USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Set 2.1: A 29 MET CE :methyl 166:sc= -0.288 (180deg=-0.622) USER MOD Set 2.2: A 70 SER OG : rot 103:sc= 1.34 USER MOD Set 3.1: A -1 SER OG : rot 177:sc= -0.316 USER MOD Set 3.2: A -5 GLY N :NH3+ -126:sc= 0.176 (180deg=0) USER MOD Single : A 1 MET CE :methyl -138:sc= -5.83! (180deg=-8.86!) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc=-0.00459 (180deg=-0.121) USER MOD Single : A 7 ASN : amide:sc= -0.373 K(o=-0.37,f=-1.5) USER MOD Single : A 8 CYS SG : rot 83:sc= 0.127 USER MOD Single : A 11 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.0011) USER MOD Single : A 12 HIS : no HE2:sc= -0.509 K(o=-0.51,f=-6.3!) USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00628) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 129:sc= -0.183 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 162:sc= -4.74! (180deg=-5.29!) USER MOD Single : A 28 HIS : no HD1:sc= 0.0655 K(o=0.066,f=-1.1) USER MOD Single : A 31 SER OG : rot -81:sc= -0.392 USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00905 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= -0.0266 (180deg=-0.126) USER MOD Single : A 45 ASN : amide:sc= -3.33! K(o=-3.3!,f=-0.45) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 49 GLN : amide:sc=-0.000217 X(o=-0.00022,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.544 K(o=-0.54,f=-3.2!) USER MOD Single : A 55 MET CE :methyl -129:sc= -0.0477 (180deg=-1.56) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -159:sc= -5.78! (180deg=-8.57!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0428 (180deg=-0.286) USER MOD Single : A 65 ASN : amide:sc= -0.655 K(o=-0.66,f=-2.4!) USER MOD Single : A 67 SER OG : rot -160:sc=-0.00611 USER MOD Single : A 68 TYR OH : rot 130:sc= -6.8! USER MOD Single : A 73 ASN : amide:sc=-0.00433 X(o=-0.0043,f=0) USER MOD Single : A 77 HIS : no HE2:sc= 0.117 K(o=0.12,f=-0.73) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.261 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 8.774 -11.238 -11.592 1.00 0.00 N ATOM 2 CA GLY A -5 8.904 -12.450 -10.744 1.00 0.00 C ATOM 3 C GLY A -5 8.014 -13.578 -11.231 1.00 0.00 C ATOM 4 O GLY A -5 6.830 -13.365 -11.488 1.00 0.00 O ATOM 0 H1 GLY A -5 9.715 -10.944 -11.924 1.00 0.00 H new ATOM 0 H2 GLY A -5 8.169 -11.450 -12.411 1.00 0.00 H new ATOM 0 H3 GLY A -5 8.347 -10.470 -11.036 1.00 0.00 H new ATOM 0 HA2 GLY A -5 9.942 -12.782 -10.741 1.00 0.00 H new ATOM 0 HA3 GLY A -5 8.646 -12.202 -9.714 1.00 0.00 H new ATOM 10 N PRO A -4 8.561 -14.795 -11.386 1.00 0.00 N ATOM 11 CA PRO A -4 7.807 -15.959 -11.870 1.00 0.00 C ATOM 12 C PRO A -4 6.748 -16.458 -10.878 1.00 0.00 C ATOM 13 O PRO A -4 5.697 -16.955 -11.287 1.00 0.00 O ATOM 14 CB PRO A -4 8.886 -17.037 -12.074 1.00 0.00 C ATOM 15 CG PRO A -4 10.191 -16.313 -12.016 1.00 0.00 C ATOM 16 CD PRO A -4 9.965 -15.131 -11.121 1.00 0.00 C ATOM 0 HA PRO A -4 7.247 -15.710 -12.771 1.00 0.00 H new ATOM 0 HB2 PRO A -4 8.827 -17.802 -11.300 1.00 0.00 H new ATOM 0 HB3 PRO A -4 8.760 -17.542 -13.032 1.00 0.00 H new ATOM 0 HG2 PRO A -4 10.978 -16.957 -11.622 1.00 0.00 H new ATOM 0 HG3 PRO A -4 10.506 -15.996 -13.010 1.00 0.00 H new ATOM 0 HD2 PRO A -4 10.132 -15.378 -10.073 1.00 0.00 H new ATOM 0 HD3 PRO A -4 10.633 -14.305 -11.364 1.00 0.00 H new ATOM 24 N LEU A -3 7.022 -16.331 -9.582 1.00 0.00 N ATOM 25 CA LEU A -3 6.079 -16.780 -8.560 1.00 0.00 C ATOM 26 C LEU A -3 4.987 -15.740 -8.341 1.00 0.00 C ATOM 27 O LEU A -3 3.827 -16.069 -8.073 1.00 0.00 O ATOM 28 CB LEU A -3 6.800 -17.080 -7.234 1.00 0.00 C ATOM 29 CG LEU A -3 7.639 -18.366 -7.203 1.00 0.00 C ATOM 30 CD1 LEU A -3 6.822 -19.553 -7.687 1.00 0.00 C ATOM 31 CD2 LEU A -3 8.913 -18.215 -8.026 1.00 0.00 C ATOM 0 H LEU A -3 7.883 -15.924 -9.216 1.00 0.00 H new ATOM 0 HA LEU A -3 5.618 -17.702 -8.915 1.00 0.00 H new ATOM 0 HB2 LEU A -3 7.451 -16.238 -6.998 1.00 0.00 H new ATOM 0 HB3 LEU A -3 6.054 -17.137 -6.442 1.00 0.00 H new ATOM 0 HG LEU A -3 7.931 -18.549 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A -3 7.435 -20.453 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.953 -19.684 -7.042 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.491 -19.374 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A -3 9.485 -19.142 -7.984 1.00 0.00 H new ATOM 0 HD22 LEU A -3 8.653 -17.995 -9.062 1.00 0.00 H new ATOM 0 HD23 LEU A -3 9.513 -17.400 -7.622 1.00 0.00 H new ATOM 43 N GLY A -2 5.356 -14.484 -8.465 1.00 0.00 N ATOM 44 CA GLY A -2 4.393 -13.423 -8.283 1.00 0.00 C ATOM 45 C GLY A -2 4.983 -12.195 -7.626 1.00 0.00 C ATOM 46 O GLY A -2 5.429 -12.245 -6.478 1.00 0.00 O ATOM 0 H GLY A -2 6.302 -14.176 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A -2 3.979 -13.146 -9.252 1.00 0.00 H new ATOM 0 HA3 GLY A -2 3.566 -13.791 -7.676 1.00 0.00 H new ATOM 50 N SER A -1 4.970 -11.095 -8.356 1.00 0.00 N ATOM 51 CA SER A -1 5.483 -9.826 -7.866 1.00 0.00 C ATOM 52 C SER A -1 5.013 -8.706 -8.793 1.00 0.00 C ATOM 53 O SER A -1 4.004 -8.856 -9.486 1.00 0.00 O ATOM 54 CB SER A -1 7.015 -9.863 -7.770 1.00 0.00 C ATOM 55 OG SER A -1 7.606 -10.233 -9.007 1.00 0.00 O ATOM 0 H SER A -1 4.603 -11.055 -9.307 1.00 0.00 H new ATOM 0 HA SER A -1 5.099 -9.639 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A -1 7.385 -8.883 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A -1 7.315 -10.570 -6.997 1.00 0.00 H new ATOM 0 HG SER A -1 8.582 -10.199 -8.926 1.00 0.00 H new ATOM 61 N MET A 1 5.739 -7.602 -8.826 1.00 0.00 N ATOM 62 CA MET A 1 5.391 -6.497 -9.681 1.00 0.00 C ATOM 63 C MET A 1 6.261 -6.524 -10.924 1.00 0.00 C ATOM 64 O MET A 1 7.355 -7.093 -10.917 1.00 0.00 O ATOM 65 CB MET A 1 5.558 -5.180 -8.922 1.00 0.00 C ATOM 66 CG MET A 1 4.979 -3.984 -9.643 1.00 0.00 C ATOM 67 SD MET A 1 4.933 -2.521 -8.606 1.00 0.00 S ATOM 68 CE MET A 1 3.976 -3.135 -7.221 1.00 0.00 C ATOM 0 H MET A 1 6.577 -7.454 -8.264 1.00 0.00 H new ATOM 0 HA MET A 1 4.348 -6.583 -9.987 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.081 -5.271 -7.946 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.619 -5.006 -8.743 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.573 -3.777 -10.533 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.970 -4.219 -9.980 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.258 -2.376 -6.910 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.444 -4.038 -7.519 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.644 -3.364 -6.390 1.00 0.00 H new ATOM 78 N ASP A 2 5.767 -5.924 -11.983 1.00 0.00 N ATOM 79 CA ASP A 2 6.491 -5.877 -13.241 1.00 0.00 C ATOM 80 C ASP A 2 7.602 -4.849 -13.142 1.00 0.00 C ATOM 81 O ASP A 2 7.381 -3.744 -12.661 1.00 0.00 O ATOM 82 CB ASP A 2 5.532 -5.546 -14.388 1.00 0.00 C ATOM 83 CG ASP A 2 6.203 -5.543 -15.746 1.00 0.00 C ATOM 84 OD1 ASP A 2 6.994 -4.620 -16.025 1.00 0.00 O ATOM 85 OD2 ASP A 2 5.928 -6.458 -16.548 1.00 0.00 O ATOM 0 H ASP A 2 4.860 -5.457 -12.001 1.00 0.00 H new ATOM 0 HA ASP A 2 6.935 -6.851 -13.447 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.719 -6.272 -14.394 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.085 -4.568 -14.209 1.00 0.00 H new ATOM 90 N ALA A 3 8.796 -5.234 -13.566 1.00 0.00 N ATOM 91 CA ALA A 3 9.963 -4.370 -13.504 1.00 0.00 C ATOM 92 C ALA A 3 9.718 -3.028 -14.187 1.00 0.00 C ATOM 93 O ALA A 3 9.986 -1.983 -13.612 1.00 0.00 O ATOM 94 CB ALA A 3 11.166 -5.067 -14.125 1.00 0.00 C ATOM 0 H ALA A 3 8.982 -6.155 -13.963 1.00 0.00 H new ATOM 0 HA ALA A 3 10.166 -4.168 -12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.034 -4.410 -14.073 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.374 -5.988 -13.580 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.952 -5.303 -15.167 1.00 0.00 H new ATOM 100 N LYS A 4 9.185 -3.055 -15.402 1.00 0.00 N ATOM 101 CA LYS A 4 8.901 -1.819 -16.122 1.00 0.00 C ATOM 102 C LYS A 4 7.829 -1.019 -15.399 1.00 0.00 C ATOM 103 O LYS A 4 7.884 0.204 -15.348 1.00 0.00 O ATOM 104 CB LYS A 4 8.459 -2.102 -17.562 1.00 0.00 C ATOM 105 CG LYS A 4 9.569 -2.584 -18.479 1.00 0.00 C ATOM 106 CD LYS A 4 10.717 -1.588 -18.529 1.00 0.00 C ATOM 107 CE LYS A 4 11.647 -1.865 -19.695 1.00 0.00 C ATOM 108 NZ LYS A 4 11.035 -1.501 -20.998 1.00 0.00 N ATOM 0 H LYS A 4 8.943 -3.908 -15.905 1.00 0.00 H new ATOM 0 HA LYS A 4 9.821 -1.236 -16.156 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.668 -2.852 -17.545 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.028 -1.193 -17.981 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.937 -3.549 -18.131 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.173 -2.737 -19.483 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.319 -0.577 -18.613 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.279 -1.633 -17.596 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.572 -1.305 -19.561 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.913 -2.922 -19.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.767 -1.496 -21.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.301 -2.196 -21.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.607 -0.556 -20.929 1.00 0.00 H new ATOM 122 N ALA A 5 6.867 -1.722 -14.819 1.00 0.00 N ATOM 123 CA ALA A 5 5.794 -1.084 -14.072 1.00 0.00 C ATOM 124 C ALA A 5 6.344 -0.428 -12.809 1.00 0.00 C ATOM 125 O ALA A 5 6.205 0.779 -12.605 1.00 0.00 O ATOM 126 CB ALA A 5 4.752 -2.128 -13.703 1.00 0.00 C ATOM 0 H ALA A 5 6.808 -2.740 -14.852 1.00 0.00 H new ATOM 0 HA ALA A 5 5.336 -0.312 -14.690 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.945 -1.655 -13.143 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.349 -2.576 -14.611 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.214 -2.902 -13.090 1.00 0.00 H new ATOM 132 N ARG A 6 6.970 -1.245 -11.974 1.00 0.00 N ATOM 133 CA ARG A 6 7.551 -0.799 -10.712 1.00 0.00 C ATOM 134 C ARG A 6 8.563 0.335 -10.939 1.00 0.00 C ATOM 135 O ARG A 6 8.693 1.255 -10.124 1.00 0.00 O ATOM 136 CB ARG A 6 8.215 -2.005 -10.029 1.00 0.00 C ATOM 137 CG ARG A 6 8.292 -1.898 -8.508 1.00 0.00 C ATOM 138 CD ARG A 6 9.261 -0.813 -8.070 1.00 0.00 C ATOM 139 NE ARG A 6 10.657 -1.195 -8.294 1.00 0.00 N ATOM 140 CZ ARG A 6 11.673 -0.349 -8.268 1.00 0.00 C ATOM 141 NH1 ARG A 6 11.456 0.956 -8.180 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.914 -0.800 -8.372 1.00 0.00 N ATOM 0 H ARG A 6 7.091 -2.242 -12.152 1.00 0.00 H new ATOM 0 HA ARG A 6 6.767 -0.400 -10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.662 -2.907 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.223 -2.123 -10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.301 -1.684 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.605 -2.855 -8.091 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.046 0.106 -8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.110 -0.599 -7.012 1.00 0.00 H new ATOM 0 HE ARG A 6 10.859 -2.177 -8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.501 1.312 -8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.244 1.604 -8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.086 -1.800 -8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.697 -0.147 -8.352 1.00 0.00 H new ATOM 156 N ASN A 7 9.276 0.260 -12.047 1.00 0.00 N ATOM 157 CA ASN A 7 10.281 1.257 -12.390 1.00 0.00 C ATOM 158 C ASN A 7 9.659 2.522 -12.922 1.00 0.00 C ATOM 159 O ASN A 7 9.967 3.581 -12.420 1.00 0.00 O ATOM 160 CB ASN A 7 11.292 0.704 -13.400 1.00 0.00 C ATOM 161 CG ASN A 7 12.239 -0.324 -12.806 1.00 0.00 C ATOM 162 OD1 ASN A 7 11.987 -0.899 -11.746 1.00 0.00 O ATOM 163 ND2 ASN A 7 13.332 -0.571 -13.504 1.00 0.00 N ATOM 0 H ASN A 7 9.178 -0.488 -12.733 1.00 0.00 H new ATOM 0 HA ASN A 7 10.807 1.501 -11.467 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.752 0.252 -14.232 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.874 1.530 -13.809 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.006 -1.260 -13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.503 -0.073 -14.377 1.00 0.00 H new ATOM 170 N CYS A 8 8.774 2.436 -13.908 1.00 0.00 N ATOM 171 CA CYS A 8 8.119 3.643 -14.440 1.00 0.00 C ATOM 172 C CYS A 8 7.498 4.454 -13.308 1.00 0.00 C ATOM 173 O CYS A 8 7.311 5.669 -13.421 1.00 0.00 O ATOM 174 CB CYS A 8 7.048 3.269 -15.470 1.00 0.00 C ATOM 175 SG CYS A 8 7.707 2.789 -17.087 1.00 0.00 S ATOM 0 H CYS A 8 8.491 1.563 -14.354 1.00 0.00 H new ATOM 0 HA CYS A 8 8.876 4.252 -14.934 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.452 2.447 -15.075 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.375 4.116 -15.602 1.00 0.00 H new ATOM 0 HG CYS A 8 8.058 1.538 -17.059 1.00 0.00 H new ATOM 181 N LEU A 9 7.223 3.768 -12.210 1.00 0.00 N ATOM 182 CA LEU A 9 6.666 4.373 -11.026 1.00 0.00 C ATOM 183 C LEU A 9 7.718 5.188 -10.278 1.00 0.00 C ATOM 184 O LEU A 9 7.572 6.394 -10.100 1.00 0.00 O ATOM 185 CB LEU A 9 6.102 3.271 -10.124 1.00 0.00 C ATOM 186 CG LEU A 9 6.047 3.607 -8.647 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.927 4.585 -8.344 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.905 2.347 -7.817 1.00 0.00 C ATOM 0 H LEU A 9 7.385 2.765 -12.122 1.00 0.00 H new ATOM 0 HA LEU A 9 5.868 5.056 -11.317 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.095 3.028 -10.462 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.707 2.374 -10.253 1.00 0.00 H new ATOM 0 HG LEU A 9 6.987 4.090 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.915 4.805 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.088 5.507 -8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.972 4.146 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.867 2.610 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.987 1.830 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.759 1.694 -7.998 1.00 0.00 H new ATOM 200 N LEU A 10 8.774 4.531 -9.826 1.00 0.00 N ATOM 201 CA LEU A 10 9.811 5.230 -9.066 1.00 0.00 C ATOM 202 C LEU A 10 10.868 5.922 -9.943 1.00 0.00 C ATOM 203 O LEU A 10 11.626 6.763 -9.460 1.00 0.00 O ATOM 204 CB LEU A 10 10.473 4.257 -8.103 1.00 0.00 C ATOM 205 CG LEU A 10 9.794 4.133 -6.741 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.493 3.089 -5.886 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.794 5.478 -6.032 1.00 0.00 C ATOM 0 H LEU A 10 8.939 3.534 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 10 9.314 6.031 -8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.502 3.272 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.506 4.568 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 10 8.763 3.815 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.994 3.016 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.454 2.122 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.533 3.379 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.307 5.378 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.821 5.814 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.254 6.207 -6.635 1.00 0.00 H new ATOM 219 N GLN A 11 10.916 5.579 -11.219 1.00 0.00 N ATOM 220 CA GLN A 11 11.877 6.177 -12.146 1.00 0.00 C ATOM 221 C GLN A 11 11.477 7.614 -12.427 1.00 0.00 C ATOM 222 O GLN A 11 12.322 8.485 -12.629 1.00 0.00 O ATOM 223 CB GLN A 11 11.922 5.379 -13.445 1.00 0.00 C ATOM 224 CG GLN A 11 13.079 5.715 -14.366 1.00 0.00 C ATOM 225 CD GLN A 11 13.024 4.917 -15.657 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.927 4.994 -16.487 1.00 0.00 O ATOM 227 NE2 GLN A 11 11.951 4.155 -15.838 1.00 0.00 N ATOM 0 H GLN A 11 10.299 4.886 -11.644 1.00 0.00 H new ATOM 0 HA GLN A 11 12.870 6.161 -11.697 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.969 4.318 -13.200 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.989 5.540 -13.985 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.062 6.780 -14.596 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.020 5.514 -13.855 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.224 4.120 -15.123 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.854 3.605 -16.692 1.00 0.00 H new ATOM 236 N HIS A 12 10.167 7.857 -12.396 1.00 0.00 N ATOM 237 CA HIS A 12 9.623 9.186 -12.606 1.00 0.00 C ATOM 238 C HIS A 12 9.582 9.944 -11.294 1.00 0.00 C ATOM 239 O HIS A 12 8.631 10.664 -11.007 1.00 0.00 O ATOM 240 CB HIS A 12 8.239 9.137 -13.253 1.00 0.00 C ATOM 241 CG HIS A 12 8.291 9.002 -14.746 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.919 9.919 -15.568 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.783 8.056 -15.568 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.789 9.545 -16.823 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.105 8.419 -16.857 1.00 0.00 N ATOM 0 H HIS A 12 9.462 7.139 -12.225 1.00 0.00 H new ATOM 0 HA HIS A 12 10.280 9.713 -13.298 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.680 8.298 -12.838 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.692 10.044 -12.995 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.408 10.756 -15.251 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.228 7.179 -15.269 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.178 10.073 -17.681 1.00 0.00 H new ATOM 254 N ARG A 13 10.653 9.776 -10.523 1.00 0.00 N ATOM 255 CA ARG A 13 10.848 10.439 -9.228 1.00 0.00 C ATOM 256 C ARG A 13 10.645 11.947 -9.367 1.00 0.00 C ATOM 257 O ARG A 13 10.266 12.627 -8.410 1.00 0.00 O ATOM 258 CB ARG A 13 12.248 10.135 -8.682 1.00 0.00 C ATOM 259 CG ARG A 13 12.252 9.629 -7.246 1.00 0.00 C ATOM 260 CD ARG A 13 11.873 10.722 -6.252 1.00 0.00 C ATOM 261 NE ARG A 13 11.739 10.206 -4.883 1.00 0.00 N ATOM 262 CZ ARG A 13 12.729 9.680 -4.163 1.00 0.00 C ATOM 263 NH1 ARG A 13 13.977 9.714 -4.613 1.00 0.00 N ATOM 264 NH2 ARG A 13 12.475 9.162 -2.979 1.00 0.00 N ATOM 0 H ARG A 13 11.427 9.164 -10.782 1.00 0.00 H new ATOM 0 HA ARG A 13 10.110 10.055 -8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.723 9.390 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.855 11.039 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.554 8.797 -7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.242 9.244 -7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.630 11.506 -6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.933 11.180 -6.559 1.00 0.00 H new ATOM 0 HE ARG A 13 10.817 10.254 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.182 10.144 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.731 9.310 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.522 9.164 -2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.231 8.759 -2.426 1.00 0.00 H new ATOM 278 N GLU A 14 10.856 12.444 -10.583 1.00 0.00 N ATOM 279 CA GLU A 14 10.656 13.846 -10.910 1.00 0.00 C ATOM 280 C GLU A 14 9.233 14.262 -10.537 1.00 0.00 C ATOM 281 O GLU A 14 8.973 15.404 -10.162 1.00 0.00 O ATOM 282 CB GLU A 14 10.870 14.041 -12.410 1.00 0.00 C ATOM 283 CG GLU A 14 9.909 13.210 -13.260 1.00 0.00 C ATOM 284 CD GLU A 14 10.237 13.217 -14.736 1.00 0.00 C ATOM 285 OE1 GLU A 14 10.332 14.311 -15.326 1.00 0.00 O ATOM 286 OE2 GLU A 14 10.374 12.122 -15.321 1.00 0.00 O ATOM 0 H GLU A 14 11.172 11.879 -11.371 1.00 0.00 H new ATOM 0 HA GLU A 14 11.365 14.459 -10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.746 15.096 -12.656 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.896 13.773 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.918 12.181 -12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.896 13.588 -13.121 1.00 0.00 H new ATOM 293 N ALA A 15 8.318 13.301 -10.634 1.00 0.00 N ATOM 294 CA ALA A 15 6.926 13.523 -10.302 1.00 0.00 C ATOM 295 C ALA A 15 6.537 12.663 -9.100 1.00 0.00 C ATOM 296 O ALA A 15 5.541 12.930 -8.440 1.00 0.00 O ATOM 297 CB ALA A 15 6.043 13.218 -11.503 1.00 0.00 C ATOM 0 H ALA A 15 8.526 12.352 -10.944 1.00 0.00 H new ATOM 0 HA ALA A 15 6.782 14.570 -10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.999 13.389 -11.240 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.319 13.869 -12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.177 12.177 -11.798 1.00 0.00 H new ATOM 303 N LEU A 16 7.343 11.628 -8.827 1.00 0.00 N ATOM 304 CA LEU A 16 7.111 10.710 -7.699 1.00 0.00 C ATOM 305 C LEU A 16 6.866 11.486 -6.407 1.00 0.00 C ATOM 306 O LEU A 16 5.735 11.734 -6.037 1.00 0.00 O ATOM 307 CB LEU A 16 8.324 9.787 -7.534 1.00 0.00 C ATOM 308 CG LEU A 16 8.088 8.448 -6.834 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.768 8.624 -5.362 1.00 0.00 C ATOM 310 CD2 LEU A 16 6.988 7.675 -7.530 1.00 0.00 C ATOM 0 H LEU A 16 8.171 11.402 -9.378 1.00 0.00 H new ATOM 0 HA LEU A 16 6.223 10.114 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.732 9.584 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.089 10.329 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 16 9.015 7.879 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.608 7.647 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.600 9.125 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.866 9.227 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.832 6.725 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.065 8.255 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.273 7.488 -8.565 1.00 0.00 H new ATOM 322 N GLU A 17 7.934 11.852 -5.720 1.00 0.00 N ATOM 323 CA GLU A 17 7.831 12.581 -4.455 1.00 0.00 C ATOM 324 C GLU A 17 7.130 13.942 -4.612 1.00 0.00 C ATOM 325 O GLU A 17 6.653 14.516 -3.633 1.00 0.00 O ATOM 326 CB GLU A 17 9.233 12.796 -3.874 1.00 0.00 C ATOM 327 CG GLU A 17 9.337 12.497 -2.392 1.00 0.00 C ATOM 328 CD GLU A 17 9.487 11.017 -2.092 1.00 0.00 C ATOM 329 OE1 GLU A 17 9.688 10.225 -3.039 1.00 0.00 O ATOM 330 OE2 GLU A 17 9.439 10.646 -0.903 1.00 0.00 O ATOM 0 H GLU A 17 8.891 11.658 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 17 7.223 11.977 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.939 12.164 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.533 13.829 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.191 13.034 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.448 12.875 -1.888 1.00 0.00 H new ATOM 337 N LYS A 18 7.082 14.463 -5.837 1.00 0.00 N ATOM 338 CA LYS A 18 6.456 15.761 -6.092 1.00 0.00 C ATOM 339 C LYS A 18 4.926 15.685 -6.130 1.00 0.00 C ATOM 340 O LYS A 18 4.245 16.674 -5.852 1.00 0.00 O ATOM 341 CB LYS A 18 6.962 16.361 -7.410 1.00 0.00 C ATOM 342 CG LYS A 18 8.302 17.073 -7.297 1.00 0.00 C ATOM 343 CD LYS A 18 8.257 18.220 -6.293 1.00 0.00 C ATOM 344 CE LYS A 18 7.143 19.212 -6.600 1.00 0.00 C ATOM 345 NZ LYS A 18 7.304 19.861 -7.929 1.00 0.00 N ATOM 0 H LYS A 18 7.467 14.009 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 18 6.739 16.402 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.047 15.565 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.219 17.065 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.068 16.358 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.591 17.458 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.116 17.817 -5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.215 18.740 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.183 18.697 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.121 19.979 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.549 20.563 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.229 20.334 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.247 19.140 -8.677 1.00 0.00 H new ATOM 359 N ASP A 19 4.382 14.533 -6.490 1.00 0.00 N ATOM 360 CA ASP A 19 2.932 14.390 -6.574 1.00 0.00 C ATOM 361 C ASP A 19 2.431 13.243 -5.702 1.00 0.00 C ATOM 362 O ASP A 19 1.411 13.376 -5.027 1.00 0.00 O ATOM 363 CB ASP A 19 2.494 14.168 -8.026 1.00 0.00 C ATOM 364 CG ASP A 19 0.988 14.230 -8.189 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.394 15.274 -7.845 1.00 0.00 O ATOM 366 OD2 ASP A 19 0.392 13.257 -8.685 1.00 0.00 O ATOM 0 H ASP A 19 4.911 13.693 -6.726 1.00 0.00 H new ATOM 0 HA ASP A 19 2.492 15.316 -6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.957 14.922 -8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.854 13.198 -8.368 1.00 0.00 H new ATOM 371 N ILE A 20 3.159 12.125 -5.720 1.00 0.00 N ATOM 372 CA ILE A 20 2.801 10.944 -4.936 1.00 0.00 C ATOM 373 C ILE A 20 2.561 11.300 -3.465 1.00 0.00 C ATOM 374 O ILE A 20 3.337 12.030 -2.843 1.00 0.00 O ATOM 375 CB ILE A 20 3.885 9.825 -5.058 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.328 8.613 -5.806 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.438 9.401 -3.710 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.261 7.412 -5.803 1.00 0.00 C ATOM 0 H ILE A 20 4.008 12.014 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 20 1.869 10.558 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 20 4.712 10.249 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.378 8.325 -5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.120 8.898 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.187 8.622 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.896 10.259 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.629 9.017 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.799 6.591 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.203 7.682 -6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.450 7.101 -4.776 1.00 0.00 H new ATOM 390 N LYS A 21 1.475 10.771 -2.931 1.00 0.00 N ATOM 391 CA LYS A 21 1.086 10.986 -1.545 1.00 0.00 C ATOM 392 C LYS A 21 0.332 9.770 -1.053 1.00 0.00 C ATOM 393 O LYS A 21 0.224 8.773 -1.769 1.00 0.00 O ATOM 394 CB LYS A 21 0.239 12.253 -1.402 1.00 0.00 C ATOM 395 CG LYS A 21 1.075 13.492 -1.139 1.00 0.00 C ATOM 396 CD LYS A 21 0.294 14.772 -1.385 1.00 0.00 C ATOM 397 CE LYS A 21 1.175 16.000 -1.207 1.00 0.00 C ATOM 398 NZ LYS A 21 0.409 17.262 -1.362 1.00 0.00 N ATOM 0 H LYS A 21 0.831 10.174 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 21 1.980 11.127 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.344 12.400 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.471 12.120 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.430 13.477 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.956 13.477 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.118 14.761 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.549 14.824 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.636 15.975 -0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.984 15.975 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.047 18.073 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.010 17.299 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.347 17.299 -0.649 1.00 0.00 H new ATOM 412 N THR A 22 -0.173 9.838 0.158 1.00 0.00 N ATOM 413 CA THR A 22 -0.891 8.718 0.725 1.00 0.00 C ATOM 414 C THR A 22 -2.333 9.111 1.086 1.00 0.00 C ATOM 415 O THR A 22 -3.167 9.261 0.190 1.00 0.00 O ATOM 416 CB THR A 22 -0.098 8.177 1.939 1.00 0.00 C ATOM 417 OG1 THR A 22 -0.861 7.214 2.667 1.00 0.00 O ATOM 418 CG2 THR A 22 0.340 9.301 2.868 1.00 0.00 C ATOM 0 H THR A 22 -0.101 10.653 0.767 1.00 0.00 H new ATOM 0 HA THR A 22 -0.974 7.919 -0.011 1.00 0.00 H new ATOM 0 HB THR A 22 0.794 7.691 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.325 6.404 2.799 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.894 8.883 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.978 9.996 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.538 9.830 3.239 1.00 0.00 H new ATOM 426 N SER A 23 -2.603 9.308 2.375 1.00 0.00 N ATOM 427 CA SER A 23 -3.916 9.712 2.868 1.00 0.00 C ATOM 428 C SER A 23 -5.075 8.934 2.220 1.00 0.00 C ATOM 429 O SER A 23 -5.290 7.762 2.528 1.00 0.00 O ATOM 430 CB SER A 23 -4.089 11.214 2.657 1.00 0.00 C ATOM 431 OG SER A 23 -2.964 11.926 3.144 1.00 0.00 O ATOM 0 H SER A 23 -1.909 9.190 3.113 1.00 0.00 H new ATOM 0 HA SER A 23 -3.955 9.473 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.225 11.423 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.990 11.556 3.167 1.00 0.00 H new ATOM 0 HG SER A 23 -3.096 12.886 2.997 1.00 0.00 H new ATOM 437 N TYR A 24 -5.826 9.604 1.346 1.00 0.00 N ATOM 438 CA TYR A 24 -6.983 9.004 0.680 1.00 0.00 C ATOM 439 C TYR A 24 -6.609 7.902 -0.303 1.00 0.00 C ATOM 440 O TYR A 24 -7.315 6.901 -0.409 1.00 0.00 O ATOM 441 CB TYR A 24 -7.775 10.089 -0.036 1.00 0.00 C ATOM 442 CG TYR A 24 -8.677 10.893 0.881 1.00 0.00 C ATOM 443 CD1 TYR A 24 -8.289 11.207 2.177 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.919 11.338 0.449 1.00 0.00 C ATOM 445 CE1 TYR A 24 -9.111 11.937 3.019 1.00 0.00 C ATOM 446 CE2 TYR A 24 -10.747 12.070 1.282 1.00 0.00 C ATOM 447 CZ TYR A 24 -10.339 12.367 2.567 1.00 0.00 C ATOM 448 OH TYR A 24 -11.162 13.093 3.401 1.00 0.00 O ATOM 0 H TYR A 24 -5.651 10.573 1.080 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.589 8.535 1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -7.080 10.766 -0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.382 9.629 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.326 10.875 2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.245 11.109 -0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.791 12.168 4.024 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.710 12.408 0.928 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.990 13.319 2.928 1.00 0.00 H new ATOM 458 N ILE A 25 -5.506 8.076 -1.017 1.00 0.00 N ATOM 459 CA ILE A 25 -5.057 7.074 -1.977 1.00 0.00 C ATOM 460 C ILE A 25 -4.827 5.745 -1.269 1.00 0.00 C ATOM 461 O ILE A 25 -5.265 4.689 -1.728 1.00 0.00 O ATOM 462 CB ILE A 25 -3.766 7.526 -2.694 1.00 0.00 C ATOM 463 CG1 ILE A 25 -4.087 8.653 -3.665 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.095 6.361 -3.417 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.871 9.205 -4.360 1.00 0.00 C ATOM 0 H ILE A 25 -4.906 8.898 -0.951 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.834 6.951 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.063 7.891 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.791 8.289 -4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.585 9.458 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.189 6.713 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.837 5.585 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.779 5.952 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.171 10.005 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.176 9.599 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.385 8.412 -4.928 1.00 0.00 H new ATOM 477 N MET A 26 -4.174 5.828 -0.122 1.00 0.00 N ATOM 478 CA MET A 26 -3.901 4.663 0.699 1.00 0.00 C ATOM 479 C MET A 26 -5.174 4.179 1.376 1.00 0.00 C ATOM 480 O MET A 26 -5.290 3.011 1.719 1.00 0.00 O ATOM 481 CB MET A 26 -2.854 5.015 1.757 1.00 0.00 C ATOM 482 CG MET A 26 -2.685 3.958 2.833 1.00 0.00 C ATOM 483 SD MET A 26 -1.730 4.549 4.237 1.00 0.00 S ATOM 484 CE MET A 26 -1.936 3.182 5.375 1.00 0.00 C ATOM 0 H MET A 26 -3.820 6.703 0.264 1.00 0.00 H new ATOM 0 HA MET A 26 -3.521 3.865 0.061 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.895 5.175 1.265 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.131 5.958 2.228 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.667 3.634 3.177 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.193 3.084 2.405 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.169 3.233 6.147 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.921 3.239 5.838 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.844 2.241 4.833 1.00 0.00 H new ATOM 494 N ASP A 27 -6.143 5.068 1.545 1.00 0.00 N ATOM 495 CA ASP A 27 -7.395 4.678 2.178 1.00 0.00 C ATOM 496 C ASP A 27 -8.168 3.799 1.223 1.00 0.00 C ATOM 497 O ASP A 27 -8.783 2.813 1.619 1.00 0.00 O ATOM 498 CB ASP A 27 -8.208 5.919 2.560 1.00 0.00 C ATOM 499 CG ASP A 27 -9.410 5.613 3.441 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.607 4.442 3.819 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.159 6.557 3.766 1.00 0.00 O ATOM 0 H ASP A 27 -6.090 6.046 1.259 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.191 4.123 3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.558 6.623 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.551 6.412 1.651 1.00 0.00 H new ATOM 506 N HIS A 28 -8.094 4.151 -0.047 1.00 0.00 N ATOM 507 CA HIS A 28 -8.757 3.399 -1.093 1.00 0.00 C ATOM 508 C HIS A 28 -8.058 2.066 -1.339 1.00 0.00 C ATOM 509 O HIS A 28 -8.678 1.114 -1.791 1.00 0.00 O ATOM 510 CB HIS A 28 -8.810 4.232 -2.366 1.00 0.00 C ATOM 511 CG HIS A 28 -9.756 5.388 -2.258 1.00 0.00 C ATOM 512 ND1 HIS A 28 -11.101 5.238 -2.000 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.544 6.720 -2.350 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.668 6.425 -1.937 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.746 7.339 -2.142 1.00 0.00 N ATOM 0 H HIS A 28 -7.575 4.963 -0.380 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.775 3.177 -0.774 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.811 4.604 -2.594 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.111 3.597 -3.199 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.600 7.206 -2.551 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.714 6.615 -1.749 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.902 8.347 -2.145 1.00 0.00 H new ATOM 524 N MET A 29 -6.766 1.999 -1.027 1.00 0.00 N ATOM 525 CA MET A 29 -6.003 0.766 -1.209 1.00 0.00 C ATOM 526 C MET A 29 -6.345 -0.258 -0.124 1.00 0.00 C ATOM 527 O MET A 29 -6.339 -1.468 -0.370 1.00 0.00 O ATOM 528 CB MET A 29 -4.498 1.038 -1.203 1.00 0.00 C ATOM 529 CG MET A 29 -3.975 1.630 -2.499 1.00 0.00 C ATOM 530 SD MET A 29 -2.231 1.263 -2.764 1.00 0.00 S ATOM 531 CE MET A 29 -2.310 -0.459 -3.277 1.00 0.00 C ATOM 0 H MET A 29 -6.228 2.779 -0.649 1.00 0.00 H new ATOM 0 HA MET A 29 -6.280 0.357 -2.181 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.265 1.718 -0.384 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.971 0.105 -1.002 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.557 1.241 -3.334 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.119 2.710 -2.486 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.354 -0.754 -3.711 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.525 -1.087 -2.412 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.099 -0.582 -4.019 1.00 0.00 H new ATOM 541 N ILE A 30 -6.647 0.230 1.072 1.00 0.00 N ATOM 542 CA ILE A 30 -7.001 -0.643 2.190 1.00 0.00 C ATOM 543 C ILE A 30 -8.446 -1.098 2.032 1.00 0.00 C ATOM 544 O ILE A 30 -8.766 -2.273 2.216 1.00 0.00 O ATOM 545 CB ILE A 30 -6.855 0.077 3.541 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.538 0.841 3.614 1.00 0.00 C ATOM 547 CG2 ILE A 30 -6.934 -0.914 4.693 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.353 1.598 4.909 1.00 0.00 C ATOM 0 H ILE A 30 -6.655 1.225 1.296 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.321 -1.495 2.179 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.678 0.787 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.713 0.140 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.487 1.543 2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.828 -0.382 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.897 -1.424 4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.133 -1.647 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.395 2.118 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.158 2.323 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.372 0.899 5.745 1.00 0.00 H new ATOM 560 N SER A 31 -9.316 -0.162 1.655 1.00 0.00 N ATOM 561 CA SER A 31 -10.720 -0.476 1.433 1.00 0.00 C ATOM 562 C SER A 31 -10.843 -1.369 0.205 1.00 0.00 C ATOM 563 O SER A 31 -11.816 -2.106 0.049 1.00 0.00 O ATOM 564 CB SER A 31 -11.539 0.803 1.257 1.00 0.00 C ATOM 565 OG SER A 31 -10.944 1.667 0.305 1.00 0.00 O ATOM 0 H SER A 31 -9.071 0.816 1.498 1.00 0.00 H new ATOM 0 HA SER A 31 -11.114 -1.003 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.550 0.549 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.625 1.317 2.214 1.00 0.00 H new ATOM 0 HG SER A 31 -10.217 2.170 0.729 1.00 0.00 H new ATOM 571 N ASP A 32 -9.817 -1.313 -0.642 1.00 0.00 N ATOM 572 CA ASP A 32 -9.754 -2.129 -1.841 1.00 0.00 C ATOM 573 C ASP A 32 -9.491 -3.566 -1.420 1.00 0.00 C ATOM 574 O ASP A 32 -9.901 -4.519 -2.089 1.00 0.00 O ATOM 575 CB ASP A 32 -8.629 -1.641 -2.755 1.00 0.00 C ATOM 576 CG ASP A 32 -8.954 -1.787 -4.223 1.00 0.00 C ATOM 577 OD1 ASP A 32 -9.992 -1.244 -4.659 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.150 -2.402 -4.956 1.00 0.00 O ATOM 0 H ASP A 32 -9.011 -0.701 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.693 -2.059 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.421 -0.593 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.720 -2.200 -2.533 1.00 0.00 H new ATOM 583 N GLY A 33 -8.814 -3.707 -0.275 1.00 0.00 N ATOM 584 CA GLY A 33 -8.520 -5.024 0.252 1.00 0.00 C ATOM 585 C GLY A 33 -7.134 -5.511 -0.114 1.00 0.00 C ATOM 586 O GLY A 33 -6.749 -6.628 0.232 1.00 0.00 O ATOM 0 H GLY A 33 -8.468 -2.932 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.618 -5.005 1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.259 -5.733 -0.122 1.00 0.00 H new ATOM 590 N PHE A 34 -6.381 -4.683 -0.827 1.00 0.00 N ATOM 591 CA PHE A 34 -5.042 -5.061 -1.237 1.00 0.00 C ATOM 592 C PHE A 34 -4.057 -4.812 -0.103 1.00 0.00 C ATOM 593 O PHE A 34 -3.130 -5.597 0.125 1.00 0.00 O ATOM 594 CB PHE A 34 -4.630 -4.315 -2.504 1.00 0.00 C ATOM 595 CG PHE A 34 -5.315 -4.837 -3.739 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.696 -4.952 -3.794 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.575 -5.224 -4.845 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.322 -5.440 -4.921 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.195 -5.711 -5.977 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.569 -5.820 -6.019 1.00 0.00 C ATOM 0 H PHE A 34 -6.674 -3.754 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.035 -6.126 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.860 -3.256 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.550 -4.395 -2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.289 -4.655 -2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.498 -5.143 -4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.398 -5.526 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.604 -6.007 -6.831 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.056 -6.200 -6.905 1.00 0.00 H new ATOM 610 N LEU A 35 -4.296 -3.747 0.646 1.00 0.00 N ATOM 611 CA LEU A 35 -3.467 -3.437 1.792 1.00 0.00 C ATOM 612 C LEU A 35 -4.207 -3.881 3.046 1.00 0.00 C ATOM 613 O LEU A 35 -5.351 -3.488 3.269 1.00 0.00 O ATOM 614 CB LEU A 35 -3.125 -1.946 1.860 1.00 0.00 C ATOM 615 CG LEU A 35 -2.224 -1.427 0.744 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.918 0.042 0.962 1.00 0.00 C ATOM 617 CD2 LEU A 35 -0.943 -2.243 0.674 1.00 0.00 C ATOM 0 H LEU A 35 -5.055 -3.087 0.479 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.519 -3.968 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.055 -1.377 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.642 -1.745 2.816 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.745 -1.532 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.274 0.402 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.848 0.611 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.412 0.170 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.311 -1.860 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.412 -2.168 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.187 -3.287 0.476 1.00 0.00 H new ATOM 629 N THR A 36 -3.571 -4.720 3.845 1.00 0.00 N ATOM 630 CA THR A 36 -4.196 -5.226 5.053 1.00 0.00 C ATOM 631 C THR A 36 -3.869 -4.325 6.236 1.00 0.00 C ATOM 632 O THR A 36 -3.153 -3.334 6.086 1.00 0.00 O ATOM 633 CB THR A 36 -3.776 -6.688 5.341 1.00 0.00 C ATOM 634 OG1 THR A 36 -4.535 -7.215 6.435 1.00 0.00 O ATOM 635 CG2 THR A 36 -2.289 -6.783 5.662 1.00 0.00 C ATOM 0 H THR A 36 -2.625 -5.064 3.679 1.00 0.00 H new ATOM 0 HA THR A 36 -5.275 -5.221 4.899 1.00 0.00 H new ATOM 0 HB THR A 36 -3.974 -7.273 4.443 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.262 -8.140 6.607 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.025 -7.822 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.710 -6.416 4.815 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.067 -6.179 6.542 1.00 0.00 H new ATOM 643 N ILE A 37 -4.397 -4.666 7.402 1.00 0.00 N ATOM 644 CA ILE A 37 -4.170 -3.889 8.612 1.00 0.00 C ATOM 645 C ILE A 37 -2.674 -3.751 8.898 1.00 0.00 C ATOM 646 O ILE A 37 -2.227 -2.708 9.356 1.00 0.00 O ATOM 647 CB ILE A 37 -4.881 -4.525 9.828 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.375 -4.718 9.530 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.695 -3.670 11.075 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.104 -3.439 9.191 1.00 0.00 C ATOM 0 H ILE A 37 -4.991 -5.484 7.536 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.590 -2.897 8.447 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.431 -5.500 10.015 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.482 -5.416 8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.851 -5.177 10.396 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.205 -4.139 11.917 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.632 -3.579 11.299 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.115 -2.679 10.903 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.153 -3.659 8.994 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.030 -2.745 10.028 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.655 -2.988 8.306 1.00 0.00 H new ATOM 662 N SER A 38 -1.901 -4.795 8.606 1.00 0.00 N ATOM 663 CA SER A 38 -0.452 -4.753 8.823 1.00 0.00 C ATOM 664 C SER A 38 0.200 -3.759 7.867 1.00 0.00 C ATOM 665 O SER A 38 1.149 -3.064 8.232 1.00 0.00 O ATOM 666 CB SER A 38 0.170 -6.134 8.628 1.00 0.00 C ATOM 667 OG SER A 38 -0.492 -7.119 9.402 1.00 0.00 O ATOM 0 H SER A 38 -2.247 -5.674 8.222 1.00 0.00 H new ATOM 0 HA SER A 38 -0.277 -4.433 9.850 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.125 -6.408 7.574 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.224 -6.101 8.904 1.00 0.00 H new ATOM 0 HG SER A 38 -0.070 -7.991 9.252 1.00 0.00 H new ATOM 673 N GLU A 39 -0.328 -3.676 6.653 1.00 0.00 N ATOM 674 CA GLU A 39 0.188 -2.742 5.665 1.00 0.00 C ATOM 675 C GLU A 39 -0.168 -1.333 6.103 1.00 0.00 C ATOM 676 O GLU A 39 0.674 -0.437 6.094 1.00 0.00 O ATOM 677 CB GLU A 39 -0.399 -3.026 4.276 1.00 0.00 C ATOM 678 CG GLU A 39 -0.289 -4.478 3.835 1.00 0.00 C ATOM 679 CD GLU A 39 1.135 -4.954 3.634 1.00 0.00 C ATOM 680 OE1 GLU A 39 1.910 -4.950 4.608 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.470 -5.363 2.503 1.00 0.00 O ATOM 0 H GLU A 39 -1.112 -4.244 6.331 1.00 0.00 H new ATOM 0 HA GLU A 39 1.270 -2.854 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.450 -2.736 4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.108 -2.397 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.771 -5.111 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.839 -4.607 2.903 1.00 0.00 H new ATOM 688 N GLU A 40 -1.421 -1.171 6.512 1.00 0.00 N ATOM 689 CA GLU A 40 -1.927 0.106 6.992 1.00 0.00 C ATOM 690 C GLU A 40 -1.153 0.570 8.225 1.00 0.00 C ATOM 691 O GLU A 40 -0.625 1.678 8.263 1.00 0.00 O ATOM 692 CB GLU A 40 -3.410 -0.012 7.365 1.00 0.00 C ATOM 693 CG GLU A 40 -3.955 1.237 8.049 1.00 0.00 C ATOM 694 CD GLU A 40 -5.235 0.987 8.819 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.228 0.129 9.722 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.246 1.671 8.547 1.00 0.00 O ATOM 0 H GLU A 40 -2.112 -1.921 6.520 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.801 0.832 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.991 -0.208 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.546 -0.869 8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.200 1.629 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.135 2.005 7.297 1.00 0.00 H new ATOM 703 N GLU A 41 -1.145 -0.291 9.235 1.00 0.00 N ATOM 704 CA GLU A 41 -0.513 -0.032 10.528 1.00 0.00 C ATOM 705 C GLU A 41 0.807 0.733 10.436 1.00 0.00 C ATOM 706 O GLU A 41 0.955 1.772 11.070 1.00 0.00 O ATOM 707 CB GLU A 41 -0.313 -1.357 11.268 1.00 0.00 C ATOM 708 CG GLU A 41 0.020 -1.208 12.745 1.00 0.00 C ATOM 709 CD GLU A 41 1.498 -1.367 13.038 1.00 0.00 C ATOM 710 OE1 GLU A 41 2.282 -1.548 12.089 1.00 0.00 O ATOM 711 OE2 GLU A 41 1.877 -1.317 14.225 1.00 0.00 O ATOM 0 H GLU A 41 -1.586 -1.209 9.180 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.189 0.620 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.220 -1.954 11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.488 -1.913 10.782 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.309 -0.228 13.089 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.539 -1.950 13.315 1.00 0.00 H new ATOM 718 N LYS A 42 1.767 0.212 9.691 1.00 0.00 N ATOM 719 CA LYS A 42 3.074 0.861 9.595 1.00 0.00 C ATOM 720 C LYS A 42 3.039 2.198 8.835 1.00 0.00 C ATOM 721 O LYS A 42 3.547 3.207 9.336 1.00 0.00 O ATOM 722 CB LYS A 42 4.097 -0.090 8.973 1.00 0.00 C ATOM 723 CG LYS A 42 5.536 0.325 9.243 1.00 0.00 C ATOM 724 CD LYS A 42 6.423 -0.879 9.505 1.00 0.00 C ATOM 725 CE LYS A 42 5.948 -1.684 10.711 1.00 0.00 C ATOM 726 NZ LYS A 42 5.923 -0.871 11.957 1.00 0.00 N ATOM 0 H LYS A 42 1.674 -0.647 9.148 1.00 0.00 H new ATOM 0 HA LYS A 42 3.376 1.101 10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.935 -1.095 9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.934 -0.136 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.921 0.883 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.567 0.995 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.435 -1.519 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.447 -0.546 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.950 -2.074 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.604 -2.543 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.743 -1.491 12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.840 -0.395 12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.169 -0.158 11.891 1.00 0.00 H new ATOM 740 N VAL A 43 2.442 2.211 7.643 1.00 0.00 N ATOM 741 CA VAL A 43 2.353 3.440 6.843 1.00 0.00 C ATOM 742 C VAL A 43 1.604 4.525 7.624 1.00 0.00 C ATOM 743 O VAL A 43 1.921 5.708 7.538 1.00 0.00 O ATOM 744 CB VAL A 43 1.610 3.184 5.512 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.652 4.411 4.622 1.00 0.00 C ATOM 746 CG2 VAL A 43 2.191 1.984 4.793 1.00 0.00 C ATOM 0 H VAL A 43 2.015 1.393 7.210 1.00 0.00 H new ATOM 0 HA VAL A 43 3.369 3.769 6.627 1.00 0.00 H new ATOM 0 HB VAL A 43 0.567 2.971 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.122 4.204 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.175 5.248 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.689 4.664 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.652 1.823 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.244 2.164 4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.095 1.100 5.424 1.00 0.00 H new ATOM 756 N ARG A 44 0.599 4.100 8.385 1.00 0.00 N ATOM 757 CA ARG A 44 -0.218 5.013 9.183 1.00 0.00 C ATOM 758 C ARG A 44 0.462 5.343 10.518 1.00 0.00 C ATOM 759 O ARG A 44 0.144 6.349 11.150 1.00 0.00 O ATOM 760 CB ARG A 44 -1.586 4.380 9.439 1.00 0.00 C ATOM 761 CG ARG A 44 -2.627 5.334 10.005 1.00 0.00 C ATOM 762 CD ARG A 44 -3.938 4.612 10.305 1.00 0.00 C ATOM 763 NE ARG A 44 -5.009 5.521 10.715 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.006 6.238 11.843 1.00 0.00 C ATOM 765 NH1 ARG A 44 -4.002 6.138 12.707 1.00 0.00 N ATOM 766 NH2 ARG A 44 -6.030 7.030 12.123 1.00 0.00 N ATOM 0 H ARG A 44 0.328 3.120 8.467 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.339 5.943 8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.962 3.966 8.503 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.463 3.546 10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.245 5.792 10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.808 6.141 9.295 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.255 4.062 9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.770 3.878 11.093 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.815 5.614 10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.223 5.509 12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.010 6.690 13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.818 7.092 11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.030 7.578 12.983 1.00 0.00 H new ATOM 780 N ASN A 45 1.397 4.494 10.935 1.00 0.00 N ATOM 781 CA ASN A 45 2.125 4.703 12.187 1.00 0.00 C ATOM 782 C ASN A 45 2.982 5.948 12.088 1.00 0.00 C ATOM 783 O ASN A 45 3.081 6.717 13.042 1.00 0.00 O ATOM 784 CB ASN A 45 3.013 3.505 12.524 1.00 0.00 C ATOM 785 CG ASN A 45 2.456 2.642 13.644 1.00 0.00 C ATOM 786 OD1 ASN A 45 3.057 1.633 14.007 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.308 3.020 14.194 1.00 0.00 N ATOM 0 H ASN A 45 1.670 3.654 10.425 1.00 0.00 H new ATOM 0 HA ASN A 45 1.389 4.822 12.982 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.140 2.893 11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.003 3.863 12.808 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.896 2.466 14.945 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.839 3.864 13.866 1.00 0.00 H new ATOM 794 N GLU A 46 3.589 6.146 10.924 1.00 0.00 N ATOM 795 CA GLU A 46 4.426 7.316 10.697 1.00 0.00 C ATOM 796 C GLU A 46 3.617 8.599 10.903 1.00 0.00 C ATOM 797 O GLU A 46 2.453 8.689 10.505 1.00 0.00 O ATOM 798 CB GLU A 46 5.042 7.247 9.308 1.00 0.00 C ATOM 799 CG GLU A 46 5.976 6.063 9.150 1.00 0.00 C ATOM 800 CD GLU A 46 7.034 6.025 10.235 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.752 7.038 10.405 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.161 4.993 10.929 1.00 0.00 O ATOM 0 H GLU A 46 3.517 5.514 10.126 1.00 0.00 H new ATOM 0 HA GLU A 46 5.239 7.328 11.422 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.248 7.182 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.590 8.168 9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.398 5.139 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.459 6.110 8.174 1.00 0.00 H new ATOM 809 N PRO A 47 4.204 9.585 11.598 1.00 0.00 N ATOM 810 CA PRO A 47 3.525 10.837 11.940 1.00 0.00 C ATOM 811 C PRO A 47 3.514 11.896 10.840 1.00 0.00 C ATOM 812 O PRO A 47 2.754 12.862 10.930 1.00 0.00 O ATOM 813 CB PRO A 47 4.318 11.357 13.159 1.00 0.00 C ATOM 814 CG PRO A 47 5.368 10.325 13.449 1.00 0.00 C ATOM 815 CD PRO A 47 5.550 9.544 12.178 1.00 0.00 C ATOM 0 HA PRO A 47 2.467 10.646 12.120 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.772 12.324 12.944 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.662 11.497 14.018 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.303 10.796 13.754 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.058 9.673 14.266 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.291 10.000 11.522 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.880 8.523 12.370 1.00 0.00 H new ATOM 823 N THR A 48 4.334 11.753 9.806 1.00 0.00 N ATOM 824 CA THR A 48 4.352 12.748 8.751 1.00 0.00 C ATOM 825 C THR A 48 4.489 12.073 7.402 1.00 0.00 C ATOM 826 O THR A 48 4.814 10.892 7.345 1.00 0.00 O ATOM 827 CB THR A 48 5.515 13.745 8.946 1.00 0.00 C ATOM 828 OG1 THR A 48 6.728 13.036 9.258 1.00 0.00 O ATOM 829 CG2 THR A 48 5.210 14.744 10.053 1.00 0.00 C ATOM 0 H THR A 48 4.981 10.974 9.679 1.00 0.00 H new ATOM 0 HA THR A 48 3.412 13.298 8.793 1.00 0.00 H new ATOM 0 HB THR A 48 5.641 14.295 8.013 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.460 13.677 9.378 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.049 15.431 10.164 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.312 15.306 9.798 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.051 14.211 10.990 1.00 0.00 H new ATOM 837 N GLN A 49 4.264 12.828 6.326 1.00 0.00 N ATOM 838 CA GLN A 49 4.385 12.307 4.966 1.00 0.00 C ATOM 839 C GLN A 49 5.764 11.688 4.759 1.00 0.00 C ATOM 840 O GLN A 49 5.953 10.859 3.873 1.00 0.00 O ATOM 841 CB GLN A 49 4.168 13.424 3.953 1.00 0.00 C ATOM 842 CG GLN A 49 4.161 12.938 2.519 1.00 0.00 C ATOM 843 CD GLN A 49 4.406 14.046 1.522 1.00 0.00 C ATOM 844 OE1 GLN A 49 3.594 14.959 1.371 1.00 0.00 O ATOM 845 NE2 GLN A 49 5.531 13.968 0.839 1.00 0.00 N ATOM 0 H GLN A 49 3.995 13.811 6.373 1.00 0.00 H new ATOM 0 HA GLN A 49 3.624 11.540 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.221 13.920 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.953 14.171 4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.925 12.171 2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.201 12.469 2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.172 13.191 1.000 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.760 14.684 0.150 1.00 0.00 H new ATOM 854 N GLN A 50 6.690 12.096 5.622 1.00 0.00 N ATOM 855 CA GLN A 50 8.067 11.619 5.652 1.00 0.00 C ATOM 856 C GLN A 50 8.130 10.132 5.340 1.00 0.00 C ATOM 857 O GLN A 50 8.329 9.727 4.189 1.00 0.00 O ATOM 858 CB GLN A 50 8.622 11.893 7.056 1.00 0.00 C ATOM 859 CG GLN A 50 10.044 11.423 7.303 1.00 0.00 C ATOM 860 CD GLN A 50 10.434 11.592 8.757 1.00 0.00 C ATOM 861 OE1 GLN A 50 10.718 12.703 9.210 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.416 10.502 9.508 1.00 0.00 N ATOM 0 H GLN A 50 6.495 12.791 6.343 1.00 0.00 H new ATOM 0 HA GLN A 50 8.660 12.136 4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.576 12.966 7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.968 11.414 7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.138 10.375 7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.731 11.987 6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.176 9.601 9.094 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.643 10.563 10.501 1.00 0.00 H new ATOM 871 N GLN A 51 7.929 9.322 6.355 1.00 0.00 N ATOM 872 CA GLN A 51 7.945 7.897 6.165 1.00 0.00 C ATOM 873 C GLN A 51 6.543 7.393 5.893 1.00 0.00 C ATOM 874 O GLN A 51 6.370 6.243 5.554 1.00 0.00 O ATOM 875 CB GLN A 51 8.562 7.185 7.366 1.00 0.00 C ATOM 876 CG GLN A 51 9.968 6.634 7.107 1.00 0.00 C ATOM 877 CD GLN A 51 10.921 7.682 6.578 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.839 8.094 5.425 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.827 8.133 7.418 1.00 0.00 N ATOM 0 H GLN A 51 7.754 9.627 7.313 1.00 0.00 H new ATOM 0 HA GLN A 51 8.568 7.672 5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.604 7.879 8.205 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.910 6.364 7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.367 6.221 8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.905 5.813 6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.867 7.768 8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.490 8.848 7.118 1.00 0.00 H new ATOM 888 N ARG A 52 5.540 8.264 6.007 1.00 0.00 N ATOM 889 CA ARG A 52 4.169 7.851 5.724 1.00 0.00 C ATOM 890 C ARG A 52 4.035 7.629 4.226 1.00 0.00 C ATOM 891 O ARG A 52 3.660 6.548 3.778 1.00 0.00 O ATOM 892 CB ARG A 52 3.145 8.881 6.214 1.00 0.00 C ATOM 893 CG ARG A 52 1.704 8.472 5.952 1.00 0.00 C ATOM 894 CD ARG A 52 0.725 9.208 6.851 1.00 0.00 C ATOM 895 NE ARG A 52 0.695 10.650 6.594 1.00 0.00 N ATOM 896 CZ ARG A 52 0.017 11.511 7.342 1.00 0.00 C ATOM 897 NH1 ARG A 52 -0.737 11.072 8.321 1.00 0.00 N ATOM 898 NH2 ARG A 52 0.053 12.802 7.089 1.00 0.00 N ATOM 0 H ARG A 52 5.648 9.239 6.287 1.00 0.00 H new ATOM 0 HA ARG A 52 3.960 6.927 6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.282 9.037 7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.339 9.836 5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.456 8.670 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.599 7.398 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.274 8.797 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.994 9.034 7.893 1.00 0.00 H new ATOM 0 HE ARG A 52 1.223 11.011 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.801 10.071 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.259 11.732 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.608 13.153 6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.474 13.451 7.673 1.00 0.00 H new ATOM 912 N ALA A 53 4.398 8.637 3.443 1.00 0.00 N ATOM 913 CA ALA A 53 4.358 8.498 1.999 1.00 0.00 C ATOM 914 C ALA A 53 5.454 7.544 1.562 1.00 0.00 C ATOM 915 O ALA A 53 5.214 6.669 0.741 1.00 0.00 O ATOM 916 CB ALA A 53 4.507 9.839 1.304 1.00 0.00 C ATOM 0 H ALA A 53 4.718 9.545 3.780 1.00 0.00 H new ATOM 0 HA ALA A 53 3.386 8.096 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.472 9.695 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.695 10.499 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.461 10.288 1.580 1.00 0.00 H new ATOM 922 N ALA A 54 6.656 7.699 2.128 1.00 0.00 N ATOM 923 CA ALA A 54 7.766 6.819 1.777 1.00 0.00 C ATOM 924 C ALA A 54 7.427 5.358 2.030 1.00 0.00 C ATOM 925 O ALA A 54 7.771 4.504 1.221 1.00 0.00 O ATOM 926 CB ALA A 54 9.022 7.183 2.537 1.00 0.00 C ATOM 0 H ALA A 54 6.879 8.415 2.820 1.00 0.00 H new ATOM 0 HA ALA A 54 7.946 6.956 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.829 6.508 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.306 8.208 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.838 7.096 3.608 1.00 0.00 H new ATOM 932 N MET A 55 6.751 5.062 3.145 1.00 0.00 N ATOM 933 CA MET A 55 6.386 3.696 3.457 1.00 0.00 C ATOM 934 C MET A 55 5.399 3.172 2.424 1.00 0.00 C ATOM 935 O MET A 55 5.490 2.021 2.012 1.00 0.00 O ATOM 936 CB MET A 55 5.812 3.614 4.876 1.00 0.00 C ATOM 937 CG MET A 55 5.583 2.191 5.356 1.00 0.00 C ATOM 938 SD MET A 55 7.069 1.174 5.226 1.00 0.00 S ATOM 939 CE MET A 55 6.449 -0.410 5.780 1.00 0.00 C ATOM 0 H MET A 55 6.452 5.751 3.835 1.00 0.00 H new ATOM 0 HA MET A 55 7.275 3.067 3.421 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.492 4.116 5.564 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.867 4.157 4.909 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.248 2.210 6.393 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.783 1.737 4.771 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.103 -0.805 6.558 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.442 -0.287 6.180 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.424 -1.105 4.940 1.00 0.00 H new ATOM 949 N LEU A 56 4.487 4.036 1.980 1.00 0.00 N ATOM 950 CA LEU A 56 3.513 3.668 0.965 1.00 0.00 C ATOM 951 C LEU A 56 4.241 3.307 -0.334 1.00 0.00 C ATOM 952 O LEU A 56 4.057 2.223 -0.882 1.00 0.00 O ATOM 953 CB LEU A 56 2.547 4.826 0.707 1.00 0.00 C ATOM 954 CG LEU A 56 1.327 4.469 -0.139 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.284 3.754 0.710 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.739 5.712 -0.788 1.00 0.00 C ATOM 0 H LEU A 56 4.406 4.997 2.311 1.00 0.00 H new ATOM 0 HA LEU A 56 2.943 2.809 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.205 5.215 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.091 5.631 0.212 1.00 0.00 H new ATOM 0 HG LEU A 56 1.643 3.794 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.580 3.506 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.713 2.839 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.028 4.405 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.129 5.434 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.436 6.418 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.488 6.176 -1.430 1.00 0.00 H new ATOM 968 N ILE A 57 5.092 4.230 -0.796 1.00 0.00 N ATOM 969 CA ILE A 57 5.887 4.033 -2.016 1.00 0.00 C ATOM 970 C ILE A 57 6.825 2.833 -1.842 1.00 0.00 C ATOM 971 O ILE A 57 7.158 2.136 -2.800 1.00 0.00 O ATOM 972 CB ILE A 57 6.729 5.303 -2.339 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.934 6.569 -2.037 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.157 5.330 -3.804 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.808 7.803 -1.937 1.00 0.00 C ATOM 0 H ILE A 57 5.249 5.129 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 57 5.201 3.846 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 57 7.618 5.266 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.189 6.720 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.392 6.437 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.743 6.229 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.762 4.450 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.273 5.330 -4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.187 8.672 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.536 7.669 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.331 7.956 -2.881 1.00 0.00 H new ATOM 987 N LYS A 58 7.247 2.603 -0.602 1.00 0.00 N ATOM 988 CA LYS A 58 8.147 1.504 -0.279 1.00 0.00 C ATOM 989 C LYS A 58 7.427 0.151 -0.353 1.00 0.00 C ATOM 990 O LYS A 58 8.025 -0.840 -0.776 1.00 0.00 O ATOM 991 CB LYS A 58 8.784 1.723 1.104 1.00 0.00 C ATOM 992 CG LYS A 58 9.903 0.755 1.438 1.00 0.00 C ATOM 993 CD LYS A 58 10.443 0.994 2.843 1.00 0.00 C ATOM 994 CE LYS A 58 11.671 0.144 3.120 1.00 0.00 C ATOM 995 NZ LYS A 58 12.162 0.316 4.509 1.00 0.00 N ATOM 0 H LYS A 58 6.976 3.170 0.201 1.00 0.00 H new ATOM 0 HA LYS A 58 8.943 1.486 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.172 2.740 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.008 1.640 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.537 -0.269 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.709 0.864 0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.694 2.048 2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.669 0.766 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.433 -0.905 2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.462 0.411 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.001 -0.281 4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.414 1.313 4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.416 0.037 5.178 1.00 0.00 H new ATOM 1009 N MET A 59 6.145 0.112 0.030 1.00 0.00 N ATOM 1010 CA MET A 59 5.377 -1.136 -0.045 1.00 0.00 C ATOM 1011 C MET A 59 5.307 -1.570 -1.490 1.00 0.00 C ATOM 1012 O MET A 59 5.591 -2.713 -1.832 1.00 0.00 O ATOM 1013 CB MET A 59 3.924 -0.979 0.410 1.00 0.00 C ATOM 1014 CG MET A 59 3.699 -0.243 1.702 1.00 0.00 C ATOM 1015 SD MET A 59 1.941 -0.049 2.035 1.00 0.00 S ATOM 1016 CE MET A 59 1.325 0.444 0.413 1.00 0.00 C ATOM 0 H MET A 59 5.626 0.914 0.388 1.00 0.00 H new ATOM 0 HA MET A 59 5.883 -1.849 0.606 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.375 -0.462 -0.377 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.487 -1.973 0.504 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.170 -0.786 2.521 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.174 0.737 1.654 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.366 0.950 0.526 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.039 1.120 -0.057 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.197 -0.440 -0.212 1.00 0.00 H new ATOM 1026 N ILE A 60 4.898 -0.619 -2.329 1.00 0.00 N ATOM 1027 CA ILE A 60 4.745 -0.843 -3.757 1.00 0.00 C ATOM 1028 C ILE A 60 6.077 -1.243 -4.403 1.00 0.00 C ATOM 1029 O ILE A 60 6.099 -1.979 -5.388 1.00 0.00 O ATOM 1030 CB ILE A 60 4.175 0.421 -4.432 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.932 0.897 -3.675 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.813 0.135 -5.889 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.647 2.363 -3.863 1.00 0.00 C ATOM 0 H ILE A 60 4.664 0.328 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 60 4.046 -1.667 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 60 4.936 1.201 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.069 0.320 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.061 0.692 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.413 1.039 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.704 -0.183 -6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.063 -0.655 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.754 2.635 -3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.494 2.947 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.486 2.570 -4.921 1.00 0.00 H new ATOM 1045 N LEU A 61 7.185 -0.783 -3.830 1.00 0.00 N ATOM 1046 CA LEU A 61 8.505 -1.122 -4.347 1.00 0.00 C ATOM 1047 C LEU A 61 8.691 -2.643 -4.350 1.00 0.00 C ATOM 1048 O LEU A 61 9.383 -3.193 -5.210 1.00 0.00 O ATOM 1049 CB LEU A 61 9.587 -0.432 -3.499 1.00 0.00 C ATOM 1050 CG LEU A 61 11.012 -0.453 -4.074 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.798 0.750 -3.577 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.744 -1.733 -3.686 1.00 0.00 C ATOM 0 H LEU A 61 7.195 -0.176 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 61 8.597 -0.768 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.293 0.607 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.606 -0.904 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 61 10.933 -0.414 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.806 0.723 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.300 1.666 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.853 0.724 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.749 -1.719 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.806 -1.802 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.200 -2.595 -4.073 1.00 0.00 H new ATOM 1064 N LYS A 62 8.052 -3.320 -3.398 1.00 0.00 N ATOM 1065 CA LYS A 62 8.137 -4.771 -3.304 1.00 0.00 C ATOM 1066 C LYS A 62 6.748 -5.421 -3.178 1.00 0.00 C ATOM 1067 O LYS A 62 6.565 -6.389 -2.435 1.00 0.00 O ATOM 1068 CB LYS A 62 9.004 -5.178 -2.109 1.00 0.00 C ATOM 1069 CG LYS A 62 10.487 -4.868 -2.268 1.00 0.00 C ATOM 1070 CD LYS A 62 11.319 -5.600 -1.224 1.00 0.00 C ATOM 1071 CE LYS A 62 12.814 -5.447 -1.481 1.00 0.00 C ATOM 1072 NZ LYS A 62 13.355 -4.156 -0.970 1.00 0.00 N ATOM 0 H LYS A 62 7.470 -2.885 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 62 8.594 -5.127 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.633 -4.671 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.886 -6.248 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.816 -5.156 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.648 -3.794 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.079 -5.214 -0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.056 -6.658 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.346 -6.272 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.004 -5.517 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.374 -4.103 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.868 -3.366 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.201 -4.097 0.057 1.00 0.00 H new ATOM 1086 N LYS A 63 5.766 -4.900 -3.905 1.00 0.00 N ATOM 1087 CA LYS A 63 4.425 -5.460 -3.866 1.00 0.00 C ATOM 1088 C LYS A 63 4.194 -6.337 -5.104 1.00 0.00 C ATOM 1089 O LYS A 63 5.133 -6.920 -5.647 1.00 0.00 O ATOM 1090 CB LYS A 63 3.394 -4.326 -3.801 1.00 0.00 C ATOM 1091 CG LYS A 63 2.226 -4.584 -2.851 1.00 0.00 C ATOM 1092 CD LYS A 63 2.559 -4.219 -1.399 1.00 0.00 C ATOM 1093 CE LYS A 63 3.360 -5.309 -0.693 1.00 0.00 C ATOM 1094 NZ LYS A 63 2.566 -6.553 -0.502 1.00 0.00 N ATOM 0 H LYS A 63 5.874 -4.096 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 63 4.313 -6.081 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.899 -3.410 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.000 -4.153 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.361 -4.007 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.945 -5.636 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.125 -3.288 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.634 -4.040 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.254 -5.536 -1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.695 -4.941 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.015 -7.143 0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.601 -6.306 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.527 -7.081 -1.397 1.00 0.00 H new ATOM 1108 N ASP A 64 2.954 -6.415 -5.559 1.00 0.00 N ATOM 1109 CA ASP A 64 2.618 -7.204 -6.739 1.00 0.00 C ATOM 1110 C ASP A 64 2.023 -6.315 -7.809 1.00 0.00 C ATOM 1111 O ASP A 64 1.560 -5.211 -7.522 1.00 0.00 O ATOM 1112 CB ASP A 64 1.610 -8.311 -6.406 1.00 0.00 C ATOM 1113 CG ASP A 64 2.216 -9.504 -5.696 1.00 0.00 C ATOM 1114 OD1 ASP A 64 2.761 -9.331 -4.586 1.00 0.00 O ATOM 1115 OD2 ASP A 64 2.136 -10.622 -6.241 1.00 0.00 O ATOM 0 H ASP A 64 2.159 -5.941 -5.129 1.00 0.00 H new ATOM 0 HA ASP A 64 3.540 -7.661 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.820 -7.893 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.141 -8.651 -7.329 1.00 0.00 H new ATOM 1120 N ASN A 65 2.017 -6.816 -9.037 1.00 0.00 N ATOM 1121 CA ASN A 65 1.454 -6.091 -10.166 1.00 0.00 C ATOM 1122 C ASN A 65 -0.011 -5.806 -9.900 1.00 0.00 C ATOM 1123 O ASN A 65 -0.498 -4.715 -10.168 1.00 0.00 O ATOM 1124 CB ASN A 65 1.596 -6.921 -11.447 1.00 0.00 C ATOM 1125 CG ASN A 65 1.386 -6.103 -12.708 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.407 -5.374 -12.847 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.298 -6.245 -13.647 1.00 0.00 N ATOM 0 H ASN A 65 2.400 -7.731 -9.277 1.00 0.00 H new ATOM 0 HA ASN A 65 1.991 -5.151 -10.294 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.588 -7.372 -11.474 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.875 -7.738 -11.426 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.206 -5.740 -14.528 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.097 -6.860 -13.493 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.695 -6.799 -9.353 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.105 -6.671 -9.031 1.00 0.00 C ATOM 1136 C ASP A 66 -2.331 -5.507 -8.057 1.00 0.00 C ATOM 1137 O ASP A 66 -3.246 -4.699 -8.239 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.633 -7.985 -8.450 1.00 0.00 C ATOM 1139 CG ASP A 66 -4.146 -8.045 -8.413 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.780 -7.780 -9.454 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.703 -8.393 -7.354 1.00 0.00 O ATOM 0 H ASP A 66 -0.292 -7.707 -9.122 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.657 -6.454 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.255 -8.817 -9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.244 -8.112 -7.440 1.00 0.00 H new ATOM 1146 N SER A 67 -1.471 -5.398 -7.039 1.00 0.00 N ATOM 1147 CA SER A 67 -1.570 -4.308 -6.067 1.00 0.00 C ATOM 1148 C SER A 67 -1.158 -3.005 -6.703 1.00 0.00 C ATOM 1149 O SER A 67 -1.618 -1.938 -6.314 1.00 0.00 O ATOM 1150 CB SER A 67 -0.667 -4.537 -4.870 1.00 0.00 C ATOM 1151 OG SER A 67 -0.282 -5.896 -4.749 1.00 0.00 O ATOM 0 H SER A 67 -0.703 -6.048 -6.868 1.00 0.00 H new ATOM 0 HA SER A 67 -2.609 -4.273 -5.738 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.223 -3.915 -4.963 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.182 -4.224 -3.962 1.00 0.00 H new ATOM 0 HG SER A 67 0.017 -6.071 -3.832 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.284 -3.099 -7.678 1.00 0.00 N ATOM 1158 CA TYR A 68 0.193 -1.930 -8.376 1.00 0.00 C ATOM 1159 C TYR A 68 -0.949 -1.337 -9.173 1.00 0.00 C ATOM 1160 O TYR A 68 -1.152 -0.127 -9.162 1.00 0.00 O ATOM 1161 CB TYR A 68 1.352 -2.310 -9.277 1.00 0.00 C ATOM 1162 CG TYR A 68 2.043 -1.142 -9.922 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.302 0.022 -9.213 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.438 -1.212 -11.242 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.943 1.084 -9.813 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.077 -0.158 -11.845 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.325 0.985 -11.133 1.00 0.00 C ATOM 1168 OH TYR A 68 3.965 2.028 -11.741 1.00 0.00 O ATOM 0 H TYR A 68 0.113 -3.979 -8.007 1.00 0.00 H new ATOM 0 HA TYR A 68 0.551 -1.184 -7.666 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.081 -2.872 -8.693 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.986 -2.977 -10.058 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.998 0.097 -8.179 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.241 -2.110 -11.809 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.144 1.986 -9.254 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.383 -0.230 -12.878 1.00 0.00 H new ATOM 0 HH TYR A 68 4.770 1.699 -12.193 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.724 -2.201 -9.822 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.886 -1.739 -10.573 1.00 0.00 C ATOM 1180 C VAL A 69 -3.913 -1.169 -9.584 1.00 0.00 C ATOM 1181 O VAL A 69 -4.662 -0.253 -9.909 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.539 -2.846 -11.428 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.499 -2.235 -12.440 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.482 -3.667 -12.144 1.00 0.00 C ATOM 0 H VAL A 69 -1.572 -3.209 -9.844 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.545 -0.974 -11.271 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.097 -3.505 -10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.952 -3.027 -13.036 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.279 -1.684 -11.915 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.953 -1.555 -13.095 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.965 -4.441 -12.740 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.897 -3.018 -12.796 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.824 -4.132 -11.410 1.00 0.00 H new ATOM 1194 N SER A 70 -3.896 -1.686 -8.347 1.00 0.00 N ATOM 1195 CA SER A 70 -4.778 -1.189 -7.288 1.00 0.00 C ATOM 1196 C SER A 70 -4.302 0.202 -6.887 1.00 0.00 C ATOM 1197 O SER A 70 -5.079 1.158 -6.915 1.00 0.00 O ATOM 1198 CB SER A 70 -4.773 -2.137 -6.085 1.00 0.00 C ATOM 1199 OG SER A 70 -5.593 -1.654 -5.034 1.00 0.00 O ATOM 0 H SER A 70 -3.281 -2.447 -8.058 1.00 0.00 H new ATOM 0 HA SER A 70 -5.804 -1.138 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.122 -3.122 -6.396 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.752 -2.260 -5.723 1.00 0.00 H new ATOM 0 HG SER A 70 -6.437 -2.152 -5.023 1.00 0.00 H new ATOM 1205 N PHE A 71 -3.004 0.327 -6.560 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.428 1.637 -6.218 1.00 0.00 C ATOM 1207 C PHE A 71 -2.697 2.611 -7.376 1.00 0.00 C ATOM 1208 O PHE A 71 -3.041 3.774 -7.169 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.918 1.524 -5.923 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.202 2.847 -5.872 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.520 3.790 -4.905 1.00 0.00 C ATOM 1212 CD2 PHE A 71 0.798 3.138 -6.784 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.145 5.000 -4.852 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.468 4.347 -6.737 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.141 5.280 -5.767 1.00 0.00 C ATOM 0 H PHE A 71 -2.344 -0.450 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.899 2.014 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.782 1.012 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.455 0.901 -6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.296 3.576 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.058 2.413 -7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.114 5.726 -4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.245 4.563 -7.455 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.664 6.224 -5.726 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.585 2.087 -8.597 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.858 2.843 -9.826 1.00 0.00 C ATOM 1227 C TYR A 72 -4.282 3.388 -9.796 1.00 0.00 C ATOM 1228 O TYR A 72 -4.528 4.564 -10.066 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.683 1.895 -11.020 1.00 0.00 C ATOM 1230 CG TYR A 72 -3.049 2.463 -12.381 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.133 3.192 -13.128 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.312 2.248 -12.926 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.464 3.689 -14.377 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.648 2.748 -14.171 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.721 3.465 -14.892 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.052 3.953 -16.137 1.00 0.00 O ATOM 0 H TYR A 72 -2.301 1.122 -8.765 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.170 3.684 -9.911 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.643 1.571 -11.052 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.289 1.006 -10.845 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.146 3.374 -12.728 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.042 1.681 -12.367 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.738 4.251 -14.946 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.634 2.576 -14.576 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.976 3.705 -16.350 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.212 2.507 -9.455 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.629 2.846 -9.366 1.00 0.00 C ATOM 1248 C ASN A 73 -6.890 3.867 -8.255 1.00 0.00 C ATOM 1249 O ASN A 73 -7.718 4.769 -8.408 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.439 1.565 -9.140 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.892 1.827 -8.806 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.597 2.530 -9.527 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.355 1.234 -7.724 1.00 0.00 N ATOM 0 H ASN A 73 -5.006 1.533 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.942 3.309 -10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.385 0.946 -10.036 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.984 0.994 -8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.333 1.350 -7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.736 0.659 -7.153 1.00 0.00 H new ATOM 1260 N ALA A 74 -6.166 3.731 -7.147 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.305 4.649 -6.023 1.00 0.00 C ATOM 1262 C ALA A 74 -5.869 6.048 -6.428 1.00 0.00 C ATOM 1263 O ALA A 74 -6.464 7.038 -6.007 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.502 4.168 -4.824 1.00 0.00 C ATOM 0 H ALA A 74 -5.477 2.993 -7.005 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.356 4.679 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.623 4.871 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.859 3.185 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.448 4.104 -5.094 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.854 6.119 -7.277 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.363 7.390 -7.780 1.00 0.00 C ATOM 1272 C LEU A 75 -5.485 8.075 -8.546 1.00 0.00 C ATOM 1273 O LEU A 75 -5.744 9.263 -8.381 1.00 0.00 O ATOM 1274 CB LEU A 75 -3.162 7.166 -8.706 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.924 6.554 -8.053 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.919 6.117 -9.109 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.285 7.545 -7.099 1.00 0.00 C ATOM 0 H LEU A 75 -4.353 5.305 -7.633 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.043 8.015 -6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.475 6.519 -9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.882 8.124 -9.145 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.235 5.675 -7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.045 5.684 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.377 5.373 -9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.614 6.980 -9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.404 7.094 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.991 8.440 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.000 7.814 -6.321 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.167 7.292 -9.366 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.284 7.784 -10.160 1.00 0.00 C ATOM 1291 C LEU A 76 -8.459 8.200 -9.277 1.00 0.00 C ATOM 1292 O LEU A 76 -9.359 8.902 -9.739 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.737 6.718 -11.165 1.00 0.00 C ATOM 1294 CG LEU A 76 -7.042 6.751 -12.529 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.529 6.671 -12.381 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.546 5.618 -13.404 1.00 0.00 C ATOM 0 H LEU A 76 -5.964 6.301 -9.501 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.940 8.665 -10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.578 5.736 -10.721 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.810 6.826 -11.322 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.283 7.701 -13.005 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.065 6.697 -13.367 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.176 7.517 -11.792 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.261 5.742 -11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.043 5.654 -14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.336 4.664 -12.921 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.621 5.722 -13.550 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.462 7.785 -8.013 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.552 8.161 -7.127 1.00 0.00 C ATOM 1310 C HIS A 77 -9.347 9.573 -6.617 1.00 0.00 C ATOM 1311 O HIS A 77 -10.306 10.325 -6.458 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.707 7.217 -5.921 1.00 0.00 C ATOM 1313 CG HIS A 77 -11.138 7.112 -5.476 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.886 8.201 -5.070 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -11.971 6.045 -5.407 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -13.113 7.806 -4.780 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -13.186 6.504 -4.975 1.00 0.00 N ATOM 0 H HIS A 77 -7.740 7.203 -7.590 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.463 8.091 -7.721 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.334 6.227 -6.184 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.095 7.579 -5.095 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -11.544 9.160 -5.004 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.722 5.022 -5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.918 8.441 -4.441 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.105 9.935 -6.332 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.853 11.272 -5.802 1.00 0.00 C ATOM 1328 C GLU A 78 -7.135 12.200 -6.795 1.00 0.00 C ATOM 1329 O GLU A 78 -6.358 13.067 -6.396 1.00 0.00 O ATOM 1330 CB GLU A 78 -7.082 11.176 -4.483 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.766 10.306 -3.440 1.00 0.00 C ATOM 1332 CD GLU A 78 -9.198 10.728 -3.158 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.412 11.886 -2.737 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -10.114 9.893 -3.343 1.00 0.00 O ATOM 0 H GLU A 78 -7.280 9.347 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.826 11.729 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.087 10.777 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.948 12.178 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.759 9.270 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.194 10.342 -2.513 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.457 12.057 -8.078 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.909 12.932 -9.115 1.00 0.00 C ATOM 1343 C GLY A 79 -5.421 12.760 -9.450 1.00 0.00 C ATOM 1344 O GLY A 79 -4.779 13.720 -9.861 1.00 0.00 O ATOM 0 H GLY A 79 -8.096 11.342 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.483 12.777 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.071 13.965 -8.808 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.874 11.559 -9.322 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.465 11.331 -9.668 1.00 0.00 C ATOM 1350 C TYR A 80 -3.382 10.528 -10.967 1.00 0.00 C ATOM 1351 O TYR A 80 -2.669 9.523 -11.057 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.704 10.588 -8.561 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.543 11.343 -7.257 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -3.624 11.951 -6.636 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -1.304 11.431 -6.639 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -3.476 12.623 -5.439 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -1.151 12.102 -5.444 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.237 12.695 -4.849 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.083 13.362 -3.656 1.00 0.00 O ATOM 0 H TYR A 80 -5.370 10.734 -8.986 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.997 12.308 -9.791 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.221 9.650 -8.356 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.713 10.330 -8.936 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.599 11.898 -7.097 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.446 10.967 -7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.329 13.089 -4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.179 12.161 -4.977 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.914 13.305 -3.140 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.142 10.968 -11.958 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.204 10.299 -13.252 1.00 0.00 C ATOM 1371 C LYS A 81 -2.906 10.444 -14.048 1.00 0.00 C ATOM 1372 O LYS A 81 -2.570 9.582 -14.859 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.382 10.866 -14.053 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.627 10.162 -15.379 1.00 0.00 C ATOM 1375 CD LYS A 81 -6.781 10.788 -16.144 1.00 0.00 C ATOM 1376 CE LYS A 81 -6.955 10.157 -17.526 1.00 0.00 C ATOM 1377 NZ LYS A 81 -8.070 10.774 -18.286 1.00 0.00 N ATOM 0 H LYS A 81 -4.733 11.797 -11.890 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.346 9.233 -13.073 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.285 10.800 -13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.202 11.924 -14.243 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.723 10.205 -15.986 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.840 9.108 -15.198 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.702 10.671 -15.573 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.607 11.859 -16.253 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.029 10.263 -18.091 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.140 9.089 -17.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.152 10.316 -19.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.959 10.651 -17.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.882 11.789 -18.415 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.185 11.538 -13.840 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.943 11.778 -14.577 1.00 0.00 C ATOM 1393 C ASP A 82 0.191 10.873 -14.103 1.00 0.00 C ATOM 1394 O ASP A 82 0.868 10.254 -14.924 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.550 13.254 -14.498 1.00 0.00 C ATOM 1396 CG ASP A 82 -1.603 14.150 -15.121 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -1.962 13.931 -16.297 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -2.091 15.075 -14.434 1.00 0.00 O ATOM 0 H ASP A 82 -2.433 12.270 -13.174 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.126 11.527 -15.622 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.403 13.536 -13.455 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.403 13.404 -15.006 1.00 0.00 H new ATOM 1403 N LEU A 83 0.386 10.769 -12.794 1.00 0.00 N ATOM 1404 CA LEU A 83 1.432 9.895 -12.258 1.00 0.00 C ATOM 1405 C LEU A 83 1.135 8.471 -12.704 1.00 0.00 C ATOM 1406 O LEU A 83 2.009 7.758 -13.185 1.00 0.00 O ATOM 1407 CB LEU A 83 1.472 9.965 -10.725 1.00 0.00 C ATOM 1408 CG LEU A 83 2.848 9.774 -10.060 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.548 8.500 -10.522 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.739 10.974 -10.315 1.00 0.00 C ATOM 0 H LEU A 83 -0.156 11.270 -12.090 1.00 0.00 H new ATOM 0 HA LEU A 83 2.404 10.218 -12.632 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.077 10.934 -10.418 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.796 9.206 -10.332 1.00 0.00 H new ATOM 0 HG LEU A 83 2.666 9.679 -8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.513 8.414 -10.023 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.932 7.636 -10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.699 8.539 -11.601 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.706 10.818 -9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.882 11.100 -11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.271 11.869 -9.904 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.128 8.084 -12.563 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.583 6.759 -12.960 1.00 0.00 C ATOM 1424 C ALA A 84 -0.357 6.523 -14.451 1.00 0.00 C ATOM 1425 O ALA A 84 -0.019 5.418 -14.858 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.045 6.586 -12.601 1.00 0.00 C ATOM 0 H ALA A 84 -0.860 8.677 -12.173 1.00 0.00 H new ATOM 0 HA ALA A 84 0.002 6.016 -12.418 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.378 5.593 -12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.171 6.701 -11.525 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.638 7.339 -13.119 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.517 7.568 -15.262 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.290 7.451 -16.702 1.00 0.00 C ATOM 1434 C ALA A 85 1.169 7.121 -16.950 1.00 0.00 C ATOM 1435 O ALA A 85 1.498 6.305 -17.811 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.679 8.729 -17.429 1.00 0.00 C ATOM 0 H ALA A 85 -0.800 8.497 -14.950 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.918 6.650 -17.093 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.498 8.609 -18.497 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.736 8.936 -17.261 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.082 9.559 -17.051 1.00 0.00 H new ATOM 1442 N LEU A 86 2.041 7.723 -16.151 1.00 0.00 N ATOM 1443 CA LEU A 86 3.474 7.456 -16.239 1.00 0.00 C ATOM 1444 C LEU A 86 3.749 5.981 -15.938 1.00 0.00 C ATOM 1445 O LEU A 86 4.774 5.429 -16.339 1.00 0.00 O ATOM 1446 CB LEU A 86 4.224 8.317 -15.226 1.00 0.00 C ATOM 1447 CG LEU A 86 4.164 9.827 -15.469 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.651 10.587 -14.246 1.00 0.00 C ATOM 1449 CD2 LEU A 86 5.010 10.184 -16.680 1.00 0.00 C ATOM 0 H LEU A 86 1.782 8.400 -15.434 1.00 0.00 H new ATOM 0 HA LEU A 86 3.814 7.694 -17.247 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.824 8.111 -14.233 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.270 8.010 -15.218 1.00 0.00 H new ATOM 0 HG LEU A 86 3.129 10.111 -15.657 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.600 11.658 -14.439 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.021 10.342 -13.391 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.682 10.306 -14.029 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.965 11.260 -16.851 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.044 9.887 -16.502 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.629 9.661 -17.557 1.00 0.00 H new ATOM 1461 N LEU A 87 2.832 5.366 -15.199 1.00 0.00 N ATOM 1462 CA LEU A 87 2.959 3.975 -14.796 1.00 0.00 C ATOM 1463 C LEU A 87 2.151 3.042 -15.697 1.00 0.00 C ATOM 1464 O LEU A 87 2.329 1.825 -15.662 1.00 0.00 O ATOM 1465 CB LEU A 87 2.468 3.821 -13.361 1.00 0.00 C ATOM 1466 CG LEU A 87 2.757 4.996 -12.415 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.428 4.612 -10.980 1.00 0.00 C ATOM 1468 CD2 LEU A 87 4.209 5.431 -12.523 1.00 0.00 C ATOM 0 H LEU A 87 1.982 5.819 -14.864 1.00 0.00 H new ATOM 0 HA LEU A 87 4.010 3.700 -14.879 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.391 3.656 -13.383 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.919 2.923 -12.939 1.00 0.00 H new ATOM 0 HG LEU A 87 2.125 5.834 -12.709 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.638 5.454 -10.321 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.373 4.348 -10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.037 3.758 -10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.391 6.264 -11.844 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.859 4.598 -12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.420 5.743 -13.546 1.00 0.00 H new ATOM 1480 N HIS A 88 1.254 3.625 -16.490 1.00 0.00 N ATOM 1481 CA HIS A 88 0.387 2.876 -17.402 1.00 0.00 C ATOM 1482 C HIS A 88 1.222 2.056 -18.380 1.00 0.00 C ATOM 1483 O HIS A 88 0.749 1.073 -18.947 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.508 3.843 -18.175 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.705 3.199 -18.820 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.426 3.804 -19.824 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.329 2.021 -18.572 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.432 3.029 -20.170 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.400 1.940 -19.427 1.00 0.00 N ATOM 0 H HIS A 88 1.106 4.634 -16.519 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.232 2.197 -16.815 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.852 4.623 -17.496 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.087 4.332 -18.947 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.038 1.284 -17.838 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.162 3.248 -20.935 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.062 1.165 -19.479 1.00 0.00 H new ATOM 1498 N ASP A 89 2.468 2.474 -18.550 1.00 0.00 N ATOM 1499 CA ASP A 89 3.401 1.790 -19.441 1.00 0.00 C ATOM 1500 C ASP A 89 3.760 0.416 -18.887 1.00 0.00 C ATOM 1501 O ASP A 89 4.143 -0.492 -19.630 1.00 0.00 O ATOM 1502 CB ASP A 89 4.659 2.638 -19.645 1.00 0.00 C ATOM 1503 CG ASP A 89 5.702 1.939 -20.501 1.00 0.00 C ATOM 1504 OD1 ASP A 89 5.652 2.087 -21.739 1.00 0.00 O ATOM 1505 OD2 ASP A 89 6.557 1.210 -19.946 1.00 0.00 O ATOM 0 H ASP A 89 2.861 3.290 -18.080 1.00 0.00 H new ATOM 0 HA ASP A 89 2.919 1.651 -20.409 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.384 3.583 -20.113 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.092 2.878 -18.674 1.00 0.00 H new ATOM 1510 N GLY A 90 3.623 0.261 -17.576 1.00 0.00 N ATOM 1511 CA GLY A 90 3.919 -1.005 -16.946 1.00 0.00 C ATOM 1512 C GLY A 90 2.655 -1.787 -16.615 1.00 0.00 C ATOM 1513 O GLY A 90 2.705 -3.001 -16.435 1.00 0.00 O ATOM 0 H GLY A 90 3.311 0.994 -16.939 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.551 -1.599 -17.606 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.487 -0.831 -16.032 1.00 0.00 H new ATOM 1517 N ILE A 91 1.525 -1.088 -16.522 1.00 0.00 N ATOM 1518 CA ILE A 91 0.257 -1.734 -16.203 1.00 0.00 C ATOM 1519 C ILE A 91 -0.241 -2.532 -17.404 1.00 0.00 C ATOM 1520 O ILE A 91 -0.529 -1.953 -18.450 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.812 -0.697 -15.805 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.278 0.260 -14.732 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.074 -1.394 -15.312 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.175 -0.423 -13.457 1.00 0.00 C ATOM 0 H ILE A 91 1.463 -0.080 -16.663 1.00 0.00 H new ATOM 0 HA ILE A 91 0.427 -2.403 -15.359 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.059 -0.111 -16.690 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.559 0.822 -15.147 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.056 0.983 -14.487 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.818 -0.647 -15.035 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.473 -2.027 -16.104 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.835 -2.007 -14.443 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.538 0.325 -12.752 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.663 -0.961 -13.015 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.977 -1.125 -13.685 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.336 -3.870 -17.270 1.00 0.00 N ATOM 1537 CA PRO A 92 -0.787 -4.754 -18.354 1.00 0.00 C ATOM 1538 C PRO A 92 -2.220 -4.464 -18.802 1.00 0.00 C ATOM 1539 O PRO A 92 -2.446 -3.917 -19.883 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.695 -6.157 -17.739 1.00 0.00 C ATOM 1541 CG PRO A 92 0.225 -6.013 -16.576 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.003 -4.630 -16.051 1.00 0.00 C ATOM 0 HA PRO A 92 -0.182 -4.623 -19.251 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.675 -6.514 -17.424 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.309 -6.878 -18.459 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.012 -6.762 -15.813 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.263 -6.151 -16.878 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.813 -4.602 -15.323 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.884 -4.234 -15.556 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.184 -4.836 -17.973 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.581 -4.613 -18.301 1.00 0.00 C ATOM 1552 C VAL A 93 -5.299 -3.807 -17.218 1.00 0.00 C ATOM 1553 O VAL A 93 -5.181 -4.096 -16.024 1.00 0.00 O ATOM 1554 CB VAL A 93 -5.339 -5.943 -18.530 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -4.829 -6.643 -19.780 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -5.217 -6.866 -17.319 1.00 0.00 C ATOM 0 H VAL A 93 -3.025 -5.291 -17.074 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.584 -4.040 -19.228 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.393 -5.704 -18.668 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.375 -7.576 -19.923 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.980 -5.998 -20.646 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.766 -6.858 -19.669 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.760 -7.792 -17.511 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.166 -7.092 -17.138 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.638 -6.374 -16.442 1.00 0.00 H new ATOM 1566 N VAL A 94 -6.042 -2.805 -17.657 1.00 0.00 N ATOM 1567 CA VAL A 94 -6.808 -1.944 -16.763 1.00 0.00 C ATOM 1568 C VAL A 94 -7.961 -1.311 -17.551 1.00 0.00 C ATOM 1569 O VAL A 94 -8.328 -0.144 -17.379 1.00 0.00 O ATOM 1570 CB VAL A 94 -5.897 -0.871 -16.104 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -5.359 0.122 -17.126 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -6.627 -0.157 -14.970 1.00 0.00 C ATOM 0 H VAL A 94 -6.133 -2.563 -18.644 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.224 -2.538 -15.949 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.038 -1.390 -15.679 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.727 0.855 -16.624 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.773 -0.409 -17.876 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.191 0.632 -17.611 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.968 0.589 -14.526 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.518 0.334 -15.363 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.918 -0.883 -14.211 1.00 0.00 H new ATOM 1582 N SER A 95 -8.539 -2.126 -18.418 1.00 0.00 N ATOM 1583 CA SER A 95 -9.651 -1.719 -19.258 1.00 0.00 C ATOM 1584 C SER A 95 -10.330 -2.961 -19.831 1.00 0.00 C ATOM 1585 O SER A 95 -9.938 -4.084 -19.507 1.00 0.00 O ATOM 1586 CB SER A 95 -9.164 -0.800 -20.381 1.00 0.00 C ATOM 1587 OG SER A 95 -8.059 -1.365 -21.070 1.00 0.00 O ATOM 0 H SER A 95 -8.248 -3.093 -18.559 1.00 0.00 H new ATOM 0 HA SER A 95 -10.372 -1.163 -18.660 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.978 -0.618 -21.083 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.880 0.166 -19.965 1.00 0.00 H new ATOM 0 HG SER A 95 -7.772 -0.756 -21.782 1.00 0.00 H new ATOM 1593 N SER A 96 -11.330 -2.769 -20.677 1.00 0.00 N ATOM 1594 CA SER A 96 -12.042 -3.886 -21.281 1.00 0.00 C ATOM 1595 C SER A 96 -11.216 -4.516 -22.402 1.00 0.00 C ATOM 1596 O SER A 96 -10.900 -3.865 -23.400 1.00 0.00 O ATOM 1597 CB SER A 96 -13.394 -3.413 -21.809 1.00 0.00 C ATOM 1598 OG SER A 96 -14.157 -2.806 -20.770 1.00 0.00 O ATOM 0 H SER A 96 -11.668 -1.850 -20.962 1.00 0.00 H new ATOM 0 HA SER A 96 -12.207 -4.648 -20.519 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.244 -2.701 -22.620 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.943 -4.258 -22.224 1.00 0.00 H new ATOM 0 HG SER A 96 -15.019 -2.508 -21.129 1.00 0.00 H new ATOM 1604 N SER A 97 -10.856 -5.781 -22.224 1.00 0.00 N ATOM 1605 CA SER A 97 -10.057 -6.494 -23.210 1.00 0.00 C ATOM 1606 C SER A 97 -10.933 -7.408 -24.061 1.00 0.00 C ATOM 1607 O SER A 97 -10.517 -7.751 -25.185 1.00 0.00 O ATOM 1608 CB SER A 97 -8.957 -7.305 -22.515 1.00 0.00 C ATOM 1609 OG SER A 97 -8.117 -6.460 -21.740 1.00 0.00 O ATOM 1610 OXT SER A 97 -12.029 -7.791 -23.596 1.00 0.00 O ATOM 0 H SER A 97 -11.106 -6.334 -21.404 1.00 0.00 H new ATOM 0 HA SER A 97 -9.591 -5.761 -23.868 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.408 -8.063 -21.874 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.361 -7.832 -23.261 1.00 0.00 H new ATOM 0 HG SER A 97 -7.424 -6.998 -21.304 1.00 0.00 H new TER 1616 SER A 97