 N ARG A 59 12.261 -3.570 2.514 1.00 0.00 N ATOM 1013 CA ARG A 59 12.258 -2.183 3.055 1.00 0.00 C ATOM 1014 C ARG A 59 10.879 -1.519 2.731 1.00 0.00 C ATOM 1015 O ARG A 59 10.088 -2.008 1.916 1.00 0.00 O ATOM 1016 CB ARG A 59 13.425 -1.342 2.449 1.00 0.00 C ATOM 1017 CG ARG A 59 14.875 -1.787 2.748 1.00 0.00 C ATOM 1018 CD ARG A 59 15.303 -1.610 4.219 1.00 0.00 C ATOM 1019 NE ARG A 59 16.693 -2.090 4.431 1.00 0.00 N ATOM 1020 CZ ARG A 59 17.046 -3.178 5.145 1.00 0.00 C ATOM 1021 NH1 ARG A 59 16.184 -3.971 5.777 1.00 0.00 N ATOM 1022 NH2 ARG A 59 18.330 -3.476 5.224 1.00 0.00 N ATOM 0 H ARG A 59 11.773 -3.640 1.621 1.00 0.00 H new ATOM 0 HA ARG A 59 12.406 -2.219 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.298 -1.326 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.313 -0.316 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.984 -2.836 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 59 15.555 -1.219 2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.231 -0.559 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.622 -2.160 4.868 1.00 0.00 H new ATOM 0 HE ARG A 59 17.444 -1.551 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.185 -3.771 5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.523 -4.779 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 59 19.019 -2.890 4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.632 -4.292 5.756 1.00 0.00 H new ATOM 1035 N ILE A 60 10.600 -0.361 3.364 1.00 0.00 N ATOM 1036 CA ILE A 60 9.336 0.406 3.149 1.00 0.00 C ATOM 1037 C ILE A 60 9.585 1.375 1.957 1.00 0.00 C ATOM 1038 O ILE A 60 9.256 1.059 0.813 1.00 0.00 O ATOM 1039 CB ILE A 60 8.769 0.958 4.513 1.00 0.00 C ATOM 1040 CG1 ILE A 60 8.353 -0.193 5.488 1.00 0.00 C ATOM 1041 CG2 ILE A 60 7.569 1.916 4.313 1.00 0.00 C ATOM 1042 CD1 ILE A 60 8.029 0.220 6.934 1.00 0.00 C ATOM 0 H ILE A 60 11.233 0.074 4.035 1.00 0.00 H new ATOM 0 HA ILE A 60 8.486 -0.198 2.830 1.00 0.00 H new ATOM 0 HB ILE A 60 9.589 1.520 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.479 -0.694 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.159 -0.926 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.218 2.267 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.881 2.769 3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.763 1.388 3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.755 -0.663 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.904 0.690 7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.198 0.926 6.933 1.00 0.00 H new ATOM 1054 N ASP A 61 10.177 2.529 2.249 1.00 0.00 N ATOM 1055 CA ASP A 61 10.530 3.562 1.236 1.00 0.00 C ATOM 1056 C ASP A 61 11.861 4.206 1.705 1.00 0.00 C ATOM 1057 O ASP A 61 11.890 4.942 2.699 1.00 0.00 O ATOM 1058 CB ASP A 61 9.425 4.641 1.040 1.00 0.00 C ATOM 1059 CG ASP A 61 8.112 4.206 0.359 1.00 0.00 C ATOM 1060 OD1 ASP A 61 8.020 3.286 -0.455 1.00 0.00 O ATOM 1061 OD2 ASP A 61 7.057 4.991 0.746 1.00 0.00 O ATOM 0 H ASP A 61 10.435 2.792 3.200 1.00 0.00 H new ATOM 0 HA ASP A 61 10.631 3.089 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.176 5.048 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.852 5.456 0.456 1.00 0.00 H new ATOM 1067 N ILE A 62 12.962 3.913 0.985 1.00 0.00 N ATOM 1068 CA ILE A 62 14.315 4.440 1.312 1.00 0.00 C ATOM 1069 C ILE A 62 15.095 4.666 -0.008 1.00 0.00 C ATOM 1070 O ILE A 62 15.407 5.786 -0.414 1.00 0.00 O ATOM 1071 CB ILE A 62 15.051 3.613 2.431 1.00 0.00 C ATOM 1072 CG1 ILE A 62 16.371 4.259 2.946 1.00 0.00 C ATOM 1073 CG2 ILE A 62 15.312 2.125 2.082 1.00 0.00 C ATOM 1074 CD1 ILE A 62 16.216 5.618 3.646 1.00 0.00 C ATOM 1075 OXT ILE A 62 15.399 3.502 -0.670 1.00 0.00 O ATOM 0 H ILE A 62 12.946 3.308 0.164 1.00 0.00 H new ATOM 0 HA ILE A 62 14.233 5.415 1.791 1.00 0.00 H new ATOM 0 HB ILE A 62 14.319 3.639 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.847 3.566 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.049 4.381 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 62 15.823 1.640 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 62 14.362 1.623 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 62 15.935 2.064 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.195 5.977 3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 62 15.774 6.335 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 62 15.569 5.507 4.517 1.00 0.00 H new TER 1088 ILE A 62