USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 663 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 SER OG : rot 180:sc= 0.0148 USER MOD Set 1.2: A 75 THR OG1 : rot -166:sc= 0.286 USER MOD Set 2.1: A 34 GLN : amide:sc= 0.307 K(o=4.1,f=-4!) USER MOD Set 2.2: A 38 ASN : amide:sc= 2.61 K(o=4.1,f=-5) USER MOD Set 2.3: A 48 LYS NZ :NH3+ 145:sc= 1.17 (180deg=-0.486) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.06) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 81:sc= 1.08 USER MOD Single : A 8 GLN : amide:sc=-0.00223 X(o=-0.0022,f=-0.39) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -167:sc= -0.0453 (180deg=-0.319) USER MOD Single : A 21 HIS : +bothHN:sc= -0.932 K(o=-0.93,f=-10!) USER MOD Single : A 27 HIS : no HD1:sc= 0.972 K(o=0.97,f=-3.4!) USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= 1.61 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.133) USER MOD Single : A 42 SER OG : rot 2:sc= 0.927 USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= 2.3 (180deg=0.287) USER MOD Single : A 57 GLN : amide:sc= -2.93! C(o=-2.9!,f=-5.9!) USER MOD Single : A 59 TYR OH : rot 91:sc= 0.0629 USER MOD Single : A 60 THR OG1 : rot 82:sc= 0.524 USER MOD Single : A 63 ASN : amide:sc= 1.23 K(o=1.2,f=-0.006) USER MOD Single : A 74 GLN : amide:sc= -3.24! C(o=-3.2!,f=-5.1!) USER MOD Single : A 80 SER OG : rot 180:sc= 0.00392 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -11.010 6.855 -0.860 1.00 0.00 N ATOM 2 CA GLY A 2 -10.424 7.849 0.016 1.00 0.00 C ATOM 3 C GLY A 2 -8.950 8.020 -0.181 1.00 0.00 C ATOM 4 O GLY A 2 -8.451 9.152 -0.222 1.00 0.00 O ATOM 0 HA2 GLY A 2 -10.919 8.806 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.614 7.567 1.052 1.00 0.00 H new ATOM 10 N ILE A 3 -8.239 6.919 -0.345 1.00 0.00 N ATOM 11 CA ILE A 3 -6.787 6.955 -0.429 1.00 0.00 C ATOM 12 C ILE A 3 -6.287 7.680 -1.707 1.00 0.00 C ATOM 13 O ILE A 3 -5.203 8.265 -1.723 1.00 0.00 O ATOM 14 CB ILE A 3 -6.181 5.520 -0.366 1.00 0.00 C ATOM 15 CG1 ILE A 3 -4.728 5.561 0.071 1.00 0.00 C ATOM 16 CG2 ILE A 3 -6.312 4.781 -1.694 1.00 0.00 C ATOM 17 CD1 ILE A 3 -4.554 5.928 1.532 1.00 0.00 C ATOM 0 H ILE A 3 -8.643 5.986 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.445 7.525 0.435 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.757 4.968 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.274 4.587 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.190 6.282 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.876 3.786 -1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.366 4.692 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.788 5.336 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.493 5.940 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.980 6.915 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.064 5.193 2.155 1.00 0.00 H new ATOM 29 N LYS A 4 -7.116 7.683 -2.740 1.00 0.00 N ATOM 30 CA LYS A 4 -6.740 8.197 -4.049 1.00 0.00 C ATOM 31 C LYS A 4 -6.505 9.718 -4.066 1.00 0.00 C ATOM 32 O LYS A 4 -5.829 10.232 -4.960 1.00 0.00 O ATOM 33 CB LYS A 4 -7.784 7.782 -5.105 1.00 0.00 C ATOM 34 CG LYS A 4 -7.403 8.133 -6.545 1.00 0.00 C ATOM 35 CD LYS A 4 -8.479 7.742 -7.551 1.00 0.00 C ATOM 36 CE LYS A 4 -8.724 6.239 -7.594 1.00 0.00 C ATOM 37 NZ LYS A 4 -9.709 5.879 -8.636 1.00 0.00 N ATOM 0 H LYS A 4 -8.071 7.328 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.779 7.748 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.944 6.706 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.734 8.261 -4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.217 9.205 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.471 7.630 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.409 8.251 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.186 8.087 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.784 5.722 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.081 5.900 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.727 4.846 -8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.652 6.212 -8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.441 6.326 -9.536 1.00 0.00 H new ATOM 51 N GLN A 5 -7.003 10.432 -3.083 1.00 0.00 N ATOM 52 CA GLN A 5 -6.881 11.885 -3.108 1.00 0.00 C ATOM 53 C GLN A 5 -5.670 12.380 -2.304 1.00 0.00 C ATOM 54 O GLN A 5 -5.453 13.597 -2.173 1.00 0.00 O ATOM 55 CB GLN A 5 -8.162 12.551 -2.611 1.00 0.00 C ATOM 56 CG GLN A 5 -8.418 12.413 -1.125 1.00 0.00 C ATOM 57 CD GLN A 5 -9.697 13.086 -0.719 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.719 14.273 -0.416 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.758 12.349 -0.688 1.00 0.00 N ATOM 0 H GLN A 5 -7.487 10.049 -2.271 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.720 12.170 -4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.123 13.611 -2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.008 12.126 -3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.462 11.357 -0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.586 12.847 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.703 11.364 -0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.651 12.752 -0.405 1.00 0.00 H new ATOM 68 N TYR A 6 -4.881 11.460 -1.784 1.00 0.00 N ATOM 69 CA TYR A 6 -3.735 11.847 -0.989 1.00 0.00 C ATOM 70 C TYR A 6 -2.504 12.112 -1.836 1.00 0.00 C ATOM 71 O TYR A 6 -2.392 11.638 -2.980 1.00 0.00 O ATOM 72 CB TYR A 6 -3.442 10.849 0.125 1.00 0.00 C ATOM 73 CG TYR A 6 -4.529 10.780 1.166 1.00 0.00 C ATOM 74 CD1 TYR A 6 -4.790 11.861 1.986 1.00 0.00 C ATOM 75 CD2 TYR A 6 -5.287 9.645 1.326 1.00 0.00 C ATOM 76 CE1 TYR A 6 -5.776 11.813 2.932 1.00 0.00 C ATOM 77 CE2 TYR A 6 -6.284 9.581 2.278 1.00 0.00 C ATOM 78 CZ TYR A 6 -6.522 10.675 3.077 1.00 0.00 C ATOM 79 OH TYR A 6 -7.520 10.646 4.017 1.00 0.00 O ATOM 0 H TYR A 6 -5.010 10.454 -1.896 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.002 12.791 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.303 9.860 -0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.503 11.120 0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.204 12.761 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.099 8.788 0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.965 12.670 3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.871 8.682 2.394 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.961 9.771 3.999 1.00 0.00 H new ATOM 89 N SER A 7 -1.611 12.873 -1.268 1.00 0.00 N ATOM 90 CA SER A 7 -0.396 13.329 -1.904 1.00 0.00 C ATOM 91 C SER A 7 0.735 12.316 -1.697 1.00 0.00 C ATOM 92 O SER A 7 0.607 11.390 -0.913 1.00 0.00 O ATOM 93 CB SER A 7 -0.047 14.667 -1.274 1.00 0.00 C ATOM 94 OG SER A 7 -1.243 15.422 -1.031 1.00 0.00 O ATOM 0 H SER A 7 -1.709 13.209 -0.310 1.00 0.00 H new ATOM 0 HA SER A 7 -0.534 13.433 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.489 14.509 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.618 15.226 -1.932 1.00 0.00 H new ATOM 0 HG SER A 7 -1.663 15.111 -0.202 1.00 0.00 H new ATOM 100 N GLN A 8 1.839 12.530 -2.373 1.00 0.00 N ATOM 101 CA GLN A 8 2.968 11.617 -2.387 1.00 0.00 C ATOM 102 C GLN A 8 3.550 11.326 -0.981 1.00 0.00 C ATOM 103 O GLN A 8 3.637 10.165 -0.570 1.00 0.00 O ATOM 104 CB GLN A 8 4.045 12.218 -3.260 1.00 0.00 C ATOM 105 CG GLN A 8 5.246 11.352 -3.400 1.00 0.00 C ATOM 106 CD GLN A 8 6.366 12.036 -4.156 1.00 0.00 C ATOM 107 OE1 GLN A 8 6.124 12.849 -5.047 1.00 0.00 O ATOM 108 NE2 GLN A 8 7.586 11.742 -3.787 1.00 0.00 N ATOM 0 H GLN A 8 1.985 13.363 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 8 2.614 10.661 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.632 12.416 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.346 13.179 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.601 11.066 -2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.970 10.433 -3.918 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.744 11.062 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.379 12.193 -4.243 1.00 0.00 H new ATOM 117 N GLU A 9 3.881 12.375 -0.241 1.00 0.00 N ATOM 118 CA GLU A 9 4.480 12.242 1.103 1.00 0.00 C ATOM 119 C GLU A 9 3.436 11.703 2.066 1.00 0.00 C ATOM 120 O GLU A 9 3.724 11.036 3.044 1.00 0.00 O ATOM 121 CB GLU A 9 4.968 13.610 1.603 1.00 0.00 C ATOM 122 CG GLU A 9 3.833 14.594 1.871 1.00 0.00 C ATOM 123 CD GLU A 9 4.291 15.918 2.340 1.00 0.00 C ATOM 124 OE1 GLU A 9 4.861 15.999 3.422 1.00 0.00 O ATOM 125 OE2 GLU A 9 4.052 16.918 1.644 1.00 0.00 O ATOM 0 H GLU A 9 3.748 13.340 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 9 5.327 11.558 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.543 13.471 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.645 14.039 0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.253 14.723 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.162 14.167 2.616 1.00 0.00 H new ATOM 132 N GLU A 10 2.228 12.005 1.737 1.00 0.00 N ATOM 133 CA GLU A 10 1.095 11.709 2.516 1.00 0.00 C ATOM 134 C GLU A 10 0.802 10.227 2.429 1.00 0.00 C ATOM 135 O GLU A 10 0.609 9.573 3.430 1.00 0.00 O ATOM 136 CB GLU A 10 -0.007 12.567 1.966 1.00 0.00 C ATOM 137 CG GLU A 10 -1.290 12.584 2.716 1.00 0.00 C ATOM 138 CD GLU A 10 -2.098 13.769 2.289 1.00 0.00 C ATOM 139 OE1 GLU A 10 -2.210 14.016 1.063 1.00 0.00 O ATOM 140 OE2 GLU A 10 -2.554 14.508 3.158 1.00 0.00 O ATOM 0 H GLU A 10 2.001 12.491 0.869 1.00 0.00 H new ATOM 0 HA GLU A 10 1.228 11.923 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.361 13.591 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.215 12.239 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.845 11.665 2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.097 12.628 3.788 1.00 0.00 H new ATOM 147 N LEU A 11 0.838 9.710 1.222 1.00 0.00 N ATOM 148 CA LEU A 11 0.664 8.291 0.947 1.00 0.00 C ATOM 149 C LEU A 11 1.839 7.493 1.487 1.00 0.00 C ATOM 150 O LEU A 11 1.708 6.316 1.815 1.00 0.00 O ATOM 151 CB LEU A 11 0.518 8.088 -0.537 1.00 0.00 C ATOM 152 CG LEU A 11 -0.755 8.643 -1.146 1.00 0.00 C ATOM 153 CD1 LEU A 11 -0.617 8.742 -2.642 1.00 0.00 C ATOM 154 CD2 LEU A 11 -1.924 7.749 -0.788 1.00 0.00 C ATOM 0 H LEU A 11 0.992 10.270 0.384 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.237 7.935 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.371 8.549 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.566 7.020 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.934 9.642 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.538 9.142 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.213 9.404 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.426 7.752 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.837 8.151 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.746 6.745 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.031 7.706 0.296 1.00 0.00 H new ATOM 166 N LYS A 12 2.986 8.140 1.556 1.00 0.00 N ATOM 167 CA LYS A 12 4.154 7.578 2.206 1.00 0.00 C ATOM 168 C LYS A 12 3.835 7.313 3.668 1.00 0.00 C ATOM 169 O LYS A 12 4.125 6.256 4.190 1.00 0.00 O ATOM 170 CB LYS A 12 5.328 8.553 2.098 1.00 0.00 C ATOM 171 CG LYS A 12 6.258 8.349 0.916 1.00 0.00 C ATOM 172 CD LYS A 12 7.191 7.171 1.158 1.00 0.00 C ATOM 173 CE LYS A 12 8.293 7.108 0.112 1.00 0.00 C ATOM 174 NZ LYS A 12 9.345 6.144 0.480 1.00 0.00 N ATOM 0 H LYS A 12 3.135 9.070 1.163 1.00 0.00 H new ATOM 0 HA LYS A 12 4.427 6.642 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.929 9.566 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.916 8.485 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.673 8.175 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.843 9.253 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.634 7.255 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.619 6.243 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.865 6.828 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.734 8.097 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.077 6.131 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.772 6.425 1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.929 5.195 0.572 1.00 0.00 H new ATOM 188 N GLU A 13 3.161 8.254 4.285 1.00 0.00 N ATOM 189 CA GLU A 13 2.818 8.159 5.686 1.00 0.00 C ATOM 190 C GLU A 13 1.483 7.441 5.915 1.00 0.00 C ATOM 191 O GLU A 13 0.985 7.378 7.045 1.00 0.00 O ATOM 192 CB GLU A 13 2.814 9.549 6.310 1.00 0.00 C ATOM 193 CG GLU A 13 4.178 10.219 6.276 1.00 0.00 C ATOM 194 CD GLU A 13 5.211 9.428 7.039 1.00 0.00 C ATOM 195 OE1 GLU A 13 5.314 9.614 8.265 1.00 0.00 O ATOM 196 OE2 GLU A 13 5.930 8.598 6.437 1.00 0.00 O ATOM 0 H GLU A 13 2.834 9.107 3.831 1.00 0.00 H new ATOM 0 HA GLU A 13 3.578 7.550 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.094 10.176 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.477 9.476 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.500 10.334 5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.102 11.220 6.700 1.00 0.00 H new ATOM 203 N MET A 14 0.911 6.907 4.861 1.00 0.00 N ATOM 204 CA MET A 14 -0.310 6.144 4.967 1.00 0.00 C ATOM 205 C MET A 14 0.035 4.687 4.922 1.00 0.00 C ATOM 206 O MET A 14 0.959 4.284 4.188 1.00 0.00 O ATOM 207 CB MET A 14 -1.320 6.479 3.852 1.00 0.00 C ATOM 208 CG MET A 14 -1.879 7.895 3.897 1.00 0.00 C ATOM 209 SD MET A 14 -2.740 8.282 5.441 1.00 0.00 S ATOM 210 CE MET A 14 -4.101 7.111 5.385 1.00 0.00 C ATOM 0 H MET A 14 1.276 6.988 3.912 1.00 0.00 H new ATOM 0 HA MET A 14 -0.790 6.403 5.911 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.838 6.325 2.887 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.150 5.774 3.910 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.063 8.604 3.758 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.567 8.032 3.062 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.841 7.377 6.139 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.563 7.137 4.398 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.726 6.107 5.584 1.00 0.00 H new ATOM 220 N ALA A 15 -0.678 3.898 5.697 1.00 0.00 N ATOM 221 CA ALA A 15 -0.437 2.480 5.759 1.00 0.00 C ATOM 222 C ALA A 15 -0.739 1.864 4.414 1.00 0.00 C ATOM 223 O ALA A 15 -1.830 2.055 3.858 1.00 0.00 O ATOM 224 CB ALA A 15 -1.312 1.853 6.835 1.00 0.00 C ATOM 0 H ALA A 15 -1.436 4.223 6.297 1.00 0.00 H new ATOM 0 HA ALA A 15 0.608 2.297 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.125 0.780 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.077 2.300 7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.361 2.029 6.599 1.00 0.00 H new ATOM 230 N LEU A 16 0.187 1.091 3.922 1.00 0.00 N ATOM 231 CA LEU A 16 0.075 0.501 2.615 1.00 0.00 C ATOM 232 C LEU A 16 -0.975 -0.575 2.562 1.00 0.00 C ATOM 233 O LEU A 16 -1.608 -0.773 1.528 1.00 0.00 O ATOM 234 CB LEU A 16 1.428 0.062 1.991 1.00 0.00 C ATOM 235 CG LEU A 16 2.401 -0.779 2.841 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.381 -1.480 1.926 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.200 0.112 3.791 1.00 0.00 C ATOM 0 H LEU A 16 1.046 0.850 4.417 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.269 1.308 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.206 -0.505 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.956 0.964 1.681 1.00 0.00 H new ATOM 0 HG LEU A 16 1.819 -1.497 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.072 -2.077 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.838 -2.131 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.940 -0.739 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.880 -0.503 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.774 0.837 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.517 0.639 4.457 1.00 0.00 H new ATOM 249 N VAL A 17 -1.203 -1.240 3.680 1.00 0.00 N ATOM 250 CA VAL A 17 -2.261 -2.219 3.749 1.00 0.00 C ATOM 251 C VAL A 17 -3.621 -1.508 3.642 1.00 0.00 C ATOM 252 O VAL A 17 -4.562 -2.034 3.050 1.00 0.00 O ATOM 253 CB VAL A 17 -2.182 -3.100 5.035 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.464 -2.316 6.309 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.069 -4.327 4.923 1.00 0.00 C ATOM 0 H VAL A 17 -0.673 -1.119 4.543 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.142 -2.904 2.909 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.150 -3.441 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.394 -2.982 7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.734 -1.513 6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.466 -1.890 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.990 -4.918 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.104 -4.016 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.751 -4.929 4.072 1.00 0.00 H new ATOM 265 N GLU A 18 -3.695 -0.271 4.149 1.00 0.00 N ATOM 266 CA GLU A 18 -4.915 0.506 4.048 1.00 0.00 C ATOM 267 C GLU A 18 -5.087 1.003 2.646 1.00 0.00 C ATOM 268 O GLU A 18 -6.187 0.983 2.122 1.00 0.00 O ATOM 269 CB GLU A 18 -4.981 1.658 5.058 1.00 0.00 C ATOM 270 CG GLU A 18 -5.023 1.194 6.502 1.00 0.00 C ATOM 271 CD GLU A 18 -6.090 0.153 6.725 1.00 0.00 C ATOM 272 OE1 GLU A 18 -7.259 0.495 6.957 1.00 0.00 O ATOM 273 OE2 GLU A 18 -5.771 -1.037 6.637 1.00 0.00 O ATOM 0 H GLU A 18 -2.927 0.201 4.627 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.743 -0.157 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.115 2.304 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.865 2.261 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.052 0.785 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.207 2.049 7.153 1.00 0.00 H new ATOM 280 N ILE A 19 -3.976 1.404 2.026 1.00 0.00 N ATOM 281 CA ILE A 19 -3.974 1.819 0.623 1.00 0.00 C ATOM 282 C ILE A 19 -4.510 0.666 -0.224 1.00 0.00 C ATOM 283 O ILE A 19 -5.362 0.853 -1.081 1.00 0.00 O ATOM 284 CB ILE A 19 -2.537 2.198 0.125 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.936 3.322 0.991 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.564 2.611 -1.353 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.528 3.730 0.604 1.00 0.00 C ATOM 0 H ILE A 19 -3.062 1.450 2.476 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.602 2.705 0.526 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.903 1.317 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.584 4.196 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.934 2.999 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.556 2.870 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.937 1.783 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.218 3.474 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.185 4.526 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.137 2.871 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.523 4.087 -0.426 1.00 0.00 H new ATOM 299 N ALA A 20 -4.028 -0.529 0.070 1.00 0.00 N ATOM 300 CA ALA A 20 -4.462 -1.724 -0.607 1.00 0.00 C ATOM 301 C ALA A 20 -5.945 -2.030 -0.315 1.00 0.00 C ATOM 302 O ALA A 20 -6.691 -2.346 -1.224 1.00 0.00 O ATOM 303 CB ALA A 20 -3.561 -2.888 -0.251 1.00 0.00 C ATOM 0 H ALA A 20 -3.322 -0.691 0.788 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.383 -1.559 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.902 -3.784 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.538 -2.661 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.594 -3.058 0.825 1.00 0.00 H new ATOM 309 N HIS A 21 -6.368 -1.919 0.960 1.00 0.00 N ATOM 310 CA HIS A 21 -7.799 -2.104 1.324 1.00 0.00 C ATOM 311 C HIS A 21 -8.677 -1.151 0.507 1.00 0.00 C ATOM 312 O HIS A 21 -9.674 -1.561 -0.094 1.00 0.00 O ATOM 313 CB HIS A 21 -8.071 -1.887 2.842 1.00 0.00 C ATOM 314 CG HIS A 21 -7.566 -2.974 3.769 1.00 0.00 C ATOM 315 ND1 HIS A 21 -6.760 -2.737 4.864 1.00 0.00 N ATOM 316 CD2 HIS A 21 -7.796 -4.313 3.782 1.00 0.00 C ATOM 317 CE1 HIS A 21 -6.515 -3.858 5.485 1.00 0.00 C ATOM 318 NE2 HIS A 21 -7.121 -4.828 4.865 1.00 0.00 N ATOM 0 H HIS A 21 -5.756 -1.706 1.748 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.049 -3.140 1.094 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.617 -0.942 3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.146 -1.784 2.987 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -6.408 -1.822 5.146 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.395 -4.868 3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -5.907 -3.964 6.371 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -7.099 -5.811 5.137 1.00 0.00 H new ATOM 327 N GLU A 22 -8.259 0.102 0.463 1.00 0.00 N ATOM 328 CA GLU A 22 -8.914 1.155 -0.298 1.00 0.00 C ATOM 329 C GLU A 22 -8.932 0.861 -1.789 1.00 0.00 C ATOM 330 O GLU A 22 -9.915 1.115 -2.465 1.00 0.00 O ATOM 331 CB GLU A 22 -8.194 2.454 -0.046 1.00 0.00 C ATOM 332 CG GLU A 22 -8.587 3.132 1.250 1.00 0.00 C ATOM 333 CD GLU A 22 -9.971 3.698 1.145 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.166 4.639 0.325 1.00 0.00 O ATOM 335 OE2 GLU A 22 -10.896 3.191 1.809 1.00 0.00 O ATOM 0 H GLU A 22 -7.434 0.425 0.968 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.951 1.217 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.120 2.267 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.391 3.134 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.541 2.416 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.879 3.927 1.481 1.00 0.00 H new ATOM 342 N LEU A 23 -7.844 0.321 -2.280 1.00 0.00 N ATOM 343 CA LEU A 23 -7.683 -0.040 -3.679 1.00 0.00 C ATOM 344 C LEU A 23 -8.759 -1.045 -4.105 1.00 0.00 C ATOM 345 O LEU A 23 -9.368 -0.918 -5.180 1.00 0.00 O ATOM 346 CB LEU A 23 -6.274 -0.619 -3.861 1.00 0.00 C ATOM 347 CG LEU A 23 -5.807 -1.018 -5.257 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.930 0.152 -6.220 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.362 -1.430 -5.148 1.00 0.00 C ATOM 0 H LEU A 23 -7.024 0.113 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.801 0.839 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.566 0.115 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.197 -1.501 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.422 -1.833 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.592 -0.154 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.971 0.470 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.316 0.980 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.992 -1.723 -6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.772 -0.593 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.275 -2.272 -4.461 1.00 0.00 H new ATOM 361 N PHE A 24 -9.006 -2.023 -3.260 1.00 0.00 N ATOM 362 CA PHE A 24 -10.021 -3.025 -3.539 1.00 0.00 C ATOM 363 C PHE A 24 -11.411 -2.512 -3.300 1.00 0.00 C ATOM 364 O PHE A 24 -12.367 -2.975 -3.923 1.00 0.00 O ATOM 365 CB PHE A 24 -9.742 -4.316 -2.806 1.00 0.00 C ATOM 366 CG PHE A 24 -8.514 -4.938 -3.333 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.548 -5.587 -4.527 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.321 -4.837 -2.668 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.421 -6.122 -5.050 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.178 -5.383 -3.192 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.234 -6.027 -4.389 1.00 0.00 C ATOM 0 H PHE A 24 -8.519 -2.149 -2.373 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.966 -3.250 -4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.632 -4.122 -1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.584 -4.999 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.482 -5.676 -5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.280 -4.321 -1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.463 -6.630 -6.002 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.242 -5.303 -2.660 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.341 -6.461 -4.813 1.00 0.00 H new ATOM 381 N GLU A 25 -11.523 -1.552 -2.410 1.00 0.00 N ATOM 382 CA GLU A 25 -12.774 -0.883 -2.160 1.00 0.00 C ATOM 383 C GLU A 25 -13.154 -0.118 -3.435 1.00 0.00 C ATOM 384 O GLU A 25 -14.240 -0.287 -3.963 1.00 0.00 O ATOM 385 CB GLU A 25 -12.616 0.055 -0.924 1.00 0.00 C ATOM 386 CG GLU A 25 -13.889 0.740 -0.390 1.00 0.00 C ATOM 387 CD GLU A 25 -14.439 1.828 -1.285 1.00 0.00 C ATOM 388 OE1 GLU A 25 -13.955 2.982 -1.196 1.00 0.00 O ATOM 389 OE2 GLU A 25 -15.378 1.560 -2.078 1.00 0.00 O ATOM 0 H GLU A 25 -10.747 -1.215 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.573 -1.586 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.180 -0.527 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.897 0.833 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.660 -0.017 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.673 1.167 0.589 1.00 0.00 H new ATOM 396 N GLU A 26 -12.213 0.658 -3.945 1.00 0.00 N ATOM 397 CA GLU A 26 -12.403 1.477 -5.132 1.00 0.00 C ATOM 398 C GLU A 26 -12.718 0.573 -6.343 1.00 0.00 C ATOM 399 O GLU A 26 -13.729 0.765 -7.014 1.00 0.00 O ATOM 400 CB GLU A 26 -11.126 2.325 -5.358 1.00 0.00 C ATOM 401 CG GLU A 26 -11.294 3.614 -6.176 1.00 0.00 C ATOM 402 CD GLU A 26 -11.558 3.415 -7.645 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.583 3.362 -8.429 1.00 0.00 O ATOM 404 OE2 GLU A 26 -12.722 3.377 -8.058 1.00 0.00 O ATOM 0 H GLU A 26 -11.280 0.739 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.248 2.154 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.716 2.591 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.385 1.699 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.116 4.190 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.392 4.216 -6.064 1.00 0.00 H new ATOM 411 N HIS A 27 -11.879 -0.449 -6.565 1.00 0.00 N ATOM 412 CA HIS A 27 -12.070 -1.390 -7.695 1.00 0.00 C ATOM 413 C HIS A 27 -13.342 -2.221 -7.596 1.00 0.00 C ATOM 414 O HIS A 27 -13.891 -2.618 -8.632 1.00 0.00 O ATOM 415 CB HIS A 27 -10.886 -2.350 -7.887 1.00 0.00 C ATOM 416 CG HIS A 27 -9.727 -1.820 -8.673 1.00 0.00 C ATOM 417 ND1 HIS A 27 -9.679 -1.865 -10.046 1.00 0.00 N ATOM 418 CD2 HIS A 27 -8.536 -1.316 -8.284 1.00 0.00 C ATOM 419 CE1 HIS A 27 -8.523 -1.430 -10.463 1.00 0.00 C ATOM 420 NE2 HIS A 27 -7.808 -1.090 -9.424 1.00 0.00 N ATOM 0 H HIS A 27 -11.064 -0.650 -5.985 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.149 -0.730 -8.559 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.525 -2.650 -6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.251 -3.251 -8.380 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.218 -1.127 -7.269 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.209 -1.362 -11.494 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.860 -0.716 -9.456 1.00 0.00 H new ATOM 429 N LYS A 28 -13.772 -2.535 -6.348 1.00 0.00 N ATOM 430 CA LYS A 28 -14.973 -3.374 -6.065 1.00 0.00 C ATOM 431 C LYS A 28 -14.757 -4.806 -6.598 1.00 0.00 C ATOM 432 O LYS A 28 -15.693 -5.601 -6.657 1.00 0.00 O ATOM 433 CB LYS A 28 -16.238 -2.785 -6.748 1.00 0.00 C ATOM 434 CG LYS A 28 -16.586 -1.343 -6.395 1.00 0.00 C ATOM 435 CD LYS A 28 -17.155 -1.198 -4.999 1.00 0.00 C ATOM 436 CE LYS A 28 -17.538 0.250 -4.694 1.00 0.00 C ATOM 437 NZ LYS A 28 -16.378 1.163 -4.740 1.00 0.00 N ATOM 0 H LYS A 28 -13.297 -2.214 -5.504 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.118 -3.389 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.106 -2.851 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.090 -3.415 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.691 -0.727 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.308 -0.962 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.032 -1.836 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.422 -1.542 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.287 0.583 -5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.997 0.301 -3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.385 1.776 -3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.499 0.607 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.431 1.749 -5.597 1.00 0.00 H new ATOM 451 N LYS A 29 -13.517 -5.124 -6.927 1.00 0.00 N ATOM 452 CA LYS A 29 -13.156 -6.324 -7.637 1.00 0.00 C ATOM 453 C LYS A 29 -11.706 -6.657 -7.243 1.00 0.00 C ATOM 454 O LYS A 29 -10.952 -5.730 -6.909 1.00 0.00 O ATOM 455 CB LYS A 29 -13.232 -6.004 -9.158 1.00 0.00 C ATOM 456 CG LYS A 29 -13.026 -7.174 -10.110 1.00 0.00 C ATOM 457 CD LYS A 29 -14.215 -8.127 -10.128 1.00 0.00 C ATOM 458 CE LYS A 29 -13.902 -9.361 -10.965 1.00 0.00 C ATOM 459 NZ LYS A 29 -13.588 -9.021 -12.368 1.00 0.00 N ATOM 0 H LYS A 29 -12.717 -4.534 -6.698 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.812 -7.163 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.207 -5.563 -9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.484 -5.244 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.854 -6.793 -11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.130 -7.722 -9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.464 -8.425 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.089 -7.618 -10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.058 -9.892 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.754 -10.040 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.532 -9.893 -12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.335 -8.407 -12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.676 -8.523 -12.409 1.00 0.00 H new ATOM 473 N PRO A 30 -11.301 -7.944 -7.235 1.00 0.00 N ATOM 474 CA PRO A 30 -9.918 -8.343 -6.932 1.00 0.00 C ATOM 475 C PRO A 30 -8.924 -7.907 -8.008 1.00 0.00 C ATOM 476 O PRO A 30 -9.288 -7.654 -9.175 1.00 0.00 O ATOM 477 CB PRO A 30 -9.984 -9.862 -6.905 1.00 0.00 C ATOM 478 CG PRO A 30 -11.159 -10.191 -7.745 1.00 0.00 C ATOM 479 CD PRO A 30 -12.155 -9.125 -7.446 1.00 0.00 C ATOM 0 HA PRO A 30 -9.572 -7.884 -6.006 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.072 -10.307 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.104 -10.237 -5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.898 -10.202 -8.803 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.553 -11.178 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.854 -8.979 -8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.749 -9.360 -6.563 1.00 0.00 H new ATOM 487 N VAL A 31 -7.684 -7.836 -7.614 1.00 0.00 N ATOM 488 CA VAL A 31 -6.599 -7.388 -8.449 1.00 0.00 C ATOM 489 C VAL A 31 -5.392 -8.287 -8.158 1.00 0.00 C ATOM 490 O VAL A 31 -5.159 -8.642 -6.993 1.00 0.00 O ATOM 491 CB VAL A 31 -6.233 -5.875 -8.144 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.032 -5.410 -8.927 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.408 -4.942 -8.422 1.00 0.00 C ATOM 0 H VAL A 31 -7.388 -8.096 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.888 -7.449 -9.498 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.991 -5.835 -7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.821 -4.369 -8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.170 -6.025 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.236 -5.500 -9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.117 -3.915 -8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.695 -5.020 -9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.253 -5.223 -7.793 1.00 0.00 H new ATOM 503 N PRO A 32 -4.681 -8.757 -9.202 1.00 0.00 N ATOM 504 CA PRO A 32 -3.449 -9.543 -9.041 1.00 0.00 C ATOM 505 C PRO A 32 -2.412 -8.789 -8.205 1.00 0.00 C ATOM 506 O PRO A 32 -2.341 -7.552 -8.258 1.00 0.00 O ATOM 507 CB PRO A 32 -2.947 -9.701 -10.475 1.00 0.00 C ATOM 508 CG PRO A 32 -4.169 -9.610 -11.305 1.00 0.00 C ATOM 509 CD PRO A 32 -5.041 -8.604 -10.626 1.00 0.00 C ATOM 0 HA PRO A 32 -3.621 -10.489 -8.527 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.232 -8.920 -10.734 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.441 -10.656 -10.616 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.930 -9.299 -12.322 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.668 -10.577 -11.376 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.846 -7.593 -10.985 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.098 -8.805 -10.799 1.00 0.00 H new ATOM 517 N PHE A 33 -1.613 -9.531 -7.460 1.00 0.00 N ATOM 518 CA PHE A 33 -0.613 -8.975 -6.551 1.00 0.00 C ATOM 519 C PHE A 33 0.334 -7.984 -7.251 1.00 0.00 C ATOM 520 O PHE A 33 0.575 -6.892 -6.752 1.00 0.00 O ATOM 521 CB PHE A 33 0.178 -10.110 -5.878 1.00 0.00 C ATOM 522 CG PHE A 33 1.138 -9.650 -4.815 1.00 0.00 C ATOM 523 CD1 PHE A 33 0.696 -9.420 -3.524 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.474 -9.446 -5.105 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.568 -8.997 -2.547 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.346 -9.021 -4.131 1.00 0.00 C ATOM 527 CZ PHE A 33 2.893 -8.795 -2.849 1.00 0.00 C ATOM 0 H PHE A 33 -1.636 -10.551 -7.465 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.145 -8.408 -5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.526 -10.815 -5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.734 -10.653 -6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.345 -9.574 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.836 -9.622 -6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.211 -8.824 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.387 -8.864 -4.371 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.578 -8.460 -2.084 1.00 0.00 H new ATOM 537 N GLN A 34 0.812 -8.343 -8.425 1.00 0.00 N ATOM 538 CA GLN A 34 1.751 -7.497 -9.156 1.00 0.00 C ATOM 539 C GLN A 34 1.009 -6.237 -9.648 1.00 0.00 C ATOM 540 O GLN A 34 1.563 -5.137 -9.675 1.00 0.00 O ATOM 541 CB GLN A 34 2.323 -8.275 -10.358 1.00 0.00 C ATOM 542 CG GLN A 34 3.799 -8.001 -10.728 1.00 0.00 C ATOM 543 CD GLN A 34 4.151 -6.542 -10.970 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.016 -6.034 -12.083 1.00 0.00 O ATOM 545 NE2 GLN A 34 4.668 -5.877 -9.962 1.00 0.00 N ATOM 0 H GLN A 34 0.570 -9.213 -8.898 1.00 0.00 H new ATOM 0 HA GLN A 34 2.574 -7.205 -8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.216 -9.341 -10.155 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.708 -8.053 -11.230 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.433 -8.382 -9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.042 -8.569 -11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.767 -6.326 -9.052 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.971 -4.911 -10.090 1.00 0.00 H new ATOM 554 N GLU A 35 -0.275 -6.388 -9.932 1.00 0.00 N ATOM 555 CA GLU A 35 -1.060 -5.316 -10.493 1.00 0.00 C ATOM 556 C GLU A 35 -1.385 -4.304 -9.439 1.00 0.00 C ATOM 557 O GLU A 35 -1.244 -3.113 -9.661 1.00 0.00 O ATOM 558 CB GLU A 35 -2.338 -5.853 -11.119 1.00 0.00 C ATOM 559 CG GLU A 35 -2.113 -6.710 -12.338 1.00 0.00 C ATOM 560 CD GLU A 35 -1.484 -5.938 -13.442 1.00 0.00 C ATOM 561 OE1 GLU A 35 -2.205 -5.213 -14.153 1.00 0.00 O ATOM 562 OE2 GLU A 35 -0.259 -6.025 -13.614 1.00 0.00 O ATOM 0 H GLU A 35 -0.793 -7.253 -9.779 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.472 -4.834 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.878 -6.436 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.977 -5.013 -11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.477 -7.556 -12.076 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.065 -7.120 -12.676 1.00 0.00 H new ATOM 569 N LEU A 36 -1.767 -4.790 -8.267 1.00 0.00 N ATOM 570 CA LEU A 36 -2.136 -3.928 -7.167 1.00 0.00 C ATOM 571 C LEU A 36 -0.957 -3.072 -6.723 1.00 0.00 C ATOM 572 O LEU A 36 -1.128 -1.934 -6.357 1.00 0.00 O ATOM 573 CB LEU A 36 -2.803 -4.731 -6.002 1.00 0.00 C ATOM 574 CG LEU A 36 -1.979 -5.833 -5.309 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.984 -5.262 -4.328 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.875 -6.843 -4.622 1.00 0.00 C ATOM 0 H LEU A 36 -1.828 -5.787 -8.058 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.900 -3.234 -7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.110 -4.016 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.711 -5.191 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.419 -6.344 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.425 -6.074 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.294 -4.601 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.513 -4.699 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.262 -7.607 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.481 -6.339 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.528 -7.311 -5.359 1.00 0.00 H new ATOM 588 N LEU A 37 0.241 -3.624 -6.823 1.00 0.00 N ATOM 589 CA LEU A 37 1.451 -2.916 -6.475 1.00 0.00 C ATOM 590 C LEU A 37 1.700 -1.798 -7.467 1.00 0.00 C ATOM 591 O LEU A 37 2.094 -0.691 -7.092 1.00 0.00 O ATOM 592 CB LEU A 37 2.611 -3.886 -6.453 1.00 0.00 C ATOM 593 CG LEU A 37 2.581 -4.934 -5.364 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.666 -5.945 -5.607 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.732 -4.291 -3.993 1.00 0.00 C ATOM 0 H LEU A 37 0.397 -4.578 -7.149 1.00 0.00 H new ATOM 0 HA LEU A 37 1.346 -2.473 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.652 -4.394 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.534 -3.315 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 37 1.617 -5.442 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.643 -6.700 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.508 -6.423 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.635 -5.447 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.708 -5.063 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.682 -3.759 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.914 -3.589 -3.828 1.00 0.00 H new ATOM 607 N ASN A 38 1.437 -2.079 -8.735 1.00 0.00 N ATOM 608 CA ASN A 38 1.540 -1.063 -9.770 1.00 0.00 C ATOM 609 C ASN A 38 0.517 0.023 -9.529 1.00 0.00 C ATOM 610 O ASN A 38 0.837 1.215 -9.625 1.00 0.00 O ATOM 611 CB ASN A 38 1.394 -1.635 -11.187 1.00 0.00 C ATOM 612 CG ASN A 38 2.652 -2.289 -11.719 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.496 -1.627 -12.309 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.791 -3.566 -11.530 1.00 0.00 N ATOM 0 H ASN A 38 1.152 -2.999 -9.070 1.00 0.00 H new ATOM 0 HA ASN A 38 2.544 -0.643 -9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.586 -2.367 -11.191 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.100 -0.832 -11.863 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.622 -4.045 -11.877 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.070 -4.090 -11.034 1.00 0.00 H new ATOM 621 N GLU A 39 -0.698 -0.393 -9.173 1.00 0.00 N ATOM 622 CA GLU A 39 -1.782 0.517 -8.820 1.00 0.00 C ATOM 623 C GLU A 39 -1.343 1.427 -7.688 1.00 0.00 C ATOM 624 O GLU A 39 -1.430 2.634 -7.808 1.00 0.00 O ATOM 625 CB GLU A 39 -3.015 -0.259 -8.376 1.00 0.00 C ATOM 626 CG GLU A 39 -3.630 -1.152 -9.429 1.00 0.00 C ATOM 627 CD GLU A 39 -4.264 -0.393 -10.556 1.00 0.00 C ATOM 628 OE1 GLU A 39 -3.548 0.126 -11.425 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.502 -0.364 -10.625 1.00 0.00 O ATOM 0 H GLU A 39 -0.957 -1.378 -9.122 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.029 1.108 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.748 -0.871 -7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.770 0.452 -8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.860 -1.810 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.381 -1.789 -8.962 1.00 0.00 H new ATOM 636 N ILE A 40 -0.830 0.825 -6.610 1.00 0.00 N ATOM 637 CA ILE A 40 -0.350 1.556 -5.436 1.00 0.00 C ATOM 638 C ILE A 40 0.733 2.563 -5.829 1.00 0.00 C ATOM 639 O ILE A 40 0.642 3.730 -5.485 1.00 0.00 O ATOM 640 CB ILE A 40 0.194 0.594 -4.322 1.00 0.00 C ATOM 641 CG1 ILE A 40 -0.927 -0.318 -3.797 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.814 1.382 -3.165 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.459 -1.377 -2.812 1.00 0.00 C ATOM 0 H ILE A 40 -0.736 -0.187 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.206 2.091 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 40 0.971 -0.025 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.687 0.299 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.405 -0.811 -4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.182 0.689 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.642 1.985 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.060 2.034 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.311 -1.977 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.278 -2.021 -3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.008 -0.894 -1.945 1.00 0.00 H new ATOM 655 N ALA A 41 1.719 2.122 -6.590 1.00 0.00 N ATOM 656 CA ALA A 41 2.798 3.006 -7.010 1.00 0.00 C ATOM 657 C ALA A 41 2.276 4.179 -7.841 1.00 0.00 C ATOM 658 O ALA A 41 2.747 5.293 -7.686 1.00 0.00 O ATOM 659 CB ALA A 41 3.876 2.248 -7.759 1.00 0.00 C ATOM 0 H ALA A 41 1.797 1.163 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 41 3.246 3.417 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.665 2.938 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.294 1.476 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.445 1.784 -8.646 1.00 0.00 H new ATOM 665 N SER A 42 1.315 3.916 -8.719 1.00 0.00 N ATOM 666 CA SER A 42 0.697 4.963 -9.536 1.00 0.00 C ATOM 667 C SER A 42 -0.253 5.858 -8.726 1.00 0.00 C ATOM 668 O SER A 42 -0.551 6.992 -9.117 1.00 0.00 O ATOM 669 CB SER A 42 0.032 4.384 -10.797 1.00 0.00 C ATOM 670 OG SER A 42 -0.921 3.362 -10.482 1.00 0.00 O ATOM 0 H SER A 42 0.942 2.981 -8.887 1.00 0.00 H new ATOM 0 HA SER A 42 1.502 5.614 -9.876 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.464 5.185 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.798 3.974 -11.455 1.00 0.00 H new ATOM 0 HG SER A 42 -0.976 3.255 -9.509 1.00 0.00 H new ATOM 676 N LEU A 43 -0.787 5.305 -7.654 1.00 0.00 N ATOM 677 CA LEU A 43 -1.645 6.026 -6.739 1.00 0.00 C ATOM 678 C LEU A 43 -0.748 7.051 -6.053 1.00 0.00 C ATOM 679 O LEU A 43 -1.078 8.234 -5.943 1.00 0.00 O ATOM 680 CB LEU A 43 -2.244 5.010 -5.722 1.00 0.00 C ATOM 681 CG LEU A 43 -3.515 5.391 -4.930 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.305 6.594 -4.036 1.00 0.00 C ATOM 683 CD2 LEU A 43 -4.686 5.607 -5.873 1.00 0.00 C ATOM 0 H LEU A 43 -0.634 4.331 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.479 6.527 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.461 4.091 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.465 4.775 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.746 4.553 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.229 6.817 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.515 6.379 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.019 7.453 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.572 5.874 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.449 6.412 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.878 4.690 -6.430 1.00 0.00 H new ATOM 695 N LEU A 44 0.410 6.583 -5.654 1.00 0.00 N ATOM 696 CA LEU A 44 1.432 7.421 -5.098 1.00 0.00 C ATOM 697 C LEU A 44 2.139 8.181 -6.213 1.00 0.00 C ATOM 698 O LEU A 44 1.945 7.918 -7.395 1.00 0.00 O ATOM 699 CB LEU A 44 2.475 6.595 -4.297 1.00 0.00 C ATOM 700 CG LEU A 44 2.117 6.116 -2.870 1.00 0.00 C ATOM 701 CD1 LEU A 44 0.924 5.183 -2.838 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.317 5.451 -2.217 1.00 0.00 C ATOM 0 H LEU A 44 0.667 5.597 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 44 0.953 8.121 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.720 5.713 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.383 7.193 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 44 1.838 7.006 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.724 4.883 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.051 5.695 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.137 4.299 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.048 5.120 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.625 4.592 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.139 6.164 -2.156 1.00 0.00 H new ATOM 714 N GLY A 45 2.931 9.117 -5.839 1.00 0.00 N ATOM 715 CA GLY A 45 3.732 9.832 -6.795 1.00 0.00 C ATOM 716 C GLY A 45 5.165 9.422 -6.641 1.00 0.00 C ATOM 717 O GLY A 45 6.064 10.244 -6.645 1.00 0.00 O ATOM 0 H GLY A 45 3.051 9.417 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.387 9.620 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.630 10.906 -6.642 1.00 0.00 H new ATOM 721 N VAL A 46 5.382 8.142 -6.512 1.00 0.00 N ATOM 722 CA VAL A 46 6.695 7.633 -6.211 1.00 0.00 C ATOM 723 C VAL A 46 7.184 6.735 -7.313 1.00 0.00 C ATOM 724 O VAL A 46 6.398 6.285 -8.154 1.00 0.00 O ATOM 725 CB VAL A 46 6.715 6.837 -4.868 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.287 7.708 -3.695 1.00 0.00 C ATOM 727 CG2 VAL A 46 5.852 5.574 -4.957 1.00 0.00 C ATOM 0 H VAL A 46 4.662 7.426 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 46 7.353 8.497 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 46 7.745 6.527 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.313 7.121 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.967 8.555 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.274 8.073 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.887 5.042 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.822 5.852 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.233 4.928 -5.748 1.00 0.00 H new ATOM 737 N LYS A 47 8.472 6.491 -7.319 1.00 0.00 N ATOM 738 CA LYS A 47 9.055 5.563 -8.245 1.00 0.00 C ATOM 739 C LYS A 47 8.721 4.147 -7.827 1.00 0.00 C ATOM 740 O LYS A 47 8.353 3.895 -6.670 1.00 0.00 O ATOM 741 CB LYS A 47 10.579 5.741 -8.354 1.00 0.00 C ATOM 742 CG LYS A 47 11.008 7.023 -9.034 1.00 0.00 C ATOM 743 CD LYS A 47 12.511 7.048 -9.371 1.00 0.00 C ATOM 744 CE LYS A 47 13.457 7.312 -8.180 1.00 0.00 C ATOM 745 NZ LYS A 47 13.704 6.119 -7.335 1.00 0.00 N ATOM 0 H LYS A 47 9.139 6.930 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 47 8.634 5.763 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.009 5.713 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.994 4.896 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.433 7.152 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.771 7.868 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.780 6.092 -9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.683 7.815 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.410 7.680 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.034 8.103 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.666 6.165 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.013 6.095 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.607 5.259 -7.912 1.00 0.00 H new ATOM 759 N LYS A 48 8.863 3.229 -8.738 1.00 0.00 N ATOM 760 CA LYS A 48 8.541 1.858 -8.465 1.00 0.00 C ATOM 761 C LYS A 48 9.513 1.266 -7.450 1.00 0.00 C ATOM 762 O LYS A 48 9.117 0.479 -6.628 1.00 0.00 O ATOM 763 CB LYS A 48 8.544 1.026 -9.740 1.00 0.00 C ATOM 764 CG LYS A 48 8.078 -0.409 -9.519 1.00 0.00 C ATOM 765 CD LYS A 48 6.578 -0.496 -9.167 1.00 0.00 C ATOM 766 CE LYS A 48 5.696 -0.063 -10.335 1.00 0.00 C ATOM 767 NZ LYS A 48 5.997 -0.829 -11.566 1.00 0.00 N ATOM 0 H LYS A 48 9.202 3.407 -9.683 1.00 0.00 H new ATOM 0 HA LYS A 48 7.536 1.834 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.899 1.502 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.551 1.015 -10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.271 -0.993 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.663 -0.858 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.330 -1.519 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.370 0.134 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.648 -0.200 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.840 1.001 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.120 -0.982 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.672 -0.296 -12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.411 -1.748 -11.310 1.00 0.00 H new ATOM 781 N GLU A 49 10.772 1.685 -7.522 1.00 0.00 N ATOM 782 CA GLU A 49 11.843 1.207 -6.629 1.00 0.00 C ATOM 783 C GLU A 49 11.460 1.411 -5.161 1.00 0.00 C ATOM 784 O GLU A 49 11.647 0.519 -4.319 1.00 0.00 O ATOM 785 CB GLU A 49 13.168 1.956 -6.887 1.00 0.00 C ATOM 786 CG GLU A 49 13.619 2.051 -8.343 1.00 0.00 C ATOM 787 CD GLU A 49 12.960 3.151 -9.086 1.00 0.00 C ATOM 788 OE1 GLU A 49 11.851 2.954 -9.637 1.00 0.00 O ATOM 789 OE2 GLU A 49 13.521 4.230 -9.136 1.00 0.00 O ATOM 0 H GLU A 49 11.089 2.372 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 49 11.976 0.146 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.072 2.967 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.956 1.464 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.699 2.196 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.410 1.106 -8.844 1.00 0.00 H new ATOM 796 N GLU A 50 10.893 2.577 -4.888 1.00 0.00 N ATOM 797 CA GLU A 50 10.474 2.989 -3.548 1.00 0.00 C ATOM 798 C GLU A 50 9.455 1.977 -3.034 1.00 0.00 C ATOM 799 O GLU A 50 9.563 1.398 -1.925 1.00 0.00 O ATOM 800 CB GLU A 50 9.745 4.347 -3.626 1.00 0.00 C ATOM 801 CG GLU A 50 10.280 5.333 -4.654 1.00 0.00 C ATOM 802 CD GLU A 50 11.692 5.760 -4.444 1.00 0.00 C ATOM 803 OE1 GLU A 50 11.927 6.699 -3.668 1.00 0.00 O ATOM 804 OE2 GLU A 50 12.572 5.224 -5.121 1.00 0.00 O ATOM 0 H GLU A 50 10.706 3.280 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 50 11.350 3.056 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.693 4.160 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.789 4.817 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.196 4.884 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.644 6.219 -4.651 1.00 0.00 H new ATOM 811 N LEU A 51 8.471 1.752 -3.869 1.00 0.00 N ATOM 812 CA LEU A 51 7.380 0.890 -3.558 1.00 0.00 C ATOM 813 C LEU A 51 7.831 -0.575 -3.665 1.00 0.00 C ATOM 814 O LEU A 51 7.185 -1.431 -3.170 1.00 0.00 O ATOM 815 CB LEU A 51 6.164 1.260 -4.470 1.00 0.00 C ATOM 816 CG LEU A 51 4.758 0.639 -4.197 1.00 0.00 C ATOM 817 CD1 LEU A 51 4.638 -0.796 -4.691 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.406 0.727 -2.720 1.00 0.00 C ATOM 0 H LEU A 51 8.413 2.174 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 51 7.047 1.022 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.051 2.344 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.438 1.002 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 51 4.042 1.229 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.639 -1.173 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.811 -0.826 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.378 -1.417 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.422 0.288 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.149 0.184 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.394 1.772 -2.410 1.00 0.00 H new ATOM 830 N GLY A 52 8.987 -0.808 -4.279 1.00 0.00 N ATOM 831 CA GLY A 52 9.561 -2.142 -4.409 1.00 0.00 C ATOM 832 C GLY A 52 10.007 -2.681 -3.070 1.00 0.00 C ATOM 833 O GLY A 52 9.669 -3.822 -2.673 1.00 0.00 O ATOM 0 H GLY A 52 9.554 -0.073 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.825 -2.816 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.410 -2.110 -5.092 1.00 0.00 H new ATOM 837 N ASP A 53 10.735 -1.865 -2.338 1.00 0.00 N ATOM 838 CA ASP A 53 11.120 -2.239 -0.979 1.00 0.00 C ATOM 839 C ASP A 53 9.874 -2.325 -0.146 1.00 0.00 C ATOM 840 O ASP A 53 9.737 -3.189 0.730 1.00 0.00 O ATOM 841 CB ASP A 53 12.130 -1.268 -0.382 1.00 0.00 C ATOM 842 CG ASP A 53 13.476 -1.375 -1.044 1.00 0.00 C ATOM 843 OD1 ASP A 53 13.621 -0.932 -2.205 1.00 0.00 O ATOM 844 OD2 ASP A 53 14.423 -1.906 -0.433 1.00 0.00 O ATOM 0 H ASP A 53 11.071 -0.953 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 53 11.619 -3.208 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.756 -0.249 -0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.234 -1.465 0.685 1.00 0.00 H new ATOM 849 N ARG A 54 8.919 -1.470 -0.476 1.00 0.00 N ATOM 850 CA ARG A 54 7.615 -1.562 0.117 1.00 0.00 C ATOM 851 C ARG A 54 6.828 -2.801 -0.313 1.00 0.00 C ATOM 852 O ARG A 54 5.854 -3.095 0.287 1.00 0.00 O ATOM 853 CB ARG A 54 6.786 -0.292 0.023 1.00 0.00 C ATOM 854 CG ARG A 54 6.873 0.544 1.273 1.00 0.00 C ATOM 855 CD ARG A 54 5.957 1.752 1.227 1.00 0.00 C ATOM 856 NE ARG A 54 5.912 2.407 2.546 1.00 0.00 N ATOM 857 CZ ARG A 54 4.995 3.273 3.010 1.00 0.00 C ATOM 858 NH1 ARG A 54 3.926 3.632 2.278 1.00 0.00 N ATOM 859 NH2 ARG A 54 5.151 3.748 4.225 1.00 0.00 N ATOM 0 H ARG A 54 9.031 -0.712 -1.149 1.00 0.00 H new ATOM 0 HA ARG A 54 7.828 -1.688 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.124 0.297 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.745 -0.554 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.616 -0.070 2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.901 0.877 1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.310 2.457 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.954 1.446 0.931 1.00 0.00 H new ATOM 0 HE ARG A 54 6.671 2.174 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.794 3.245 1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.247 4.292 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.951 3.458 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.472 4.407 4.606 1.00 0.00 H new ATOM 873 N ILE A 55 7.241 -3.487 -1.375 1.00 0.00 N ATOM 874 CA ILE A 55 6.611 -4.744 -1.794 1.00 0.00 C ATOM 875 C ILE A 55 7.001 -5.799 -0.795 1.00 0.00 C ATOM 876 O ILE A 55 6.169 -6.579 -0.336 1.00 0.00 O ATOM 877 CB ILE A 55 7.060 -5.208 -3.223 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.620 -4.204 -4.289 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.524 -6.603 -3.548 1.00 0.00 C ATOM 880 CD1 ILE A 55 7.099 -4.530 -5.692 1.00 0.00 C ATOM 0 H ILE A 55 8.017 -3.193 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 55 5.533 -4.589 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 55 8.149 -5.256 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.531 -4.150 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.987 -3.215 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.853 -6.896 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.902 -7.318 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.435 -6.591 -3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.742 -3.768 -6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.189 -4.554 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.710 -5.503 -5.992 1.00 0.00 H new ATOM 892 N ALA A 56 8.273 -5.793 -0.429 1.00 0.00 N ATOM 893 CA ALA A 56 8.767 -6.712 0.597 1.00 0.00 C ATOM 894 C ALA A 56 8.081 -6.409 1.938 1.00 0.00 C ATOM 895 O ALA A 56 7.641 -7.330 2.690 1.00 0.00 O ATOM 896 CB ALA A 56 10.270 -6.595 0.724 1.00 0.00 C ATOM 0 H ALA A 56 8.980 -5.170 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 56 8.530 -7.736 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.625 -7.284 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.736 -6.842 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.533 -5.575 1.003 1.00 0.00 H new ATOM 902 N GLN A 57 7.953 -5.113 2.216 1.00 0.00 N ATOM 903 CA GLN A 57 7.259 -4.621 3.400 1.00 0.00 C ATOM 904 C GLN A 57 5.824 -5.129 3.321 1.00 0.00 C ATOM 905 O GLN A 57 5.318 -5.707 4.253 1.00 0.00 O ATOM 906 CB GLN A 57 7.273 -3.075 3.387 1.00 0.00 C ATOM 907 CG GLN A 57 7.073 -2.349 4.734 1.00 0.00 C ATOM 908 CD GLN A 57 5.804 -2.699 5.495 1.00 0.00 C ATOM 909 OE1 GLN A 57 4.769 -2.103 5.290 1.00 0.00 O ATOM 910 NE2 GLN A 57 5.899 -3.612 6.421 1.00 0.00 N ATOM 0 H GLN A 57 8.330 -4.374 1.623 1.00 0.00 H new ATOM 0 HA GLN A 57 7.738 -4.967 4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.226 -2.751 2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.494 -2.737 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.929 -2.567 5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.079 -1.275 4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.784 -4.097 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.088 -3.841 6.996 1.00 0.00 H new ATOM 919 N PHE A 58 5.240 -4.972 2.156 1.00 0.00 N ATOM 920 CA PHE A 58 3.874 -5.337 1.871 1.00 0.00 C ATOM 921 C PHE A 58 3.628 -6.817 2.071 1.00 0.00 C ATOM 922 O PHE A 58 2.653 -7.156 2.632 1.00 0.00 O ATOM 923 CB PHE A 58 3.485 -4.890 0.465 1.00 0.00 C ATOM 924 CG PHE A 58 2.043 -5.036 0.119 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.068 -4.348 0.826 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.665 -5.825 -0.934 1.00 0.00 C ATOM 927 CE1 PHE A 58 -0.260 -4.460 0.479 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.348 -5.943 -1.286 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.621 -5.260 -0.582 1.00 0.00 C ATOM 0 H PHE A 58 5.722 -4.571 1.351 1.00 0.00 H new ATOM 0 HA PHE A 58 3.235 -4.816 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.765 -3.843 0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.072 -5.461 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.353 -3.719 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.416 -6.361 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.014 -3.923 1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.067 -6.573 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.660 -5.352 -0.862 1.00 0.00 H new ATOM 939 N TYR A 59 4.526 -7.698 1.618 1.00 0.00 N ATOM 940 CA TYR A 59 4.356 -9.146 1.900 1.00 0.00 C ATOM 941 C TYR A 59 4.212 -9.381 3.398 1.00 0.00 C ATOM 942 O TYR A 59 3.309 -10.103 3.857 1.00 0.00 O ATOM 943 CB TYR A 59 5.532 -9.988 1.406 1.00 0.00 C ATOM 944 CG TYR A 59 5.558 -10.329 -0.064 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.763 -11.354 -0.564 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.408 -9.681 -0.937 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.814 -11.714 -1.896 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.474 -10.038 -2.264 1.00 0.00 C ATOM 949 CZ TYR A 59 5.677 -11.055 -2.739 1.00 0.00 C ATOM 950 OH TYR A 59 5.756 -11.423 -4.068 1.00 0.00 O ATOM 0 H TYR A 59 5.353 -7.457 1.073 1.00 0.00 H new ATOM 0 HA TYR A 59 3.458 -9.453 1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.454 -9.458 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.543 -10.920 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.093 -11.878 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.033 -8.879 -0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.182 -12.505 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.149 -9.522 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 59 5.116 -10.897 -4.592 1.00 0.00 H new ATOM 960 N THR A 60 5.073 -8.731 4.135 1.00 0.00 N ATOM 961 CA THR A 60 5.111 -8.823 5.571 1.00 0.00 C ATOM 962 C THR A 60 3.813 -8.245 6.208 1.00 0.00 C ATOM 963 O THR A 60 3.150 -8.895 7.012 1.00 0.00 O ATOM 964 CB THR A 60 6.339 -8.031 6.066 1.00 0.00 C ATOM 965 OG1 THR A 60 7.525 -8.542 5.410 1.00 0.00 O ATOM 966 CG2 THR A 60 6.498 -8.130 7.578 1.00 0.00 C ATOM 0 H THR A 60 5.782 -8.110 3.746 1.00 0.00 H new ATOM 0 HA THR A 60 5.182 -9.870 5.866 1.00 0.00 H new ATOM 0 HB THR A 60 6.195 -6.979 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.607 -8.137 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.373 -7.560 7.890 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.610 -7.727 8.064 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.625 -9.174 7.863 1.00 0.00 H new ATOM 974 N ASP A 61 3.461 -7.066 5.773 1.00 0.00 N ATOM 975 CA ASP A 61 2.353 -6.274 6.314 1.00 0.00 C ATOM 976 C ASP A 61 0.978 -6.845 5.905 1.00 0.00 C ATOM 977 O ASP A 61 0.013 -6.806 6.663 1.00 0.00 O ATOM 978 CB ASP A 61 2.529 -4.848 5.788 1.00 0.00 C ATOM 979 CG ASP A 61 1.589 -3.842 6.370 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.806 -3.407 7.516 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.687 -3.396 5.677 1.00 0.00 O ATOM 0 H ASP A 61 3.945 -6.600 5.005 1.00 0.00 H new ATOM 0 HA ASP A 61 2.375 -6.298 7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.551 -4.526 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.403 -4.858 4.705 1.00 0.00 H new ATOM 986 N LEU A 62 0.922 -7.396 4.726 1.00 0.00 N ATOM 987 CA LEU A 62 -0.290 -7.953 4.145 1.00 0.00 C ATOM 988 C LEU A 62 -0.667 -9.294 4.774 1.00 0.00 C ATOM 989 O LEU A 62 -1.832 -9.548 5.057 1.00 0.00 O ATOM 990 CB LEU A 62 -0.076 -8.126 2.640 1.00 0.00 C ATOM 991 CG LEU A 62 -1.221 -8.661 1.811 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.392 -7.712 1.859 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.762 -8.858 0.385 1.00 0.00 C ATOM 0 H LEU A 62 1.736 -7.478 4.116 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.112 -7.265 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.206 -7.156 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.776 -8.791 2.499 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.541 -9.620 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.209 -8.111 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.724 -7.596 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.091 -6.742 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.588 -9.244 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.431 -7.904 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.064 -9.568 0.364 1.00 0.00 H new ATOM 1005 N ASN A 63 0.322 -10.143 5.023 1.00 0.00 N ATOM 1006 CA ASN A 63 0.027 -11.489 5.545 1.00 0.00 C ATOM 1007 C ASN A 63 -0.284 -11.497 7.027 1.00 0.00 C ATOM 1008 O ASN A 63 -0.579 -12.544 7.599 1.00 0.00 O ATOM 1009 CB ASN A 63 1.103 -12.535 5.197 1.00 0.00 C ATOM 1010 CG ASN A 63 1.090 -12.944 3.730 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.356 -13.855 3.331 1.00 0.00 O ATOM 1012 ND2 ASN A 63 1.910 -12.313 2.926 1.00 0.00 N ATOM 0 H ASN A 63 1.311 -9.941 4.880 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.881 -11.789 5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.085 -12.133 5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.954 -13.420 5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.955 -12.569 1.940 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.503 -11.565 3.286 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.212 -10.345 7.653 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.585 -10.228 9.046 1.00 0.00 C ATOM 1021 C ILE A 64 -1.930 -9.510 9.164 1.00 0.00 C ATOM 1022 O ILE A 64 -2.446 -9.305 10.270 1.00 0.00 O ATOM 1023 CB ILE A 64 0.493 -9.502 9.912 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.766 -8.085 9.385 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.779 -10.324 9.973 1.00 0.00 C ATOM 1026 CD1 ILE A 64 1.763 -7.282 10.199 1.00 0.00 C ATOM 0 H ILE A 64 0.101 -9.476 7.221 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.666 -11.241 9.439 1.00 0.00 H new ATOM 0 HB ILE A 64 0.104 -9.407 10.926 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.131 -8.158 8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.176 -7.538 9.350 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.517 -9.801 10.581 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.568 -11.297 10.416 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.171 -10.462 8.965 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.890 -6.297 9.750 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.395 -7.171 11.219 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.722 -7.800 10.214 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.519 -9.182 8.022 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.782 -8.455 7.979 1.00 0.00 C ATOM 1040 C ASP A 65 -4.937 -9.409 8.034 1.00 0.00 C ATOM 1041 O ASP A 65 -4.993 -10.388 7.279 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.903 -7.580 6.726 1.00 0.00 C ATOM 1043 CG ASP A 65 -5.254 -6.883 6.640 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -5.539 -6.012 7.462 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -6.070 -7.223 5.756 1.00 0.00 O ATOM 0 H ASP A 65 -2.138 -9.410 7.104 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.802 -7.800 8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.110 -6.832 6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.757 -8.196 5.839 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.867 -9.121 8.888 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.978 -9.987 9.070 1.00 0.00 C ATOM 1052 C GLY A 66 -8.217 -9.499 8.370 1.00 0.00 C ATOM 1053 O GLY A 66 -9.319 -9.753 8.830 1.00 0.00 O ATOM 0 H GLY A 66 -5.875 -8.285 9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.724 -10.980 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.184 -10.088 10.136 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.048 -8.798 7.273 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.170 -8.275 6.499 1.00 0.00 C ATOM 1059 C ARG A 67 -9.044 -8.699 5.026 1.00 0.00 C ATOM 1060 O ARG A 67 -10.032 -8.974 4.359 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.229 -6.746 6.672 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.585 -6.337 8.104 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.894 -5.054 8.557 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.238 -3.856 7.771 1.00 0.00 N ATOM 1065 CZ ARG A 67 -8.574 -2.687 7.866 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.557 -2.570 8.708 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -8.918 -1.651 7.115 1.00 0.00 N ATOM 0 H ARG A 67 -7.133 -8.570 6.885 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.109 -8.690 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.265 -6.315 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.967 -6.333 5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.664 -6.205 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.315 -7.146 8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.147 -4.871 9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.815 -5.204 8.512 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.021 -3.915 7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.277 -3.364 9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.054 -1.686 8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.693 -1.733 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.408 -0.771 7.195 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.820 -8.765 4.550 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.505 -9.212 3.201 1.00 0.00 C ATOM 1083 C PHE A 68 -7.746 -10.694 2.979 1.00 0.00 C ATOM 1084 O PHE A 68 -8.014 -11.463 3.924 1.00 0.00 O ATOM 1085 CB PHE A 68 -6.054 -8.910 2.871 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.888 -7.754 1.971 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -6.019 -7.925 0.616 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.598 -6.505 2.461 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.873 -6.879 -0.236 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.448 -5.443 1.606 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.588 -5.635 0.253 1.00 0.00 C ATOM 0 H PHE A 68 -6.998 -8.506 5.095 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.181 -8.664 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.510 -8.722 3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.603 -9.789 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.241 -8.906 0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.487 -6.358 3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.982 -7.029 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.221 -4.461 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.473 -4.802 -0.425 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.644 -11.081 1.727 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.750 -12.444 1.320 1.00 0.00 C ATOM 1103 C LEU A 69 -7.081 -12.608 -0.034 1.00 0.00 C ATOM 1104 O LEU A 69 -7.207 -11.730 -0.897 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.211 -12.855 1.166 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.431 -14.314 0.821 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -9.034 -15.225 1.975 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.844 -14.533 0.422 1.00 0.00 C ATOM 0 H LEU A 69 -7.482 -10.435 0.955 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.274 -13.065 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.735 -12.634 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.666 -12.241 0.389 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.789 -14.569 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.205 -16.264 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.979 -15.080 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.634 -14.983 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.994 -15.584 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.502 -14.256 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.075 -13.920 -0.449 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.351 -13.681 -0.201 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.816 -14.047 -1.492 1.00 0.00 C ATOM 1122 C ALA A 70 -6.776 -15.046 -2.103 1.00 0.00 C ATOM 1123 O ALA A 70 -6.925 -16.151 -1.580 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.433 -14.668 -1.346 1.00 0.00 C ATOM 0 H ALA A 70 -6.110 -14.326 0.551 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.712 -13.166 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.049 -14.936 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.760 -13.951 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.499 -15.562 -0.726 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.451 -14.651 -3.166 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.469 -15.484 -3.787 1.00 0.00 C ATOM 1132 C LEU A 71 -7.912 -16.788 -4.396 1.00 0.00 C ATOM 1133 O LEU A 71 -7.902 -17.827 -3.728 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.296 -14.720 -4.834 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.921 -13.376 -4.418 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.811 -12.869 -5.512 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.701 -13.461 -3.121 1.00 0.00 C ATOM 0 H LEU A 71 -7.312 -13.750 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.129 -15.768 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.656 -14.538 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.102 -15.375 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.097 -12.683 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.251 -11.918 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.226 -12.728 -6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.605 -13.592 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.117 -12.482 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.511 -14.182 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.037 -13.780 -2.317 1.00 0.00 H new ATOM 1149 N SER A 72 -7.437 -16.761 -5.644 1.00 0.00 N ATOM 1150 CA SER A 72 -7.050 -18.015 -6.253 1.00 0.00 C ATOM 1151 C SER A 72 -5.534 -18.309 -6.287 1.00 0.00 C ATOM 1152 O SER A 72 -5.090 -19.271 -5.657 1.00 0.00 O ATOM 1153 CB SER A 72 -7.684 -18.118 -7.634 1.00 0.00 C ATOM 1154 OG SER A 72 -7.471 -16.919 -8.369 1.00 0.00 O ATOM 0 H SER A 72 -7.319 -15.927 -6.219 1.00 0.00 H new ATOM 0 HA SER A 72 -7.433 -18.799 -5.599 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.258 -18.964 -8.174 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.753 -18.307 -7.537 1.00 0.00 H new ATOM 0 HG SER A 72 -7.883 -17.001 -9.255 1.00 0.00 H new ATOM 1160 N ASP A 73 -4.726 -17.511 -6.993 1.00 0.00 N ATOM 1161 CA ASP A 73 -3.270 -17.832 -7.012 1.00 0.00 C ATOM 1162 C ASP A 73 -2.419 -16.686 -6.548 1.00 0.00 C ATOM 1163 O ASP A 73 -1.269 -16.880 -6.156 1.00 0.00 O ATOM 1164 CB ASP A 73 -2.784 -18.245 -8.419 1.00 0.00 C ATOM 1165 CG ASP A 73 -3.523 -19.421 -9.014 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -3.157 -20.585 -8.732 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -4.490 -19.201 -9.783 1.00 0.00 O ATOM 0 H ASP A 73 -5.013 -16.691 -7.528 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.159 -18.667 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.884 -17.392 -9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.722 -18.487 -8.367 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.004 -15.507 -6.539 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.295 -14.245 -6.237 1.00 0.00 C ATOM 1174 C GLN A 74 -3.202 -13.041 -6.392 1.00 0.00 C ATOM 1175 O GLN A 74 -2.766 -11.905 -6.269 1.00 0.00 O ATOM 1176 CB GLN A 74 -0.992 -14.052 -7.081 1.00 0.00 C ATOM 1177 CG GLN A 74 -1.064 -14.367 -8.595 1.00 0.00 C ATOM 1178 CD GLN A 74 -2.127 -13.620 -9.357 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -1.904 -12.519 -9.809 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -3.256 -14.246 -9.573 1.00 0.00 N ATOM 0 H GLN A 74 -3.995 -15.378 -6.741 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.992 -14.325 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.669 -13.017 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.214 -14.678 -6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.095 -14.145 -9.042 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.234 -15.436 -8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.409 -15.173 -9.176 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.983 -13.807 -10.138 1.00 0.00 H new ATOM 1189 N THR A 75 -4.435 -13.287 -6.713 1.00 0.00 N ATOM 1190 CA THR A 75 -5.404 -12.271 -6.811 1.00 0.00 C ATOM 1191 C THR A 75 -5.902 -11.937 -5.428 1.00 0.00 C ATOM 1192 O THR A 75 -6.571 -12.740 -4.800 1.00 0.00 O ATOM 1193 CB THR A 75 -6.537 -12.778 -7.696 1.00 0.00 C ATOM 1194 OG1 THR A 75 -6.591 -14.233 -7.575 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.302 -12.383 -9.146 1.00 0.00 C ATOM 0 H THR A 75 -4.790 -14.222 -6.916 1.00 0.00 H new ATOM 0 HA THR A 75 -4.986 -11.366 -7.253 1.00 0.00 H new ATOM 0 HB THR A 75 -7.481 -12.335 -7.378 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.156 -14.600 -8.287 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.121 -12.754 -9.762 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.253 -11.297 -9.224 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.363 -12.815 -9.493 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.546 -10.799 -4.942 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.938 -10.421 -3.623 1.00 0.00 C ATOM 1205 C TRP A 76 -7.175 -9.594 -3.700 1.00 0.00 C ATOM 1206 O TRP A 76 -7.543 -9.109 -4.779 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.820 -9.663 -2.892 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.639 -10.515 -2.512 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.629 -10.933 -3.323 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.341 -11.033 -1.206 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.732 -11.694 -2.613 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -2.141 -11.763 -1.308 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.972 -10.949 0.037 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.565 -12.407 -0.210 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.401 -11.585 1.121 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.208 -12.302 0.992 1.00 0.00 C ATOM 0 H TRP A 76 -4.982 -10.109 -5.438 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.137 -11.324 -3.047 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.475 -8.847 -3.527 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.233 -9.212 -1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.545 -10.700 -4.374 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.896 -12.136 -2.996 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.892 -10.395 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.646 -12.967 -0.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.884 -11.528 2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.785 -12.784 1.861 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.845 -9.494 -2.607 1.00 0.00 N ATOM 1228 CA GLY A 77 -9.001 -8.701 -2.536 1.00 0.00 C ATOM 1229 C GLY A 77 -9.532 -8.653 -1.147 1.00 0.00 C ATOM 1230 O GLY A 77 -8.792 -8.859 -0.180 1.00 0.00 O ATOM 0 H GLY A 77 -7.598 -9.966 -1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.775 -7.691 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.762 -9.101 -3.206 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.795 -8.453 -1.045 1.00 0.00 N ATOM 1235 CA LEU A 78 -11.447 -8.304 0.220 1.00 0.00 C ATOM 1236 C LEU A 78 -12.227 -9.548 0.518 1.00 0.00 C ATOM 1237 O LEU A 78 -12.798 -10.163 -0.376 1.00 0.00 O ATOM 1238 CB LEU A 78 -12.364 -7.074 0.222 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.679 -5.718 -0.001 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -12.704 -4.595 0.001 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -10.607 -5.466 1.058 1.00 0.00 C ATOM 0 H LEU A 78 -11.422 -8.386 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.696 -8.154 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.119 -7.208 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.889 -7.040 1.176 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.193 -5.742 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.200 -3.642 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.427 -4.761 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.221 -4.576 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.137 -4.499 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.065 -5.468 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.853 -6.251 1.006 1.00 0.00 H new ATOM 1253 N ARG A 79 -12.215 -9.938 1.748 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.887 -11.121 2.178 1.00 0.00 C ATOM 1255 C ARG A 79 -14.400 -10.892 2.266 1.00 0.00 C ATOM 1256 O ARG A 79 -15.190 -11.830 2.165 1.00 0.00 O ATOM 1257 CB ARG A 79 -12.302 -11.548 3.501 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.768 -12.884 3.978 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.969 -13.323 5.164 1.00 0.00 C ATOM 1260 NE ARG A 79 -12.169 -12.458 6.330 1.00 0.00 N ATOM 1261 CZ ARG A 79 -11.206 -11.792 6.959 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -9.995 -11.659 6.396 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -11.461 -11.202 8.098 1.00 0.00 N ATOM 0 H ARG A 79 -11.732 -9.438 2.495 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.740 -11.920 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.215 -11.565 3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.551 -10.800 4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.825 -12.835 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.673 -13.617 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.243 -14.346 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.911 -13.333 4.901 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.120 -12.360 6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.810 -12.070 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.260 -11.147 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.397 -11.254 8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.724 -10.690 8.583 1.00 0.00 H new ATOM 1277 N SER A 80 -14.775 -9.629 2.376 1.00 0.00 N ATOM 1278 CA SER A 80 -16.162 -9.168 2.529 1.00 0.00 C ATOM 1279 C SER A 80 -17.034 -9.380 1.253 1.00 0.00 C ATOM 1280 O SER A 80 -18.057 -8.720 1.085 1.00 0.00 O ATOM 1281 CB SER A 80 -16.103 -7.677 2.829 1.00 0.00 C ATOM 1282 OG SER A 80 -15.104 -7.397 3.806 1.00 0.00 O ATOM 0 H SER A 80 -14.104 -8.861 2.362 1.00 0.00 H new ATOM 0 HA SER A 80 -16.627 -9.750 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.888 -7.125 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.074 -7.335 3.187 1.00 0.00 H new ATOM 0 HG SER A 80 -15.081 -6.433 3.983 1.00 0.00 H new ATOM 1288 N TRP A 81 -16.636 -10.275 0.376 1.00 0.00 N ATOM 1289 CA TRP A 81 -17.368 -10.490 -0.853 1.00 0.00 C ATOM 1290 C TRP A 81 -17.982 -11.876 -0.924 1.00 0.00 C ATOM 1291 O TRP A 81 -19.029 -12.061 -1.533 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.462 -10.338 -2.060 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.810 -9.010 -2.234 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -16.309 -7.787 -1.919 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.545 -8.788 -2.831 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -15.417 -6.810 -2.289 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -14.331 -7.398 -2.860 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.573 -9.640 -3.345 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -13.181 -6.831 -3.394 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.426 -9.082 -3.873 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -12.242 -7.686 -3.901 1.00 0.00 C ATOM 0 H TRP A 81 -15.811 -10.865 0.490 1.00 0.00 H new ATOM 0 HA TRP A 81 -18.158 -9.739 -0.861 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.682 -11.097 -2.000 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -17.046 -10.552 -2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -17.264 -7.609 -1.448 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.548 -5.807 -2.157 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.712 -10.711 -3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -13.035 -5.761 -3.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.657 -9.727 -4.271 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.339 -7.281 -4.333 1.00 0.00 H new ATOM 1312 N TYR A 82 -17.341 -12.846 -0.317 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.760 -14.224 -0.489 1.00 0.00 C ATOM 1314 C TYR A 82 -17.982 -14.854 0.891 1.00 0.00 C ATOM 1315 O TYR A 82 -17.579 -14.269 1.883 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.679 -15.011 -1.278 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.153 -14.304 -2.527 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.902 -14.243 -3.682 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -14.901 -13.688 -2.531 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -16.431 -13.589 -4.801 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -14.419 -13.044 -3.635 1.00 0.00 C ATOM 1322 CZ TYR A 82 -15.192 -12.992 -4.776 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.742 -12.318 -5.893 1.00 0.00 O ATOM 0 H TYR A 82 -16.536 -12.714 0.295 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.691 -14.260 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.840 -15.214 -0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.094 -15.975 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.873 -14.715 -3.711 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.296 -13.721 -1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.034 -13.546 -5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.444 -12.581 -3.615 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.850 -11.951 -5.717 1.00 0.00 H new TER 1333 TYR A 82