USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 28 ASN : amide:sc= -0.203 X(o=-0.28,f=-0.47) USER MOD Set 1.2: A 50 HIS :FLIP no HD1:sc= -0.0798 F(o=-0.91,f=-0.28) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 0.00398 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.708) USER MOD Single : A 14 GLN : amide:sc= 0.0996 K(o=0.1,f=-0.82) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.168 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 72:sc= 0.563 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.8 K(o=-0.8,f=-8.8!) USER MOD Single : A 26 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-4.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.856 X(o=-0.86,f=-0.46) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 40 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 43 ASN : amide:sc= 0.374 X(o=0.37,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 1.03 (180deg=0.911) USER MOD Single : A 59 SER OG : rot -35:sc= 0.012 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 40:sc= 0.495 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.746 12.308 23.237 1.00 0.00 N ATOM 2 CA GLY A 1 -8.638 12.186 22.282 1.00 0.00 C ATOM 3 C GLY A 1 -9.123 12.501 20.883 1.00 0.00 C ATOM 4 O GLY A 1 -9.859 11.699 20.307 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.404 12.090 24.195 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.118 13.279 23.215 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.502 11.642 22.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.832 12.866 22.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.228 11.177 22.315 1.00 0.00 H new ATOM 8 N SER A 2 -8.711 13.649 20.341 1.00 0.00 N ATOM 9 CA SER A 2 -9.204 14.233 19.099 1.00 0.00 C ATOM 10 C SER A 2 -8.852 13.451 17.833 1.00 0.00 C ATOM 11 O SER A 2 -9.306 13.825 16.755 1.00 0.00 O ATOM 12 CB SER A 2 -8.599 15.634 18.943 1.00 0.00 C ATOM 13 OG SER A 2 -8.523 16.350 20.163 1.00 0.00 O ATOM 0 H SER A 2 -7.990 14.221 20.780 1.00 0.00 H new ATOM 0 HA SER A 2 -10.290 14.231 19.187 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.599 15.545 18.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.197 16.204 18.232 1.00 0.00 H new ATOM 0 HG SER A 2 -8.129 17.232 20.000 1.00 0.00 H new ATOM 19 N SER A 3 -8.000 12.424 17.919 1.00 0.00 N ATOM 20 CA SER A 3 -7.230 11.955 16.770 1.00 0.00 C ATOM 21 C SER A 3 -6.455 13.147 16.169 1.00 0.00 C ATOM 22 O SER A 3 -5.978 13.994 16.939 1.00 0.00 O ATOM 23 CB SER A 3 -8.142 11.192 15.799 1.00 0.00 C ATOM 24 OG SER A 3 -8.919 10.230 16.495 1.00 0.00 O ATOM 0 H SER A 3 -7.828 11.902 18.778 1.00 0.00 H new ATOM 0 HA SER A 3 -6.473 11.226 17.058 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.798 11.892 15.282 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.539 10.698 15.037 1.00 0.00 H new ATOM 0 HG SER A 3 -9.495 9.754 15.861 1.00 0.00 H new ATOM 30 N GLY A 4 -6.302 13.235 14.842 1.00 0.00 N ATOM 31 CA GLY A 4 -5.850 14.449 14.167 1.00 0.00 C ATOM 32 C GLY A 4 -4.392 14.795 14.452 1.00 0.00 C ATOM 33 O GLY A 4 -4.082 15.955 14.737 1.00 0.00 O ATOM 0 H GLY A 4 -6.490 12.460 14.207 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.983 14.329 13.092 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.480 15.283 14.475 1.00 0.00 H new ATOM 37 N SER A 5 -3.518 13.793 14.395 1.00 0.00 N ATOM 38 CA SER A 5 -2.072 13.956 14.383 1.00 0.00 C ATOM 39 C SER A 5 -1.541 13.058 13.260 1.00 0.00 C ATOM 40 O SER A 5 -1.829 13.352 12.097 1.00 0.00 O ATOM 41 CB SER A 5 -1.497 13.674 15.774 1.00 0.00 C ATOM 42 OG SER A 5 -1.716 14.752 16.661 1.00 0.00 O ATOM 0 H SER A 5 -3.809 12.816 14.355 1.00 0.00 H new ATOM 0 HA SER A 5 -1.757 14.978 14.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.953 12.771 16.180 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.427 13.482 15.693 1.00 0.00 H new ATOM 0 HG SER A 5 -2.451 15.307 16.326 1.00 0.00 H new ATOM 48 N SER A 6 -0.853 11.948 13.548 1.00 0.00 N ATOM 49 CA SER A 6 -0.464 11.005 12.507 1.00 0.00 C ATOM 50 C SER A 6 -1.715 10.317 11.972 1.00 0.00 C ATOM 51 O SER A 6 -2.514 9.793 12.755 1.00 0.00 O ATOM 52 CB SER A 6 0.497 9.938 13.041 1.00 0.00 C ATOM 53 OG SER A 6 1.555 10.487 13.806 1.00 0.00 O ATOM 0 H SER A 6 -0.558 11.686 14.489 1.00 0.00 H new ATOM 0 HA SER A 6 0.045 11.559 11.719 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.059 9.229 13.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.913 9.378 12.203 1.00 0.00 H new ATOM 0 HG SER A 6 2.137 9.766 14.124 1.00 0.00 H new ATOM 59 N GLY A 7 -1.855 10.285 10.650 1.00 0.00 N ATOM 60 CA GLY A 7 -2.713 9.342 9.962 1.00 0.00 C ATOM 61 C GLY A 7 -1.803 8.297 9.338 1.00 0.00 C ATOM 62 O GLY A 7 -1.146 7.553 10.068 1.00 0.00 O ATOM 0 H GLY A 7 -1.366 10.925 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.414 8.879 10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.306 9.845 9.198 1.00 0.00 H new ATOM 66 N VAL A 8 -1.698 8.315 8.008 1.00 0.00 N ATOM 67 CA VAL A 8 -1.136 7.294 7.116 1.00 0.00 C ATOM 68 C VAL A 8 -1.584 5.862 7.454 1.00 0.00 C ATOM 69 O VAL A 8 -2.295 5.598 8.428 1.00 0.00 O ATOM 70 CB VAL A 8 0.397 7.422 6.931 1.00 0.00 C ATOM 71 CG1 VAL A 8 0.824 8.864 6.614 1.00 0.00 C ATOM 72 CG2 VAL A 8 1.204 6.846 8.104 1.00 0.00 C ATOM 0 H VAL A 8 -2.035 9.118 7.477 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.571 7.505 6.139 1.00 0.00 H new ATOM 0 HB VAL A 8 0.635 6.806 6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.906 8.905 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.343 9.192 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.526 9.520 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.269 6.969 7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.940 7.373 9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.976 5.786 8.217 1.00 0.00 H new ATOM 82 N GLU A 9 -1.152 4.896 6.651 1.00 0.00 N ATOM 83 CA GLU A 9 -1.483 3.496 6.853 1.00 0.00 C ATOM 84 C GLU A 9 -0.301 2.614 6.467 1.00 0.00 C ATOM 85 O GLU A 9 0.717 3.115 5.986 1.00 0.00 O ATOM 86 CB GLU A 9 -2.746 3.175 6.035 1.00 0.00 C ATOM 87 CG GLU A 9 -3.574 2.066 6.692 1.00 0.00 C ATOM 88 CD GLU A 9 -5.041 2.504 6.776 1.00 0.00 C ATOM 89 OE1 GLU A 9 -5.762 2.413 5.755 1.00 0.00 O ATOM 90 OE2 GLU A 9 -5.425 3.020 7.853 1.00 0.00 O ATOM 0 H GLU A 9 -0.559 5.066 5.838 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.690 3.295 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.354 4.074 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.461 2.870 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.491 1.145 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.189 1.853 7.689 1.00 0.00 H new ATOM 97 N ASN A 10 -0.460 1.300 6.633 1.00 0.00 N ATOM 98 CA ASN A 10 0.407 0.281 6.040 1.00 0.00 C ATOM 99 C ASN A 10 0.442 0.441 4.509 1.00 0.00 C ATOM 100 O ASN A 10 -0.286 1.263 3.939 1.00 0.00 O ATOM 101 CB ASN A 10 -0.080 -1.121 6.459 1.00 0.00 C ATOM 102 CG ASN A 10 0.167 -1.421 7.938 1.00 0.00 C ATOM 103 OD1 ASN A 10 1.209 -1.072 8.482 1.00 0.00 O ATOM 104 ND2 ASN A 10 -0.769 -2.058 8.625 1.00 0.00 N ATOM 0 H ASN A 10 -1.213 0.906 7.197 1.00 0.00 H new ATOM 0 HA ASN A 10 1.426 0.406 6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.146 -1.207 6.249 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.426 -1.872 5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.626 -2.262 9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.633 -2.345 8.165 1.00 0.00 H new ATOM 111 N LEU A 11 1.267 -0.347 3.815 1.00 0.00 N ATOM 112 CA LEU A 11 1.414 -0.247 2.373 1.00 0.00 C ATOM 113 C LEU A 11 0.067 -0.631 1.747 1.00 0.00 C ATOM 114 O LEU A 11 -0.661 -1.464 2.281 1.00 0.00 O ATOM 115 CB LEU A 11 2.616 -1.113 1.926 1.00 0.00 C ATOM 116 CG LEU A 11 2.637 -1.448 0.443 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.792 -0.191 -0.413 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.782 -2.427 0.171 1.00 0.00 C ATOM 0 H LEU A 11 1.848 -1.069 4.242 1.00 0.00 H new ATOM 0 HA LEU A 11 1.646 0.762 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.538 -0.590 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.609 -2.043 2.495 1.00 0.00 H new ATOM 0 HG LEU A 11 1.686 -1.907 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.803 -0.468 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.957 0.483 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.727 0.309 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.805 -2.674 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.728 -1.969 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.629 -3.337 0.751 1.00 0.00 H new ATOM 130 N LYS A 12 -0.287 -0.054 0.598 1.00 0.00 N ATOM 131 CA LYS A 12 -1.432 -0.485 -0.191 1.00 0.00 C ATOM 132 C LYS A 12 -0.973 -0.679 -1.624 1.00 0.00 C ATOM 133 O LYS A 12 -0.181 0.113 -2.149 1.00 0.00 O ATOM 134 CB LYS A 12 -2.586 0.521 -0.087 1.00 0.00 C ATOM 135 CG LYS A 12 -3.126 0.637 1.349 1.00 0.00 C ATOM 136 CD LYS A 12 -4.631 0.916 1.384 1.00 0.00 C ATOM 137 CE LYS A 12 -5.083 0.954 2.842 1.00 0.00 C ATOM 138 NZ LYS A 12 -6.297 1.751 3.113 1.00 0.00 N ATOM 0 H LYS A 12 0.219 0.731 0.189 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.818 -1.429 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.245 1.499 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.393 0.216 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.918 -0.287 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.599 1.436 1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.852 1.864 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.172 0.142 0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.259 -0.069 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.267 1.351 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.219 2.195 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.397 2.489 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.131 1.131 3.092 1.00 0.00 H new ATOM 152 N ALA A 13 -1.467 -1.737 -2.256 1.00 0.00 N ATOM 153 CA ALA A 13 -1.140 -2.091 -3.620 1.00 0.00 C ATOM 154 C ALA A 13 -2.443 -2.444 -4.328 1.00 0.00 C ATOM 155 O ALA A 13 -3.249 -3.214 -3.801 1.00 0.00 O ATOM 156 CB ALA A 13 -0.096 -3.211 -3.640 1.00 0.00 C ATOM 0 H ALA A 13 -2.122 -2.385 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.679 -1.262 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.142 -3.468 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.808 -2.875 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.494 -4.088 -3.130 1.00 0.00 H new ATOM 162 N GLN A 14 -2.683 -1.830 -5.486 1.00 0.00 N ATOM 163 CA GLN A 14 -3.872 -2.041 -6.284 1.00 0.00 C ATOM 164 C GLN A 14 -3.622 -3.219 -7.225 1.00 0.00 C ATOM 165 O GLN A 14 -2.580 -3.281 -7.887 1.00 0.00 O ATOM 166 CB GLN A 14 -4.170 -0.741 -7.037 1.00 0.00 C ATOM 167 CG GLN A 14 -5.593 -0.663 -7.573 1.00 0.00 C ATOM 168 CD GLN A 14 -5.889 0.705 -8.196 1.00 0.00 C ATOM 169 OE1 GLN A 14 -5.003 1.547 -8.339 1.00 0.00 O ATOM 170 NE2 GLN A 14 -7.110 0.979 -8.604 1.00 0.00 N ATOM 0 H GLN A 14 -2.036 -1.158 -5.898 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.741 -2.287 -5.673 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.994 0.104 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.471 -0.643 -7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.744 -1.443 -8.319 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.298 -0.855 -6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.852 0.289 -8.491 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.314 1.881 -9.034 1.00 0.00 H new ATOM 179 N ALA A 15 -4.566 -4.154 -7.275 1.00 0.00 N ATOM 180 CA ALA A 15 -4.509 -5.311 -8.150 1.00 0.00 C ATOM 181 C ALA A 15 -4.647 -4.907 -9.620 1.00 0.00 C ATOM 182 O ALA A 15 -5.284 -3.903 -9.956 1.00 0.00 O ATOM 183 CB ALA A 15 -5.592 -6.300 -7.717 1.00 0.00 C ATOM 0 H ALA A 15 -5.406 -4.124 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.535 -5.793 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.564 -7.177 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.415 -6.605 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.570 -5.825 -7.792 1.00 0.00 H new ATOM 189 N LEU A 16 -4.050 -5.704 -10.511 1.00 0.00 N ATOM 190 CA LEU A 16 -3.986 -5.474 -11.960 1.00 0.00 C ATOM 191 C LEU A 16 -4.873 -6.453 -12.746 1.00 0.00 C ATOM 192 O LEU A 16 -4.990 -6.334 -13.971 1.00 0.00 O ATOM 193 CB LEU A 16 -2.545 -5.620 -12.487 1.00 0.00 C ATOM 194 CG LEU A 16 -1.467 -4.766 -11.802 1.00 0.00 C ATOM 195 CD1 LEU A 16 -0.087 -5.225 -12.276 1.00 0.00 C ATOM 196 CD2 LEU A 16 -1.655 -3.278 -12.094 1.00 0.00 C ATOM 0 H LEU A 16 -3.578 -6.564 -10.232 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.346 -4.457 -12.113 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.256 -6.667 -12.399 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.546 -5.378 -13.550 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.555 -4.900 -10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.682 -4.623 -11.793 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.057 -6.274 -12.016 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.016 -5.106 -13.357 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.874 -2.707 -11.592 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.595 -3.108 -13.169 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.630 -2.956 -11.729 1.00 0.00 H new ATOM 208 N CYS A 17 -5.459 -7.450 -12.082 1.00 0.00 N ATOM 209 CA CYS A 17 -6.382 -8.439 -12.627 1.00 0.00 C ATOM 210 C CYS A 17 -7.288 -8.896 -11.483 1.00 0.00 C ATOM 211 O CYS A 17 -7.007 -8.557 -10.333 1.00 0.00 O ATOM 212 CB CYS A 17 -5.594 -9.627 -13.201 1.00 0.00 C ATOM 213 SG CYS A 17 -6.634 -10.506 -14.393 1.00 0.00 S ATOM 0 H CYS A 17 -5.289 -7.595 -11.087 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.979 -8.014 -13.434 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.683 -9.275 -13.684 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.290 -10.300 -12.399 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.974 -11.512 -14.886 1.00 0.00 H new ATOM 219 N SER A 18 -8.326 -9.681 -11.773 1.00 0.00 N ATOM 220 CA SER A 18 -8.967 -10.462 -10.728 1.00 0.00 C ATOM 221 C SER A 18 -8.146 -11.734 -10.511 1.00 0.00 C ATOM 222 O SER A 18 -7.443 -12.191 -11.420 1.00 0.00 O ATOM 223 CB SER A 18 -10.428 -10.766 -11.085 1.00 0.00 C ATOM 224 OG SER A 18 -10.548 -11.626 -12.203 1.00 0.00 O ATOM 0 H SER A 18 -8.730 -9.789 -12.703 1.00 0.00 H new ATOM 0 HA SER A 18 -8.996 -9.896 -9.797 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.921 -11.222 -10.226 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.949 -9.832 -11.293 1.00 0.00 H new ATOM 0 HG SER A 18 -11.496 -11.790 -12.389 1.00 0.00 H new ATOM 230 N TRP A 19 -8.247 -12.333 -9.331 1.00 0.00 N ATOM 231 CA TRP A 19 -7.680 -13.627 -9.021 1.00 0.00 C ATOM 232 C TRP A 19 -8.374 -14.116 -7.758 1.00 0.00 C ATOM 233 O TRP A 19 -8.356 -13.420 -6.740 1.00 0.00 O ATOM 234 CB TRP A 19 -6.173 -13.495 -8.802 1.00 0.00 C ATOM 235 CG TRP A 19 -5.491 -14.776 -8.468 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.422 -15.859 -9.269 1.00 0.00 C ATOM 237 CD2 TRP A 19 -4.831 -15.145 -7.228 1.00 0.00 C ATOM 238 NE1 TRP A 19 -4.708 -16.854 -8.634 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.369 -16.487 -7.346 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.617 -14.483 -6.004 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -3.733 -17.151 -6.286 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -3.990 -15.137 -4.930 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.536 -16.458 -5.077 1.00 0.00 C ATOM 0 H TRP A 19 -8.742 -11.914 -8.544 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.828 -14.335 -9.836 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.721 -13.080 -9.703 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.995 -12.781 -7.998 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -5.858 -15.935 -10.254 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.462 -17.747 -9.061 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.939 -13.459 -5.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.401 -18.173 -6.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.857 -14.623 -3.990 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.032 -16.946 -4.256 1.00 0.00 H new ATOM 254 N THR A 20 -9.023 -15.278 -7.823 1.00 0.00 N ATOM 255 CA THR A 20 -9.617 -15.849 -6.626 1.00 0.00 C ATOM 256 C THR A 20 -8.509 -16.455 -5.762 1.00 0.00 C ATOM 257 O THR A 20 -7.421 -16.765 -6.257 1.00 0.00 O ATOM 258 CB THR A 20 -10.717 -16.868 -6.968 1.00 0.00 C ATOM 259 OG1 THR A 20 -10.199 -18.127 -7.369 1.00 0.00 O ATOM 260 CG2 THR A 20 -11.693 -16.367 -8.036 1.00 0.00 C ATOM 0 H THR A 20 -9.147 -15.828 -8.673 1.00 0.00 H new ATOM 0 HA THR A 20 -10.111 -15.062 -6.057 1.00 0.00 H new ATOM 0 HB THR A 20 -11.263 -16.995 -6.033 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.824 -18.589 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.444 -17.133 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.184 -15.460 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.148 -16.151 -8.955 1.00 0.00 H new ATOM 268 N ALA A 21 -8.828 -16.751 -4.505 1.00 0.00 N ATOM 269 CA ALA A 21 -7.978 -17.574 -3.671 1.00 0.00 C ATOM 270 C ALA A 21 -7.957 -19.006 -4.224 1.00 0.00 C ATOM 271 O ALA A 21 -8.697 -19.350 -5.157 1.00 0.00 O ATOM 272 CB ALA A 21 -8.489 -17.499 -2.229 1.00 0.00 C ATOM 0 H ALA A 21 -9.678 -16.426 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.948 -17.216 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.859 -18.114 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.457 -16.465 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.515 -17.864 -2.187 1.00 0.00 H new ATOM 278 N LYS A 22 -7.058 -19.826 -3.667 1.00 0.00 N ATOM 279 CA LYS A 22 -6.936 -21.259 -3.934 1.00 0.00 C ATOM 280 C LYS A 22 -6.605 -21.954 -2.622 1.00 0.00 C ATOM 281 O LYS A 22 -7.410 -22.757 -2.163 1.00 0.00 O ATOM 282 CB LYS A 22 -5.907 -21.622 -5.030 1.00 0.00 C ATOM 283 CG LYS A 22 -6.332 -21.232 -6.454 1.00 0.00 C ATOM 284 CD LYS A 22 -5.906 -19.828 -6.893 1.00 0.00 C ATOM 285 CE LYS A 22 -6.831 -19.325 -8.005 1.00 0.00 C ATOM 286 NZ LYS A 22 -6.644 -20.062 -9.270 1.00 0.00 N ATOM 0 H LYS A 22 -6.370 -19.494 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.890 -21.603 -4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.961 -21.132 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.726 -22.696 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.916 -21.957 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.417 -21.306 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.941 -19.146 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.875 -19.845 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.868 -19.420 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.646 -18.264 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.292 -19.685 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.662 -19.951 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.846 -21.071 -9.117 1.00 0.00 H new ATOM 300 N LYS A 23 -5.445 -21.648 -2.023 1.00 0.00 N ATOM 301 CA LYS A 23 -5.040 -22.181 -0.722 1.00 0.00 C ATOM 302 C LYS A 23 -6.027 -21.780 0.370 1.00 0.00 C ATOM 303 O LYS A 23 -6.901 -20.937 0.178 1.00 0.00 O ATOM 304 CB LYS A 23 -3.625 -21.696 -0.354 1.00 0.00 C ATOM 305 CG LYS A 23 -2.468 -22.453 -1.020 1.00 0.00 C ATOM 306 CD LYS A 23 -2.124 -23.754 -0.276 1.00 0.00 C ATOM 307 CE LYS A 23 -0.938 -24.471 -0.936 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.457 -25.607 -0.121 1.00 0.00 N ATOM 0 H LYS A 23 -4.758 -21.017 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.034 -23.268 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.543 -20.641 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.506 -21.766 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.733 -22.685 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.587 -21.812 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.885 -23.530 0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.992 -24.413 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.234 -24.831 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.124 -23.762 -1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.344 -26.064 -0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.150 -25.261 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.226 -26.296 0.002 1.00 0.00 H new ATOM 322 N ASP A 24 -5.834 -22.385 1.534 1.00 0.00 N ATOM 323 CA ASP A 24 -6.394 -22.030 2.829 1.00 0.00 C ATOM 324 C ASP A 24 -6.135 -20.560 3.137 1.00 0.00 C ATOM 325 O ASP A 24 -7.058 -19.786 3.381 1.00 0.00 O ATOM 326 CB ASP A 24 -5.776 -22.956 3.904 1.00 0.00 C ATOM 327 CG ASP A 24 -4.253 -22.818 4.095 1.00 0.00 C ATOM 328 OD1 ASP A 24 -3.532 -22.583 3.096 1.00 0.00 O ATOM 329 OD2 ASP A 24 -3.749 -22.884 5.238 1.00 0.00 O ATOM 0 H ASP A 24 -5.231 -23.205 1.601 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.475 -22.168 2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.265 -22.755 4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.001 -23.990 3.642 1.00 0.00 H new ATOM 334 N ASN A 25 -4.874 -20.160 3.090 1.00 0.00 N ATOM 335 CA ASN A 25 -4.406 -18.801 3.187 1.00 0.00 C ATOM 336 C ASN A 25 -3.935 -18.467 1.777 1.00 0.00 C ATOM 337 O ASN A 25 -2.778 -18.704 1.421 1.00 0.00 O ATOM 338 CB ASN A 25 -3.336 -18.691 4.290 1.00 0.00 C ATOM 339 CG ASN A 25 -2.716 -17.304 4.391 1.00 0.00 C ATOM 340 OD1 ASN A 25 -2.820 -16.500 3.472 1.00 0.00 O ATOM 341 ND2 ASN A 25 -1.999 -17.021 5.463 1.00 0.00 N ATOM 0 H ASN A 25 -4.108 -20.824 2.976 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.160 -18.076 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.784 -18.952 5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.549 -19.420 4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.522 -16.122 5.535 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.922 -17.701 6.219 1.00 0.00 H new ATOM 348 N HIS A 26 -4.879 -18.025 0.948 1.00 0.00 N ATOM 349 CA HIS A 26 -4.661 -17.130 -0.186 1.00 0.00 C ATOM 350 C HIS A 26 -5.659 -15.975 -0.044 1.00 0.00 C ATOM 351 O HIS A 26 -6.731 -16.153 0.536 1.00 0.00 O ATOM 352 CB HIS A 26 -4.914 -17.832 -1.533 1.00 0.00 C ATOM 353 CG HIS A 26 -3.775 -18.564 -2.203 1.00 0.00 C ATOM 354 ND1 HIS A 26 -3.880 -19.197 -3.424 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.471 -18.673 -1.793 1.00 0.00 C ATOM 356 CE1 HIS A 26 -2.675 -19.699 -3.734 1.00 0.00 C ATOM 357 NE2 HIS A 26 -1.793 -19.429 -2.759 1.00 0.00 N ATOM 0 H HIS A 26 -5.858 -18.292 1.053 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.625 -16.792 -0.180 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.723 -18.548 -1.384 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.279 -17.080 -2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.046 -18.254 -0.893 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.447 -20.243 -4.639 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.816 -19.719 -2.727 1.00 0.00 H new ATOM 365 N LEU A 27 -5.326 -14.804 -0.585 1.00 0.00 N ATOM 366 CA LEU A 27 -6.227 -13.662 -0.749 1.00 0.00 C ATOM 367 C LEU A 27 -7.042 -13.885 -2.032 1.00 0.00 C ATOM 368 O LEU A 27 -6.640 -14.678 -2.885 1.00 0.00 O ATOM 369 CB LEU A 27 -5.352 -12.391 -0.819 1.00 0.00 C ATOM 370 CG LEU A 27 -5.976 -10.995 -0.623 1.00 0.00 C ATOM 371 CD1 LEU A 27 -6.640 -10.475 -1.886 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.933 -10.938 0.564 1.00 0.00 C ATOM 0 H LEU A 27 -4.386 -14.617 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.928 -13.552 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.568 -12.500 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.864 -12.390 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.143 -10.331 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.064 -9.489 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.900 -10.404 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.434 -11.159 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.342 -9.932 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.746 -11.648 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.396 -11.194 1.477 1.00 0.00 H new ATOM 384 N ASN A 28 -8.159 -13.178 -2.203 1.00 0.00 N ATOM 385 CA ASN A 28 -8.948 -13.133 -3.434 1.00 0.00 C ATOM 386 C ASN A 28 -9.246 -11.670 -3.731 1.00 0.00 C ATOM 387 O ASN A 28 -9.745 -10.997 -2.837 1.00 0.00 O ATOM 388 CB ASN A 28 -10.254 -13.945 -3.302 1.00 0.00 C ATOM 389 CG ASN A 28 -11.274 -13.404 -2.302 1.00 0.00 C ATOM 390 OD1 ASN A 28 -12.304 -12.842 -2.672 1.00 0.00 O ATOM 391 ND2 ASN A 28 -11.073 -13.658 -1.023 1.00 0.00 N ATOM 0 H ASN A 28 -8.554 -12.600 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.387 -13.585 -4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.727 -13.998 -4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.998 -14.965 -3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.774 -13.388 -0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.216 -14.124 -0.724 1.00 0.00 H new ATOM 398 N PHE A 29 -8.942 -11.167 -4.929 1.00 0.00 N ATOM 399 CA PHE A 29 -9.233 -9.787 -5.329 1.00 0.00 C ATOM 400 C PHE A 29 -9.785 -9.725 -6.745 1.00 0.00 C ATOM 401 O PHE A 29 -9.772 -10.708 -7.490 1.00 0.00 O ATOM 402 CB PHE A 29 -8.005 -8.860 -5.210 1.00 0.00 C ATOM 403 CG PHE A 29 -6.692 -9.347 -5.817 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.571 -9.645 -7.190 1.00 0.00 C ATOM 405 CD2 PHE A 29 -5.553 -9.460 -5.000 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.347 -10.100 -7.713 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.335 -9.926 -5.511 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.232 -10.262 -6.871 1.00 0.00 C ATOM 0 H PHE A 29 -8.481 -11.712 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.990 -9.427 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.257 -7.907 -5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.834 -8.663 -4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.422 -9.523 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.619 -9.182 -3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.263 -10.326 -8.766 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.478 -10.027 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.302 -10.642 -7.268 1.00 0.00 H new ATOM 418 N SER A 30 -10.176 -8.515 -7.129 1.00 0.00 N ATOM 419 CA SER A 30 -10.644 -8.155 -8.439 1.00 0.00 C ATOM 420 C SER A 30 -9.766 -7.060 -9.066 1.00 0.00 C ATOM 421 O SER A 30 -8.864 -6.488 -8.449 1.00 0.00 O ATOM 422 CB SER A 30 -12.104 -7.760 -8.310 1.00 0.00 C ATOM 423 OG SER A 30 -12.931 -8.861 -8.634 1.00 0.00 O ATOM 0 H SER A 30 -10.170 -7.721 -6.488 1.00 0.00 H new ATOM 0 HA SER A 30 -10.568 -8.998 -9.126 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.311 -7.425 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.323 -6.922 -8.972 1.00 0.00 H new ATOM 0 HG SER A 30 -13.872 -8.600 -8.547 1.00 0.00 H new ATOM 429 N LYS A 31 -9.992 -6.812 -10.358 1.00 0.00 N ATOM 430 CA LYS A 31 -9.212 -5.891 -11.173 1.00 0.00 C ATOM 431 C LYS A 31 -9.483 -4.449 -10.740 1.00 0.00 C ATOM 432 O LYS A 31 -10.526 -3.901 -11.100 1.00 0.00 O ATOM 433 CB LYS A 31 -9.532 -6.149 -12.645 1.00 0.00 C ATOM 434 CG LYS A 31 -8.546 -5.342 -13.481 1.00 0.00 C ATOM 435 CD LYS A 31 -8.833 -5.422 -14.972 1.00 0.00 C ATOM 436 CE LYS A 31 -7.738 -4.568 -15.596 1.00 0.00 C ATOM 437 NZ LYS A 31 -8.119 -4.073 -16.931 1.00 0.00 N ATOM 0 H LYS A 31 -10.746 -7.262 -10.877 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.143 -6.055 -11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.448 -7.211 -12.874 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.557 -5.854 -12.871 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.577 -4.299 -13.165 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.535 -5.702 -13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.794 -6.450 -15.333 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.825 -5.038 -15.210 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.522 -3.722 -14.944 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.822 -5.153 -15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.346 -3.496 -17.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.301 -4.880 -17.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.979 -3.493 -16.854 1.00 0.00 H new ATOM 451 N HIS A 32 -8.490 -3.856 -10.071 1.00 0.00 N ATOM 452 CA HIS A 32 -8.313 -2.489 -9.583 1.00 0.00 C ATOM 453 C HIS A 32 -8.655 -2.362 -8.099 1.00 0.00 C ATOM 454 O HIS A 32 -8.646 -1.244 -7.583 1.00 0.00 O ATOM 455 CB HIS A 32 -9.023 -1.416 -10.413 1.00 0.00 C ATOM 456 CG HIS A 32 -8.683 -1.447 -11.875 1.00 0.00 C ATOM 457 ND1 HIS A 32 -7.449 -1.334 -12.474 1.00 0.00 N ATOM 458 CD2 HIS A 32 -9.608 -1.580 -12.856 1.00 0.00 C ATOM 459 CE1 HIS A 32 -7.636 -1.403 -13.803 1.00 0.00 C ATOM 460 NE2 HIS A 32 -8.941 -1.568 -14.085 1.00 0.00 N ATOM 0 H HIS A 32 -7.671 -4.411 -9.824 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.249 -2.290 -9.708 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.100 -1.537 -10.299 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.769 -0.435 -10.013 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.674 -1.678 -12.714 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.850 -1.336 -14.540 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.360 -1.665 -15.010 1.00 0.00 H new ATOM 468 N ASP A 33 -8.917 -3.467 -7.403 1.00 0.00 N ATOM 469 CA ASP A 33 -9.167 -3.449 -5.968 1.00 0.00 C ATOM 470 C ASP A 33 -7.881 -3.069 -5.246 1.00 0.00 C ATOM 471 O ASP A 33 -6.801 -3.557 -5.589 1.00 0.00 O ATOM 472 CB ASP A 33 -9.679 -4.814 -5.484 1.00 0.00 C ATOM 473 CG ASP A 33 -11.122 -5.028 -5.925 1.00 0.00 C ATOM 474 OD1 ASP A 33 -11.363 -5.121 -7.145 1.00 0.00 O ATOM 475 OD2 ASP A 33 -12.035 -4.988 -5.067 1.00 0.00 O ATOM 0 H ASP A 33 -8.961 -4.397 -7.820 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.939 -2.712 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.049 -5.608 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.612 -4.870 -4.397 1.00 0.00 H new ATOM 480 N ILE A 34 -7.980 -2.183 -4.258 1.00 0.00 N ATOM 481 CA ILE A 34 -6.898 -1.864 -3.340 1.00 0.00 C ATOM 482 C ILE A 34 -6.859 -2.931 -2.270 1.00 0.00 C ATOM 483 O ILE A 34 -7.868 -3.215 -1.627 1.00 0.00 O ATOM 484 CB ILE A 34 -7.124 -0.454 -2.731 1.00 0.00 C ATOM 485 CG1 ILE A 34 -6.829 0.641 -3.778 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.351 -0.188 -1.419 1.00 0.00 C ATOM 487 CD1 ILE A 34 -5.335 0.897 -4.017 1.00 0.00 C ATOM 0 H ILE A 34 -8.834 -1.658 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.940 -1.845 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.177 -0.420 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.293 0.359 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.299 1.571 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.569 0.820 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.657 -0.911 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.281 -0.285 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.215 1.680 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.866 1.212 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.861 -0.019 -4.370 1.00 0.00 H new ATOM 499 N ILE A 35 -5.675 -3.486 -2.035 1.00 0.00 N ATOM 500 CA ILE A 35 -5.463 -4.460 -0.987 1.00 0.00 C ATOM 501 C ILE A 35 -4.432 -3.841 -0.057 1.00 0.00 C ATOM 502 O ILE A 35 -3.404 -3.313 -0.493 1.00 0.00 O ATOM 503 CB ILE A 35 -5.082 -5.821 -1.597 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.052 -6.235 -2.724 1.00 0.00 C ATOM 505 CG2 ILE A 35 -4.913 -6.935 -0.551 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.436 -6.135 -4.114 1.00 0.00 C ATOM 0 H ILE A 35 -4.836 -3.267 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.356 -4.685 -0.404 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.097 -5.681 -2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.381 -7.260 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.939 -5.604 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.645 -7.866 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.125 -6.659 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.849 -7.071 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.170 -6.440 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.132 -5.106 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.565 -6.788 -4.174 1.00 0.00 H new ATOM 518 N THR A 36 -4.772 -3.862 1.225 1.00 0.00 N ATOM 519 CA THR A 36 -3.958 -3.399 2.325 1.00 0.00 C ATOM 520 C THR A 36 -2.823 -4.402 2.444 1.00 0.00 C ATOM 521 O THR A 36 -3.078 -5.556 2.779 1.00 0.00 O ATOM 522 CB THR A 36 -4.867 -3.353 3.557 1.00 0.00 C ATOM 523 OG1 THR A 36 -5.937 -2.452 3.319 1.00 0.00 O ATOM 524 CG2 THR A 36 -4.134 -2.935 4.833 1.00 0.00 C ATOM 0 H THR A 36 -5.674 -4.224 1.535 1.00 0.00 H new ATOM 0 HA THR A 36 -3.529 -2.405 2.198 1.00 0.00 H new ATOM 0 HB THR A 36 -5.235 -4.367 3.716 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.521 -2.422 4.106 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.835 -2.923 5.668 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.333 -3.645 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.711 -1.939 4.700 1.00 0.00 H new ATOM 532 N VAL A 37 -1.608 -4.021 2.076 1.00 0.00 N ATOM 533 CA VAL A 37 -0.426 -4.867 2.145 1.00 0.00 C ATOM 534 C VAL A 37 0.030 -4.939 3.595 1.00 0.00 C ATOM 535 O VAL A 37 0.101 -3.923 4.291 1.00 0.00 O ATOM 536 CB VAL A 37 0.700 -4.314 1.261 1.00 0.00 C ATOM 537 CG1 VAL A 37 1.936 -5.229 1.285 1.00 0.00 C ATOM 538 CG2 VAL A 37 0.222 -4.200 -0.198 1.00 0.00 C ATOM 0 H VAL A 37 -1.412 -3.089 1.711 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.672 -5.863 1.778 1.00 0.00 H new ATOM 0 HB VAL A 37 0.967 -3.334 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.714 -4.807 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.308 -5.311 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.663 -6.218 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.029 -3.807 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.068 -5.185 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.634 -3.528 -0.249 1.00 0.00 H new ATOM 548 N LEU A 38 0.384 -6.141 4.042 1.00 0.00 N ATOM 549 CA LEU A 38 0.687 -6.388 5.439 1.00 0.00 C ATOM 550 C LEU A 38 1.996 -7.143 5.632 1.00 0.00 C ATOM 551 O LEU A 38 2.593 -7.017 6.697 1.00 0.00 O ATOM 552 CB LEU A 38 -0.455 -7.181 6.080 1.00 0.00 C ATOM 553 CG LEU A 38 -1.832 -6.492 6.063 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.857 -7.560 6.451 1.00 0.00 C ATOM 555 CD2 LEU A 38 -1.911 -5.252 6.969 1.00 0.00 C ATOM 0 H LEU A 38 0.467 -6.964 3.445 1.00 0.00 H new ATOM 0 HA LEU A 38 0.797 -5.416 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.541 -8.139 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.189 -7.396 7.115 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.034 -6.097 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.855 -7.122 6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.822 -8.377 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.625 -7.943 7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.909 -4.819 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.704 -5.541 8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.175 -4.516 6.644 1.00 0.00 H new ATOM 567 N GLU A 39 2.468 -7.921 4.658 1.00 0.00 N ATOM 568 CA GLU A 39 3.718 -8.674 4.764 1.00 0.00 C ATOM 569 C GLU A 39 4.259 -8.875 3.350 1.00 0.00 C ATOM 570 O GLU A 39 3.463 -8.885 2.407 1.00 0.00 O ATOM 571 CB GLU A 39 3.430 -10.035 5.418 1.00 0.00 C ATOM 572 CG GLU A 39 4.655 -10.671 6.071 1.00 0.00 C ATOM 573 CD GLU A 39 5.126 -9.964 7.342 1.00 0.00 C ATOM 574 OE1 GLU A 39 4.298 -9.460 8.129 1.00 0.00 O ATOM 575 OE2 GLU A 39 6.363 -9.901 7.537 1.00 0.00 O ATOM 0 H GLU A 39 1.990 -8.047 3.766 1.00 0.00 H new ATOM 0 HA GLU A 39 4.448 -8.140 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.652 -9.910 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.037 -10.716 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.427 -11.710 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.473 -10.681 5.350 1.00 0.00 H new ATOM 582 N GLN A 40 5.575 -9.052 3.175 1.00 0.00 N ATOM 583 CA GLN A 40 6.178 -9.102 1.847 1.00 0.00 C ATOM 584 C GLN A 40 7.266 -10.188 1.775 1.00 0.00 C ATOM 585 O GLN A 40 8.390 -9.975 2.232 1.00 0.00 O ATOM 586 CB GLN A 40 6.711 -7.699 1.480 1.00 0.00 C ATOM 587 CG GLN A 40 5.635 -6.590 1.481 1.00 0.00 C ATOM 588 CD GLN A 40 6.198 -5.250 1.013 1.00 0.00 C ATOM 589 OE1 GLN A 40 6.623 -4.414 1.808 1.00 0.00 O ATOM 590 NE2 GLN A 40 6.227 -5.014 -0.287 1.00 0.00 N ATOM 0 H GLN A 40 6.239 -9.163 3.941 1.00 0.00 H new ATOM 0 HA GLN A 40 5.425 -9.381 1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.498 -7.426 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.169 -7.744 0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.810 -6.884 0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.227 -6.481 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.873 -5.713 -0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.604 -4.133 -0.637 1.00 0.00 H new ATOM 599 N GLN A 41 6.942 -11.342 1.180 1.00 0.00 N ATOM 600 CA GLN A 41 7.895 -12.386 0.799 1.00 0.00 C ATOM 601 C GLN A 41 8.483 -12.054 -0.578 1.00 0.00 C ATOM 602 O GLN A 41 8.145 -11.039 -1.193 1.00 0.00 O ATOM 603 CB GLN A 41 7.222 -13.784 0.772 1.00 0.00 C ATOM 604 CG GLN A 41 6.637 -14.229 2.116 1.00 0.00 C ATOM 605 CD GLN A 41 7.699 -14.615 3.145 1.00 0.00 C ATOM 606 OE1 GLN A 41 8.895 -14.639 2.857 1.00 0.00 O ATOM 607 NE2 GLN A 41 7.308 -14.865 4.383 1.00 0.00 N ATOM 0 H GLN A 41 5.979 -11.580 0.944 1.00 0.00 H new ATOM 0 HA GLN A 41 8.691 -12.419 1.543 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.426 -13.777 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.956 -14.521 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.025 -13.423 2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.976 -15.080 1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.316 -14.844 4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.999 -15.079 5.103 1.00 0.00 H new ATOM 616 N GLU A 42 9.331 -12.955 -1.079 1.00 0.00 N ATOM 617 CA GLU A 42 10.082 -12.868 -2.327 1.00 0.00 C ATOM 618 C GLU A 42 9.217 -12.419 -3.517 1.00 0.00 C ATOM 619 O GLU A 42 9.609 -11.565 -4.316 1.00 0.00 O ATOM 620 CB GLU A 42 10.771 -14.228 -2.561 1.00 0.00 C ATOM 621 CG GLU A 42 9.787 -15.339 -2.973 1.00 0.00 C ATOM 622 CD GLU A 42 10.231 -16.750 -2.584 1.00 0.00 C ATOM 623 OE1 GLU A 42 10.242 -17.082 -1.382 1.00 0.00 O ATOM 624 OE2 GLU A 42 10.422 -17.587 -3.503 1.00 0.00 O ATOM 0 H GLU A 42 9.522 -13.827 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 42 10.839 -12.088 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.529 -14.116 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.288 -14.528 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.818 -15.137 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.645 -15.300 -4.053 1.00 0.00 H new ATOM 631 N ASN A 43 8.024 -12.999 -3.645 1.00 0.00 N ATOM 632 CA ASN A 43 7.088 -12.734 -4.730 1.00 0.00 C ATOM 633 C ASN A 43 5.639 -12.838 -4.282 1.00 0.00 C ATOM 634 O ASN A 43 4.748 -12.607 -5.092 1.00 0.00 O ATOM 635 CB ASN A 43 7.355 -13.669 -5.922 1.00 0.00 C ATOM 636 CG ASN A 43 7.730 -12.845 -7.142 1.00 0.00 C ATOM 637 OD1 ASN A 43 7.011 -12.795 -8.131 1.00 0.00 O ATOM 638 ND2 ASN A 43 8.863 -12.171 -7.098 1.00 0.00 N ATOM 0 H ASN A 43 7.675 -13.685 -2.976 1.00 0.00 H new ATOM 0 HA ASN A 43 7.253 -11.704 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.159 -14.364 -5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.469 -14.268 -6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.148 -11.600 -7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.454 -12.221 -6.268 1.00 0.00 H new ATOM 645 N TRP A 44 5.390 -13.164 -3.015 1.00 0.00 N ATOM 646 CA TRP A 44 4.059 -13.293 -2.457 1.00 0.00 C ATOM 647 C TRP A 44 3.929 -12.253 -1.369 1.00 0.00 C ATOM 648 O TRP A 44 4.826 -12.178 -0.538 1.00 0.00 O ATOM 649 CB TRP A 44 3.859 -14.703 -1.901 1.00 0.00 C ATOM 650 CG TRP A 44 3.642 -15.721 -2.983 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.576 -16.269 -3.797 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.365 -16.235 -3.454 1.00 0.00 C ATOM 653 NE1 TRP A 44 3.951 -17.054 -4.752 1.00 0.00 N ATOM 654 CE2 TRP A 44 2.580 -17.014 -4.623 1.00 0.00 C ATOM 655 CE3 TRP A 44 1.036 -16.085 -3.021 1.00 0.00 C ATOM 656 CZ2 TRP A 44 1.515 -17.549 -5.366 1.00 0.00 C ATOM 657 CZ3 TRP A 44 -0.037 -16.641 -3.732 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.196 -17.343 -4.929 1.00 0.00 C ATOM 0 H TRP A 44 6.130 -13.349 -2.338 1.00 0.00 H new ATOM 0 HA TRP A 44 3.295 -13.135 -3.218 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.731 -14.985 -1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.003 -14.706 -1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.642 -16.117 -3.714 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.445 -17.594 -5.462 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.836 -15.527 -2.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.709 -18.114 -6.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.045 -16.530 -3.360 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.634 -17.721 -5.508 1.00 0.00 H new ATOM 669 N TRP A 45 2.866 -11.457 -1.346 1.00 0.00 N ATOM 670 CA TRP A 45 2.614 -10.485 -0.287 1.00 0.00 C ATOM 671 C TRP A 45 1.370 -10.935 0.451 1.00 0.00 C ATOM 672 O TRP A 45 0.508 -11.585 -0.135 1.00 0.00 O ATOM 673 CB TRP A 45 2.498 -9.069 -0.870 1.00 0.00 C ATOM 674 CG TRP A 45 3.762 -8.501 -1.451 1.00 0.00 C ATOM 675 CD1 TRP A 45 4.976 -9.089 -1.401 1.00 0.00 C ATOM 676 CD2 TRP A 45 3.974 -7.244 -2.163 1.00 0.00 C ATOM 677 NE1 TRP A 45 5.912 -8.319 -2.040 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.347 -7.175 -2.546 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.153 -6.167 -2.551 1.00 0.00 C ATOM 680 CZ2 TRP A 45 5.873 -6.124 -3.308 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.675 -5.086 -3.289 1.00 0.00 C ATOM 682 CH2 TRP A 45 5.031 -5.062 -3.671 1.00 0.00 C ATOM 0 H TRP A 45 2.147 -11.468 -2.069 1.00 0.00 H new ATOM 0 HA TRP A 45 3.442 -10.438 0.420 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.734 -9.077 -1.647 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.147 -8.400 -0.085 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.181 -10.036 -0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.898 -8.564 -2.128 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.108 -6.170 -2.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.910 -6.131 -3.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.028 -4.266 -3.565 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.420 -4.231 -4.240 1.00 0.00 H new ATOM 693 N PHE A 46 1.303 -10.660 1.747 1.00 0.00 N ATOM 694 CA PHE A 46 0.095 -10.869 2.520 1.00 0.00 C ATOM 695 C PHE A 46 -0.644 -9.550 2.481 1.00 0.00 C ATOM 696 O PHE A 46 -0.017 -8.481 2.491 1.00 0.00 O ATOM 697 CB PHE A 46 0.454 -11.234 3.960 1.00 0.00 C ATOM 698 CG PHE A 46 -0.662 -11.716 4.865 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.309 -12.934 4.588 1.00 0.00 C ATOM 700 CD2 PHE A 46 -0.934 -11.046 6.075 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.243 -13.461 5.497 1.00 0.00 C ATOM 702 CE2 PHE A 46 -1.853 -11.583 6.993 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.506 -12.793 6.703 1.00 0.00 C ATOM 0 H PHE A 46 2.084 -10.287 2.287 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.511 -11.682 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.219 -12.010 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.908 -10.358 4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.088 -13.466 3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.434 -10.115 6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.759 -14.381 5.267 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.057 -11.067 7.919 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.210 -13.209 7.408 1.00 0.00 H new ATOM 713 N GLY A 47 -1.965 -9.599 2.486 1.00 0.00 N ATOM 714 CA GLY A 47 -2.740 -8.391 2.592 1.00 0.00 C ATOM 715 C GLY A 47 -4.198 -8.701 2.810 1.00 0.00 C ATOM 716 O GLY A 47 -4.584 -9.868 2.877 1.00 0.00 O ATOM 0 H GLY A 47 -2.512 -10.457 2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.366 -7.786 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.622 -7.799 1.685 1.00 0.00 H new ATOM 720 N GLU A 48 -4.987 -7.644 2.944 1.00 0.00 N ATOM 721 CA GLU A 48 -6.370 -7.678 3.361 1.00 0.00 C ATOM 722 C GLU A 48 -7.200 -6.828 2.409 1.00 0.00 C ATOM 723 O GLU A 48 -6.863 -5.672 2.144 1.00 0.00 O ATOM 724 CB GLU A 48 -6.447 -7.179 4.815 1.00 0.00 C ATOM 725 CG GLU A 48 -7.889 -7.186 5.326 1.00 0.00 C ATOM 726 CD GLU A 48 -8.078 -7.059 6.847 1.00 0.00 C ATOM 727 OE1 GLU A 48 -7.112 -7.191 7.631 1.00 0.00 O ATOM 728 OE2 GLU A 48 -9.246 -6.929 7.278 1.00 0.00 O ATOM 0 H GLU A 48 -4.658 -6.697 2.754 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.774 -8.690 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.829 -7.811 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.041 -6.169 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.425 -6.367 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.362 -8.112 4.999 1.00 0.00 H new ATOM 735 N VAL A 49 -8.254 -7.428 1.860 1.00 0.00 N ATOM 736 CA VAL A 49 -9.284 -6.750 1.079 1.00 0.00 C ATOM 737 C VAL A 49 -10.600 -7.489 1.276 1.00 0.00 C ATOM 738 O VAL A 49 -10.587 -8.643 1.723 1.00 0.00 O ATOM 739 CB VAL A 49 -8.837 -6.558 -0.387 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.679 -7.872 -1.142 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.707 -5.617 -1.217 1.00 0.00 C ATOM 0 H VAL A 49 -8.419 -8.431 1.950 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.445 -5.731 1.430 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.864 -6.081 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.363 -7.668 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.929 -8.488 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.632 -8.401 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.308 -5.551 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.727 -6.001 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.708 -4.626 -0.762 1.00 0.00 H new ATOM 751 N HIS A 50 -11.721 -6.793 1.053 1.00 0.00 N ATOM 752 CA HIS A 50 -13.102 -7.237 1.252 1.00 0.00 C ATOM 753 C HIS A 50 -13.412 -7.275 2.748 1.00 0.00 C ATOM 754 O HIS A 50 -14.277 -6.556 3.240 1.00 0.00 O ATOM 755 CB HIS A 50 -13.395 -8.601 0.581 1.00 0.00 C ATOM 756 CG HIS A 50 -12.949 -8.750 -0.855 1.00 0.00 C ATOM 757 ND1 HIS A 50 -12.829 -7.751 -1.780 1.00 0.00 N flip ATOM 758 CD2 HIS A 50 -12.581 -9.925 -1.476 1.00 0.00 C flip ATOM 759 CE1 HIS A 50 -12.402 -8.320 -2.981 1.00 0.00 C flip ATOM 760 NE2 HIS A 50 -12.259 -9.630 -2.745 1.00 0.00 N flip ATOM 0 H HIS A 50 -11.682 -5.836 0.703 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.759 -6.518 0.763 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.916 -9.382 1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.469 -8.781 0.626 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.556 -10.905 -1.023 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.223 -7.806 -3.914 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.947 -10.312 -3.436 1.00 0.00 H new ATOM 768 N GLY A 51 -12.644 -8.067 3.483 1.00 0.00 N ATOM 769 CA GLY A 51 -12.897 -8.495 4.845 1.00 0.00 C ATOM 770 C GLY A 51 -12.227 -9.841 5.106 1.00 0.00 C ATOM 771 O GLY A 51 -12.746 -10.645 5.886 1.00 0.00 O ATOM 0 H GLY A 51 -11.773 -8.450 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.518 -7.750 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.971 -8.576 5.015 1.00 0.00 H new ATOM 775 N GLY A 52 -11.120 -10.159 4.428 1.00 0.00 N ATOM 776 CA GLY A 52 -10.414 -11.399 4.677 1.00 0.00 C ATOM 777 C GLY A 52 -9.036 -11.376 4.060 1.00 0.00 C ATOM 778 O GLY A 52 -8.900 -11.218 2.851 1.00 0.00 O ATOM 0 H GLY A 52 -10.702 -9.571 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.332 -11.564 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.984 -12.234 4.269 1.00 0.00 H new ATOM 782 N ARG A 53 -8.026 -11.526 4.909 1.00 0.00 N ATOM 783 CA ARG A 53 -6.624 -11.608 4.534 1.00 0.00 C ATOM 784 C ARG A 53 -6.299 -12.843 3.707 1.00 0.00 C ATOM 785 O ARG A 53 -7.066 -13.809 3.672 1.00 0.00 O ATOM 786 CB ARG A 53 -5.753 -11.608 5.800 1.00 0.00 C ATOM 787 CG ARG A 53 -5.573 -10.206 6.348 1.00 0.00 C ATOM 788 CD ARG A 53 -5.122 -10.181 7.809 1.00 0.00 C ATOM 789 NE ARG A 53 -6.177 -9.553 8.611 1.00 0.00 N ATOM 790 CZ ARG A 53 -7.200 -10.163 9.212 1.00 0.00 C ATOM 791 NH1 ARG A 53 -7.100 -11.431 9.590 1.00 0.00 N ATOM 792 NH2 ARG A 53 -8.320 -9.476 9.403 1.00 0.00 N ATOM 0 H ARG A 53 -8.170 -11.596 5.916 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.412 -10.737 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.212 -12.241 6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.778 -12.039 5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.840 -9.677 5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.514 -9.664 6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.929 -11.194 8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.189 -9.625 7.908 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.123 -8.540 8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.236 -11.947 9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.887 -11.890 10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.383 -8.506 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.118 -9.918 9.860 1.00 0.00 H new ATOM 806 N GLY A 54 -5.107 -12.814 3.115 1.00 0.00 N ATOM 807 CA GLY A 54 -4.390 -13.980 2.661 1.00 0.00 C ATOM 808 C GLY A 54 -3.129 -13.583 1.893 1.00 0.00 C ATOM 809 O GLY A 54 -2.869 -12.397 1.668 1.00 0.00 O ATOM 0 H GLY A 54 -4.606 -11.944 2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.120 -14.601 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.035 -14.582 2.021 1.00 0.00 H new ATOM 813 N TRP A 55 -2.335 -14.571 1.482 1.00 0.00 N ATOM 814 CA TRP A 55 -1.179 -14.388 0.610 1.00 0.00 C ATOM 815 C TRP A 55 -1.616 -14.231 -0.843 1.00 0.00 C ATOM 816 O TRP A 55 -2.580 -14.872 -1.270 1.00 0.00 O ATOM 817 CB TRP A 55 -0.241 -15.591 0.746 1.00 0.00 C ATOM 818 CG TRP A 55 0.550 -15.579 2.008 1.00 0.00 C ATOM 819 CD1 TRP A 55 0.311 -16.319 3.109 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.682 -14.727 2.337 1.00 0.00 C ATOM 821 NE1 TRP A 55 1.155 -15.921 4.122 1.00 0.00 N ATOM 822 CE2 TRP A 55 2.039 -14.956 3.697 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.442 -13.772 1.634 1.00 0.00 C ATOM 824 CZ2 TRP A 55 3.077 -14.257 4.330 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.444 -13.050 2.262 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.769 -13.269 3.613 1.00 0.00 C ATOM 0 H TRP A 55 -2.483 -15.543 1.753 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.655 -13.480 0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.828 -16.508 0.702 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.442 -15.609 -0.103 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.428 -17.103 3.185 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.128 -16.295 5.070 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.240 -13.600 0.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.340 -14.476 5.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.987 -12.303 1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.541 -12.685 4.092 1.00 0.00 H new ATOM 837 N PHE A 56 -0.871 -13.460 -1.635 1.00 0.00 N ATOM 838 CA PHE A 56 -1.157 -13.313 -3.065 1.00 0.00 C ATOM 839 C PHE A 56 0.121 -13.110 -3.872 1.00 0.00 C ATOM 840 O PHE A 56 1.095 -12.595 -3.322 1.00 0.00 O ATOM 841 CB PHE A 56 -2.132 -12.155 -3.307 1.00 0.00 C ATOM 842 CG PHE A 56 -1.685 -10.796 -2.813 1.00 0.00 C ATOM 843 CD1 PHE A 56 -0.921 -9.962 -3.650 1.00 0.00 C ATOM 844 CD2 PHE A 56 -2.057 -10.352 -1.531 1.00 0.00 C ATOM 845 CE1 PHE A 56 -0.534 -8.688 -3.204 1.00 0.00 C ATOM 846 CE2 PHE A 56 -1.676 -9.072 -1.096 1.00 0.00 C ATOM 847 CZ PHE A 56 -0.917 -8.238 -1.931 1.00 0.00 C ATOM 0 H PHE A 56 -0.064 -12.927 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.623 -14.238 -3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.323 -12.085 -4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.081 -12.399 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.633 -10.301 -4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.634 -10.994 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.061 -8.052 -3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.968 -8.728 -0.115 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.628 -7.253 -1.595 1.00 0.00 H new ATOM 857 N PRO A 57 0.137 -13.487 -5.163 1.00 0.00 N ATOM 858 CA PRO A 57 1.270 -13.251 -6.040 1.00 0.00 C ATOM 859 C PRO A 57 1.407 -11.752 -6.289 1.00 0.00 C ATOM 860 O PRO A 57 0.539 -11.136 -6.911 1.00 0.00 O ATOM 861 CB PRO A 57 0.983 -14.024 -7.328 1.00 0.00 C ATOM 862 CG PRO A 57 -0.518 -14.302 -7.321 1.00 0.00 C ATOM 863 CD PRO A 57 -0.954 -14.139 -5.877 1.00 0.00 C ATOM 0 HA PRO A 57 2.213 -13.589 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.269 -13.443 -8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.552 -14.953 -7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.049 -13.607 -7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.733 -15.307 -7.685 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.864 -13.542 -5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.179 -15.108 -5.432 1.00 0.00 H new ATOM 871 N LYS A 58 2.495 -11.144 -5.812 1.00 0.00 N ATOM 872 CA LYS A 58 2.697 -9.703 -5.915 1.00 0.00 C ATOM 873 C LYS A 58 2.702 -9.249 -7.364 1.00 0.00 C ATOM 874 O LYS A 58 2.376 -8.099 -7.634 1.00 0.00 O ATOM 875 CB LYS A 58 3.992 -9.255 -5.213 1.00 0.00 C ATOM 876 CG LYS A 58 5.213 -9.125 -6.154 1.00 0.00 C ATOM 877 CD LYS A 58 6.476 -8.889 -5.337 1.00 0.00 C ATOM 878 CE LYS A 58 7.789 -8.764 -6.108 1.00 0.00 C ATOM 879 NZ LYS A 58 8.990 -8.933 -5.250 1.00 0.00 N ATOM 0 H LYS A 58 3.256 -11.637 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 58 1.857 -9.230 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.816 -8.294 -4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.230 -9.969 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.320 -10.030 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.060 -8.300 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.337 -7.978 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.578 -9.709 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.809 -9.511 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.829 -7.787 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.837 -8.640 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.893 -8.346 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.082 -9.932 -4.975 1.00 0.00 H new ATOM 893 N SER A 59 3.124 -10.099 -8.306 1.00 0.00 N ATOM 894 CA SER A 59 3.344 -9.591 -9.643 1.00 0.00 C ATOM 895 C SER A 59 1.980 -9.285 -10.311 1.00 0.00 C ATOM 896 O SER A 59 1.926 -8.676 -11.382 1.00 0.00 O ATOM 897 CB SER A 59 4.210 -10.576 -10.430 1.00 0.00 C ATOM 898 OG SER A 59 4.721 -10.015 -11.624 1.00 0.00 O ATOM 0 H SER A 59 3.310 -11.093 -8.170 1.00 0.00 H new ATOM 0 HA SER A 59 3.894 -8.650 -9.617 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.039 -10.906 -9.804 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.620 -11.460 -10.671 1.00 0.00 H new ATOM 0 HG SER A 59 4.062 -9.396 -12.003 1.00 0.00 H new ATOM 904 N TYR A 60 0.863 -9.724 -9.708 1.00 0.00 N ATOM 905 CA TYR A 60 -0.495 -9.420 -10.143 1.00 0.00 C ATOM 906 C TYR A 60 -0.928 -8.010 -9.717 1.00 0.00 C ATOM 907 O TYR A 60 -2.037 -7.606 -10.066 1.00 0.00 O ATOM 908 CB TYR A 60 -1.486 -10.427 -9.531 1.00 0.00 C ATOM 909 CG TYR A 60 -1.473 -11.860 -10.039 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.273 -12.549 -10.309 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.694 -12.558 -10.124 1.00 0.00 C ATOM 912 CE1 TYR A 60 -0.282 -13.921 -10.591 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.713 -13.920 -10.463 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.504 -14.622 -10.658 1.00 0.00 C ATOM 915 OH TYR A 60 -1.516 -15.966 -10.862 1.00 0.00 O ATOM 0 H TYR A 60 0.890 -10.318 -8.879 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.501 -9.482 -11.231 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.308 -10.455 -8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.492 -10.033 -9.677 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.664 -12.013 -10.298 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.622 -12.041 -9.927 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.649 -14.443 -10.757 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.657 -14.433 -10.575 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.442 -16.286 -10.879 1.00 0.00 H new ATOM 925 N VAL A 61 -0.122 -7.265 -8.957 1.00 0.00 N ATOM 926 CA VAL A 61 -0.513 -5.999 -8.344 1.00 0.00 C ATOM 927 C VAL A 61 0.552 -4.936 -8.652 1.00 0.00 C ATOM 928 O VAL A 61 1.572 -5.232 -9.280 1.00 0.00 O ATOM 929 CB VAL A 61 -0.791 -6.199 -6.831 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.660 -7.448 -6.559 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.471 -6.299 -5.949 1.00 0.00 C ATOM 0 H VAL A 61 0.840 -7.533 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.449 -5.635 -8.769 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.323 -5.289 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.828 -7.548 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.618 -7.343 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.147 -8.336 -6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.178 -6.438 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.074 -7.147 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.054 -5.383 -6.043 1.00 0.00 H new ATOM 941 N LYS A 62 0.348 -3.693 -8.206 1.00 0.00 N ATOM 942 CA LYS A 62 1.415 -2.695 -8.144 1.00 0.00 C ATOM 943 C LYS A 62 1.289 -1.904 -6.849 1.00 0.00 C ATOM 944 O LYS A 62 0.173 -1.654 -6.391 1.00 0.00 O ATOM 945 CB LYS A 62 1.396 -1.794 -9.392 1.00 0.00 C ATOM 946 CG LYS A 62 0.132 -0.934 -9.546 1.00 0.00 C ATOM 947 CD LYS A 62 0.224 0.041 -10.727 1.00 0.00 C ATOM 948 CE LYS A 62 1.108 1.231 -10.334 1.00 0.00 C ATOM 949 NZ LYS A 62 1.442 2.100 -11.479 1.00 0.00 N ATOM 0 H LYS A 62 -0.557 -3.353 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 62 2.385 -3.192 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.265 -1.136 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.502 -2.421 -10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.732 -1.585 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.035 -0.372 -8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.640 -0.464 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.771 0.388 -11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.597 1.821 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.029 0.860 -9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.040 2.887 -11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.954 1.548 -12.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.567 2.479 -11.894 1.00 0.00 H new ATOM 963 N ILE A 63 2.414 -1.499 -6.255 1.00 0.00 N ATOM 964 CA ILE A 63 2.417 -0.507 -5.182 1.00 0.00 C ATOM 965 C ILE A 63 1.940 0.810 -5.765 1.00 0.00 C ATOM 966 O ILE A 63 2.218 1.128 -6.926 1.00 0.00 O ATOM 967 CB ILE A 63 3.828 -0.374 -4.560 1.00 0.00 C ATOM 968 CG1 ILE A 63 4.089 -1.596 -3.660 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.065 0.969 -3.842 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.240 -1.475 -2.648 1.00 0.00 C ATOM 0 H ILE A 63 3.340 -1.847 -6.503 1.00 0.00 H new ATOM 0 HA ILE A 63 1.749 -0.816 -4.378 1.00 0.00 H new ATOM 0 HB ILE A 63 4.560 -0.364 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.174 -1.815 -3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.289 -2.454 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.075 0.989 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.946 1.787 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.343 1.082 -3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.321 -2.400 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.174 -1.294 -3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.042 -0.645 -1.970 1.00 0.00 H new ATOM 982 N ILE A 64 1.266 1.588 -4.923 1.00 0.00 N ATOM 983 CA ILE A 64 0.624 2.825 -5.286 1.00 0.00 C ATOM 984 C ILE A 64 1.272 3.943 -4.458 1.00 0.00 C ATOM 985 O ILE A 64 1.507 3.765 -3.258 1.00 0.00 O ATOM 986 CB ILE A 64 -0.876 2.672 -5.008 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.423 1.322 -5.499 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.764 3.748 -5.624 1.00 0.00 C ATOM 989 CD1 ILE A 64 -1.517 1.204 -7.025 1.00 0.00 C ATOM 0 H ILE A 64 1.154 1.356 -3.936 1.00 0.00 H new ATOM 0 HA ILE A 64 0.744 3.075 -6.340 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.924 2.759 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.783 0.524 -5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.413 1.166 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.805 3.550 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.475 4.725 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.647 3.740 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.912 0.223 -7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.181 1.978 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.526 1.326 -7.461 1.00 0.00 H new ATOM 1001 N PRO A 65 1.540 5.104 -5.068 1.00 0.00 N ATOM 1002 CA PRO A 65 2.151 6.234 -4.393 1.00 0.00 C ATOM 1003 C PRO A 65 1.194 6.821 -3.355 1.00 0.00 C ATOM 1004 O PRO A 65 1.638 7.252 -2.289 1.00 0.00 O ATOM 1005 CB PRO A 65 2.513 7.235 -5.492 1.00 0.00 C ATOM 1006 CG PRO A 65 1.721 6.802 -6.731 1.00 0.00 C ATOM 1007 CD PRO A 65 1.066 5.473 -6.380 1.00 0.00 C ATOM 0 HA PRO A 65 3.044 5.948 -3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.252 8.251 -5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.585 7.227 -5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.970 7.548 -6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.378 6.695 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.020 5.565 -6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.326 4.709 -7.113 1.00 0.00 H new ATOM 1015 N GLY A 66 -0.114 6.772 -3.627 1.00 0.00 N ATOM 1016 CA GLY A 66 -1.167 7.171 -2.704 1.00 0.00 C ATOM 1017 C GLY A 66 -0.995 8.620 -2.269 1.00 0.00 C ATOM 1018 O GLY A 66 -1.042 8.914 -1.072 1.00 0.00 O ATOM 0 H GLY A 66 -0.474 6.443 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.139 7.044 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.153 6.521 -1.829 1.00 0.00 H new ATOM 1022 N SER A 67 -0.735 9.503 -3.231 1.00 0.00 N ATOM 1023 CA SER A 67 -0.430 10.902 -3.068 1.00 0.00 C ATOM 1024 C SER A 67 -1.012 11.614 -4.281 1.00 0.00 C ATOM 1025 O SER A 67 -0.849 11.132 -5.402 1.00 0.00 O ATOM 1026 CB SER A 67 1.089 11.081 -3.047 1.00 0.00 C ATOM 1027 OG SER A 67 1.615 10.669 -1.798 1.00 0.00 O ATOM 0 H SER A 67 -0.735 9.227 -4.213 1.00 0.00 H new ATOM 0 HA SER A 67 -0.843 11.301 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.542 10.499 -3.850 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.342 12.126 -3.229 1.00 0.00 H new ATOM 0 HG SER A 67 2.588 10.787 -1.798 1.00 0.00 H new ATOM 1033 N GLU A 68 -1.664 12.742 -4.014 1.00 0.00 N ATOM 1034 CA GLU A 68 -2.055 13.812 -4.923 1.00 0.00 C ATOM 1035 C GLU A 68 -2.498 13.279 -6.292 1.00 0.00 C ATOM 1036 O GLU A 68 -1.794 13.414 -7.296 1.00 0.00 O ATOM 1037 CB GLU A 68 -0.908 14.834 -4.969 1.00 0.00 C ATOM 1038 CG GLU A 68 -1.292 16.126 -5.706 1.00 0.00 C ATOM 1039 CD GLU A 68 -0.212 17.207 -5.615 1.00 0.00 C ATOM 1040 OE1 GLU A 68 1.000 16.878 -5.662 1.00 0.00 O ATOM 1041 OE2 GLU A 68 -0.598 18.392 -5.511 1.00 0.00 O ATOM 0 H GLU A 68 -1.961 12.949 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.945 14.323 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.604 15.078 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.045 14.384 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.483 15.897 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.222 16.513 -5.290 1.00 0.00 H new ATOM 1048 N SER A 69 -3.686 12.675 -6.327 1.00 0.00 N ATOM 1049 CA SER A 69 -4.216 12.052 -7.528 1.00 0.00 C ATOM 1050 C SER A 69 -5.733 12.210 -7.578 1.00 0.00 C ATOM 1051 O SER A 69 -6.450 11.444 -6.924 1.00 0.00 O ATOM 1052 CB SER A 69 -3.770 10.582 -7.583 1.00 0.00 C ATOM 1053 OG SER A 69 -4.202 9.849 -6.445 1.00 0.00 O ATOM 0 H SER A 69 -4.305 12.607 -5.519 1.00 0.00 H new ATOM 0 HA SER A 69 -3.819 12.548 -8.414 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.167 10.117 -8.485 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.683 10.536 -7.652 1.00 0.00 H new ATOM 0 HG SER A 69 -5.110 10.127 -6.202 1.00 0.00 H new ATOM 1059 N GLY A 70 -6.237 13.165 -8.353 1.00 0.00 N ATOM 1060 CA GLY A 70 -7.656 13.359 -8.596 1.00 0.00 C ATOM 1061 C GLY A 70 -7.938 14.787 -9.063 1.00 0.00 C ATOM 1062 O GLY A 70 -6.995 15.551 -9.272 1.00 0.00 O ATOM 0 H GLY A 70 -5.651 13.842 -8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.000 12.651 -9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.217 13.152 -7.685 1.00 0.00 H new ATOM 1066 N PRO A 71 -9.215 15.153 -9.256 1.00 0.00 N ATOM 1067 CA PRO A 71 -9.658 16.512 -9.556 1.00 0.00 C ATOM 1068 C PRO A 71 -9.160 17.553 -8.554 1.00 0.00 C ATOM 1069 O PRO A 71 -8.684 17.204 -7.469 1.00 0.00 O ATOM 1070 CB PRO A 71 -11.192 16.460 -9.516 1.00 0.00 C ATOM 1071 CG PRO A 71 -11.513 14.999 -9.793 1.00 0.00 C ATOM 1072 CD PRO A 71 -10.353 14.265 -9.142 1.00 0.00 C ATOM 0 HA PRO A 71 -9.256 16.820 -10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.578 16.778 -8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.634 17.116 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.470 14.707 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.571 14.794 -10.862 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.570 14.038 -8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.160 13.315 -9.641 1.00 0.00 H new ATOM 1080 N SER A 72 -9.382 18.832 -8.872 1.00 0.00 N ATOM 1081 CA SER A 72 -9.340 19.894 -7.877 1.00 0.00 C ATOM 1082 C SER A 72 -10.246 19.525 -6.693 1.00 0.00 C ATOM 1083 O SER A 72 -11.329 18.960 -6.877 1.00 0.00 O ATOM 1084 CB SER A 72 -9.772 21.234 -8.504 1.00 0.00 C ATOM 1085 OG SER A 72 -8.700 22.161 -8.505 1.00 0.00 O ATOM 0 H SER A 72 -9.593 19.152 -9.817 1.00 0.00 H new ATOM 0 HA SER A 72 -8.318 20.008 -7.514 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.116 21.068 -9.525 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.614 21.646 -7.947 1.00 0.00 H new ATOM 0 HG SER A 72 -8.996 23.003 -8.909 1.00 0.00 H new ATOM 1091 N SER A 73 -9.807 19.859 -5.481 1.00 0.00 N ATOM 1092 CA SER A 73 -10.629 19.848 -4.285 1.00 0.00 C ATOM 1093 C SER A 73 -11.686 20.939 -4.479 1.00 0.00 C ATOM 1094 O SER A 73 -11.359 22.132 -4.478 1.00 0.00 O ATOM 1095 CB SER A 73 -9.722 20.076 -3.064 1.00 0.00 C ATOM 1096 OG SER A 73 -10.421 20.064 -1.833 1.00 0.00 O ATOM 0 H SER A 73 -8.846 20.151 -5.305 1.00 0.00 H new ATOM 0 HA SER A 73 -11.138 18.899 -4.114 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.952 19.304 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.211 21.033 -3.174 1.00 0.00 H new ATOM 0 HG SER A 73 -9.791 20.212 -1.097 1.00 0.00 H new ATOM 1102 N GLY A 74 -12.938 20.529 -4.681 1.00 0.00 N ATOM 1103 CA GLY A 74 -14.064 21.407 -4.937 1.00 0.00 C ATOM 1104 C GLY A 74 -14.314 21.470 -6.422 1.00 0.00 C ATOM 1105 O GLY A 74 -14.249 22.579 -6.988 1.00 0.00 O ATOM 0 H GLY A 74 -13.198 19.543 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.952 21.040 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.859 22.404 -4.548 1.00 0.00 H new TER 1109 GLY A 74