USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -0.339 X(o=-0.4,f=-0.17) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= -0.0593 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.0811 (180deg=-0.223) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 65:sc= 1.12 USER MOD Single : A 16 HIS : no HE2:sc= -0.622 K(o=-0.62,f=-1.7) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= -3.98! (180deg=-4.21!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 34 GLN : amide:sc= -0.0658 X(o=-0.066,f=-0.075) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -78:sc= 1.17 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 51 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-0.79) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -54:sc= 1.09 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -89:sc= 0.854 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.7!) USER MOD Single : A 73 ASN : amide:sc= -0.0486 K(o=-0.049,f=-1.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -163:sc= -1.17 (180deg=-1.75) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= -2.16! (180deg=-5.48!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= -0.0209 (180deg=-0.241) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0537 (180deg=-0.308) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.570 -2.174 13.632 1.00 0.00 N ATOM 2 CA MET A 1 -8.341 -0.710 13.520 1.00 0.00 C ATOM 3 C MET A 1 -7.776 -0.350 12.150 1.00 0.00 C ATOM 4 O MET A 1 -7.504 -1.227 11.329 1.00 0.00 O ATOM 5 CB MET A 1 -7.385 -0.240 14.617 1.00 0.00 C ATOM 6 CG MET A 1 -7.939 -0.415 16.021 1.00 0.00 C ATOM 7 SD MET A 1 -6.767 0.083 17.298 1.00 0.00 S ATOM 8 CE MET A 1 -7.757 -0.143 18.773 1.00 0.00 C ATOM 0 H1 MET A 1 -9.555 -2.351 13.917 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.389 -2.625 12.712 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.927 -2.572 14.345 1.00 0.00 H new ATOM 0 HA MET A 1 -9.300 -0.206 13.640 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.449 -0.792 14.533 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.150 0.812 14.456 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.852 0.172 16.123 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.213 -1.459 16.172 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.169 0.125 19.651 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.640 0.494 18.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.066 -1.186 18.848 1.00 0.00 H new ATOM 20 N GLU A 2 -7.600 0.945 11.912 1.00 0.00 N ATOM 21 CA GLU A 2 -7.071 1.425 10.639 1.00 0.00 C ATOM 22 C GLU A 2 -5.618 1.001 10.454 1.00 0.00 C ATOM 23 O GLU A 2 -5.159 0.802 9.328 1.00 0.00 O ATOM 24 CB GLU A 2 -7.184 2.949 10.561 1.00 0.00 C ATOM 25 CG GLU A 2 -6.417 3.676 11.653 1.00 0.00 C ATOM 26 CD GLU A 2 -6.609 5.179 11.595 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.834 5.850 10.882 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.534 5.686 12.264 1.00 0.00 O ATOM 0 H GLU A 2 -7.816 1.682 12.583 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.662 0.980 9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.819 3.282 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.236 3.230 10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.742 3.309 12.627 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.356 3.445 11.563 1.00 0.00 H new ATOM 35 N SER A 3 -4.898 0.862 11.564 1.00 0.00 N ATOM 36 CA SER A 3 -3.496 0.464 11.521 1.00 0.00 C ATOM 37 C SER A 3 -3.344 -0.934 10.928 1.00 0.00 C ATOM 38 O SER A 3 -2.378 -1.216 10.220 1.00 0.00 O ATOM 39 CB SER A 3 -2.888 0.505 12.924 1.00 0.00 C ATOM 40 OG SER A 3 -2.970 1.807 13.477 1.00 0.00 O ATOM 0 H SER A 3 -5.263 1.019 12.503 1.00 0.00 H new ATOM 0 HA SER A 3 -2.964 1.169 10.882 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.409 -0.202 13.570 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.846 0.189 12.881 1.00 0.00 H new ATOM 0 HG SER A 3 -2.576 1.807 14.374 1.00 0.00 H new ATOM 46 N GLU A 4 -4.301 -1.805 11.226 1.00 0.00 N ATOM 47 CA GLU A 4 -4.275 -3.172 10.719 1.00 0.00 C ATOM 48 C GLU A 4 -4.671 -3.218 9.247 1.00 0.00 C ATOM 49 O GLU A 4 -4.211 -4.081 8.498 1.00 0.00 O ATOM 50 CB GLU A 4 -5.216 -4.060 11.539 1.00 0.00 C ATOM 51 CG GLU A 4 -5.205 -5.518 11.108 1.00 0.00 C ATOM 52 CD GLU A 4 -6.128 -6.379 11.948 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.326 -6.472 11.607 1.00 0.00 O ATOM 54 OE2 GLU A 4 -5.652 -6.959 12.947 1.00 0.00 O ATOM 0 H GLU A 4 -5.105 -1.589 11.816 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.256 -3.546 10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.936 -3.998 12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.232 -3.673 11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.502 -5.586 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.189 -5.906 11.177 1.00 0.00 H new ATOM 61 N TYR A 5 -5.523 -2.284 8.838 1.00 0.00 N ATOM 62 CA TYR A 5 -5.986 -2.225 7.457 1.00 0.00 C ATOM 63 C TYR A 5 -4.893 -1.714 6.523 1.00 0.00 C ATOM 64 O TYR A 5 -4.793 -2.153 5.378 1.00 0.00 O ATOM 65 CB TYR A 5 -7.221 -1.328 7.345 1.00 0.00 C ATOM 66 CG TYR A 5 -7.779 -1.240 5.941 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.395 -2.335 5.350 1.00 0.00 C ATOM 68 CD2 TYR A 5 -7.686 -0.063 5.208 1.00 0.00 C ATOM 69 CE1 TYR A 5 -8.903 -2.260 4.067 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.192 0.018 3.924 1.00 0.00 C ATOM 71 CZ TYR A 5 -8.800 -1.082 3.358 1.00 0.00 C ATOM 72 OH TYR A 5 -9.305 -1.004 2.080 1.00 0.00 O ATOM 0 H TYR A 5 -5.907 -1.558 9.443 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.247 -3.239 7.155 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.996 -1.705 8.012 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.965 -0.326 7.689 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.478 -3.260 5.902 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.211 0.801 5.648 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.379 -3.121 3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.111 0.940 3.367 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.151 -0.105 1.722 1.00 0.00 H new ATOM 82 N ARG A 6 -4.076 -0.789 7.013 1.00 0.00 N ATOM 83 CA ARG A 6 -2.999 -0.223 6.206 1.00 0.00 C ATOM 84 C ARG A 6 -1.783 -1.143 6.175 1.00 0.00 C ATOM 85 O ARG A 6 -1.191 -1.368 5.121 1.00 0.00 O ATOM 86 CB ARG A 6 -2.597 1.156 6.739 1.00 0.00 C ATOM 87 CG ARG A 6 -2.140 1.146 8.189 1.00 0.00 C ATOM 88 CD ARG A 6 -1.609 2.506 8.610 1.00 0.00 C ATOM 89 NE ARG A 6 -1.182 2.520 10.007 1.00 0.00 N ATOM 90 CZ ARG A 6 -0.003 2.980 10.414 1.00 0.00 C ATOM 91 NH1 ARG A 6 0.869 3.455 9.533 1.00 0.00 N ATOM 92 NH2 ARG A 6 0.306 2.967 11.704 1.00 0.00 N ATOM 0 H ARG A 6 -4.137 -0.416 7.960 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.372 -0.118 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.795 1.555 6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.444 1.834 6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.973 0.863 8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.364 0.393 8.323 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.769 2.780 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.383 3.259 8.460 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.825 2.156 10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.635 3.468 8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.773 3.807 9.849 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.361 2.604 12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.211 3.320 12.015 1.00 0.00 H new ATOM 106 N GLU A 7 -1.419 -1.675 7.334 1.00 0.00 N ATOM 107 CA GLU A 7 -0.264 -2.559 7.443 1.00 0.00 C ATOM 108 C GLU A 7 -0.451 -3.835 6.626 1.00 0.00 C ATOM 109 O GLU A 7 0.407 -4.199 5.822 1.00 0.00 O ATOM 110 CB GLU A 7 -0.019 -2.914 8.911 1.00 0.00 C ATOM 111 CG GLU A 7 1.204 -3.790 9.133 1.00 0.00 C ATOM 112 CD GLU A 7 1.441 -4.096 10.600 1.00 0.00 C ATOM 113 OE1 GLU A 7 2.156 -3.314 11.261 1.00 0.00 O ATOM 114 OE2 GLU A 7 0.910 -5.116 11.086 1.00 0.00 O ATOM 0 H GLU A 7 -1.907 -1.510 8.214 1.00 0.00 H new ATOM 0 HA GLU A 7 0.601 -2.030 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.096 -1.994 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.898 -3.426 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.082 -4.725 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.083 -3.293 8.722 1.00 0.00 H new ATOM 121 N MET A 8 -1.579 -4.505 6.833 1.00 0.00 N ATOM 122 CA MET A 8 -1.874 -5.752 6.134 1.00 0.00 C ATOM 123 C MET A 8 -2.042 -5.545 4.629 1.00 0.00 C ATOM 124 O MET A 8 -1.435 -6.255 3.829 1.00 0.00 O ATOM 125 CB MET A 8 -3.141 -6.387 6.713 1.00 0.00 C ATOM 126 CG MET A 8 -3.606 -7.621 5.958 1.00 0.00 C ATOM 127 SD MET A 8 -5.042 -8.402 6.720 1.00 0.00 S ATOM 128 CE MET A 8 -5.323 -9.763 5.591 1.00 0.00 C ATOM 0 H MET A 8 -2.307 -4.205 7.481 1.00 0.00 H new ATOM 0 HA MET A 8 -1.023 -6.417 6.282 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.959 -6.656 7.754 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.941 -5.647 6.710 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.849 -7.344 4.932 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.789 -8.341 5.909 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.182 -10.343 5.927 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.517 -9.373 4.592 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.441 -10.403 5.565 1.00 0.00 H new ATOM 138 N LEU A 9 -2.861 -4.569 4.250 1.00 0.00 N ATOM 139 CA LEU A 9 -3.124 -4.291 2.839 1.00 0.00 C ATOM 140 C LEU A 9 -1.839 -4.021 2.058 1.00 0.00 C ATOM 141 O LEU A 9 -1.664 -4.520 0.947 1.00 0.00 O ATOM 142 CB LEU A 9 -4.075 -3.098 2.705 1.00 0.00 C ATOM 143 CG LEU A 9 -4.485 -2.740 1.273 1.00 0.00 C ATOM 144 CD1 LEU A 9 -5.900 -2.183 1.249 1.00 0.00 C ATOM 145 CD2 LEU A 9 -3.510 -1.738 0.670 1.00 0.00 C ATOM 0 H LEU A 9 -3.355 -3.956 4.899 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.589 -5.180 2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.976 -3.308 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.603 -2.226 3.158 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.459 -3.649 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.176 -1.934 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.592 -2.930 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.948 -1.286 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.819 -1.497 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.503 -0.829 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.509 -2.169 0.653 1.00 0.00 H new ATOM 157 N LEU A 10 -0.944 -3.234 2.640 1.00 0.00 N ATOM 158 CA LEU A 10 0.312 -2.888 1.981 1.00 0.00 C ATOM 159 C LEU A 10 1.246 -4.087 1.859 1.00 0.00 C ATOM 160 O LEU A 10 1.604 -4.491 0.753 1.00 0.00 O ATOM 161 CB LEU A 10 1.019 -1.770 2.744 1.00 0.00 C ATOM 162 CG LEU A 10 0.297 -0.423 2.735 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.935 0.522 3.738 1.00 0.00 C ATOM 164 CD2 LEU A 10 0.317 0.184 1.340 1.00 0.00 C ATOM 0 H LEU A 10 -1.062 -2.823 3.566 1.00 0.00 H new ATOM 0 HA LEU A 10 0.063 -2.551 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.154 -2.086 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.014 -1.634 2.320 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.742 -0.583 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.411 1.478 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.871 0.090 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.982 0.677 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.202 1.143 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.349 0.334 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.182 -0.489 0.643 1.00 0.00 H new ATOM 176 N LEU A 11 1.636 -4.648 2.998 1.00 0.00 N ATOM 177 CA LEU A 11 2.553 -5.784 3.022 1.00 0.00 C ATOM 178 C LEU A 11 2.086 -6.918 2.109 1.00 0.00 C ATOM 179 O LEU A 11 2.894 -7.735 1.666 1.00 0.00 O ATOM 180 CB LEU A 11 2.739 -6.285 4.460 1.00 0.00 C ATOM 181 CG LEU A 11 1.560 -7.060 5.063 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.606 -8.527 4.661 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.563 -6.929 6.579 1.00 0.00 C ATOM 0 H LEU A 11 1.331 -4.334 3.920 1.00 0.00 H new ATOM 0 HA LEU A 11 3.514 -5.441 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.621 -6.925 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.947 -5.426 5.098 1.00 0.00 H new ATOM 0 HG LEU A 11 0.638 -6.630 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.759 -9.052 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.558 -8.608 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.535 -8.973 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.721 -7.484 6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.494 -7.332 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.475 -5.878 6.854 1.00 0.00 H new ATOM 195 N THR A 12 0.786 -6.970 1.833 1.00 0.00 N ATOM 196 CA THR A 12 0.230 -8.010 0.970 1.00 0.00 C ATOM 197 C THR A 12 0.932 -8.040 -0.385 1.00 0.00 C ATOM 198 O THR A 12 1.079 -9.100 -0.995 1.00 0.00 O ATOM 199 CB THR A 12 -1.284 -7.812 0.745 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.984 -7.912 1.990 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.833 -8.846 -0.228 1.00 0.00 C ATOM 0 H THR A 12 0.099 -6.307 2.193 1.00 0.00 H new ATOM 0 HA THR A 12 0.393 -8.958 1.482 1.00 0.00 H new ATOM 0 HB THR A 12 -1.433 -6.820 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.715 -7.175 2.577 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.902 -8.683 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.323 -8.751 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.668 -9.846 0.173 1.00 0.00 H new ATOM 209 N GLY A 13 1.368 -6.873 -0.850 1.00 0.00 N ATOM 210 CA GLY A 13 2.043 -6.792 -2.132 1.00 0.00 C ATOM 211 C GLY A 13 3.542 -6.586 -2.005 1.00 0.00 C ATOM 212 O GLY A 13 4.310 -7.106 -2.813 1.00 0.00 O ATOM 0 H GLY A 13 1.266 -5.983 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.855 -7.707 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.617 -5.971 -2.709 1.00 0.00 H new ATOM 216 N LEU A 14 3.961 -5.828 -0.993 1.00 0.00 N ATOM 217 CA LEU A 14 5.382 -5.559 -0.778 1.00 0.00 C ATOM 218 C LEU A 14 6.185 -6.854 -0.692 1.00 0.00 C ATOM 219 O LEU A 14 7.177 -7.028 -1.399 1.00 0.00 O ATOM 220 CB LEU A 14 5.598 -4.735 0.498 1.00 0.00 C ATOM 221 CG LEU A 14 5.468 -3.214 0.344 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.387 -2.699 -0.754 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.027 -2.822 0.067 1.00 0.00 C ATOM 0 H LEU A 14 3.340 -5.391 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 14 5.735 -4.986 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.880 -5.067 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.591 -4.958 0.887 1.00 0.00 H new ATOM 0 HG LEU A 14 5.772 -2.752 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.277 -1.618 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.421 -2.939 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.123 -3.171 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.958 -1.739 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.691 -3.298 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.396 -3.147 0.895 1.00 0.00 H new ATOM 235 N ASP A 15 5.753 -7.759 0.181 1.00 0.00 N ATOM 236 CA ASP A 15 6.440 -9.034 0.365 1.00 0.00 C ATOM 237 C ASP A 15 6.042 -10.045 -0.709 1.00 0.00 C ATOM 238 O ASP A 15 6.366 -11.228 -0.610 1.00 0.00 O ATOM 239 CB ASP A 15 6.138 -9.599 1.756 1.00 0.00 C ATOM 240 CG ASP A 15 7.018 -10.784 2.106 1.00 0.00 C ATOM 241 OD1 ASP A 15 8.179 -10.563 2.510 1.00 0.00 O ATOM 242 OD2 ASP A 15 6.546 -11.933 1.976 1.00 0.00 O ATOM 0 H ASP A 15 4.931 -7.634 0.772 1.00 0.00 H new ATOM 0 HA ASP A 15 7.511 -8.852 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.277 -8.815 2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.092 -9.901 1.802 1.00 0.00 H new ATOM 247 N HIS A 16 5.343 -9.576 -1.740 1.00 0.00 N ATOM 248 CA HIS A 16 4.902 -10.453 -2.820 1.00 0.00 C ATOM 249 C HIS A 16 5.287 -9.895 -4.189 1.00 0.00 C ATOM 250 O HIS A 16 4.593 -10.126 -5.180 1.00 0.00 O ATOM 251 CB HIS A 16 3.388 -10.660 -2.747 1.00 0.00 C ATOM 252 CG HIS A 16 2.960 -11.542 -1.613 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.771 -11.100 -0.323 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.681 -12.871 -1.597 1.00 0.00 C ATOM 255 CE1 HIS A 16 2.394 -12.148 0.421 1.00 0.00 C ATOM 256 NE2 HIS A 16 2.322 -13.247 -0.305 1.00 0.00 N ATOM 0 H HIS A 16 5.071 -8.599 -1.850 1.00 0.00 H new ATOM 0 HA HIS A 16 5.405 -11.412 -2.695 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.901 -9.690 -2.647 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.043 -11.094 -3.685 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.896 -10.143 0.008 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.730 -13.531 -2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.177 -12.100 1.478 1.00 0.00 H new ATOM 264 N ILE A 17 6.398 -9.166 -4.241 1.00 0.00 N ATOM 265 CA ILE A 17 6.875 -8.586 -5.493 1.00 0.00 C ATOM 266 C ILE A 17 8.393 -8.688 -5.599 1.00 0.00 C ATOM 267 O ILE A 17 9.092 -8.761 -4.588 1.00 0.00 O ATOM 268 CB ILE A 17 6.458 -7.109 -5.635 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.917 -6.303 -4.417 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.951 -7.003 -5.819 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.623 -4.822 -4.521 1.00 0.00 C ATOM 0 H ILE A 17 6.985 -8.963 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 17 6.414 -9.158 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 17 6.942 -6.692 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.430 -6.699 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.990 -6.443 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.669 -5.955 -5.918 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.655 -7.545 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.448 -7.434 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.976 -4.317 -3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.132 -4.410 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.548 -4.671 -4.623 1.00 0.00 H new ATOM 283 N THR A 18 8.896 -8.693 -6.830 1.00 0.00 N ATOM 284 CA THR A 18 10.331 -8.792 -7.070 1.00 0.00 C ATOM 285 C THR A 18 11.068 -7.571 -6.531 1.00 0.00 C ATOM 286 O THR A 18 10.449 -6.570 -6.167 1.00 0.00 O ATOM 287 CB THR A 18 10.643 -8.945 -8.569 1.00 0.00 C ATOM 288 OG1 THR A 18 10.131 -7.823 -9.296 1.00 0.00 O ATOM 289 CG2 THR A 18 10.040 -10.230 -9.119 1.00 0.00 C ATOM 0 H THR A 18 8.331 -8.630 -7.677 1.00 0.00 H new ATOM 0 HA THR A 18 10.675 -9.682 -6.543 1.00 0.00 H new ATOM 0 HB THR A 18 11.726 -8.989 -8.688 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.336 -7.929 -10.248 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.274 -10.316 -10.180 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.456 -11.085 -8.585 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.958 -10.210 -8.986 1.00 0.00 H new ATOM 297 N GLU A 19 12.393 -7.663 -6.485 1.00 0.00 N ATOM 298 CA GLU A 19 13.224 -6.571 -5.988 1.00 0.00 C ATOM 299 C GLU A 19 13.189 -5.373 -6.931 1.00 0.00 C ATOM 300 O GLU A 19 13.125 -4.225 -6.490 1.00 0.00 O ATOM 301 CB GLU A 19 14.668 -7.046 -5.807 1.00 0.00 C ATOM 302 CG GLU A 19 14.801 -8.259 -4.900 1.00 0.00 C ATOM 303 CD GLU A 19 14.286 -7.998 -3.498 1.00 0.00 C ATOM 304 OE1 GLU A 19 15.059 -7.473 -2.669 1.00 0.00 O ATOM 305 OE2 GLU A 19 13.110 -8.320 -3.229 1.00 0.00 O ATOM 0 H GLU A 19 12.916 -8.485 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 19 12.822 -6.258 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.088 -7.286 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.262 -6.229 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.253 -9.095 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.848 -8.557 -4.849 1.00 0.00 H new ATOM 312 N GLU A 20 13.234 -5.647 -8.232 1.00 0.00 N ATOM 313 CA GLU A 20 13.213 -4.590 -9.239 1.00 0.00 C ATOM 314 C GLU A 20 11.915 -3.788 -9.171 1.00 0.00 C ATOM 315 O GLU A 20 11.928 -2.560 -9.265 1.00 0.00 O ATOM 316 CB GLU A 20 13.393 -5.184 -10.638 1.00 0.00 C ATOM 317 CG GLU A 20 12.377 -6.261 -10.980 1.00 0.00 C ATOM 318 CD GLU A 20 12.617 -6.872 -12.346 1.00 0.00 C ATOM 319 OE1 GLU A 20 12.148 -6.292 -13.348 1.00 0.00 O ATOM 320 OE2 GLU A 20 13.275 -7.931 -12.415 1.00 0.00 O ATOM 0 H GLU A 20 13.285 -6.592 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 20 14.041 -3.913 -9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.323 -4.384 -11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.396 -5.604 -10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.414 -7.045 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.375 -5.834 -10.947 1.00 0.00 H new ATOM 327 N GLU A 21 10.796 -4.488 -9.008 1.00 0.00 N ATOM 328 CA GLU A 21 9.491 -3.839 -8.929 1.00 0.00 C ATOM 329 C GLU A 21 9.298 -3.171 -7.570 1.00 0.00 C ATOM 330 O GLU A 21 8.571 -2.184 -7.450 1.00 0.00 O ATOM 331 CB GLU A 21 8.377 -4.857 -9.174 1.00 0.00 C ATOM 332 CG GLU A 21 8.414 -5.480 -10.561 1.00 0.00 C ATOM 333 CD GLU A 21 8.212 -4.459 -11.665 1.00 0.00 C ATOM 334 OE1 GLU A 21 9.213 -3.853 -12.102 1.00 0.00 O ATOM 335 OE2 GLU A 21 7.054 -4.270 -12.094 1.00 0.00 O ATOM 0 H GLU A 21 10.767 -5.504 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 21 9.446 -3.071 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.449 -5.648 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.413 -4.369 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.371 -5.981 -10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.641 -6.245 -10.632 1.00 0.00 H new ATOM 342 N LEU A 22 9.953 -3.721 -6.553 1.00 0.00 N ATOM 343 CA LEU A 22 9.859 -3.193 -5.195 1.00 0.00 C ATOM 344 C LEU A 22 10.260 -1.720 -5.146 1.00 0.00 C ATOM 345 O LEU A 22 9.591 -0.908 -4.507 1.00 0.00 O ATOM 346 CB LEU A 22 10.751 -4.010 -4.255 1.00 0.00 C ATOM 347 CG LEU A 22 10.699 -3.598 -2.783 1.00 0.00 C ATOM 348 CD1 LEU A 22 9.306 -3.820 -2.213 1.00 0.00 C ATOM 349 CD2 LEU A 22 11.734 -4.372 -1.980 1.00 0.00 C ATOM 0 H LEU A 22 10.558 -4.537 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 22 8.821 -3.272 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.467 -5.059 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.782 -3.933 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 22 10.931 -2.535 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.290 -3.521 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.585 -3.223 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.044 -4.875 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.685 -4.068 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.530 -5.440 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.729 -4.163 -2.372 1.00 0.00 H new ATOM 361 N LYS A 23 11.352 -1.383 -5.823 1.00 0.00 N ATOM 362 CA LYS A 23 11.843 -0.009 -5.849 1.00 0.00 C ATOM 363 C LYS A 23 11.025 0.854 -6.804 1.00 0.00 C ATOM 364 O LYS A 23 10.881 2.059 -6.597 1.00 0.00 O ATOM 365 CB LYS A 23 13.315 0.020 -6.260 1.00 0.00 C ATOM 366 CG LYS A 23 14.239 -0.673 -5.271 1.00 0.00 C ATOM 367 CD LYS A 23 15.686 -0.641 -5.740 1.00 0.00 C ATOM 368 CE LYS A 23 15.901 -1.532 -6.953 1.00 0.00 C ATOM 369 NZ LYS A 23 17.308 -1.479 -7.440 1.00 0.00 N ATOM 0 H LYS A 23 11.915 -2.042 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 23 11.740 0.400 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.420 -0.454 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.631 1.057 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.160 -0.188 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.921 -1.707 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.967 0.383 -5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.339 -0.965 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.644 -2.560 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.228 -1.224 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.413 -2.100 -8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.546 -0.503 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.949 -1.797 -6.685 1.00 0.00 H new ATOM 383 N ARG A 24 10.493 0.231 -7.849 1.00 0.00 N ATOM 384 CA ARG A 24 9.693 0.942 -8.840 1.00 0.00 C ATOM 385 C ARG A 24 8.448 1.556 -8.207 1.00 0.00 C ATOM 386 O ARG A 24 8.097 2.701 -8.491 1.00 0.00 O ATOM 387 CB ARG A 24 9.289 -0.008 -9.969 1.00 0.00 C ATOM 388 CG ARG A 24 8.510 0.668 -11.086 1.00 0.00 C ATOM 389 CD ARG A 24 8.120 -0.325 -12.168 1.00 0.00 C ATOM 390 NE ARG A 24 7.376 0.310 -13.252 1.00 0.00 N ATOM 391 CZ ARG A 24 6.735 -0.365 -14.202 1.00 0.00 C ATOM 392 NH1 ARG A 24 6.746 -1.692 -14.201 1.00 0.00 N ATOM 393 NH2 ARG A 24 6.080 0.287 -15.153 1.00 0.00 N ATOM 0 H ARG A 24 10.601 -0.767 -8.032 1.00 0.00 H new ATOM 0 HA ARG A 24 10.301 1.750 -9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.187 -0.463 -10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.686 -0.816 -9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.613 1.133 -10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.113 1.465 -11.521 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.018 -0.793 -12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.515 -1.119 -11.730 1.00 0.00 H new ATOM 0 HE ARG A 24 7.346 1.329 -13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.247 -2.197 -13.470 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.253 -2.207 -14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.068 1.307 -15.156 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.589 -0.231 -15.881 1.00 0.00 H new ATOM 407 N PHE A 25 7.788 0.787 -7.347 1.00 0.00 N ATOM 408 CA PHE A 25 6.577 1.248 -6.676 1.00 0.00 C ATOM 409 C PHE A 25 6.821 2.544 -5.906 1.00 0.00 C ATOM 410 O PHE A 25 6.117 3.534 -6.103 1.00 0.00 O ATOM 411 CB PHE A 25 6.057 0.164 -5.729 1.00 0.00 C ATOM 412 CG PHE A 25 4.861 0.588 -4.923 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.587 0.525 -5.463 1.00 0.00 C ATOM 414 CD2 PHE A 25 5.013 1.049 -3.624 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.486 0.916 -4.723 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.916 1.440 -2.880 1.00 0.00 C ATOM 417 CZ PHE A 25 2.652 1.373 -3.431 1.00 0.00 C ATOM 0 H PHE A 25 8.072 -0.160 -7.098 1.00 0.00 H new ATOM 0 HA PHE A 25 5.827 1.450 -7.441 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.797 -0.720 -6.311 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.858 -0.126 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.452 0.167 -6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.000 1.103 -3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.498 0.864 -5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.047 1.797 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.793 1.678 -2.851 1.00 0.00 H new ATOM 427 N LYS A 26 7.819 2.531 -5.027 1.00 0.00 N ATOM 428 CA LYS A 26 8.146 3.704 -4.220 1.00 0.00 C ATOM 429 C LYS A 26 8.490 4.910 -5.090 1.00 0.00 C ATOM 430 O LYS A 26 8.254 6.053 -4.698 1.00 0.00 O ATOM 431 CB LYS A 26 9.313 3.397 -3.282 1.00 0.00 C ATOM 432 CG LYS A 26 8.915 2.593 -2.056 1.00 0.00 C ATOM 433 CD LYS A 26 10.105 2.349 -1.141 1.00 0.00 C ATOM 434 CE LYS A 26 9.673 1.741 0.184 1.00 0.00 C ATOM 435 NZ LYS A 26 8.815 2.669 0.971 1.00 0.00 N ATOM 0 H LYS A 26 8.416 1.722 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 26 7.262 3.951 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.076 2.848 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.765 4.335 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.136 3.124 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.492 1.638 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.814 1.684 -1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.624 3.290 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.129 0.815 -0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.556 1.480 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.406 2.161 1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.389 3.464 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.050 3.031 0.367 1.00 0.00 H new ATOM 449 N TYR A 27 9.046 4.651 -6.267 1.00 0.00 N ATOM 450 CA TYR A 27 9.432 5.722 -7.179 1.00 0.00 C ATOM 451 C TYR A 27 8.210 6.375 -7.821 1.00 0.00 C ATOM 452 O TYR A 27 8.203 7.581 -8.073 1.00 0.00 O ATOM 453 CB TYR A 27 10.370 5.183 -8.259 1.00 0.00 C ATOM 454 CG TYR A 27 10.894 6.248 -9.194 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.696 7.281 -8.722 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.587 6.224 -10.549 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.175 8.259 -9.572 1.00 0.00 C ATOM 458 CE2 TYR A 27 11.063 7.198 -11.406 1.00 0.00 C ATOM 459 CZ TYR A 27 11.856 8.213 -10.913 1.00 0.00 C ATOM 460 OH TYR A 27 12.332 9.185 -11.764 1.00 0.00 O ATOM 0 H TYR A 27 9.240 3.711 -6.612 1.00 0.00 H new ATOM 0 HA TYR A 27 9.953 6.484 -6.599 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.213 4.685 -7.780 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.843 4.428 -8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.949 7.319 -7.673 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.966 5.431 -10.939 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.796 9.055 -9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.815 7.165 -12.457 1.00 0.00 H new ATOM 0 HH TYR A 27 12.017 9.006 -12.674 1.00 0.00 H new ATOM 470 N PHE A 28 7.181 5.578 -8.084 1.00 0.00 N ATOM 471 CA PHE A 28 5.959 6.088 -8.700 1.00 0.00 C ATOM 472 C PHE A 28 5.072 6.798 -7.680 1.00 0.00 C ATOM 473 O PHE A 28 4.657 7.936 -7.897 1.00 0.00 O ATOM 474 CB PHE A 28 5.179 4.953 -9.365 1.00 0.00 C ATOM 475 CG PHE A 28 5.548 4.727 -10.805 1.00 0.00 C ATOM 476 CD1 PHE A 28 6.686 4.011 -11.140 1.00 0.00 C ATOM 477 CD2 PHE A 28 4.756 5.233 -11.824 1.00 0.00 C ATOM 478 CE1 PHE A 28 7.027 3.802 -12.464 1.00 0.00 C ATOM 479 CE2 PHE A 28 5.091 5.028 -13.149 1.00 0.00 C ATOM 480 CZ PHE A 28 6.228 4.312 -13.469 1.00 0.00 C ATOM 0 H PHE A 28 7.167 4.578 -7.881 1.00 0.00 H new ATOM 0 HA PHE A 28 6.253 6.813 -9.459 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.349 4.032 -8.807 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.113 5.172 -9.303 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.314 3.611 -10.358 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.866 5.794 -11.579 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.916 3.241 -12.712 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.465 5.427 -13.933 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.492 4.151 -14.504 1.00 0.00 H new ATOM 490 N ALA A 29 4.780 6.123 -6.571 1.00 0.00 N ATOM 491 CA ALA A 29 3.933 6.702 -5.532 1.00 0.00 C ATOM 492 C ALA A 29 4.578 7.942 -4.921 1.00 0.00 C ATOM 493 O ALA A 29 3.958 9.003 -4.855 1.00 0.00 O ATOM 494 CB ALA A 29 3.640 5.671 -4.453 1.00 0.00 C ATOM 0 H ALA A 29 5.115 5.181 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 29 2.993 7.005 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.008 6.117 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.126 4.817 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.576 5.338 -4.004 1.00 0.00 H new ATOM 500 N LEU A 30 5.822 7.803 -4.475 1.00 0.00 N ATOM 501 CA LEU A 30 6.543 8.922 -3.876 1.00 0.00 C ATOM 502 C LEU A 30 7.464 9.577 -4.902 1.00 0.00 C ATOM 503 O LEU A 30 8.617 9.176 -5.058 1.00 0.00 O ATOM 504 CB LEU A 30 7.363 8.458 -2.664 1.00 0.00 C ATOM 505 CG LEU A 30 6.576 7.750 -1.549 1.00 0.00 C ATOM 506 CD1 LEU A 30 5.325 8.533 -1.178 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.218 6.330 -1.962 1.00 0.00 C ATOM 0 H LEU A 30 6.350 6.932 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 30 5.807 9.653 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.144 7.783 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.862 9.326 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 30 7.215 7.701 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.789 8.008 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.608 9.526 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.681 8.626 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.662 5.847 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.605 6.357 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.130 5.768 -2.160 1.00 0.00 H new ATOM 519 N THR A 31 6.949 10.583 -5.602 1.00 0.00 N ATOM 520 CA THR A 31 7.733 11.283 -6.614 1.00 0.00 C ATOM 521 C THR A 31 8.466 12.479 -6.018 1.00 0.00 C ATOM 522 O THR A 31 9.672 12.641 -6.210 1.00 0.00 O ATOM 523 CB THR A 31 6.841 11.764 -7.774 1.00 0.00 C ATOM 524 OG1 THR A 31 5.854 12.682 -7.288 1.00 0.00 O ATOM 525 CG2 THR A 31 6.155 10.586 -8.448 1.00 0.00 C ATOM 0 H THR A 31 5.997 10.931 -5.488 1.00 0.00 H new ATOM 0 HA THR A 31 8.465 10.572 -6.996 1.00 0.00 H new ATOM 0 HB THR A 31 7.473 12.267 -8.506 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.293 12.984 -8.033 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.530 10.948 -9.264 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.908 9.903 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.535 10.061 -7.721 1.00 0.00 H new ATOM 533 N GLU A 32 7.729 13.314 -5.294 1.00 0.00 N ATOM 534 CA GLU A 32 8.306 14.498 -4.667 1.00 0.00 C ATOM 535 C GLU A 32 8.669 14.228 -3.211 1.00 0.00 C ATOM 536 O GLU A 32 9.423 14.986 -2.601 1.00 0.00 O ATOM 537 CB GLU A 32 7.329 15.673 -4.754 1.00 0.00 C ATOM 538 CG GLU A 32 7.073 16.149 -6.174 1.00 0.00 C ATOM 539 CD GLU A 32 8.338 16.608 -6.870 1.00 0.00 C ATOM 540 OE1 GLU A 32 8.694 17.798 -6.729 1.00 0.00 O ATOM 541 OE2 GLU A 32 8.974 15.781 -7.556 1.00 0.00 O ATOM 0 H GLU A 32 6.730 13.193 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 32 9.220 14.752 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.381 15.381 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.720 16.504 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.619 15.341 -6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.355 16.969 -6.155 1.00 0.00 H new ATOM 548 N PHE A 33 8.130 13.145 -2.661 1.00 0.00 N ATOM 549 CA PHE A 33 8.389 12.787 -1.271 1.00 0.00 C ATOM 550 C PHE A 33 9.750 12.118 -1.114 1.00 0.00 C ATOM 551 O PHE A 33 10.341 12.147 -0.034 1.00 0.00 O ATOM 552 CB PHE A 33 7.288 11.862 -0.751 1.00 0.00 C ATOM 553 CG PHE A 33 5.908 12.421 -0.933 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.452 13.449 -0.124 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.070 11.923 -1.917 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.183 13.969 -0.292 1.00 0.00 C ATOM 557 CE2 PHE A 33 3.800 12.440 -2.090 1.00 0.00 C ATOM 558 CZ PHE A 33 3.357 13.464 -1.277 1.00 0.00 C ATOM 0 H PHE A 33 7.512 12.501 -3.155 1.00 0.00 H new ATOM 0 HA PHE A 33 8.395 13.706 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.355 10.904 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.457 11.667 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.095 13.848 0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.413 11.122 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.838 14.769 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.155 12.043 -2.860 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.365 13.870 -1.411 1.00 0.00 H new ATOM 568 N GLN A 34 10.245 11.529 -2.201 1.00 0.00 N ATOM 569 CA GLN A 34 11.541 10.854 -2.188 1.00 0.00 C ATOM 570 C GLN A 34 11.696 9.978 -0.948 1.00 0.00 C ATOM 571 O GLN A 34 12.549 10.237 -0.098 1.00 0.00 O ATOM 572 CB GLN A 34 12.672 11.882 -2.244 1.00 0.00 C ATOM 573 CG GLN A 34 12.666 12.720 -3.511 1.00 0.00 C ATOM 574 CD GLN A 34 12.919 11.893 -4.755 1.00 0.00 C ATOM 575 OE1 GLN A 34 11.986 11.382 -5.376 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.186 11.755 -5.126 1.00 0.00 N ATOM 0 H GLN A 34 9.768 11.506 -3.102 1.00 0.00 H new ATOM 0 HA GLN A 34 11.594 10.212 -3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.595 12.543 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.628 11.364 -2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.705 13.225 -3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.428 13.496 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.928 12.196 -4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.418 11.208 -5.955 1.00 0.00 H new ATOM 585 N ILE A 35 10.865 8.948 -0.846 1.00 0.00 N ATOM 586 CA ILE A 35 10.915 8.040 0.293 1.00 0.00 C ATOM 587 C ILE A 35 12.227 7.256 0.302 1.00 0.00 C ATOM 588 O ILE A 35 12.678 6.769 -0.735 1.00 0.00 O ATOM 589 CB ILE A 35 9.712 7.070 0.286 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.624 6.312 1.612 1.00 0.00 C ATOM 591 CG2 ILE A 35 9.810 6.099 -0.882 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.276 5.659 1.843 1.00 0.00 C ATOM 0 H ILE A 35 10.150 8.721 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 35 10.862 8.642 1.200 1.00 0.00 H new ATOM 0 HB ILE A 35 8.801 7.657 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.399 5.546 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.831 7.001 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.953 5.425 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.818 6.656 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.729 5.519 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.283 5.139 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.498 6.423 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.076 4.945 1.044 1.00 0.00 H new ATOM 604 N ALA A 36 12.841 7.150 1.478 1.00 0.00 N ATOM 605 CA ALA A 36 14.111 6.442 1.622 1.00 0.00 C ATOM 606 C ALA A 36 13.983 4.971 1.240 1.00 0.00 C ATOM 607 O ALA A 36 13.167 4.241 1.799 1.00 0.00 O ATOM 608 CB ALA A 36 14.628 6.575 3.046 1.00 0.00 C ATOM 0 H ALA A 36 12.479 7.546 2.346 1.00 0.00 H new ATOM 0 HA ALA A 36 14.825 6.899 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.575 6.043 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.778 7.629 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.902 6.149 3.738 1.00 0.00 H new ATOM 614 N ARG A 37 14.801 4.546 0.280 1.00 0.00 N ATOM 615 CA ARG A 37 14.794 3.164 -0.183 1.00 0.00 C ATOM 616 C ARG A 37 15.281 2.215 0.909 1.00 0.00 C ATOM 617 O ARG A 37 14.953 1.029 0.908 1.00 0.00 O ATOM 618 CB ARG A 37 15.678 3.028 -1.425 1.00 0.00 C ATOM 619 CG ARG A 37 15.765 1.610 -1.965 1.00 0.00 C ATOM 620 CD ARG A 37 16.742 1.515 -3.126 1.00 0.00 C ATOM 621 NE ARG A 37 16.343 2.357 -4.252 1.00 0.00 N ATOM 622 CZ ARG A 37 17.083 2.528 -5.343 1.00 0.00 C ATOM 623 NH1 ARG A 37 18.256 1.918 -5.454 1.00 0.00 N ATOM 624 NH2 ARG A 37 16.652 3.308 -6.326 1.00 0.00 N ATOM 0 H ARG A 37 15.479 5.143 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 37 13.769 2.894 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.292 3.681 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.682 3.377 -1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.078 0.935 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.778 1.282 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.735 1.810 -2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 37 16.812 0.479 -3.456 1.00 0.00 H new ATOM 0 HE ARG A 37 15.447 2.841 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.591 1.317 -4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 37 18.822 2.050 -6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.751 3.778 -6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.222 3.437 -7.162 1.00 0.00 H new ATOM 638 N SER A 38 16.069 2.744 1.838 1.00 0.00 N ATOM 639 CA SER A 38 16.606 1.943 2.933 1.00 0.00 C ATOM 640 C SER A 38 15.490 1.420 3.834 1.00 0.00 C ATOM 641 O SER A 38 15.621 0.362 4.449 1.00 0.00 O ATOM 642 CB SER A 38 17.596 2.769 3.757 1.00 0.00 C ATOM 643 OG SER A 38 16.966 3.906 4.321 1.00 0.00 O ATOM 0 H SER A 38 16.351 3.724 1.855 1.00 0.00 H new ATOM 0 HA SER A 38 17.124 1.088 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.017 2.152 4.550 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.426 3.085 3.125 1.00 0.00 H new ATOM 0 HG SER A 38 17.619 4.416 4.844 1.00 0.00 H new ATOM 649 N THR A 39 14.392 2.167 3.905 1.00 0.00 N ATOM 650 CA THR A 39 13.251 1.784 4.734 1.00 0.00 C ATOM 651 C THR A 39 12.679 0.433 4.317 1.00 0.00 C ATOM 652 O THR A 39 11.950 -0.199 5.081 1.00 0.00 O ATOM 653 CB THR A 39 12.125 2.834 4.668 1.00 0.00 C ATOM 654 OG1 THR A 39 11.595 2.902 3.339 1.00 0.00 O ATOM 655 CG2 THR A 39 12.634 4.205 5.088 1.00 0.00 C ATOM 0 H THR A 39 14.267 3.043 3.398 1.00 0.00 H new ATOM 0 HA THR A 39 13.627 1.717 5.755 1.00 0.00 H new ATOM 0 HB THR A 39 11.337 2.531 5.358 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.205 3.415 2.769 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.820 4.928 5.033 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.008 4.157 6.111 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.440 4.514 4.422 1.00 0.00 H new ATOM 663 N LEU A 40 13.011 -0.005 3.104 1.00 0.00 N ATOM 664 CA LEU A 40 12.519 -1.276 2.572 1.00 0.00 C ATOM 665 C LEU A 40 12.696 -2.431 3.560 1.00 0.00 C ATOM 666 O LEU A 40 12.045 -3.468 3.426 1.00 0.00 O ATOM 667 CB LEU A 40 13.223 -1.605 1.253 1.00 0.00 C ATOM 668 CG LEU A 40 12.772 -0.771 0.051 1.00 0.00 C ATOM 669 CD1 LEU A 40 13.709 -0.981 -1.127 1.00 0.00 C ATOM 670 CD2 LEU A 40 11.344 -1.122 -0.336 1.00 0.00 C ATOM 0 H LEU A 40 13.623 0.505 2.467 1.00 0.00 H new ATOM 0 HA LEU A 40 11.449 -1.158 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.296 -1.469 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.061 -2.659 1.026 1.00 0.00 H new ATOM 0 HG LEU A 40 12.804 0.282 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.372 -0.380 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.718 -0.680 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.709 -2.034 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.040 -0.519 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.287 -2.179 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.679 -0.920 0.504 1.00 0.00 H new ATOM 682 N ASP A 41 13.575 -2.256 4.543 1.00 0.00 N ATOM 683 CA ASP A 41 13.819 -3.295 5.542 1.00 0.00 C ATOM 684 C ASP A 41 12.513 -3.734 6.202 1.00 0.00 C ATOM 685 O ASP A 41 12.284 -4.923 6.422 1.00 0.00 O ATOM 686 CB ASP A 41 14.797 -2.792 6.604 1.00 0.00 C ATOM 687 CG ASP A 41 15.087 -3.836 7.666 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.941 -4.713 7.418 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.460 -3.777 8.744 1.00 0.00 O ATOM 0 H ASP A 41 14.129 -1.409 4.670 1.00 0.00 H new ATOM 0 HA ASP A 41 14.256 -4.155 5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.730 -2.498 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.387 -1.900 7.078 1.00 0.00 H new ATOM 694 N VAL A 42 11.662 -2.761 6.518 1.00 0.00 N ATOM 695 CA VAL A 42 10.372 -3.029 7.147 1.00 0.00 C ATOM 696 C VAL A 42 9.307 -2.083 6.606 1.00 0.00 C ATOM 697 O VAL A 42 8.226 -1.948 7.180 1.00 0.00 O ATOM 698 CB VAL A 42 10.447 -2.875 8.678 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.242 -4.014 9.295 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.053 -1.530 9.051 1.00 0.00 C ATOM 0 H VAL A 42 11.845 -1.772 6.347 1.00 0.00 H new ATOM 0 HA VAL A 42 10.106 -4.059 6.910 1.00 0.00 H new ATOM 0 HB VAL A 42 9.433 -2.915 9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.282 -3.885 10.377 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.760 -4.963 9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.254 -4.012 8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.098 -1.440 10.136 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.060 -1.458 8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.436 -0.728 8.645 1.00 0.00 H new ATOM 710 N ALA A 43 9.636 -1.436 5.494 1.00 0.00 N ATOM 711 CA ALA A 43 8.745 -0.477 4.851 1.00 0.00 C ATOM 712 C ALA A 43 7.318 -0.988 4.722 1.00 0.00 C ATOM 713 O ALA A 43 6.368 -0.245 4.939 1.00 0.00 O ATOM 714 CB ALA A 43 9.285 -0.106 3.478 1.00 0.00 C ATOM 0 H ALA A 43 10.527 -1.561 5.013 1.00 0.00 H new ATOM 0 HA ALA A 43 8.712 0.403 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.614 0.611 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.274 0.339 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.354 -1.001 2.860 1.00 0.00 H new ATOM 720 N ASP A 44 7.159 -2.262 4.422 1.00 0.00 N ATOM 721 CA ASP A 44 5.825 -2.804 4.224 1.00 0.00 C ATOM 722 C ASP A 44 4.927 -2.592 5.441 1.00 0.00 C ATOM 723 O ASP A 44 3.843 -2.022 5.316 1.00 0.00 O ATOM 724 CB ASP A 44 5.917 -4.298 3.906 1.00 0.00 C ATOM 725 CG ASP A 44 6.689 -5.069 4.961 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.932 -5.129 4.862 1.00 0.00 O ATOM 727 OD2 ASP A 44 6.049 -5.613 5.885 1.00 0.00 O ATOM 0 H ASP A 44 7.920 -2.932 4.311 1.00 0.00 H new ATOM 0 HA ASP A 44 5.375 -2.268 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.912 -4.711 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.399 -4.431 2.937 1.00 0.00 H new ATOM 732 N ARG A 45 5.363 -3.043 6.610 1.00 0.00 N ATOM 733 CA ARG A 45 4.549 -2.889 7.812 1.00 0.00 C ATOM 734 C ARG A 45 4.630 -1.509 8.491 1.00 0.00 C ATOM 735 O ARG A 45 3.627 -0.802 8.591 1.00 0.00 O ATOM 736 CB ARG A 45 4.891 -3.991 8.824 1.00 0.00 C ATOM 737 CG ARG A 45 6.382 -4.185 9.061 1.00 0.00 C ATOM 738 CD ARG A 45 6.651 -5.381 9.960 1.00 0.00 C ATOM 739 NE ARG A 45 6.089 -5.197 11.296 1.00 0.00 N ATOM 740 CZ ARG A 45 6.407 -5.956 12.341 1.00 0.00 C ATOM 741 NH1 ARG A 45 7.278 -6.947 12.204 1.00 0.00 N ATOM 742 NH2 ARG A 45 5.853 -5.726 13.524 1.00 0.00 N ATOM 0 H ARG A 45 6.258 -3.510 6.753 1.00 0.00 H new ATOM 0 HA ARG A 45 3.518 -2.979 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.412 -3.756 9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.465 -4.932 8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.888 -4.325 8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.800 -3.286 9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.226 -6.277 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.726 -5.542 10.038 1.00 0.00 H new ATOM 0 HE ARG A 45 5.415 -4.444 11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.706 -7.128 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.520 -7.528 13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.182 -4.966 13.634 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.098 -6.309 14.324 1.00 0.00 H new ATOM 756 N THR A 46 5.826 -1.136 8.956 1.00 0.00 N ATOM 757 CA THR A 46 6.017 0.111 9.713 1.00 0.00 C ATOM 758 C THR A 46 6.217 1.411 8.919 1.00 0.00 C ATOM 759 O THR A 46 5.447 2.359 9.071 1.00 0.00 O ATOM 760 CB THR A 46 7.205 -0.033 10.681 1.00 0.00 C ATOM 761 OG1 THR A 46 8.418 -0.227 9.943 1.00 0.00 O ATOM 762 CG2 THR A 46 6.991 -1.204 11.629 1.00 0.00 C ATOM 0 H THR A 46 6.679 -1.679 8.823 1.00 0.00 H new ATOM 0 HA THR A 46 5.056 0.229 10.214 1.00 0.00 H new ATOM 0 HB THR A 46 7.279 0.882 11.269 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.169 -0.316 10.566 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.843 -1.286 12.304 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.083 -1.041 12.210 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.893 -2.125 11.054 1.00 0.00 H new ATOM 770 N GLU A 47 7.250 1.452 8.078 1.00 0.00 N ATOM 771 CA GLU A 47 7.619 2.685 7.367 1.00 0.00 C ATOM 772 C GLU A 47 6.653 3.147 6.273 1.00 0.00 C ATOM 773 O GLU A 47 6.120 4.252 6.354 1.00 0.00 O ATOM 774 CB GLU A 47 9.025 2.536 6.786 1.00 0.00 C ATOM 775 CG GLU A 47 10.109 3.165 7.646 1.00 0.00 C ATOM 776 CD GLU A 47 10.172 2.567 9.039 1.00 0.00 C ATOM 777 OE1 GLU A 47 9.415 3.029 9.918 1.00 0.00 O ATOM 778 OE2 GLU A 47 10.979 1.638 9.250 1.00 0.00 O ATOM 0 H GLU A 47 7.847 0.651 7.870 1.00 0.00 H new ATOM 0 HA GLU A 47 7.572 3.469 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.245 1.476 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.050 2.990 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.075 3.038 7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.929 4.237 7.723 1.00 0.00 H new ATOM 785 N LEU A 48 6.429 2.326 5.257 1.00 0.00 N ATOM 786 CA LEU A 48 5.551 2.723 4.153 1.00 0.00 C ATOM 787 C LEU A 48 4.136 3.031 4.627 1.00 0.00 C ATOM 788 O LEU A 48 3.481 3.925 4.093 1.00 0.00 O ATOM 789 CB LEU A 48 5.514 1.646 3.064 1.00 0.00 C ATOM 790 CG LEU A 48 5.630 2.167 1.629 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.611 1.014 0.639 1.00 0.00 C ATOM 792 CD2 LEU A 48 4.512 3.153 1.321 1.00 0.00 C ATOM 0 H LEU A 48 6.833 1.394 5.169 1.00 0.00 H new ATOM 0 HA LEU A 48 5.970 3.638 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.326 0.941 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.582 1.089 3.157 1.00 0.00 H new ATOM 0 HG LEU A 48 6.582 2.689 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.694 1.404 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.449 0.347 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.676 0.463 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.614 3.510 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.548 2.658 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.572 3.998 2.007 1.00 0.00 H new ATOM 804 N ALA A 49 3.668 2.302 5.633 1.00 0.00 N ATOM 805 CA ALA A 49 2.319 2.507 6.151 1.00 0.00 C ATOM 806 C ALA A 49 2.152 3.899 6.755 1.00 0.00 C ATOM 807 O ALA A 49 1.254 4.645 6.370 1.00 0.00 O ATOM 808 CB ALA A 49 1.984 1.438 7.181 1.00 0.00 C ATOM 0 H ALA A 49 4.197 1.568 6.104 1.00 0.00 H new ATOM 0 HA ALA A 49 1.625 2.427 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.975 1.602 7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.042 0.454 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.695 1.492 8.006 1.00 0.00 H new ATOM 814 N ASP A 50 3.018 4.240 7.702 1.00 0.00 N ATOM 815 CA ASP A 50 2.959 5.541 8.364 1.00 0.00 C ATOM 816 C ASP A 50 3.337 6.683 7.420 1.00 0.00 C ATOM 817 O ASP A 50 2.785 7.780 7.508 1.00 0.00 O ATOM 818 CB ASP A 50 3.882 5.551 9.584 1.00 0.00 C ATOM 819 CG ASP A 50 3.749 6.821 10.399 1.00 0.00 C ATOM 820 OD1 ASP A 50 4.415 7.821 10.055 1.00 0.00 O ATOM 821 OD2 ASP A 50 2.980 6.818 11.384 1.00 0.00 O ATOM 0 H ASP A 50 3.770 3.634 8.030 1.00 0.00 H new ATOM 0 HA ASP A 50 1.928 5.700 8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.654 4.692 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.915 5.440 9.255 1.00 0.00 H new ATOM 826 N HIS A 51 4.277 6.415 6.518 1.00 0.00 N ATOM 827 CA HIS A 51 4.753 7.427 5.576 1.00 0.00 C ATOM 828 C HIS A 51 3.632 7.970 4.693 1.00 0.00 C ATOM 829 O HIS A 51 3.399 9.179 4.655 1.00 0.00 O ATOM 830 CB HIS A 51 5.867 6.852 4.698 1.00 0.00 C ATOM 831 CG HIS A 51 6.556 7.882 3.857 1.00 0.00 C ATOM 832 ND1 HIS A 51 7.768 8.452 4.182 1.00 0.00 N ATOM 833 CD2 HIS A 51 6.184 8.442 2.678 1.00 0.00 C ATOM 834 CE1 HIS A 51 8.086 9.322 3.213 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.158 9.353 2.276 1.00 0.00 N ATOM 0 H HIS A 51 4.726 5.504 6.418 1.00 0.00 H new ATOM 0 HA HIS A 51 5.140 8.257 6.168 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.604 6.362 5.334 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.447 6.085 4.047 1.00 0.00 H new ATOM 0 HD1 HIS A 51 8.324 8.248 5.012 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.277 8.217 2.137 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.985 9.920 3.201 1.00 0.00 H new ATOM 843 N LEU A 52 2.949 7.082 3.976 1.00 0.00 N ATOM 844 CA LEU A 52 1.871 7.494 3.083 1.00 0.00 C ATOM 845 C LEU A 52 0.817 8.326 3.815 1.00 0.00 C ATOM 846 O LEU A 52 0.201 9.213 3.226 1.00 0.00 O ATOM 847 CB LEU A 52 1.224 6.280 2.403 1.00 0.00 C ATOM 848 CG LEU A 52 0.812 5.135 3.331 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.569 5.382 3.921 1.00 0.00 C ATOM 850 CD2 LEU A 52 0.839 3.817 2.575 1.00 0.00 C ATOM 0 H LEU A 52 3.122 6.077 3.996 1.00 0.00 H new ATOM 0 HA LEU A 52 2.314 8.124 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.341 6.619 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.921 5.889 1.662 1.00 0.00 H new ATOM 0 HG LEU A 52 1.525 5.085 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.838 4.554 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.560 6.310 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.300 5.460 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.544 3.008 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.145 3.865 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.847 3.632 2.203 1.00 0.00 H new ATOM 862 N ILE A 53 0.608 8.036 5.096 1.00 0.00 N ATOM 863 CA ILE A 53 -0.370 8.773 5.890 1.00 0.00 C ATOM 864 C ILE A 53 -0.018 10.257 5.948 1.00 0.00 C ATOM 865 O ILE A 53 -0.896 11.115 6.034 1.00 0.00 O ATOM 866 CB ILE A 53 -0.467 8.218 7.325 1.00 0.00 C ATOM 867 CG1 ILE A 53 -0.880 6.745 7.299 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.458 9.033 8.147 1.00 0.00 C ATOM 869 CD1 ILE A 53 -0.814 6.074 8.655 1.00 0.00 C ATOM 0 H ILE A 53 1.099 7.301 5.604 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.336 8.649 5.400 1.00 0.00 H new ATOM 0 HB ILE A 53 0.515 8.296 7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.897 6.668 6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.234 6.207 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.514 8.627 9.157 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.128 10.071 8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.443 8.985 7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.120 5.032 8.561 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.207 6.119 9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.481 6.587 9.348 1.00 0.00 H new ATOM 881 N GLN A 54 1.277 10.549 5.896 1.00 0.00 N ATOM 882 CA GLN A 54 1.760 11.924 5.948 1.00 0.00 C ATOM 883 C GLN A 54 1.481 12.654 4.635 1.00 0.00 C ATOM 884 O GLN A 54 1.336 13.876 4.615 1.00 0.00 O ATOM 885 CB GLN A 54 3.260 11.945 6.252 1.00 0.00 C ATOM 886 CG GLN A 54 3.822 13.342 6.468 1.00 0.00 C ATOM 887 CD GLN A 54 5.323 13.338 6.692 1.00 0.00 C ATOM 888 OE1 GLN A 54 5.793 13.225 7.824 1.00 0.00 O ATOM 889 NE2 GLN A 54 6.083 13.462 5.610 1.00 0.00 N ATOM 0 H GLN A 54 2.014 9.848 5.818 1.00 0.00 H new ATOM 0 HA GLN A 54 1.226 12.441 6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.449 11.345 7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.795 11.471 5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.589 13.961 5.602 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.331 13.798 7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.651 13.553 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.099 13.466 5.698 1.00 0.00 H new ATOM 898 N SER A 55 1.406 11.900 3.541 1.00 0.00 N ATOM 899 CA SER A 55 1.159 12.485 2.226 1.00 0.00 C ATOM 900 C SER A 55 -0.325 12.774 2.005 1.00 0.00 C ATOM 901 O SER A 55 -0.707 13.911 1.727 1.00 0.00 O ATOM 902 CB SER A 55 1.679 11.562 1.122 1.00 0.00 C ATOM 903 OG SER A 55 0.939 10.356 1.068 1.00 0.00 O ATOM 0 H SER A 55 1.512 10.886 3.539 1.00 0.00 H new ATOM 0 HA SER A 55 1.697 13.432 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.618 12.072 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.731 11.338 1.298 1.00 0.00 H new ATOM 0 HG SER A 55 0.931 9.937 1.954 1.00 0.00 H new ATOM 909 N ALA A 56 -1.163 11.744 2.125 1.00 0.00 N ATOM 910 CA ALA A 56 -2.600 11.909 1.917 1.00 0.00 C ATOM 911 C ALA A 56 -3.408 11.501 3.147 1.00 0.00 C ATOM 912 O ALA A 56 -4.434 12.108 3.452 1.00 0.00 O ATOM 913 CB ALA A 56 -3.045 11.104 0.704 1.00 0.00 C ATOM 0 H ALA A 56 -0.874 10.795 2.363 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.789 12.968 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.117 11.232 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.512 11.454 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.825 10.049 0.867 1.00 0.00 H new ATOM 919 N GLY A 57 -2.942 10.475 3.851 1.00 0.00 N ATOM 920 CA GLY A 57 -3.647 10.011 5.035 1.00 0.00 C ATOM 921 C GLY A 57 -3.705 8.499 5.121 1.00 0.00 C ATOM 922 O GLY A 57 -3.171 7.805 4.259 1.00 0.00 O ATOM 0 H GLY A 57 -2.093 9.957 3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.154 10.404 5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.661 10.411 5.030 1.00 0.00 H new ATOM 926 N ALA A 58 -4.349 7.985 6.164 1.00 0.00 N ATOM 927 CA ALA A 58 -4.457 6.543 6.354 1.00 0.00 C ATOM 928 C ALA A 58 -5.409 5.905 5.343 1.00 0.00 C ATOM 929 O ALA A 58 -4.978 5.192 4.439 1.00 0.00 O ATOM 930 CB ALA A 58 -4.908 6.231 7.772 1.00 0.00 C ATOM 0 H ALA A 58 -4.802 8.543 6.888 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.468 6.115 6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.985 5.151 7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.182 6.630 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.881 6.688 7.953 1.00 0.00 H new ATOM 936 N ALA A 59 -6.700 6.174 5.494 1.00 0.00 N ATOM 937 CA ALA A 59 -7.709 5.612 4.602 1.00 0.00 C ATOM 938 C ALA A 59 -7.602 6.181 3.191 1.00 0.00 C ATOM 939 O ALA A 59 -7.880 5.491 2.212 1.00 0.00 O ATOM 940 CB ALA A 59 -9.102 5.854 5.163 1.00 0.00 C ATOM 0 H ALA A 59 -7.074 6.778 6.226 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.529 4.539 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.845 5.430 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.188 5.380 6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.273 6.926 5.263 1.00 0.00 H new ATOM 946 N SER A 60 -7.195 7.439 3.093 1.00 0.00 N ATOM 947 CA SER A 60 -7.075 8.107 1.802 1.00 0.00 C ATOM 948 C SER A 60 -5.961 7.513 0.942 1.00 0.00 C ATOM 949 O SER A 60 -6.181 7.165 -0.218 1.00 0.00 O ATOM 950 CB SER A 60 -6.824 9.601 2.011 1.00 0.00 C ATOM 951 OG SER A 60 -6.707 10.277 0.771 1.00 0.00 O ATOM 0 H SER A 60 -6.942 8.019 3.893 1.00 0.00 H new ATOM 0 HA SER A 60 -8.015 7.956 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.641 10.033 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.913 9.742 2.593 1.00 0.00 H new ATOM 0 HG SER A 60 -6.548 11.231 0.932 1.00 0.00 H new ATOM 957 N ALA A 61 -4.764 7.400 1.510 1.00 0.00 N ATOM 958 CA ALA A 61 -3.617 6.875 0.775 1.00 0.00 C ATOM 959 C ALA A 61 -3.714 5.370 0.521 1.00 0.00 C ATOM 960 O ALA A 61 -3.426 4.906 -0.580 1.00 0.00 O ATOM 961 CB ALA A 61 -2.327 7.204 1.507 1.00 0.00 C ATOM 0 H ALA A 61 -4.563 7.664 2.474 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.617 7.361 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.480 6.807 0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.226 8.285 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.348 6.756 2.501 1.00 0.00 H new ATOM 967 N VAL A 62 -4.112 4.612 1.538 1.00 0.00 N ATOM 968 CA VAL A 62 -4.221 3.160 1.406 1.00 0.00 C ATOM 969 C VAL A 62 -5.193 2.760 0.296 1.00 0.00 C ATOM 970 O VAL A 62 -4.998 1.742 -0.369 1.00 0.00 O ATOM 971 CB VAL A 62 -4.656 2.505 2.735 1.00 0.00 C ATOM 972 CG1 VAL A 62 -4.939 1.020 2.545 1.00 0.00 C ATOM 973 CG2 VAL A 62 -3.588 2.708 3.797 1.00 0.00 C ATOM 0 H VAL A 62 -4.363 4.974 2.458 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.228 2.798 1.141 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.577 2.986 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.243 0.583 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.738 0.892 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.038 0.521 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.908 2.241 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.654 2.254 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.435 3.775 3.960 1.00 0.00 H new ATOM 983 N THR A 63 -6.233 3.563 0.091 1.00 0.00 N ATOM 984 CA THR A 63 -7.223 3.272 -0.941 1.00 0.00 C ATOM 985 C THR A 63 -6.673 3.542 -2.338 1.00 0.00 C ATOM 986 O THR A 63 -6.765 2.693 -3.225 1.00 0.00 O ATOM 987 CB THR A 63 -8.511 4.090 -0.745 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.192 5.473 -0.549 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.306 3.570 0.442 1.00 0.00 C ATOM 0 H THR A 63 -6.412 4.415 0.622 1.00 0.00 H new ATOM 0 HA THR A 63 -7.458 2.212 -0.846 1.00 0.00 H new ATOM 0 HB THR A 63 -9.121 3.986 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.050 5.644 0.405 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.212 4.164 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.575 2.528 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.702 3.645 1.346 1.00 0.00 H new ATOM 997 N LYS A 64 -6.104 4.728 -2.532 1.00 0.00 N ATOM 998 CA LYS A 64 -5.546 5.105 -3.827 1.00 0.00 C ATOM 999 C LYS A 64 -4.295 4.290 -4.148 1.00 0.00 C ATOM 1000 O LYS A 64 -3.924 4.140 -5.311 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.227 6.603 -3.854 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.269 7.052 -2.761 1.00 0.00 C ATOM 1003 CD LYS A 64 -2.822 6.987 -3.223 1.00 0.00 C ATOM 1004 CE LYS A 64 -1.868 7.452 -2.134 1.00 0.00 C ATOM 1005 NZ LYS A 64 -0.448 7.404 -2.580 1.00 0.00 N ATOM 0 H LYS A 64 -6.017 5.444 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.293 4.890 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.799 6.855 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.157 7.164 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.510 8.072 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.399 6.422 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.577 5.965 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.694 7.608 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.122 8.471 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.992 6.825 -1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.169 7.729 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.197 6.428 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.323 8.022 -3.407 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.652 3.767 -3.108 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.444 2.967 -3.277 1.00 0.00 C ATOM 1021 C ALA A 65 -2.708 1.744 -4.149 1.00 0.00 C ATOM 1022 O ALA A 65 -1.827 1.287 -4.877 1.00 0.00 O ATOM 1023 CB ALA A 65 -1.903 2.541 -1.921 1.00 0.00 C ATOM 0 H ALA A 65 -3.948 3.883 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.699 3.583 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.001 1.944 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.665 3.425 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.654 1.947 -1.400 1.00 0.00 H new ATOM 1029 N ILE A 66 -3.925 1.222 -4.068 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.311 0.049 -4.845 1.00 0.00 C ATOM 1031 C ILE A 66 -4.301 0.345 -6.341 1.00 0.00 C ATOM 1032 O ILE A 66 -3.810 -0.453 -7.137 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.716 -0.448 -4.445 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.747 -0.844 -2.965 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.141 -1.617 -5.325 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -4.901 -2.057 -2.636 1.00 0.00 C ATOM 0 H ILE A 66 -4.664 1.593 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.577 -0.727 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.424 0.367 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.404 -0.001 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.778 -1.043 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.134 -1.954 -5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.162 -1.299 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.431 -2.436 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.975 -2.274 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.257 -2.915 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.861 -1.856 -2.894 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.849 1.497 -6.713 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.925 1.902 -8.114 1.00 0.00 C ATOM 1050 C ASN A 67 -3.542 1.972 -8.760 1.00 0.00 C ATOM 1051 O ASN A 67 -3.374 1.613 -9.925 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.619 3.260 -8.231 1.00 0.00 C ATOM 1053 CG ASN A 67 -5.842 3.674 -9.672 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -4.984 4.304 -10.288 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -7.003 3.325 -10.215 1.00 0.00 N ATOM 0 H ASN A 67 -5.249 2.171 -6.060 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.505 1.146 -8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.578 3.220 -7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.017 4.017 -7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.212 3.580 -11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.686 2.802 -9.667 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.558 2.442 -8.002 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.196 2.566 -8.512 1.00 0.00 C ATOM 1064 C ILE A 68 -0.496 1.211 -8.588 1.00 0.00 C ATOM 1065 O ILE A 68 0.036 0.833 -9.631 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.354 3.509 -7.631 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.076 4.845 -7.436 1.00 0.00 C ATOM 1068 CG2 ILE A 68 1.021 3.726 -8.247 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.432 5.739 -6.397 1.00 0.00 C ATOM 0 H ILE A 68 -2.676 2.743 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.279 2.981 -9.516 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.222 3.045 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.107 5.374 -8.389 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.109 4.651 -7.146 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.603 4.394 -7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.536 2.769 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.911 4.170 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.998 6.667 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.425 5.230 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.592 5.964 -6.695 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.511 0.486 -7.476 1.00 0.00 N ATOM 1082 CA PHE A 69 0.138 -0.820 -7.391 1.00 0.00 C ATOM 1083 C PHE A 69 -0.384 -1.794 -8.445 1.00 0.00 C ATOM 1084 O PHE A 69 0.380 -2.588 -8.994 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.063 -1.412 -5.996 1.00 0.00 C ATOM 1086 CG PHE A 69 0.568 -2.765 -5.817 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.946 -2.903 -5.808 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.217 -3.895 -5.656 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.530 -4.145 -5.644 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.360 -5.139 -5.492 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.736 -5.265 -5.485 1.00 0.00 C ATOM 0 H PHE A 69 -0.969 0.782 -6.614 1.00 0.00 H new ATOM 0 HA PHE A 69 1.201 -0.668 -7.581 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.352 -0.727 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.131 -1.490 -5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.571 -2.031 -5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.293 -3.802 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.606 -4.240 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.264 -6.012 -5.369 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.190 -6.236 -5.356 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.679 -1.735 -8.726 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.282 -2.634 -9.705 1.00 0.00 C ATOM 1103 C GLN A 70 -1.807 -2.316 -11.124 1.00 0.00 C ATOM 1104 O GLN A 70 -1.261 -3.174 -11.816 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.815 -2.571 -9.623 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.413 -1.224 -9.995 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.924 -1.202 -9.862 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.460 -0.879 -8.803 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.619 -1.546 -10.940 1.00 0.00 N ATOM 0 H GLN A 70 -2.330 -1.079 -8.294 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.961 -3.648 -9.466 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.233 -3.333 -10.281 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.122 -2.822 -8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.984 -0.451 -9.357 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.138 -0.979 -11.021 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.133 -1.807 -11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.639 -1.549 -10.910 1.00 0.00 H new ATOM 1118 N LYS A 71 -1.989 -1.072 -11.535 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.611 -0.636 -12.873 1.00 0.00 C ATOM 1120 C LYS A 71 -0.100 -0.650 -13.083 1.00 0.00 C ATOM 1121 O LYS A 71 0.370 -0.443 -14.202 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.150 0.771 -13.129 1.00 0.00 C ATOM 1123 CG LYS A 71 -3.662 0.870 -13.046 1.00 0.00 C ATOM 1124 CD LYS A 71 -4.138 2.294 -13.284 1.00 0.00 C ATOM 1125 CE LYS A 71 -5.649 2.403 -13.160 1.00 0.00 C ATOM 1126 NZ LYS A 71 -6.126 3.795 -13.382 1.00 0.00 N ATOM 0 H LYS A 71 -2.400 -0.339 -10.957 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.047 -1.342 -13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.710 1.456 -12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.827 1.100 -14.117 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.113 0.206 -13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.997 0.532 -12.066 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.664 2.962 -12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.829 2.621 -14.277 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.121 1.738 -13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.957 2.068 -12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.161 3.826 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.696 4.426 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.855 4.107 -14.336 1.00 0.00 H new ATOM 1140 N LEU A 72 0.667 -0.891 -12.021 1.00 0.00 N ATOM 1141 CA LEU A 72 2.121 -0.864 -12.142 1.00 0.00 C ATOM 1142 C LEU A 72 2.798 -2.230 -12.060 1.00 0.00 C ATOM 1143 O LEU A 72 3.736 -2.497 -12.812 1.00 0.00 O ATOM 1144 CB LEU A 72 2.683 -0.014 -11.010 1.00 0.00 C ATOM 1145 CG LEU A 72 3.166 1.381 -11.396 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.277 1.299 -12.433 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.011 2.228 -11.908 1.00 0.00 C ATOM 0 H LEU A 72 0.315 -1.103 -11.087 1.00 0.00 H new ATOM 0 HA LEU A 72 2.328 -0.463 -13.134 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.915 0.088 -10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.515 -0.552 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 72 3.569 1.860 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.606 2.305 -12.694 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.116 0.737 -12.023 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.905 0.796 -13.326 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.378 3.218 -12.177 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.572 1.753 -12.785 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.254 2.321 -11.129 1.00 0.00 H new ATOM 1159 N ASN A 73 2.339 -3.092 -11.164 1.00 0.00 N ATOM 1160 CA ASN A 73 2.985 -4.394 -11.005 1.00 0.00 C ATOM 1161 C ASN A 73 2.052 -5.592 -11.162 1.00 0.00 C ATOM 1162 O ASN A 73 2.348 -6.519 -11.916 1.00 0.00 O ATOM 1163 CB ASN A 73 3.668 -4.464 -9.640 1.00 0.00 C ATOM 1164 CG ASN A 73 4.724 -3.388 -9.465 1.00 0.00 C ATOM 1165 OD1 ASN A 73 5.345 -2.948 -10.431 1.00 0.00 O ATOM 1166 ND2 ASN A 73 4.933 -2.960 -8.225 1.00 0.00 N ATOM 0 H ASN A 73 1.543 -2.924 -10.549 1.00 0.00 H new ATOM 0 HA ASN A 73 3.708 -4.465 -11.818 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.918 -4.364 -8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.128 -5.444 -9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.631 -2.239 -8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.395 -3.353 -7.452 1.00 0.00 H new ATOM 1173 N TYR A 74 0.929 -5.576 -10.454 1.00 0.00 N ATOM 1174 CA TYR A 74 0.010 -6.719 -10.475 1.00 0.00 C ATOM 1175 C TYR A 74 -1.461 -6.328 -10.580 1.00 0.00 C ATOM 1176 O TYR A 74 -2.241 -6.596 -9.667 1.00 0.00 O ATOM 1177 CB TYR A 74 0.221 -7.584 -9.231 1.00 0.00 C ATOM 1178 CG TYR A 74 1.429 -8.493 -9.314 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.459 -9.560 -10.204 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.535 -8.288 -8.500 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.557 -10.396 -10.280 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.637 -9.120 -8.570 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.643 -10.172 -9.460 1.00 0.00 C ATOM 1184 OH TYR A 74 4.738 -11.002 -9.531 1.00 0.00 O ATOM 0 H TYR A 74 0.631 -4.799 -9.865 1.00 0.00 H new ATOM 0 HA TYR A 74 0.248 -7.279 -11.379 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.326 -6.934 -8.362 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.669 -8.192 -9.068 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.610 -9.739 -10.847 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.534 -7.465 -7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.564 -11.220 -10.978 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.489 -8.946 -7.930 1.00 0.00 H new ATOM 0 HH TYR A 74 5.415 -10.706 -8.888 1.00 0.00 H new ATOM 1194 N MET A 75 -1.838 -5.689 -11.680 1.00 0.00 N ATOM 1195 CA MET A 75 -3.229 -5.288 -11.881 1.00 0.00 C ATOM 1196 C MET A 75 -4.174 -6.473 -11.673 1.00 0.00 C ATOM 1197 O MET A 75 -5.363 -6.294 -11.409 1.00 0.00 O ATOM 1198 CB MET A 75 -3.416 -4.715 -13.288 1.00 0.00 C ATOM 1199 CG MET A 75 -4.833 -4.243 -13.575 1.00 0.00 C ATOM 1200 SD MET A 75 -5.051 -3.687 -15.278 1.00 0.00 S ATOM 1201 CE MET A 75 -3.840 -2.371 -15.366 1.00 0.00 C ATOM 0 H MET A 75 -1.208 -5.438 -12.442 1.00 0.00 H new ATOM 0 HA MET A 75 -3.470 -4.520 -11.146 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.730 -3.879 -13.424 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.141 -5.475 -14.019 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.530 -5.055 -13.370 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.085 -3.428 -12.896 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.052 -1.739 -16.228 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.887 -1.772 -14.456 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.843 -2.800 -15.467 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.633 -7.684 -11.790 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.423 -8.900 -11.616 1.00 0.00 C ATOM 1213 C HIS A 76 -4.607 -9.248 -10.136 1.00 0.00 C ATOM 1214 O HIS A 76 -5.729 -9.467 -9.679 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.755 -10.067 -12.345 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.496 -11.362 -12.212 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -4.153 -12.354 -11.321 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -5.585 -11.819 -12.881 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -5.023 -13.361 -11.475 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.913 -13.087 -12.409 1.00 0.00 N ATOM 0 H HIS A 76 -2.650 -7.849 -12.005 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.410 -8.719 -12.042 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.662 -9.818 -13.402 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.744 -10.195 -11.958 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.113 -11.284 -13.656 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.999 -14.279 -10.907 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.682 -13.681 -12.721 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.501 -9.295 -9.395 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.539 -9.633 -7.972 1.00 0.00 C ATOM 1230 C ILE A 77 -4.282 -8.580 -7.156 1.00 0.00 C ATOM 1231 O ILE A 77 -5.141 -8.910 -6.338 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.115 -9.798 -7.394 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.428 -11.015 -8.022 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.162 -9.927 -5.875 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.020 -11.247 -7.514 1.00 0.00 C ATOM 0 H ILE A 77 -2.567 -9.103 -9.756 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.074 -10.580 -7.898 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.535 -8.908 -7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.028 -11.903 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.398 -10.887 -9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.150 -10.042 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.614 -9.032 -5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.756 -10.799 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.403 -12.125 -8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.596 -10.376 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.044 -11.408 -6.436 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.941 -7.318 -7.380 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.561 -6.215 -6.656 1.00 0.00 C ATOM 1249 C ALA A 78 -6.082 -6.259 -6.752 1.00 0.00 C ATOM 1250 O ALA A 78 -6.777 -5.824 -5.836 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.036 -4.887 -7.175 1.00 0.00 C ATOM 0 H ALA A 78 -3.236 -7.032 -8.059 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.296 -6.318 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.506 -4.071 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.956 -4.843 -7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.269 -4.793 -8.236 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.591 -6.778 -7.865 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.033 -6.873 -8.071 1.00 0.00 C ATOM 1259 C ASN A 79 -8.700 -7.641 -6.931 1.00 0.00 C ATOM 1260 O ASN A 79 -9.795 -7.293 -6.491 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.333 -7.557 -9.406 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.813 -7.560 -9.733 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.321 -6.640 -10.374 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.515 -8.598 -9.292 1.00 0.00 N ATOM 0 H ASN A 79 -6.029 -7.138 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.439 -5.862 -8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.789 -7.049 -10.202 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.968 -8.584 -9.375 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.516 -8.654 -9.481 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.053 -9.339 -8.764 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.040 -8.694 -6.466 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.567 -9.505 -5.373 1.00 0.00 C ATOM 1273 C ALA A 80 -8.473 -8.769 -4.038 1.00 0.00 C ATOM 1274 O ALA A 80 -9.329 -8.931 -3.167 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.825 -10.831 -5.299 1.00 0.00 C ATOM 0 H ALA A 80 -7.139 -9.007 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.621 -9.697 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.227 -11.428 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.951 -11.371 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.765 -10.646 -5.127 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.430 -7.958 -3.888 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.205 -7.206 -2.656 1.00 0.00 C ATOM 1283 C LEU A 81 -8.203 -6.060 -2.495 1.00 0.00 C ATOM 1284 O LEU A 81 -8.733 -5.841 -1.404 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.774 -6.661 -2.631 1.00 0.00 C ATOM 1286 CG LEU A 81 -5.396 -5.868 -1.377 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -5.507 -6.741 -0.136 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -3.988 -5.307 -1.508 1.00 0.00 C ATOM 0 H LEU A 81 -6.724 -7.804 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.352 -7.890 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.083 -7.497 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.632 -6.021 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.093 -5.036 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.234 -6.159 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.532 -7.097 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.834 -7.594 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.735 -4.746 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.280 -6.126 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.939 -4.646 -2.374 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.454 -5.330 -3.578 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.379 -4.198 -3.541 1.00 0.00 C ATOM 1302 C GLU A 82 -10.776 -4.635 -3.111 1.00 0.00 C ATOM 1303 O GLU A 82 -11.547 -3.836 -2.580 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.441 -3.508 -4.907 1.00 0.00 C ATOM 1305 CG GLU A 82 -9.993 -4.386 -6.017 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.220 -3.621 -7.306 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -9.238 -3.398 -8.046 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.379 -3.242 -7.575 1.00 0.00 O ATOM 0 H GLU A 82 -8.032 -5.500 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.003 -3.489 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.059 -2.614 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.439 -3.179 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.301 -5.208 -6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.934 -4.829 -5.691 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.101 -5.901 -3.350 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.409 -6.437 -2.984 1.00 0.00 C ATOM 1317 C GLU A 83 -12.641 -6.332 -1.478 1.00 0.00 C ATOM 1318 O GLU A 83 -13.765 -6.120 -1.028 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.526 -7.897 -3.429 1.00 0.00 C ATOM 1320 CG GLU A 83 -13.895 -8.506 -3.169 1.00 0.00 C ATOM 1321 CD GLU A 83 -15.006 -7.778 -3.900 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -15.280 -8.130 -5.067 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -15.601 -6.855 -3.306 1.00 0.00 O ATOM 0 H GLU A 83 -10.478 -6.575 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.171 -5.846 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.305 -7.962 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.771 -8.488 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.887 -9.552 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.098 -8.490 -2.098 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.567 -6.480 -0.710 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.640 -6.405 0.748 1.00 0.00 C ATOM 1332 C LYS A 84 -12.170 -5.048 1.208 1.00 0.00 C ATOM 1333 O LYS A 84 -12.777 -4.938 2.273 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.261 -6.660 1.359 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.268 -6.732 2.879 1.00 0.00 C ATOM 1336 CD LYS A 84 -8.888 -7.049 3.436 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.005 -5.810 3.508 1.00 0.00 C ATOM 1338 NZ LYS A 84 -7.699 -5.257 2.159 1.00 0.00 N ATOM 0 H LYS A 84 -10.630 -6.654 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.333 -7.174 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.865 -7.595 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.582 -5.867 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.615 -5.782 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.975 -7.495 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.989 -7.481 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.408 -7.801 2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.501 -5.047 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.074 -6.059 4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.747 -4.839 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.739 -6.020 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.397 -4.525 1.917 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.932 -4.019 0.399 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.366 -2.662 0.724 1.00 0.00 C ATOM 1354 C LYS A 85 -13.844 -2.616 1.108 1.00 0.00 C ATOM 1355 O LYS A 85 -14.241 -1.820 1.960 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.111 -1.726 -0.459 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.493 -0.279 -0.189 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.285 0.589 -1.419 1.00 0.00 C ATOM 1359 CE LYS A 85 -12.654 2.039 -1.150 1.00 0.00 C ATOM 1360 NZ LYS A 85 -12.492 2.887 -2.363 1.00 0.00 N ATOM 0 H LYS A 85 -11.439 -4.099 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.784 -2.331 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.055 -1.770 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.671 -2.085 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.537 -0.229 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.896 0.108 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.243 0.531 -1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.889 0.206 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.686 2.093 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.029 2.430 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.754 3.868 -2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.501 2.856 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.108 2.530 -3.121 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.656 -3.462 0.478 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.086 -3.497 0.772 1.00 0.00 C ATOM 1376 C LYS A 86 -16.328 -3.667 2.272 1.00 0.00 C ATOM 1377 O LYS A 86 -17.249 -3.072 2.833 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.773 -4.624 -0.006 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.446 -6.018 0.507 1.00 0.00 C ATOM 1380 CD LYS A 86 -17.181 -7.088 -0.285 1.00 0.00 C ATOM 1381 CE LYS A 86 -16.841 -8.482 0.216 1.00 0.00 C ATOM 1382 NZ LYS A 86 -17.215 -8.663 1.647 1.00 0.00 N ATOM 0 H LYS A 86 -14.352 -4.127 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.516 -2.546 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.852 -4.476 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.484 -4.557 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.371 -6.189 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.717 -6.092 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.256 -6.925 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.920 -7.005 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.360 -9.223 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.773 -8.661 0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.176 -9.673 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.551 -8.135 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.180 -8.307 1.801 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.493 -4.479 2.915 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.611 -4.725 4.349 1.00 0.00 C ATOM 1398 C GLU A 87 -15.048 -3.557 5.154 1.00 0.00 C ATOM 1399 O GLU A 87 -15.492 -3.288 6.270 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.882 -6.017 4.729 1.00 0.00 C ATOM 1401 CG GLU A 87 -14.988 -6.367 6.205 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.285 -7.665 6.549 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -13.057 -7.634 6.772 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -14.964 -8.713 6.593 1.00 0.00 O ATOM 0 H GLU A 87 -14.726 -4.978 2.465 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.670 -4.828 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.288 -6.839 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.830 -5.922 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.560 -5.558 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.040 -6.443 6.482 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.065 -2.868 4.583 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.437 -1.733 5.250 1.00 0.00 C ATOM 1413 C ALA A 88 -14.452 -0.639 5.568 1.00 0.00 C ATOM 1414 O ALA A 88 -14.287 0.112 6.529 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.309 -1.175 4.394 1.00 0.00 C ATOM 0 H ALA A 88 -13.686 -3.076 3.659 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.024 -2.088 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.850 -0.328 4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.560 -1.950 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.709 -0.847 3.434 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.500 -0.555 4.752 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.543 0.451 4.939 1.00 0.00 C ATOM 1423 C GLU A 89 -17.105 0.417 6.359 1.00 0.00 C ATOM 1424 O GLU A 89 -17.115 1.433 7.055 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.674 0.236 3.931 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.231 0.371 2.483 1.00 0.00 C ATOM 1427 CD GLU A 89 -18.367 0.159 1.503 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -19.052 1.147 1.165 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -18.575 -0.996 1.073 1.00 0.00 O ATOM 0 H GLU A 89 -15.650 -1.172 3.954 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.091 1.429 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.100 -0.756 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.468 0.957 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.803 1.362 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.441 -0.352 2.280 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.573 -0.752 6.782 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.142 -0.910 8.117 1.00 0.00 C ATOM 1438 C ARG A 90 -17.065 -0.799 9.193 1.00 0.00 C ATOM 1439 O ARG A 90 -17.341 -0.384 10.318 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.859 -2.256 8.236 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.950 -3.451 8.005 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.695 -4.764 8.180 1.00 0.00 C ATOM 1443 NE ARG A 90 -19.222 -4.920 9.532 1.00 0.00 N ATOM 1444 CZ ARG A 90 -20.005 -5.928 9.907 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -20.360 -6.858 9.032 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -20.435 -6.006 11.159 1.00 0.00 N ATOM 0 H ARG A 90 -17.570 -1.604 6.221 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.863 -0.106 8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.304 -2.335 9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.677 -2.288 7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.531 -3.401 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.113 -3.412 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.515 -4.813 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.025 -5.593 7.955 1.00 0.00 H new ATOM 0 HE ARG A 90 -18.976 -4.217 10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.033 -6.802 8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.960 -7.629 9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -20.165 -5.292 11.836 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -21.035 -6.780 11.445 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.838 -1.172 8.841 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.723 -1.113 9.781 1.00 0.00 C ATOM 1462 C LYS A 91 -14.447 0.323 10.215 1.00 0.00 C ATOM 1463 O LYS A 91 -13.878 0.559 11.281 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.464 -1.721 9.157 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.558 -3.222 8.937 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.304 -3.775 8.278 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.078 -3.599 9.162 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.247 -4.266 10.484 1.00 0.00 N ATOM 0 H LYS A 91 -15.591 -1.518 7.914 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.998 -1.692 10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.271 -1.234 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.611 -1.509 9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.716 -3.720 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.424 -3.445 8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.445 -4.833 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.141 -3.271 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.204 -4.010 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.889 -2.536 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.325 -4.332 10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.901 -3.711 11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.633 -5.222 10.344 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.854 1.277 9.385 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.652 2.691 9.685 1.00 0.00 C ATOM 1484 C LEU A 92 -15.974 3.374 10.021 1.00 0.00 C ATOM 1485 O LEU A 92 -15.993 4.520 10.474 1.00 0.00 O ATOM 1486 CB LEU A 92 -13.992 3.396 8.497 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.577 2.923 8.162 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.072 3.613 6.903 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.634 3.186 9.328 1.00 0.00 C ATOM 0 H LEU A 92 -15.326 1.098 8.499 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.997 2.760 10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.621 3.258 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.961 4.466 8.702 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.607 1.849 7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.064 3.266 6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.732 3.376 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.058 4.692 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.632 2.843 9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.608 4.255 9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.986 2.649 10.209 1.00 0.00 H new ATOM 1501 N MET A 93 -17.077 2.667 9.797 1.00 0.00 N ATOM 1502 CA MET A 93 -18.402 3.210 10.075 1.00 0.00 C ATOM 1503 C MET A 93 -18.804 2.949 11.524 1.00 0.00 C ATOM 1504 O MET A 93 -19.633 3.664 12.087 1.00 0.00 O ATOM 1505 CB MET A 93 -19.436 2.598 9.127 1.00 0.00 C ATOM 1506 CG MET A 93 -20.817 3.220 9.254 1.00 0.00 C ATOM 1507 SD MET A 93 -20.819 4.986 8.884 1.00 0.00 S ATOM 1508 CE MET A 93 -22.532 5.403 9.205 1.00 0.00 C ATOM 0 H MET A 93 -17.080 1.718 9.424 1.00 0.00 H new ATOM 0 HA MET A 93 -18.367 4.288 9.916 1.00 0.00 H new ATOM 0 HB2 MET A 93 -19.088 2.711 8.100 1.00 0.00 H new ATOM 0 HB3 MET A 93 -19.509 1.528 9.323 1.00 0.00 H new ATOM 0 HG2 MET A 93 -21.504 2.710 8.579 1.00 0.00 H new ATOM 0 HG3 MET A 93 -21.190 3.064 10.266 1.00 0.00 H new ATOM 0 HE1 MET A 93 -22.689 6.466 9.019 1.00 0.00 H new ATOM 0 HE2 MET A 93 -23.178 4.821 8.548 1.00 0.00 H new ATOM 0 HE3 MET A 93 -22.773 5.177 10.244 1.00 0.00 H new ATOM 1518 N THR A 94 -18.210 1.920 12.120 1.00 0.00 N ATOM 1519 CA THR A 94 -18.503 1.560 13.503 1.00 0.00 C ATOM 1520 C THR A 94 -18.187 2.711 14.453 1.00 0.00 C ATOM 1521 O THR A 94 -17.216 3.443 14.256 1.00 0.00 O ATOM 1522 CB THR A 94 -17.708 0.315 13.939 1.00 0.00 C ATOM 1523 OG1 THR A 94 -17.979 0.017 15.313 1.00 0.00 O ATOM 1524 CG2 THR A 94 -16.214 0.532 13.748 1.00 0.00 C ATOM 0 H THR A 94 -17.522 1.320 11.666 1.00 0.00 H new ATOM 0 HA THR A 94 -19.569 1.337 13.552 1.00 0.00 H new ATOM 0 HB THR A 94 -18.020 -0.524 13.317 1.00 0.00 H new ATOM 0 HG1 THR A 94 -17.471 -0.777 15.582 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.674 -0.361 14.063 1.00 0.00 H new ATOM 0 HG22 THR A 94 -16.007 0.730 12.696 1.00 0.00 H new ATOM 0 HG23 THR A 94 -15.890 1.383 14.348 1.00 0.00 H new ATOM 1532 N ASN A 95 -19.013 2.864 15.483 1.00 0.00 N ATOM 1533 CA ASN A 95 -18.825 3.925 16.465 1.00 0.00 C ATOM 1534 C ASN A 95 -18.280 3.367 17.778 1.00 0.00 C ATOM 1535 O ASN A 95 -19.078 3.165 18.716 1.00 0.00 O ATOM 1536 CB ASN A 95 -20.144 4.668 16.704 1.00 0.00 C ATOM 1537 CG ASN A 95 -21.303 3.728 16.983 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -21.914 3.190 16.060 1.00 0.00 O ATOM 1539 ND2 ASN A 95 -21.620 3.539 18.259 1.00 0.00 N ATOM 1540 OXT ASN A 95 -17.055 3.135 17.856 1.00 0.00 O ATOM 0 H ASN A 95 -19.820 2.266 15.659 1.00 0.00 H new ATOM 0 HA ASN A 95 -18.093 4.629 16.069 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -20.025 5.351 17.545 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -20.377 5.277 15.830 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -22.398 2.927 18.506 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -21.086 4.006 18.992 1.00 0.00 H new TER 1547 ASN A 95