USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 934 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 29 THR OG1 : rot 50:sc= 0.772 USER MOD Set 1.2: A 31 HIS : no HE2:sc= 0.529 K(o=1.3,f=-3.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -146:sc= -1.94! (180deg=-4.24!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= -0.0472 (180deg=-0.767) USER MOD Single : A 14 GLN : amide:sc= -1.85 X(o=-1.8,f=-2.2) USER MOD Single : A 15 GLN : amide:sc=-0.00185 K(o=-0.0018,f=-0.6) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -108:sc= -0.248 (180deg=-3.01!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.51 K(o=-0.51,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -1.31 (180deg=-1.69) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 74:sc= -0.0803! USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0344 (180deg=-0.239) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 43 SER OG : rot 174:sc= -1.18 USER MOD Single : A 48 GLN : amide:sc= -2.67 K(o=-2.7,f=-1.3) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.83! K(o=-2.8!,f=-0.21) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0068 USER MOD Single : A 60 CYS SG : rot -54:sc= -0.567 USER MOD Single : A 67 ASN : amide:sc= -1.02 K(o=-1,f=-0.0068) USER MOD Single : A 68 THR OG1 : rot 55:sc= 0.372 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.2! K(o=-2.2!,f=-0.23) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0476 (180deg=-0.413) USER MOD Single : A 79 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.17) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.349 K(o=-0.35,f=0.63) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 110:sc= -0.0795 USER MOD Single : A 112 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.2) USER MOD Single : A 113 SER OG : rot 83:sc= 0.126 USER MOD Single : A 118 THR OG1 : rot -71:sc= 0.217 USER MOD Single : A 120 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.312) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -165:sc= -0.0315 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 4.389 17.086 -0.001 1.00 0.00 N ATOM 2 CA LYS A 8 5.225 18.218 0.475 1.00 0.00 C ATOM 3 C LYS A 8 5.571 19.161 -0.672 1.00 0.00 C ATOM 4 O LYS A 8 5.440 18.801 -1.843 1.00 0.00 O ATOM 5 CB LYS A 8 6.511 17.690 1.116 1.00 0.00 C ATOM 6 CG LYS A 8 7.362 16.852 0.175 1.00 0.00 C ATOM 7 CD LYS A 8 8.631 16.366 0.855 1.00 0.00 C ATOM 8 CE LYS A 8 9.484 15.531 -0.086 1.00 0.00 C ATOM 9 NZ LYS A 8 10.734 15.055 0.570 1.00 0.00 N ATOM 0 HA LYS A 8 4.652 18.773 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.102 18.534 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.252 17.091 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.785 15.996 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.622 17.441 -0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.207 17.222 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.371 15.775 1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.908 14.674 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.738 16.122 -0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.287 14.490 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.297 15.873 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.492 14.470 1.395 1.00 0.00 H new ATOM 23 N LYS A 9 6.011 20.368 -0.326 1.00 0.00 N ATOM 24 CA LYS A 9 6.378 21.372 -1.322 1.00 0.00 C ATOM 25 C LYS A 9 5.193 21.713 -2.220 1.00 0.00 C ATOM 26 O LYS A 9 4.880 20.978 -3.156 1.00 0.00 O ATOM 27 CB LYS A 9 7.555 20.879 -2.168 1.00 0.00 C ATOM 28 CG LYS A 9 8.016 21.881 -3.215 1.00 0.00 C ATOM 29 CD LYS A 9 9.242 21.389 -3.969 1.00 0.00 C ATOM 30 CE LYS A 9 8.883 20.350 -5.022 1.00 0.00 C ATOM 31 NZ LYS A 9 8.422 19.070 -4.417 1.00 0.00 N ATOM 0 H LYS A 9 6.122 20.676 0.640 1.00 0.00 H new ATOM 0 HA LYS A 9 6.677 22.277 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.391 20.644 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.271 19.952 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.206 22.067 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.244 22.832 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.737 22.234 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.954 20.960 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.100 20.747 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.751 20.160 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.727 18.274 -5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.832 18.968 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.384 19.073 -4.348 1.00 0.00 H new ATOM 45 N ASP A 10 4.541 22.836 -1.926 1.00 0.00 N ATOM 46 CA ASP A 10 3.389 23.289 -2.699 1.00 0.00 C ATOM 47 C ASP A 10 2.258 22.263 -2.656 1.00 0.00 C ATOM 48 O ASP A 10 1.345 22.368 -1.836 1.00 0.00 O ATOM 49 CB ASP A 10 3.792 23.566 -4.150 1.00 0.00 C ATOM 50 CG ASP A 10 4.882 24.614 -4.256 1.00 0.00 C ATOM 51 OD1 ASP A 10 6.073 24.237 -4.226 1.00 0.00 O ATOM 52 OD2 ASP A 10 4.546 25.811 -4.367 1.00 0.00 O ATOM 0 H ASP A 10 4.794 23.452 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 10 3.029 24.214 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.135 22.640 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.918 23.897 -4.710 1.00 0.00 H new ATOM 57 N GLU A 11 2.324 21.274 -3.542 1.00 0.00 N ATOM 58 CA GLU A 11 1.306 20.232 -3.602 1.00 0.00 C ATOM 59 C GLU A 11 1.329 19.375 -2.341 1.00 0.00 C ATOM 60 O GLU A 11 2.240 19.487 -1.519 1.00 0.00 O ATOM 61 CB GLU A 11 1.521 19.352 -4.835 1.00 0.00 C ATOM 62 CG GLU A 11 1.456 20.117 -6.146 1.00 0.00 C ATOM 63 CD GLU A 11 1.686 19.228 -7.353 1.00 0.00 C ATOM 64 OE1 GLU A 11 0.697 18.681 -7.883 1.00 0.00 O ATOM 65 OE2 GLU A 11 2.855 19.079 -7.766 1.00 0.00 O ATOM 0 H GLU A 11 3.072 21.173 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 11 0.331 20.714 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.492 18.863 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.767 18.565 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.482 20.597 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.203 20.911 -6.137 1.00 0.00 H new ATOM 72 N HIS A 12 0.323 18.519 -2.192 1.00 0.00 N ATOM 73 CA HIS A 12 0.229 17.645 -1.029 1.00 0.00 C ATOM 74 C HIS A 12 -0.213 16.242 -1.438 1.00 0.00 C ATOM 75 O HIS A 12 -1.374 16.022 -1.785 1.00 0.00 O ATOM 76 CB HIS A 12 -0.749 18.225 -0.006 1.00 0.00 C ATOM 77 CG HIS A 12 -0.854 17.418 1.251 1.00 0.00 C ATOM 78 ND1 HIS A 12 -0.075 17.651 2.364 1.00 0.00 N ATOM 79 CD2 HIS A 12 -1.656 16.372 1.568 1.00 0.00 C ATOM 80 CE1 HIS A 12 -0.391 16.786 3.311 1.00 0.00 C ATOM 81 NE2 HIS A 12 -1.347 16.000 2.854 1.00 0.00 N ATOM 0 H HIS A 12 -0.438 18.412 -2.862 1.00 0.00 H new ATOM 0 HA HIS A 12 1.218 17.577 -0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.437 19.238 0.248 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.736 18.301 -0.462 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.398 15.917 0.929 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.057 16.731 4.292 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.786 15.239 3.372 1.00 0.00 H new ATOM 90 N LYS A 13 0.722 15.297 -1.393 1.00 0.00 N ATOM 91 CA LYS A 13 0.431 13.915 -1.755 1.00 0.00 C ATOM 92 C LYS A 13 1.107 12.948 -0.789 1.00 0.00 C ATOM 93 O LYS A 13 2.192 13.224 -0.279 1.00 0.00 O ATOM 94 CB LYS A 13 0.895 13.629 -3.185 1.00 0.00 C ATOM 95 CG LYS A 13 0.167 14.449 -4.237 1.00 0.00 C ATOM 96 CD LYS A 13 0.642 14.101 -5.639 1.00 0.00 C ATOM 97 CE LYS A 13 -0.096 14.911 -6.693 1.00 0.00 C ATOM 98 NZ LYS A 13 -1.563 14.656 -6.663 1.00 0.00 N ATOM 0 H LYS A 13 1.687 15.464 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.648 13.770 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.964 13.828 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.752 12.570 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.906 14.272 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.329 15.510 -4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.713 14.288 -5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.489 13.037 -5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.091 15.973 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.295 14.664 -7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.972 14.875 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.737 13.656 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.005 15.259 -5.940 1.00 0.00 H new ATOM 112 N GLN A 14 0.459 11.813 -0.544 1.00 0.00 N ATOM 113 CA GLN A 14 1.001 10.806 0.359 1.00 0.00 C ATOM 114 C GLN A 14 2.119 10.015 -0.309 1.00 0.00 C ATOM 115 O GLN A 14 1.865 9.107 -1.100 1.00 0.00 O ATOM 116 CB GLN A 14 -0.104 9.855 0.822 1.00 0.00 C ATOM 117 CG GLN A 14 -0.971 10.423 1.933 1.00 0.00 C ATOM 118 CD GLN A 14 -0.179 10.764 3.182 1.00 0.00 C ATOM 119 OE1 GLN A 14 -0.514 11.701 3.904 1.00 0.00 O ATOM 120 NE2 GLN A 14 0.876 9.999 3.444 1.00 0.00 N ATOM 0 H GLN A 14 -0.441 11.569 -0.958 1.00 0.00 H new ATOM 0 HA GLN A 14 1.415 11.322 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.737 9.605 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.349 8.925 1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.475 11.320 1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.747 9.701 2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.118 9.232 2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.444 10.179 4.272 1.00 0.00 H new ATOM 129 N GLN A 15 3.357 10.370 0.015 1.00 0.00 N ATOM 130 CA GLN A 15 4.520 9.693 -0.545 1.00 0.00 C ATOM 131 C GLN A 15 5.498 9.309 0.559 1.00 0.00 C ATOM 132 O GLN A 15 5.783 10.107 1.452 1.00 0.00 O ATOM 133 CB GLN A 15 5.218 10.588 -1.571 1.00 0.00 C ATOM 134 CG GLN A 15 4.302 11.062 -2.689 1.00 0.00 C ATOM 135 CD GLN A 15 5.019 11.933 -3.701 1.00 0.00 C ATOM 136 OE1 GLN A 15 5.973 12.636 -3.368 1.00 0.00 O ATOM 137 NE2 GLN A 15 4.561 11.891 -4.947 1.00 0.00 N ATOM 0 H GLN A 15 3.581 11.124 0.664 1.00 0.00 H new ATOM 0 HA GLN A 15 4.179 8.786 -1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.633 11.457 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.056 10.043 -2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.877 10.196 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.470 11.620 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.767 11.294 -5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.003 12.456 -5.672 1.00 0.00 H new ATOM 146 N GLY A 16 6.008 8.086 0.492 1.00 0.00 N ATOM 147 CA GLY A 16 6.945 7.621 1.498 1.00 0.00 C ATOM 148 C GLY A 16 7.286 6.153 1.346 1.00 0.00 C ATOM 149 O GLY A 16 7.537 5.677 0.237 1.00 0.00 O ATOM 0 H GLY A 16 5.791 7.409 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.860 8.210 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.522 7.791 2.488 1.00 0.00 H new ATOM 153 N GLU A 17 7.292 5.432 2.463 1.00 0.00 N ATOM 154 CA GLU A 17 7.610 4.009 2.454 1.00 0.00 C ATOM 155 C GLU A 17 6.531 3.203 3.169 1.00 0.00 C ATOM 156 O GLU A 17 6.060 3.590 4.239 1.00 0.00 O ATOM 157 CB GLU A 17 8.967 3.772 3.120 1.00 0.00 C ATOM 158 CG GLU A 17 10.081 4.636 2.549 1.00 0.00 C ATOM 159 CD GLU A 17 11.394 4.456 3.283 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.534 5.008 4.395 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.284 3.766 2.745 1.00 0.00 O ATOM 0 H GLU A 17 7.080 5.810 3.386 1.00 0.00 H new ATOM 0 HA GLU A 17 7.654 3.676 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.878 3.967 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.239 2.722 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.221 4.392 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.783 5.684 2.596 1.00 0.00 H new ATOM 168 N LEU A 18 6.144 2.082 2.570 1.00 0.00 N ATOM 169 CA LEU A 18 5.119 1.217 3.147 1.00 0.00 C ATOM 170 C LEU A 18 5.539 -0.248 3.068 1.00 0.00 C ATOM 171 O LEU A 18 6.425 -0.608 2.294 1.00 0.00 O ATOM 172 CB LEU A 18 3.785 1.419 2.425 1.00 0.00 C ATOM 173 CG LEU A 18 2.660 2.001 3.285 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.405 2.206 2.451 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.368 1.095 4.473 1.00 0.00 C ATOM 0 H LEU A 18 6.525 1.750 1.684 1.00 0.00 H new ATOM 0 HA LEU A 18 4.999 1.486 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.948 2.079 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.457 0.459 2.027 1.00 0.00 H new ATOM 0 HG LEU A 18 2.985 2.969 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.615 2.620 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.619 2.895 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.080 1.249 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.566 1.527 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.064 0.111 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.265 0.997 5.085 1.00 0.00 H new ATOM 187 N TYR A 19 4.896 -1.088 3.874 1.00 0.00 N ATOM 188 CA TYR A 19 5.201 -2.512 3.894 1.00 0.00 C ATOM 189 C TYR A 19 4.124 -3.311 3.172 1.00 0.00 C ATOM 190 O TYR A 19 2.932 -3.030 3.304 1.00 0.00 O ATOM 191 CB TYR A 19 5.336 -3.004 5.337 1.00 0.00 C ATOM 192 CG TYR A 19 6.402 -2.281 6.125 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.131 -1.069 6.746 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.681 -2.811 6.248 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.104 -0.404 7.467 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.659 -2.153 6.970 1.00 0.00 C ATOM 197 CZ TYR A 19 8.365 -0.950 7.577 1.00 0.00 C ATOM 198 OH TYR A 19 9.336 -0.291 8.296 1.00 0.00 O ATOM 0 H TYR A 19 4.160 -0.805 4.522 1.00 0.00 H new ATOM 0 HA TYR A 19 6.147 -2.662 3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.378 -2.885 5.844 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.562 -4.070 5.329 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.144 -0.639 6.664 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.914 -3.752 5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.878 0.539 7.942 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.648 -2.579 7.058 1.00 0.00 H new ATOM 0 HH TYR A 19 10.167 -0.810 8.276 1.00 0.00 H new ATOM 208 N MET A 20 4.555 -4.307 2.407 1.00 0.00 N ATOM 209 CA MET A 20 3.635 -5.153 1.657 1.00 0.00 C ATOM 210 C MET A 20 4.034 -6.620 1.774 1.00 0.00 C ATOM 211 O MET A 20 5.215 -6.960 1.707 1.00 0.00 O ATOM 212 CB MET A 20 3.605 -4.726 0.190 1.00 0.00 C ATOM 213 CG MET A 20 2.843 -3.432 -0.052 1.00 0.00 C ATOM 214 SD MET A 20 3.187 -2.712 -1.669 1.00 0.00 S ATOM 215 CE MET A 20 2.635 -4.029 -2.751 1.00 0.00 C ATOM 0 H MET A 20 5.539 -4.549 2.290 1.00 0.00 H new ATOM 0 HA MET A 20 2.637 -5.036 2.079 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.628 -4.607 -0.166 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.152 -5.521 -0.402 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.774 -3.623 0.036 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.103 -2.712 0.724 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.499 -4.512 -3.207 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.072 -4.762 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.997 -3.615 -3.532 1.00 0.00 H new ATOM 225 N TRP A 21 3.039 -7.484 1.948 1.00 0.00 N ATOM 226 CA TRP A 21 3.281 -8.917 2.082 1.00 0.00 C ATOM 227 C TRP A 21 3.989 -9.482 0.855 1.00 0.00 C ATOM 228 O TRP A 21 3.539 -9.301 -0.276 1.00 0.00 O ATOM 229 CB TRP A 21 1.960 -9.657 2.310 1.00 0.00 C ATOM 230 CG TRP A 21 2.089 -11.149 2.260 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.424 -12.000 1.424 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.936 -11.968 3.076 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.803 -13.297 1.673 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.729 -13.304 2.682 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.847 -11.703 4.102 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.399 -14.368 3.276 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.513 -12.764 4.691 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.285 -14.080 4.276 1.00 0.00 C ATOM 0 H TRP A 21 2.056 -7.217 2.000 1.00 0.00 H new ATOM 0 HA TRP A 21 3.932 -9.065 2.944 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.555 -9.369 3.280 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.240 -9.338 1.556 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.705 -11.698 0.677 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.452 -14.121 1.185 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.028 -10.690 4.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.225 -15.386 2.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.220 -12.572 5.484 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.820 -14.886 4.756 1.00 0.00 H new ATOM 249 N ASP A 22 5.103 -10.167 1.094 1.00 0.00 N ATOM 250 CA ASP A 22 5.879 -10.777 0.020 1.00 0.00 C ATOM 251 C ASP A 22 5.785 -12.296 0.097 1.00 0.00 C ATOM 252 O ASP A 22 6.424 -12.920 0.943 1.00 0.00 O ATOM 253 CB ASP A 22 7.343 -10.339 0.107 1.00 0.00 C ATOM 254 CG ASP A 22 7.521 -8.855 -0.147 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.648 -8.465 -1.326 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.531 -8.082 0.834 1.00 0.00 O ATOM 0 H ASP A 22 5.490 -10.314 2.026 1.00 0.00 H new ATOM 0 HA ASP A 22 5.469 -10.446 -0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.734 -10.585 1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.931 -10.902 -0.618 1.00 0.00 H new ATOM 261 N SER A 23 4.982 -12.885 -0.785 1.00 0.00 N ATOM 262 CA SER A 23 4.802 -14.333 -0.808 1.00 0.00 C ATOM 263 C SER A 23 5.989 -15.032 -1.463 1.00 0.00 C ATOM 264 O SER A 23 6.037 -16.260 -1.528 1.00 0.00 O ATOM 265 CB SER A 23 3.511 -14.698 -1.543 1.00 0.00 C ATOM 266 OG SER A 23 3.472 -14.109 -2.831 1.00 0.00 O ATOM 0 H SER A 23 4.446 -12.382 -1.492 1.00 0.00 H new ATOM 0 HA SER A 23 4.735 -14.674 0.225 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.434 -15.782 -1.633 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.651 -14.365 -0.961 1.00 0.00 H new ATOM 0 HG SER A 23 2.638 -14.359 -3.280 1.00 0.00 H new ATOM 272 N ILE A 24 6.945 -14.245 -1.946 1.00 0.00 N ATOM 273 CA ILE A 24 8.131 -14.802 -2.588 1.00 0.00 C ATOM 274 C ILE A 24 9.072 -15.388 -1.544 1.00 0.00 C ATOM 275 O ILE A 24 9.572 -16.503 -1.695 1.00 0.00 O ATOM 276 CB ILE A 24 8.883 -13.735 -3.409 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.942 -13.091 -4.431 1.00 0.00 C ATOM 278 CG2 ILE A 24 10.089 -14.354 -4.102 1.00 0.00 C ATOM 279 CD1 ILE A 24 8.564 -11.938 -5.189 1.00 0.00 C ATOM 0 H ILE A 24 6.923 -13.226 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 24 7.797 -15.588 -3.265 1.00 0.00 H new ATOM 0 HB ILE A 24 9.238 -12.958 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.619 -13.850 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.049 -12.736 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.610 -13.589 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.765 -14.769 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.757 -15.148 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.838 -11.533 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.862 -11.159 -4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.440 -12.291 -5.733 1.00 0.00 H new ATOM 291 N ASP A 25 9.305 -14.624 -0.484 1.00 0.00 N ATOM 292 CA ASP A 25 10.170 -15.055 0.605 1.00 0.00 C ATOM 293 C ASP A 25 9.373 -15.152 1.897 1.00 0.00 C ATOM 294 O ASP A 25 9.908 -15.505 2.949 1.00 0.00 O ATOM 295 CB ASP A 25 11.332 -14.077 0.781 1.00 0.00 C ATOM 296 CG ASP A 25 12.299 -14.109 -0.386 1.00 0.00 C ATOM 297 OD1 ASP A 25 13.249 -14.919 -0.348 1.00 0.00 O ATOM 298 OD2 ASP A 25 12.106 -13.324 -1.338 1.00 0.00 O ATOM 0 H ASP A 25 8.903 -13.695 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 25 10.574 -16.038 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.939 -13.067 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.868 -14.316 1.700 1.00 0.00 H new ATOM 303 N GLN A 26 8.084 -14.835 1.805 1.00 0.00 N ATOM 304 CA GLN A 26 7.195 -14.872 2.955 1.00 0.00 C ATOM 305 C GLN A 26 7.747 -14.019 4.088 1.00 0.00 C ATOM 306 O GLN A 26 8.230 -14.535 5.097 1.00 0.00 O ATOM 307 CB GLN A 26 6.970 -16.310 3.415 1.00 0.00 C ATOM 308 CG GLN A 26 6.088 -17.100 2.463 1.00 0.00 C ATOM 309 CD GLN A 26 4.769 -17.510 3.087 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.682 -17.742 4.293 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.730 -17.600 2.263 1.00 0.00 N ATOM 0 H GLN A 26 7.632 -14.548 0.937 1.00 0.00 H new ATOM 0 HA GLN A 26 6.232 -14.457 2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.933 -16.811 3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.514 -16.303 4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.893 -16.501 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.622 -17.992 2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.848 -17.399 1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.815 -17.870 2.624 1.00 0.00 H new ATOM 320 N LYS A 27 7.675 -12.704 3.902 1.00 0.00 N ATOM 321 CA LYS A 27 8.172 -11.761 4.898 1.00 0.00 C ATOM 322 C LYS A 27 7.780 -10.330 4.535 1.00 0.00 C ATOM 323 O LYS A 27 7.175 -10.089 3.490 1.00 0.00 O ATOM 324 CB LYS A 27 9.696 -11.866 5.008 1.00 0.00 C ATOM 325 CG LYS A 27 10.436 -11.294 3.809 1.00 0.00 C ATOM 326 CD LYS A 27 11.937 -11.496 3.932 1.00 0.00 C ATOM 327 CE LYS A 27 12.696 -10.707 2.877 1.00 0.00 C ATOM 328 NZ LYS A 27 12.327 -11.124 1.496 1.00 0.00 N ATOM 0 H LYS A 27 7.277 -12.268 3.070 1.00 0.00 H new ATOM 0 HA LYS A 27 7.722 -12.012 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.023 -11.345 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.971 -12.914 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.077 -11.771 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.217 -10.230 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.266 -11.188 4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.171 -12.556 3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.491 -9.644 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.767 -10.844 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.661 -10.410 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.769 -12.040 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.293 -11.213 1.425 1.00 0.00 H new ATOM 342 N TRP A 28 8.126 -9.387 5.406 1.00 0.00 N ATOM 343 CA TRP A 28 7.819 -7.980 5.173 1.00 0.00 C ATOM 344 C TRP A 28 9.074 -7.213 4.772 1.00 0.00 C ATOM 345 O TRP A 28 10.117 -7.333 5.414 1.00 0.00 O ATOM 346 CB TRP A 28 7.203 -7.349 6.423 1.00 0.00 C ATOM 347 CG TRP A 28 5.837 -7.871 6.741 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.528 -8.895 7.588 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.593 -7.395 6.214 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.169 -9.087 7.621 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.572 -8.179 6.785 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.240 -6.383 5.315 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.227 -7.983 6.488 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.903 -6.190 5.020 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.912 -6.987 5.606 1.00 0.00 C ATOM 0 H TRP A 28 8.619 -9.572 6.280 1.00 0.00 H new ATOM 0 HA TRP A 28 7.098 -7.924 4.357 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.860 -7.530 7.274 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.148 -6.269 6.286 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.248 -9.471 8.151 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.683 -9.791 8.177 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.998 -5.763 4.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.460 -8.595 6.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.619 -5.412 4.327 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.876 -6.811 5.356 1.00 0.00 H new ATOM 366 N THR A 29 8.965 -6.427 3.708 1.00 0.00 N ATOM 367 CA THR A 29 10.092 -5.641 3.221 1.00 0.00 C ATOM 368 C THR A 29 9.728 -4.164 3.118 1.00 0.00 C ATOM 369 O THR A 29 8.559 -3.794 3.215 1.00 0.00 O ATOM 370 CB THR A 29 10.570 -6.139 1.846 1.00 0.00 C ATOM 371 OG1 THR A 29 9.486 -6.114 0.912 1.00 0.00 O ATOM 372 CG2 THR A 29 11.125 -7.552 1.942 1.00 0.00 C ATOM 0 H THR A 29 8.108 -6.317 3.166 1.00 0.00 H new ATOM 0 HA THR A 29 10.899 -5.763 3.943 1.00 0.00 H new ATOM 0 HB THR A 29 11.364 -5.476 1.503 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.046 -5.239 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.456 -7.881 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.969 -7.565 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.348 -8.224 2.307 1.00 0.00 H new ATOM 380 N ARG A 30 10.740 -3.325 2.920 1.00 0.00 N ATOM 381 CA ARG A 30 10.531 -1.887 2.805 1.00 0.00 C ATOM 382 C ARG A 30 10.429 -1.472 1.339 1.00 0.00 C ATOM 383 O ARG A 30 11.329 -1.741 0.544 1.00 0.00 O ATOM 384 CB ARG A 30 11.675 -1.132 3.485 1.00 0.00 C ATOM 385 CG ARG A 30 11.488 0.376 3.505 1.00 0.00 C ATOM 386 CD ARG A 30 12.608 1.064 4.267 1.00 0.00 C ATOM 387 NE ARG A 30 12.683 0.615 5.655 1.00 0.00 N ATOM 388 CZ ARG A 30 13.493 1.152 6.562 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.294 2.155 6.230 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.501 0.686 7.803 1.00 0.00 N ATOM 0 H ARG A 30 11.714 -3.617 2.836 1.00 0.00 H new ATOM 0 HA ARG A 30 9.594 -1.635 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.776 -1.490 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.608 -1.366 2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.456 0.754 2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.530 0.619 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.558 0.867 3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.453 2.143 4.243 1.00 0.00 H new ATOM 0 HE ARG A 30 12.079 -0.154 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.290 2.517 5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.914 2.565 6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.885 -0.085 8.062 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.123 1.098 8.499 1.00 0.00 H new ATOM 404 N HIS A 31 9.325 -0.817 0.990 1.00 0.00 N ATOM 405 CA HIS A 31 9.105 -0.371 -0.383 1.00 0.00 C ATOM 406 C HIS A 31 8.940 1.144 -0.447 1.00 0.00 C ATOM 407 O HIS A 31 8.376 1.756 0.460 1.00 0.00 O ATOM 408 CB HIS A 31 7.857 -1.039 -0.967 1.00 0.00 C ATOM 409 CG HIS A 31 7.799 -2.518 -0.751 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.121 -3.436 -1.729 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.436 -3.241 0.335 1.00 0.00 C ATOM 412 CE1 HIS A 31 7.958 -4.658 -1.254 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.543 -4.566 -0.004 1.00 0.00 N ATOM 0 H HIS A 31 8.571 -0.584 1.636 1.00 0.00 H new ATOM 0 HA HIS A 31 9.979 -0.656 -0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.972 -0.583 -0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.817 -0.837 -2.037 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.436 -3.207 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.121 -2.848 1.290 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.134 -5.576 -1.796 1.00 0.00 H new ATOM 422 N TYR A 32 9.437 1.742 -1.525 1.00 0.00 N ATOM 423 CA TYR A 32 9.328 3.182 -1.720 1.00 0.00 C ATOM 424 C TYR A 32 8.160 3.492 -2.651 1.00 0.00 C ATOM 425 O TYR A 32 8.298 3.441 -3.873 1.00 0.00 O ATOM 426 CB TYR A 32 10.628 3.747 -2.295 1.00 0.00 C ATOM 427 CG TYR A 32 10.627 5.253 -2.439 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.932 6.072 -1.358 1.00 0.00 C ATOM 429 CD2 TYR A 32 10.321 5.855 -3.652 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.932 7.449 -1.484 1.00 0.00 C ATOM 431 CE2 TYR A 32 10.319 7.230 -3.786 1.00 0.00 C ATOM 432 CZ TYR A 32 10.625 8.022 -2.700 1.00 0.00 C ATOM 433 OH TYR A 32 10.624 9.393 -2.828 1.00 0.00 O ATOM 0 H TYR A 32 9.920 1.250 -2.277 1.00 0.00 H new ATOM 0 HA TYR A 32 9.148 3.653 -0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.457 3.453 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.808 3.298 -3.272 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.173 5.626 -0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.080 5.238 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.171 8.072 -0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.079 7.682 -4.737 1.00 0.00 H new ATOM 0 HH TYR A 32 10.388 9.635 -3.748 1.00 0.00 H new ATOM 443 N CYS A 33 7.011 3.810 -2.065 1.00 0.00 N ATOM 444 CA CYS A 33 5.814 4.107 -2.843 1.00 0.00 C ATOM 445 C CYS A 33 5.485 5.595 -2.831 1.00 0.00 C ATOM 446 O CYS A 33 6.035 6.363 -2.041 1.00 0.00 O ATOM 447 CB CYS A 33 4.626 3.310 -2.304 1.00 0.00 C ATOM 448 SG CYS A 33 4.371 3.481 -0.523 1.00 0.00 S ATOM 0 H CYS A 33 6.883 3.869 -1.055 1.00 0.00 H new ATOM 0 HA CYS A 33 6.013 3.817 -3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.722 3.630 -2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.772 2.256 -2.540 1.00 0.00 H new ATOM 0 HG CYS A 33 3.873 4.654 -0.267 1.00 0.00 H new ATOM 454 N ALA A 34 4.579 5.989 -3.721 1.00 0.00 N ATOM 455 CA ALA A 34 4.154 7.378 -3.833 1.00 0.00 C ATOM 456 C ALA A 34 2.802 7.469 -4.532 1.00 0.00 C ATOM 457 O ALA A 34 2.597 6.863 -5.584 1.00 0.00 O ATOM 458 CB ALA A 34 5.197 8.191 -4.586 1.00 0.00 C ATOM 0 H ALA A 34 4.122 5.358 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 34 4.050 7.790 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.866 9.227 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.145 8.152 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.328 7.778 -5.586 1.00 0.00 H new ATOM 464 N ILE A 35 1.880 8.226 -3.945 1.00 0.00 N ATOM 465 CA ILE A 35 0.547 8.383 -4.518 1.00 0.00 C ATOM 466 C ILE A 35 0.498 9.546 -5.502 1.00 0.00 C ATOM 467 O ILE A 35 0.572 10.711 -5.111 1.00 0.00 O ATOM 468 CB ILE A 35 -0.520 8.593 -3.423 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.661 7.325 -2.577 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.857 8.977 -4.044 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.669 7.445 -1.453 1.00 0.00 C ATOM 0 H ILE A 35 2.030 8.739 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 35 0.325 7.459 -5.051 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.201 9.410 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.951 6.498 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.311 7.072 -2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.596 9.121 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.744 9.903 -4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.189 8.183 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.711 6.506 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.370 8.249 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.652 7.666 -1.868 1.00 0.00 H new ATOM 483 N ALA A 36 0.373 9.215 -6.784 1.00 0.00 N ATOM 484 CA ALA A 36 0.304 10.221 -7.835 1.00 0.00 C ATOM 485 C ALA A 36 -1.113 10.326 -8.388 1.00 0.00 C ATOM 486 O ALA A 36 -1.656 9.353 -8.910 1.00 0.00 O ATOM 487 CB ALA A 36 1.284 9.888 -8.950 1.00 0.00 C ATOM 0 H ALA A 36 0.317 8.253 -7.119 1.00 0.00 H new ATOM 0 HA ALA A 36 0.577 11.185 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.221 10.648 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.297 9.862 -8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.037 8.914 -9.373 1.00 0.00 H new ATOM 493 N ASP A 37 -1.704 11.512 -8.266 1.00 0.00 N ATOM 494 CA ASP A 37 -3.062 11.753 -8.746 1.00 0.00 C ATOM 495 C ASP A 37 -4.067 10.886 -7.993 1.00 0.00 C ATOM 496 O ASP A 37 -4.688 11.337 -7.029 1.00 0.00 O ATOM 497 CB ASP A 37 -3.158 11.486 -10.251 1.00 0.00 C ATOM 498 CG ASP A 37 -2.230 12.373 -11.057 1.00 0.00 C ATOM 499 OD1 ASP A 37 -1.068 11.972 -11.278 1.00 0.00 O ATOM 500 OD2 ASP A 37 -2.665 13.470 -11.467 1.00 0.00 O ATOM 0 H ASP A 37 -1.261 12.324 -7.837 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.303 12.800 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.918 10.441 -10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.185 11.645 -10.580 1.00 0.00 H new ATOM 505 N ALA A 38 -4.225 9.640 -8.434 1.00 0.00 N ATOM 506 CA ALA A 38 -5.155 8.717 -7.792 1.00 0.00 C ATOM 507 C ALA A 38 -4.570 7.312 -7.676 1.00 0.00 C ATOM 508 O ALA A 38 -5.091 6.479 -6.938 1.00 0.00 O ATOM 509 CB ALA A 38 -6.470 8.674 -8.556 1.00 0.00 C ATOM 0 H ALA A 38 -3.723 9.248 -9.231 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.337 9.086 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.154 7.981 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.913 9.670 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.287 8.340 -9.577 1.00 0.00 H new ATOM 515 N LYS A 39 -3.491 7.049 -8.410 1.00 0.00 N ATOM 516 CA LYS A 39 -2.851 5.738 -8.383 1.00 0.00 C ATOM 517 C LYS A 39 -1.660 5.708 -7.432 1.00 0.00 C ATOM 518 O LYS A 39 -0.979 6.714 -7.236 1.00 0.00 O ATOM 519 CB LYS A 39 -2.388 5.350 -9.785 1.00 0.00 C ATOM 520 CG LYS A 39 -3.530 5.124 -10.753 1.00 0.00 C ATOM 521 CD LYS A 39 -3.022 4.685 -12.112 1.00 0.00 C ATOM 522 CE LYS A 39 -4.111 4.783 -13.162 1.00 0.00 C ATOM 523 NZ LYS A 39 -4.444 6.196 -13.488 1.00 0.00 N ATOM 0 H LYS A 39 -3.043 7.725 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.591 5.022 -8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.740 6.134 -10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.788 4.442 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.204 4.367 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.108 6.042 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.175 5.305 -12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.661 3.658 -12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.789 4.268 -14.067 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.006 4.272 -12.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.950 6.233 -14.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.048 6.592 -12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.568 6.752 -13.557 1.00 0.00 H new ATOM 537 N LEU A 40 -1.422 4.539 -6.844 1.00 0.00 N ATOM 538 CA LEU A 40 -0.305 4.352 -5.928 1.00 0.00 C ATOM 539 C LEU A 40 0.747 3.458 -6.574 1.00 0.00 C ATOM 540 O LEU A 40 0.483 2.294 -6.871 1.00 0.00 O ATOM 541 CB LEU A 40 -0.784 3.729 -4.614 1.00 0.00 C ATOM 542 CG LEU A 40 0.330 3.250 -3.678 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.171 4.423 -3.200 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.254 2.493 -2.495 1.00 0.00 C ATOM 0 H LEU A 40 -1.991 3.705 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 40 0.133 5.326 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.393 4.461 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.431 2.883 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 40 0.976 2.571 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.956 4.061 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.622 4.921 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.538 5.129 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.553 2.161 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.925 3.148 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.809 1.627 -2.855 1.00 0.00 H new ATOM 556 N SER A 41 1.937 4.001 -6.786 1.00 0.00 N ATOM 557 CA SER A 41 3.015 3.243 -7.409 1.00 0.00 C ATOM 558 C SER A 41 4.118 2.937 -6.404 1.00 0.00 C ATOM 559 O SER A 41 4.697 3.844 -5.807 1.00 0.00 O ATOM 560 CB SER A 41 3.586 4.022 -8.594 1.00 0.00 C ATOM 561 OG SER A 41 2.551 4.576 -9.388 1.00 0.00 O ATOM 0 H SER A 41 2.181 4.960 -6.537 1.00 0.00 H new ATOM 0 HA SER A 41 2.606 2.297 -7.765 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.235 4.818 -8.230 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.202 3.362 -9.204 1.00 0.00 H new ATOM 0 HG SER A 41 2.943 5.070 -10.138 1.00 0.00 H new ATOM 567 N PHE A 42 4.407 1.650 -6.221 1.00 0.00 N ATOM 568 CA PHE A 42 5.443 1.231 -5.284 1.00 0.00 C ATOM 569 C PHE A 42 6.675 0.718 -6.024 1.00 0.00 C ATOM 570 O PHE A 42 6.563 0.083 -7.073 1.00 0.00 O ATOM 571 CB PHE A 42 4.908 0.151 -4.338 1.00 0.00 C ATOM 572 CG PHE A 42 4.431 -1.090 -5.036 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.123 -1.190 -5.482 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.289 -2.160 -5.240 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.680 -2.334 -6.121 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.852 -3.305 -5.878 1.00 0.00 C ATOM 577 CZ PHE A 42 3.545 -3.392 -6.318 1.00 0.00 C ATOM 0 H PHE A 42 3.940 0.884 -6.707 1.00 0.00 H new ATOM 0 HA PHE A 42 5.734 2.101 -4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.693 -0.120 -3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.086 0.567 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.442 -0.366 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.311 -2.098 -4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.659 -2.400 -6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.531 -4.131 -6.033 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.200 -4.287 -6.815 1.00 0.00 H new ATOM 587 N SER A 43 7.850 1.002 -5.469 1.00 0.00 N ATOM 588 CA SER A 43 9.108 0.574 -6.070 1.00 0.00 C ATOM 589 C SER A 43 9.618 -0.705 -5.413 1.00 0.00 C ATOM 590 O SER A 43 9.029 -1.198 -4.452 1.00 0.00 O ATOM 591 CB SER A 43 10.157 1.680 -5.937 1.00 0.00 C ATOM 592 OG SER A 43 11.393 1.286 -6.505 1.00 0.00 O ATOM 0 H SER A 43 7.956 1.528 -4.602 1.00 0.00 H new ATOM 0 HA SER A 43 8.929 0.372 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.800 2.585 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.299 1.925 -4.884 1.00 0.00 H new ATOM 0 HG SER A 43 12.014 2.044 -6.494 1.00 0.00 H new ATOM 598 N ASP A 44 10.717 -1.237 -5.940 1.00 0.00 N ATOM 599 CA ASP A 44 11.312 -2.456 -5.404 1.00 0.00 C ATOM 600 C ASP A 44 12.008 -2.178 -4.075 1.00 0.00 C ATOM 601 O ASP A 44 12.248 -1.023 -3.722 1.00 0.00 O ATOM 602 CB ASP A 44 12.311 -3.044 -6.402 1.00 0.00 C ATOM 603 CG ASP A 44 13.454 -2.095 -6.704 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.322 -1.289 -7.650 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.481 -2.158 -5.996 1.00 0.00 O ATOM 0 H ASP A 44 11.214 -0.842 -6.739 1.00 0.00 H new ATOM 0 HA ASP A 44 10.513 -3.178 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.712 -3.976 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.792 -3.290 -7.329 1.00 0.00 H new ATOM 610 N ASP A 45 12.325 -3.243 -3.342 1.00 0.00 N ATOM 611 CA ASP A 45 12.994 -3.113 -2.052 1.00 0.00 C ATOM 612 C ASP A 45 14.232 -2.231 -2.170 1.00 0.00 C ATOM 613 O ASP A 45 14.896 -2.212 -3.207 1.00 0.00 O ATOM 614 CB ASP A 45 13.383 -4.491 -1.517 1.00 0.00 C ATOM 615 CG ASP A 45 12.229 -5.473 -1.564 1.00 0.00 C ATOM 616 OD1 ASP A 45 11.182 -5.187 -0.949 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.373 -6.526 -2.220 1.00 0.00 O ATOM 0 H ASP A 45 12.129 -4.205 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 45 12.301 -2.643 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.215 -4.884 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.733 -4.394 -0.489 1.00 0.00 H new ATOM 622 N ILE A 46 14.539 -1.501 -1.102 1.00 0.00 N ATOM 623 CA ILE A 46 15.694 -0.611 -1.092 1.00 0.00 C ATOM 624 C ILE A 46 16.760 -1.089 -0.111 1.00 0.00 C ATOM 625 O ILE A 46 17.796 -0.444 0.055 1.00 0.00 O ATOM 626 CB ILE A 46 15.285 0.830 -0.728 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.694 0.875 0.684 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.287 1.366 -1.744 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.401 2.277 1.174 1.00 0.00 C ATOM 0 H ILE A 46 14.004 -1.508 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 46 16.108 -0.624 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 46 16.173 1.462 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.773 0.293 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.388 0.395 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 46 14.006 2.384 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.740 1.364 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.399 0.734 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.985 2.231 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.324 2.857 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.683 2.753 0.506 1.00 0.00 H new ATOM 641 N GLU A 47 16.502 -2.221 0.536 1.00 0.00 N ATOM 642 CA GLU A 47 17.443 -2.779 1.501 1.00 0.00 C ATOM 643 C GLU A 47 17.143 -4.250 1.770 1.00 0.00 C ATOM 644 O GLU A 47 18.052 -5.048 1.997 1.00 0.00 O ATOM 645 CB GLU A 47 17.395 -1.987 2.808 1.00 0.00 C ATOM 646 CG GLU A 47 16.006 -1.904 3.421 1.00 0.00 C ATOM 647 CD GLU A 47 15.985 -1.113 4.715 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.784 0.117 4.654 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.169 -1.726 5.788 1.00 0.00 O ATOM 0 H GLU A 47 15.651 -2.769 0.410 1.00 0.00 H new ATOM 0 HA GLU A 47 18.444 -2.706 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.073 -2.447 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.763 -0.977 2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.325 -1.442 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.635 -2.912 3.610 1.00 0.00 H new ATOM 656 N GLN A 48 15.861 -4.603 1.744 1.00 0.00 N ATOM 657 CA GLN A 48 15.440 -5.978 1.985 1.00 0.00 C ATOM 658 C GLN A 48 15.176 -6.703 0.670 1.00 0.00 C ATOM 659 O GLN A 48 14.292 -7.555 0.584 1.00 0.00 O ATOM 660 CB GLN A 48 14.183 -5.998 2.858 1.00 0.00 C ATOM 661 CG GLN A 48 14.404 -5.436 4.252 1.00 0.00 C ATOM 662 CD GLN A 48 13.143 -5.446 5.095 1.00 0.00 C ATOM 663 OE1 GLN A 48 12.854 -6.421 5.789 1.00 0.00 O ATOM 664 NE2 GLN A 48 12.386 -4.356 5.039 1.00 0.00 N ATOM 0 H GLN A 48 15.096 -3.955 1.558 1.00 0.00 H new ATOM 0 HA GLN A 48 16.245 -6.496 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.398 -5.425 2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.824 -7.024 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.177 -6.017 4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.775 -4.414 4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.665 -3.571 4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.526 -4.304 5.585 1.00 0.00 H new ATOM 673 N THR A 49 15.958 -6.362 -0.351 1.00 0.00 N ATOM 674 CA THR A 49 15.815 -6.977 -1.666 1.00 0.00 C ATOM 675 C THR A 49 15.925 -8.496 -1.584 1.00 0.00 C ATOM 676 O THR A 49 15.049 -9.217 -2.059 1.00 0.00 O ATOM 677 CB THR A 49 16.876 -6.448 -2.650 1.00 0.00 C ATOM 678 OG1 THR A 49 18.188 -6.782 -2.183 1.00 0.00 O ATOM 679 CG2 THR A 49 16.759 -4.940 -2.811 1.00 0.00 C ATOM 0 H THR A 49 16.698 -5.662 -0.292 1.00 0.00 H new ATOM 0 HA THR A 49 14.823 -6.710 -2.032 1.00 0.00 H new ATOM 0 HB THR A 49 16.706 -6.916 -3.620 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.856 -6.444 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.518 -4.589 -3.510 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.769 -4.691 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.906 -4.458 -1.844 1.00 0.00 H new ATOM 687 N MET A 50 17.009 -8.970 -0.977 1.00 0.00 N ATOM 688 CA MET A 50 17.240 -10.404 -0.827 1.00 0.00 C ATOM 689 C MET A 50 17.219 -11.106 -2.182 1.00 0.00 C ATOM 690 O MET A 50 16.840 -12.274 -2.281 1.00 0.00 O ATOM 691 CB MET A 50 16.185 -11.016 0.096 1.00 0.00 C ATOM 692 CG MET A 50 16.162 -10.400 1.485 1.00 0.00 C ATOM 693 SD MET A 50 17.725 -10.600 2.361 1.00 0.00 S ATOM 694 CE MET A 50 17.357 -9.770 3.904 1.00 0.00 C ATOM 0 H MET A 50 17.742 -8.382 -0.581 1.00 0.00 H new ATOM 0 HA MET A 50 18.226 -10.544 -0.384 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.202 -10.899 -0.361 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.369 -12.087 0.185 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.929 -9.338 1.403 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.363 -10.858 2.068 1.00 0.00 H new ATOM 0 HE1 MET A 50 18.230 -9.809 4.555 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.099 -8.730 3.705 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.518 -10.265 4.392 1.00 0.00 H new ATOM 704 N GLU A 51 17.635 -10.388 -3.223 1.00 0.00 N ATOM 705 CA GLU A 51 17.665 -10.938 -4.574 1.00 0.00 C ATOM 706 C GLU A 51 18.469 -12.233 -4.624 1.00 0.00 C ATOM 707 O GLU A 51 19.542 -12.334 -4.028 1.00 0.00 O ATOM 708 CB GLU A 51 18.263 -9.921 -5.548 1.00 0.00 C ATOM 709 CG GLU A 51 17.453 -8.641 -5.661 1.00 0.00 C ATOM 710 CD GLU A 51 18.107 -7.613 -6.563 1.00 0.00 C ATOM 711 OE1 GLU A 51 18.944 -6.832 -6.065 1.00 0.00 O ATOM 712 OE2 GLU A 51 17.782 -7.590 -7.769 1.00 0.00 O ATOM 0 H GLU A 51 17.956 -9.422 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 51 16.639 -11.158 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.275 -9.674 -5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.344 -10.378 -6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.461 -8.877 -6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.317 -8.213 -4.668 1.00 0.00 H new ATOM 719 N GLU A 52 17.943 -13.222 -5.340 1.00 0.00 N ATOM 720 CA GLU A 52 18.613 -14.510 -5.473 1.00 0.00 C ATOM 721 C GLU A 52 19.868 -14.377 -6.325 1.00 0.00 C ATOM 722 O GLU A 52 20.983 -14.596 -5.850 1.00 0.00 O ATOM 723 CB GLU A 52 17.667 -15.539 -6.098 1.00 0.00 C ATOM 724 CG GLU A 52 18.239 -16.947 -6.138 1.00 0.00 C ATOM 725 CD GLU A 52 17.291 -17.945 -6.773 1.00 0.00 C ATOM 726 OE1 GLU A 52 16.453 -18.515 -6.042 1.00 0.00 O ATOM 727 OE2 GLU A 52 17.386 -18.157 -8.000 1.00 0.00 O ATOM 0 H GLU A 52 17.055 -13.156 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 52 18.900 -14.849 -4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.734 -15.551 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.423 -15.226 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.177 -16.938 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.473 -17.269 -5.123 1.00 0.00 H new ATOM 734 N ASP A 53 19.675 -14.015 -7.588 1.00 0.00 N ATOM 735 CA ASP A 53 20.786 -13.844 -8.516 1.00 0.00 C ATOM 736 C ASP A 53 20.900 -12.387 -8.951 1.00 0.00 C ATOM 737 O ASP A 53 21.568 -12.069 -9.935 1.00 0.00 O ATOM 738 CB ASP A 53 20.594 -14.748 -9.738 1.00 0.00 C ATOM 739 CG ASP A 53 21.815 -14.778 -10.638 1.00 0.00 C ATOM 740 OD1 ASP A 53 22.777 -15.503 -10.308 1.00 0.00 O ATOM 741 OD2 ASP A 53 21.810 -14.077 -11.672 1.00 0.00 O ATOM 0 H ASP A 53 18.757 -13.834 -7.994 1.00 0.00 H new ATOM 0 HA ASP A 53 21.709 -14.126 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 53 20.368 -15.761 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 53 19.734 -14.401 -10.310 1.00 0.00 H new ATOM 746 N ASN A 54 20.244 -11.503 -8.202 1.00 0.00 N ATOM 747 CA ASN A 54 20.260 -10.075 -8.503 1.00 0.00 C ATOM 748 C ASN A 54 19.739 -9.813 -9.916 1.00 0.00 C ATOM 749 O ASN A 54 20.501 -9.444 -10.809 1.00 0.00 O ATOM 750 CB ASN A 54 21.674 -9.509 -8.346 1.00 0.00 C ATOM 751 CG ASN A 54 21.746 -8.024 -8.643 1.00 0.00 C ATOM 752 OD1 ASN A 54 22.765 -7.524 -9.119 1.00 0.00 O ATOM 753 ND2 ASN A 54 20.664 -7.308 -8.360 1.00 0.00 N ATOM 0 H ASN A 54 19.694 -11.753 -7.380 1.00 0.00 H new ATOM 0 HA ASN A 54 19.602 -9.572 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 54 22.022 -9.689 -7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 54 22.351 -10.042 -9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.657 -6.303 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.840 -7.763 -7.966 1.00 0.00 H new ATOM 760 N PRO A 55 18.427 -10.013 -10.134 1.00 0.00 N ATOM 761 CA PRO A 55 17.797 -9.799 -11.441 1.00 0.00 C ATOM 762 C PRO A 55 17.760 -8.323 -11.826 1.00 0.00 C ATOM 763 O PRO A 55 18.496 -7.508 -11.269 1.00 0.00 O ATOM 764 CB PRO A 55 16.370 -10.340 -11.257 1.00 0.00 C ATOM 765 CG PRO A 55 16.399 -11.115 -9.981 1.00 0.00 C ATOM 766 CD PRO A 55 17.453 -10.472 -9.134 1.00 0.00 C ATOM 0 HA PRO A 55 18.348 -10.294 -12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.646 -9.527 -11.206 1.00 0.00 H new ATOM 0 HB3 PRO A 55 16.079 -10.974 -12.095 1.00 0.00 H new ATOM 0 HG2 PRO A 55 15.429 -11.087 -9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.633 -12.163 -10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.053 -9.645 -8.547 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.895 -11.178 -8.431 1.00 0.00 H new ATOM 774 N LEU A 56 16.899 -7.987 -12.781 1.00 0.00 N ATOM 775 CA LEU A 56 16.765 -6.608 -13.239 1.00 0.00 C ATOM 776 C LEU A 56 16.398 -5.684 -12.083 1.00 0.00 C ATOM 777 O LEU A 56 17.211 -4.871 -11.642 1.00 0.00 O ATOM 778 CB LEU A 56 15.704 -6.515 -14.338 1.00 0.00 C ATOM 779 CG LEU A 56 15.548 -5.130 -14.969 1.00 0.00 C ATOM 780 CD1 LEU A 56 16.796 -4.756 -15.755 1.00 0.00 C ATOM 781 CD2 LEU A 56 14.318 -5.086 -15.864 1.00 0.00 C ATOM 0 H LEU A 56 16.284 -8.650 -13.253 1.00 0.00 H new ATOM 0 HA LEU A 56 17.726 -6.290 -13.643 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.952 -7.230 -15.123 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.743 -6.819 -13.922 1.00 0.00 H new ATOM 0 HG LEU A 56 15.416 -4.401 -14.169 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.666 -3.768 -16.196 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.657 -4.744 -15.087 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.961 -5.488 -16.546 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.223 -4.093 -16.304 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.419 -5.826 -16.658 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.430 -5.307 -15.272 1.00 0.00 H new ATOM 793 N GLY A 57 15.168 -5.816 -11.594 1.00 0.00 N ATOM 794 CA GLY A 57 14.714 -4.989 -10.491 1.00 0.00 C ATOM 795 C GLY A 57 14.759 -3.509 -10.817 1.00 0.00 C ATOM 796 O GLY A 57 15.668 -2.799 -10.388 1.00 0.00 O ATOM 0 H GLY A 57 14.478 -6.481 -11.942 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.694 -5.269 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.334 -5.184 -9.616 1.00 0.00 H new ATOM 800 N SER A 58 13.773 -3.042 -11.579 1.00 0.00 N ATOM 801 CA SER A 58 13.703 -1.636 -11.963 1.00 0.00 C ATOM 802 C SER A 58 12.717 -0.880 -11.078 1.00 0.00 C ATOM 803 O SER A 58 12.089 -1.462 -10.193 1.00 0.00 O ATOM 804 CB SER A 58 13.293 -1.506 -13.430 1.00 0.00 C ATOM 805 OG SER A 58 14.224 -2.153 -14.280 1.00 0.00 O ATOM 0 H SER A 58 13.012 -3.617 -11.942 1.00 0.00 H new ATOM 0 HA SER A 58 14.693 -1.199 -11.830 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.303 -1.939 -13.574 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.222 -0.452 -13.699 1.00 0.00 H new ATOM 0 HG SER A 58 13.938 -2.057 -15.212 1.00 0.00 H new ATOM 811 N LEU A 59 12.586 0.420 -11.322 1.00 0.00 N ATOM 812 CA LEU A 59 11.674 1.255 -10.547 1.00 0.00 C ATOM 813 C LEU A 59 10.222 0.917 -10.866 1.00 0.00 C ATOM 814 O LEU A 59 9.908 0.464 -11.967 1.00 0.00 O ATOM 815 CB LEU A 59 11.938 2.736 -10.831 1.00 0.00 C ATOM 816 CG LEU A 59 11.012 3.712 -10.097 1.00 0.00 C ATOM 817 CD1 LEU A 59 11.231 3.631 -8.594 1.00 0.00 C ATOM 818 CD2 LEU A 59 11.231 5.132 -10.592 1.00 0.00 C ATOM 0 H LEU A 59 13.099 0.918 -12.049 1.00 0.00 H new ATOM 0 HA LEU A 59 11.851 1.057 -9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.969 2.964 -10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.844 2.907 -11.903 1.00 0.00 H new ATOM 0 HG LEU A 59 9.981 3.430 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.564 4.331 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.020 2.618 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.265 3.885 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.564 5.810 -10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.266 5.424 -10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.020 5.181 -11.660 1.00 0.00 H new ATOM 830 N CYS A 60 9.343 1.139 -9.892 1.00 0.00 N ATOM 831 CA CYS A 60 7.921 0.864 -10.058 1.00 0.00 C ATOM 832 C CYS A 60 7.680 -0.604 -10.397 1.00 0.00 C ATOM 833 O CYS A 60 7.705 -0.995 -11.564 1.00 0.00 O ATOM 834 CB CYS A 60 7.329 1.756 -11.151 1.00 0.00 C ATOM 835 SG CYS A 60 5.574 1.466 -11.472 1.00 0.00 S ATOM 0 H CYS A 60 9.594 1.510 -8.976 1.00 0.00 H new ATOM 0 HA CYS A 60 7.426 1.083 -9.112 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.468 2.799 -10.868 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.887 1.599 -12.074 1.00 0.00 H new ATOM 0 HG CYS A 60 5.381 0.205 -11.720 1.00 0.00 H new ATOM 841 N ARG A 61 7.453 -1.413 -9.368 1.00 0.00 N ATOM 842 CA ARG A 61 7.202 -2.838 -9.554 1.00 0.00 C ATOM 843 C ARG A 61 5.707 -3.110 -9.673 1.00 0.00 C ATOM 844 O ARG A 61 5.289 -4.238 -9.932 1.00 0.00 O ATOM 845 CB ARG A 61 7.788 -3.638 -8.389 1.00 0.00 C ATOM 846 CG ARG A 61 9.289 -3.464 -8.214 1.00 0.00 C ATOM 847 CD ARG A 61 10.072 -4.118 -9.344 1.00 0.00 C ATOM 848 NE ARG A 61 9.942 -3.386 -10.602 1.00 0.00 N ATOM 849 CZ ARG A 61 10.444 -3.810 -11.758 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.105 -4.958 -11.816 1.00 0.00 N ATOM 851 NH2 ARG A 61 10.283 -3.087 -12.857 1.00 0.00 N ATOM 0 H ARG A 61 7.438 -1.106 -8.395 1.00 0.00 H new ATOM 0 HA ARG A 61 7.687 -3.152 -10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.288 -3.339 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.570 -4.695 -8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.529 -2.402 -8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.596 -3.897 -7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.125 -4.177 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.721 -5.140 -9.483 1.00 0.00 H new ATOM 0 HE ARG A 61 9.438 -2.500 -10.593 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.229 -5.518 -10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.489 -5.281 -12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.774 -2.204 -12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.669 -3.413 -13.743 1.00 0.00 H new ATOM 865 N GLY A 62 4.907 -2.065 -9.482 1.00 0.00 N ATOM 866 CA GLY A 62 3.466 -2.204 -9.571 1.00 0.00 C ATOM 867 C GLY A 62 2.739 -0.926 -9.202 1.00 0.00 C ATOM 868 O GLY A 62 3.287 -0.073 -8.502 1.00 0.00 O ATOM 0 H GLY A 62 5.233 -1.123 -9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.194 -2.494 -10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.140 -3.008 -8.911 1.00 0.00 H new ATOM 872 N ILE A 63 1.504 -0.793 -9.674 1.00 0.00 N ATOM 873 CA ILE A 63 0.700 0.391 -9.395 1.00 0.00 C ATOM 874 C ILE A 63 -0.760 0.026 -9.149 1.00 0.00 C ATOM 875 O ILE A 63 -1.391 -0.630 -9.978 1.00 0.00 O ATOM 876 CB ILE A 63 0.751 1.400 -10.560 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.198 1.739 -10.924 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.018 2.663 -10.195 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.319 2.699 -12.089 1.00 0.00 C ATOM 0 H ILE A 63 1.038 -1.492 -10.252 1.00 0.00 H new ATOM 0 HA ILE A 63 1.125 0.844 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 63 0.282 0.944 -11.432 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.691 2.172 -10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.729 0.818 -11.166 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.025 3.368 -11.025 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.058 2.409 -9.988 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.427 3.117 -9.310 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.372 2.895 -12.292 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.855 2.260 -12.972 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.817 3.635 -11.843 1.00 0.00 H new ATOM 891 N LEU A 64 -1.290 0.454 -8.009 1.00 0.00 N ATOM 892 CA LEU A 64 -2.684 0.192 -7.676 1.00 0.00 C ATOM 893 C LEU A 64 -3.565 1.295 -8.246 1.00 0.00 C ATOM 894 O LEU A 64 -3.533 2.430 -7.772 1.00 0.00 O ATOM 895 CB LEU A 64 -2.884 0.108 -6.156 1.00 0.00 C ATOM 896 CG LEU A 64 -2.252 -1.105 -5.462 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.731 -2.401 -6.102 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.733 -1.020 -5.500 1.00 0.00 C ATOM 0 H LEU A 64 -0.777 0.982 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.964 -0.767 -8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.477 1.013 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.954 0.103 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.568 -1.100 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.271 -3.249 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.815 -2.471 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.450 -2.412 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.307 -1.891 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.396 -0.994 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.406 -0.114 -4.989 1.00 0.00 H new ATOM 910 N ASP A 65 -4.340 0.962 -9.274 1.00 0.00 N ATOM 911 CA ASP A 65 -5.226 1.932 -9.907 1.00 0.00 C ATOM 912 C ASP A 65 -6.056 2.670 -8.860 1.00 0.00 C ATOM 913 O ASP A 65 -6.478 3.806 -9.075 1.00 0.00 O ATOM 914 CB ASP A 65 -6.150 1.235 -10.907 1.00 0.00 C ATOM 915 CG ASP A 65 -5.383 0.527 -12.007 1.00 0.00 C ATOM 916 OD1 ASP A 65 -5.038 -0.658 -11.822 1.00 0.00 O ATOM 917 OD2 ASP A 65 -5.125 1.160 -13.053 1.00 0.00 O ATOM 0 H ASP A 65 -4.372 0.029 -9.685 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.610 2.658 -10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.773 0.513 -10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.821 1.970 -11.351 1.00 0.00 H new ATOM 922 N LEU A 66 -6.283 2.010 -7.725 1.00 0.00 N ATOM 923 CA LEU A 66 -7.061 2.589 -6.634 1.00 0.00 C ATOM 924 C LEU A 66 -8.446 3.011 -7.114 1.00 0.00 C ATOM 925 O LEU A 66 -9.157 3.746 -6.429 1.00 0.00 O ATOM 926 CB LEU A 66 -6.321 3.778 -6.018 1.00 0.00 C ATOM 927 CG LEU A 66 -5.082 3.410 -5.192 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.359 4.661 -4.721 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.470 2.540 -4.006 1.00 0.00 C ATOM 0 H LEU A 66 -5.936 1.069 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.187 1.825 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.019 4.453 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.014 4.328 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.404 2.842 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.483 4.377 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.045 5.247 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.030 5.258 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.578 2.289 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.170 3.082 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.940 1.624 -4.365 1.00 0.00 H new ATOM 941 N ASN A 67 -8.822 2.538 -8.297 1.00 0.00 N ATOM 942 CA ASN A 67 -10.125 2.845 -8.870 1.00 0.00 C ATOM 943 C ASN A 67 -11.001 1.598 -8.877 1.00 0.00 C ATOM 944 O ASN A 67 -12.210 1.674 -9.097 1.00 0.00 O ATOM 945 CB ASN A 67 -9.969 3.388 -10.292 1.00 0.00 C ATOM 946 CG ASN A 67 -9.146 4.661 -10.343 1.00 0.00 C ATOM 947 OD1 ASN A 67 -8.446 4.921 -11.321 1.00 0.00 O ATOM 948 ND2 ASN A 67 -9.226 5.462 -9.286 1.00 0.00 N ATOM 0 H ASN A 67 -8.239 1.937 -8.880 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.603 3.609 -8.257 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.497 2.630 -10.917 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.955 3.580 -10.714 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.694 6.332 -9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.819 5.207 -8.497 1.00 0.00 H new ATOM 955 N THR A 68 -10.374 0.449 -8.635 1.00 0.00 N ATOM 956 CA THR A 68 -11.083 -0.824 -8.607 1.00 0.00 C ATOM 957 C THR A 68 -10.530 -1.736 -7.514 1.00 0.00 C ATOM 958 O THR A 68 -9.958 -2.788 -7.801 1.00 0.00 O ATOM 959 CB THR A 68 -10.991 -1.553 -9.962 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.619 -1.758 -10.317 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.690 -0.760 -11.055 1.00 0.00 C ATOM 0 H THR A 68 -9.373 0.376 -8.455 1.00 0.00 H new ATOM 0 HA THR A 68 -12.128 -0.598 -8.397 1.00 0.00 H new ATOM 0 HB THR A 68 -11.488 -2.518 -9.863 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.162 -2.235 -9.594 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.611 -1.296 -12.001 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.741 -0.633 -10.797 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.220 0.219 -11.152 1.00 0.00 H new ATOM 969 N TYR A 69 -10.693 -1.321 -6.262 1.00 0.00 N ATOM 970 CA TYR A 69 -10.217 -2.101 -5.123 1.00 0.00 C ATOM 971 C TYR A 69 -11.078 -1.846 -3.890 1.00 0.00 C ATOM 972 O TYR A 69 -11.929 -0.955 -3.885 1.00 0.00 O ATOM 973 CB TYR A 69 -8.761 -1.751 -4.791 1.00 0.00 C ATOM 974 CG TYR A 69 -7.730 -2.529 -5.576 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.239 -3.737 -5.099 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.238 -2.053 -6.786 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.289 -4.450 -5.804 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.288 -2.761 -7.498 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.818 -3.959 -7.003 1.00 0.00 C ATOM 980 OH TYR A 69 -4.872 -4.668 -7.708 1.00 0.00 O ATOM 0 H TYR A 69 -11.153 -0.446 -6.009 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.284 -3.153 -5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.607 -0.687 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.594 -1.922 -3.728 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.606 -4.126 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.604 -1.115 -7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.917 -5.388 -5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.916 -2.378 -8.437 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.648 -4.186 -8.531 1.00 0.00 H new ATOM 990 N ASN A 70 -10.847 -2.636 -2.846 1.00 0.00 N ATOM 991 CA ASN A 70 -11.577 -2.491 -1.590 1.00 0.00 C ATOM 992 C ASN A 70 -10.615 -2.580 -0.412 1.00 0.00 C ATOM 993 O ASN A 70 -9.822 -3.516 -0.318 1.00 0.00 O ATOM 994 CB ASN A 70 -12.660 -3.564 -1.458 1.00 0.00 C ATOM 995 CG ASN A 70 -13.727 -3.453 -2.528 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.683 -2.690 -2.392 1.00 0.00 O ATOM 997 ND2 ASN A 70 -13.574 -4.226 -3.595 1.00 0.00 N ATOM 0 H ASN A 70 -10.157 -3.387 -2.845 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.059 -1.513 -1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.198 -4.550 -1.513 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.126 -3.485 -0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.265 -4.203 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.765 -4.844 -3.666 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.689 -1.609 0.490 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.810 -1.588 1.652 1.00 0.00 C ATOM 1006 C VAL A 71 -10.493 -2.198 2.872 1.00 0.00 C ATOM 1007 O VAL A 71 -11.642 -1.878 3.179 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.361 -0.154 1.991 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.377 -0.162 3.148 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.751 0.520 0.772 1.00 0.00 C ATOM 0 H VAL A 71 -11.345 -0.830 0.440 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.934 -2.184 1.396 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.239 0.417 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.071 0.860 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.851 -0.600 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.501 -0.751 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.441 1.532 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.885 -0.050 0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.490 0.562 -0.028 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.773 -3.076 3.561 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.296 -3.736 4.751 1.00 0.00 C ATOM 1022 C VAL A 72 -9.230 -3.810 5.838 1.00 0.00 C ATOM 1023 O VAL A 72 -8.168 -4.398 5.641 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.803 -5.157 4.433 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.251 -5.117 3.968 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.919 -5.825 3.392 1.00 0.00 C ATOM 0 H VAL A 72 -8.821 -3.348 3.314 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.136 -3.140 5.107 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.755 -5.749 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.591 -6.129 3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.873 -4.688 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.328 -4.506 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.296 -6.826 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.928 -5.236 2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.899 -5.893 3.770 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.525 -3.214 6.988 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.586 -3.198 8.104 1.00 0.00 C ATOM 1038 C LYS A 73 -8.554 -4.535 8.836 1.00 0.00 C ATOM 1039 O LYS A 73 -9.472 -4.863 9.587 1.00 0.00 O ATOM 1040 CB LYS A 73 -8.959 -2.086 9.087 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.034 -2.000 10.292 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.476 -0.915 11.262 1.00 0.00 C ATOM 1043 CE LYS A 73 -9.816 -1.243 11.900 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.247 -0.192 12.863 1.00 0.00 N ATOM 0 H LYS A 73 -10.407 -2.736 7.172 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.593 -3.013 7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.948 -1.131 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.980 -2.247 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.014 -2.961 10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.017 -1.797 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.722 -0.794 12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.547 0.037 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.571 -1.353 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.747 -2.201 12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.165 -0.454 13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.540 -0.104 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.338 0.717 12.367 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.495 -5.308 8.609 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.341 -6.594 9.276 1.00 0.00 C ATOM 1060 C ALA A 74 -7.032 -6.377 10.760 1.00 0.00 C ATOM 1061 O ALA A 74 -6.025 -5.747 11.100 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.241 -7.412 8.613 1.00 0.00 C ATOM 0 H ALA A 74 -6.736 -5.067 7.972 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.275 -7.150 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.141 -8.369 9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.496 -7.585 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.298 -6.869 8.672 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.889 -6.900 11.663 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.714 -6.745 13.113 1.00 0.00 C ATOM 1070 C PRO A 75 -6.549 -7.561 13.661 1.00 0.00 C ATOM 1071 O PRO A 75 -5.559 -7.003 14.134 1.00 0.00 O ATOM 1072 CB PRO A 75 -9.039 -7.254 13.705 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.967 -7.416 12.546 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.098 -7.673 11.351 1.00 0.00 C ATOM 0 HA PRO A 75 -7.484 -5.711 13.371 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.896 -8.200 14.227 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.440 -6.547 14.431 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.657 -8.244 12.712 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.572 -6.521 12.403 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.881 -8.734 11.228 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.568 -7.335 10.427 1.00 0.00 H new ATOM 1082 N GLN A 76 -6.673 -8.882 13.601 1.00 0.00 N ATOM 1083 CA GLN A 76 -5.630 -9.772 14.099 1.00 0.00 C ATOM 1084 C GLN A 76 -4.495 -9.900 13.087 1.00 0.00 C ATOM 1085 O GLN A 76 -3.827 -10.931 13.011 1.00 0.00 O ATOM 1086 CB GLN A 76 -6.221 -11.149 14.409 1.00 0.00 C ATOM 1087 CG GLN A 76 -5.311 -12.025 15.257 1.00 0.00 C ATOM 1088 CD GLN A 76 -5.976 -13.319 15.681 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -6.611 -13.389 16.732 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -5.832 -14.353 14.861 1.00 0.00 N ATOM 0 H GLN A 76 -7.486 -9.361 13.212 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.222 -9.345 15.015 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.172 -11.019 14.926 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.436 -11.662 13.472 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.406 -12.254 14.694 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.004 -11.471 16.144 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.296 -14.250 13.999 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.257 -15.251 15.093 1.00 0.00 H new ATOM 1099 N GLY A 77 -4.276 -8.838 12.319 1.00 0.00 N ATOM 1100 CA GLY A 77 -3.225 -8.850 11.319 1.00 0.00 C ATOM 1101 C GLY A 77 -3.355 -10.021 10.369 1.00 0.00 C ATOM 1102 O GLY A 77 -4.465 -10.447 10.048 1.00 0.00 O ATOM 0 H GLY A 77 -4.808 -7.969 12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.254 -7.919 10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.255 -8.892 11.814 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.222 -10.546 9.917 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.220 -11.679 9.001 1.00 0.00 C ATOM 1108 C LYS A 78 -0.913 -12.459 9.085 1.00 0.00 C ATOM 1109 O LYS A 78 -0.917 -13.689 9.118 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.458 -11.202 7.567 1.00 0.00 C ATOM 1111 CG LYS A 78 -3.921 -11.217 7.157 1.00 0.00 C ATOM 1112 CD LYS A 78 -4.084 -10.986 5.669 1.00 0.00 C ATOM 1113 CE LYS A 78 -3.544 -12.149 4.860 1.00 0.00 C ATOM 1114 NZ LYS A 78 -4.213 -13.431 5.210 1.00 0.00 N ATOM 0 H LYS A 78 -1.294 -10.205 10.170 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.030 -12.347 9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.070 -10.189 7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.891 -11.834 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.366 -12.174 7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.462 -10.447 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.139 -10.839 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.565 -10.071 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.682 -11.947 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.471 -12.242 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.036 -14.131 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.834 -13.785 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.237 -13.274 5.302 1.00 0.00 H new ATOM 1128 N ASN A 79 0.203 -11.739 9.119 1.00 0.00 N ATOM 1129 CA ASN A 79 1.515 -12.374 9.199 1.00 0.00 C ATOM 1130 C ASN A 79 2.446 -11.608 10.134 1.00 0.00 C ATOM 1131 O ASN A 79 3.042 -10.605 9.745 1.00 0.00 O ATOM 1132 CB ASN A 79 2.143 -12.473 7.807 1.00 0.00 C ATOM 1133 CG ASN A 79 1.298 -13.288 6.847 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.458 -14.503 6.740 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.393 -12.620 6.142 1.00 0.00 N ATOM 0 H ASN A 79 0.227 -10.720 9.093 1.00 0.00 H new ATOM 0 HA ASN A 79 1.375 -13.377 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.283 -11.471 7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.132 -12.924 7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.204 -13.115 5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.295 -11.612 6.263 1.00 0.00 H new ATOM 1142 N GLN A 80 2.560 -12.086 11.371 1.00 0.00 N ATOM 1143 CA GLN A 80 3.425 -11.453 12.365 1.00 0.00 C ATOM 1144 C GLN A 80 3.105 -9.969 12.518 1.00 0.00 C ATOM 1145 O GLN A 80 3.916 -9.201 13.035 1.00 0.00 O ATOM 1146 CB GLN A 80 4.893 -11.629 11.973 1.00 0.00 C ATOM 1147 CG GLN A 80 5.355 -13.077 11.975 1.00 0.00 C ATOM 1148 CD GLN A 80 6.813 -13.225 11.591 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.699 -13.194 12.445 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.071 -13.385 10.298 1.00 0.00 N ATOM 0 H GLN A 80 2.064 -12.910 11.710 1.00 0.00 H new ATOM 0 HA GLN A 80 3.244 -11.940 13.323 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.048 -11.209 10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.515 -11.057 12.661 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.199 -13.503 12.966 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.741 -13.651 11.282 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.306 -13.405 9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.034 -13.488 9.979 1.00 0.00 H new ATOM 1159 N LYS A 81 1.918 -9.571 12.072 1.00 0.00 N ATOM 1160 CA LYS A 81 1.497 -8.177 12.157 1.00 0.00 C ATOM 1161 C LYS A 81 0.217 -8.036 12.972 1.00 0.00 C ATOM 1162 O LYS A 81 -0.520 -9.003 13.165 1.00 0.00 O ATOM 1163 CB LYS A 81 1.284 -7.606 10.755 1.00 0.00 C ATOM 1164 CG LYS A 81 2.574 -7.364 9.992 1.00 0.00 C ATOM 1165 CD LYS A 81 3.319 -6.152 10.527 1.00 0.00 C ATOM 1166 CE LYS A 81 4.653 -5.970 9.825 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.369 -4.753 10.298 1.00 0.00 N ATOM 0 H LYS A 81 1.231 -10.194 11.648 1.00 0.00 H new ATOM 0 HA LYS A 81 2.286 -7.618 12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.658 -8.292 10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.737 -6.666 10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.211 -8.245 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.351 -7.218 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.709 -5.259 10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.482 -6.267 11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.276 -6.848 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.491 -5.900 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.275 -4.665 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.786 -3.912 10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.547 -4.830 11.320 1.00 0.00 H new ATOM 1181 N SER A 82 -0.038 -6.822 13.448 1.00 0.00 N ATOM 1182 CA SER A 82 -1.233 -6.538 14.232 1.00 0.00 C ATOM 1183 C SER A 82 -2.168 -5.620 13.453 1.00 0.00 C ATOM 1184 O SER A 82 -3.367 -5.876 13.349 1.00 0.00 O ATOM 1185 CB SER A 82 -0.856 -5.892 15.566 1.00 0.00 C ATOM 1186 OG SER A 82 -2.008 -5.609 16.341 1.00 0.00 O ATOM 0 H SER A 82 0.570 -6.016 13.303 1.00 0.00 H new ATOM 0 HA SER A 82 -1.747 -7.478 14.432 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.195 -6.557 16.121 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.302 -4.971 15.384 1.00 0.00 H new ATOM 0 HG SER A 82 -1.739 -5.198 17.189 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.604 -4.548 12.906 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.371 -3.588 12.123 1.00 0.00 C ATOM 1194 C PHE A 83 -2.143 -3.830 10.634 1.00 0.00 C ATOM 1195 O PHE A 83 -1.120 -3.424 10.083 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.959 -2.161 12.484 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.849 -1.911 13.961 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.924 -2.148 14.804 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.667 -1.435 14.506 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.820 -1.916 16.163 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.557 -1.200 15.863 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.636 -1.441 16.693 1.00 0.00 C ATOM 0 H PHE A 83 -0.613 -4.322 12.992 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.429 -3.718 12.350 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.999 -1.942 12.017 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.685 -1.466 12.062 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.853 -2.518 14.395 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.179 -1.245 13.862 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.664 -2.106 16.810 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.370 -0.829 16.275 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.553 -1.258 17.754 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.094 -4.495 9.983 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.967 -4.795 8.561 1.00 0.00 C ATOM 1214 C VAL A 84 -4.176 -4.306 7.768 1.00 0.00 C ATOM 1215 O VAL A 84 -5.263 -4.138 8.313 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.783 -6.315 8.332 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.965 -6.687 6.867 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.421 -6.769 8.829 1.00 0.00 C ATOM 0 H VAL A 84 -3.954 -4.834 10.414 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.084 -4.265 8.204 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.555 -6.830 8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.829 -7.761 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.968 -6.409 6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.229 -6.157 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.310 -7.840 8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.640 -6.234 8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.334 -6.560 9.895 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.957 -4.053 6.481 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.013 -3.612 5.575 1.00 0.00 C ATOM 1230 C PHE A 85 -4.899 -4.376 4.261 1.00 0.00 C ATOM 1231 O PHE A 85 -3.822 -4.445 3.670 1.00 0.00 O ATOM 1232 CB PHE A 85 -4.920 -2.108 5.312 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.473 -1.254 6.417 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.804 -1.132 7.623 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.661 -0.564 6.241 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.309 -0.336 8.633 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.172 0.230 7.247 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.497 0.346 8.445 1.00 0.00 C ATOM 0 H PHE A 85 -3.044 -4.148 6.037 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.978 -3.814 6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.875 -1.843 5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.453 -1.878 4.389 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.877 -1.665 7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.194 -0.648 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.776 -0.247 9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.100 0.761 7.097 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.895 0.968 9.233 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.006 -4.948 3.805 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.000 -5.728 2.575 1.00 0.00 C ATOM 1250 C ILE A 86 -6.764 -5.042 1.448 1.00 0.00 C ATOM 1251 O ILE A 86 -7.854 -4.509 1.653 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.618 -7.120 2.803 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -5.959 -7.809 3.998 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.481 -7.974 1.550 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.715 -9.027 4.480 1.00 0.00 C ATOM 0 H ILE A 86 -6.914 -4.887 4.265 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.954 -5.822 2.283 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.679 -6.996 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.946 -8.104 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.873 -7.096 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.923 -8.955 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.996 -7.489 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.426 -8.091 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.192 -9.467 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.720 -8.735 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.778 -9.758 3.674 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.176 -5.061 0.256 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.807 -4.481 -0.920 1.00 0.00 C ATOM 1269 C LEU A 87 -7.457 -5.583 -1.746 1.00 0.00 C ATOM 1270 O LEU A 87 -6.804 -6.561 -2.113 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.788 -3.722 -1.775 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.342 -2.369 -1.215 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.313 -1.728 -2.134 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.537 -1.446 -1.031 1.00 0.00 C ATOM 0 H LEU A 87 -5.260 -5.474 0.081 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.567 -3.773 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.907 -4.351 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.215 -3.564 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.882 -2.535 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.006 -0.767 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.444 -2.381 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.751 -1.577 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.200 -0.489 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.025 -1.287 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.244 -1.900 -0.336 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.742 -5.421 -2.035 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.478 -6.413 -2.805 1.00 0.00 C ATOM 1288 C GLU A 88 -9.863 -5.851 -4.170 1.00 0.00 C ATOM 1289 O GLU A 88 -10.763 -5.018 -4.272 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.728 -6.855 -2.040 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.430 -7.411 -0.657 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.681 -7.858 0.074 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.298 -7.019 0.762 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.043 -9.048 -0.043 1.00 0.00 O ATOM 0 H GLU A 88 -9.295 -4.613 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.836 -7.281 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.404 -6.005 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.251 -7.613 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.746 -8.255 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.920 -6.650 -0.066 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.188 -6.305 -5.241 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.453 -5.828 -6.601 1.00 0.00 C ATOM 1303 C PRO A 89 -10.901 -6.023 -7.026 1.00 0.00 C ATOM 1304 O PRO A 89 -11.600 -6.901 -6.520 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.525 -6.675 -7.477 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.126 -7.832 -6.627 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.124 -7.322 -5.218 1.00 0.00 C ATOM 0 HA PRO A 89 -9.277 -4.755 -6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.034 -7.009 -8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.654 -6.102 -7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.825 -8.661 -6.742 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.141 -8.204 -6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.336 -8.114 -4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.160 -6.894 -4.944 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.341 -5.190 -7.962 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.701 -5.254 -8.476 1.00 0.00 C ATOM 1317 C LYS A 90 -12.694 -5.351 -9.996 1.00 0.00 C ATOM 1318 O LYS A 90 -13.749 -5.388 -10.629 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.491 -4.017 -8.045 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.438 -3.750 -6.549 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.176 -2.472 -6.180 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.669 -2.589 -6.445 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.399 -1.348 -6.064 1.00 0.00 N ATOM 0 H LYS A 90 -10.769 -4.457 -8.382 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.178 -6.144 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.104 -3.147 -8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.531 -4.137 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.877 -4.592 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.399 -3.676 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.010 -2.247 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.769 -1.638 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.835 -2.798 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.072 -3.434 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.413 -1.468 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.262 -1.162 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.032 -0.546 -6.616 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.497 -5.390 -10.578 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.362 -5.473 -12.028 1.00 0.00 C ATOM 1339 C GLN A 91 -11.980 -6.760 -12.566 1.00 0.00 C ATOM 1340 O GLN A 91 -12.865 -6.723 -13.421 1.00 0.00 O ATOM 1341 CB GLN A 91 -9.890 -5.381 -12.438 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.675 -5.451 -13.942 1.00 0.00 C ATOM 1343 CD GLN A 91 -8.262 -5.080 -14.349 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -7.311 -5.284 -13.596 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -8.118 -4.532 -15.551 1.00 0.00 N ATOM 0 H GLN A 91 -10.613 -5.366 -10.070 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.900 -4.630 -12.461 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.474 -4.446 -12.062 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.337 -6.190 -11.962 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.896 -6.460 -14.290 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.379 -4.782 -14.437 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.934 -4.381 -16.144 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.191 -4.263 -15.881 1.00 0.00 H new ATOM 1354 N GLN A 92 -11.511 -7.895 -12.062 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.022 -9.193 -12.496 1.00 0.00 C ATOM 1356 C GLN A 92 -11.577 -10.304 -11.550 1.00 0.00 C ATOM 1357 O GLN A 92 -12.339 -10.738 -10.685 1.00 0.00 O ATOM 1358 CB GLN A 92 -11.554 -9.500 -13.921 1.00 0.00 C ATOM 1359 CG GLN A 92 -12.694 -9.651 -14.914 1.00 0.00 C ATOM 1360 CD GLN A 92 -12.207 -9.933 -16.322 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -11.972 -9.012 -17.105 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -12.051 -11.210 -16.652 1.00 0.00 N ATOM 0 H GLN A 92 -10.779 -7.945 -11.353 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.111 -9.147 -12.480 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.893 -8.702 -14.258 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.966 -10.418 -13.912 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.348 -10.461 -14.591 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.292 -8.740 -14.916 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.257 -11.941 -15.972 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.725 -11.459 -17.586 1.00 0.00 H new ATOM 1371 N GLY A 93 -10.339 -10.759 -11.719 1.00 0.00 N ATOM 1372 CA GLY A 93 -9.813 -11.816 -10.875 1.00 0.00 C ATOM 1373 C GLY A 93 -8.409 -11.518 -10.393 1.00 0.00 C ATOM 1374 O GLY A 93 -7.622 -12.432 -10.146 1.00 0.00 O ATOM 0 H GLY A 93 -9.690 -10.414 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.469 -11.953 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.814 -12.755 -11.429 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.096 -10.234 -10.259 1.00 0.00 N ATOM 1379 CA ASP A 94 -6.777 -9.807 -9.806 1.00 0.00 C ATOM 1380 C ASP A 94 -6.500 -10.320 -8.392 1.00 0.00 C ATOM 1381 O ASP A 94 -7.426 -10.660 -7.657 1.00 0.00 O ATOM 1382 CB ASP A 94 -6.676 -8.281 -9.841 1.00 0.00 C ATOM 1383 CG ASP A 94 -7.681 -7.657 -10.788 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -8.864 -7.542 -10.406 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.286 -7.286 -11.912 1.00 0.00 O ATOM 0 H ASP A 94 -8.740 -9.468 -10.458 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.029 -10.227 -10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.833 -7.886 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.669 -7.993 -10.143 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.215 -10.382 -7.994 1.00 0.00 N ATOM 1391 CA PRO A 95 -4.818 -10.859 -6.671 1.00 0.00 C ATOM 1392 C PRO A 95 -4.822 -9.755 -5.613 1.00 0.00 C ATOM 1393 O PRO A 95 -4.478 -8.609 -5.902 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.396 -11.348 -6.920 1.00 0.00 C ATOM 1395 CG PRO A 95 -2.867 -10.428 -7.969 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.045 -10.001 -8.808 1.00 0.00 C ATOM 0 HA PRO A 95 -5.501 -11.613 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.795 -11.303 -6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.385 -12.384 -7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.381 -9.564 -7.516 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.118 -10.930 -8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.027 -8.929 -9.006 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.050 -10.504 -9.775 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.215 -10.085 -4.365 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.251 -9.119 -3.261 1.00 0.00 C ATOM 1406 C PRO A 96 -3.848 -8.722 -2.808 1.00 0.00 C ATOM 1407 O PRO A 96 -2.864 -9.360 -3.183 1.00 0.00 O ATOM 1408 CB PRO A 96 -5.980 -9.867 -2.134 1.00 0.00 C ATOM 1409 CG PRO A 96 -6.556 -11.090 -2.768 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.664 -11.414 -3.929 1.00 0.00 C ATOM 0 HA PRO A 96 -5.743 -8.191 -3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.293 -10.130 -1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.762 -9.248 -1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.590 -11.918 -2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.579 -10.912 -3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.828 -12.048 -3.634 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.200 -11.940 -4.718 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.759 -7.668 -1.999 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.469 -7.198 -1.501 1.00 0.00 C ATOM 1420 C VAL A 97 -2.558 -6.779 -0.035 1.00 0.00 C ATOM 1421 O VAL A 97 -3.395 -5.956 0.335 1.00 0.00 O ATOM 1422 CB VAL A 97 -1.943 -6.009 -2.331 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.556 -5.599 -1.859 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -1.928 -6.352 -3.812 1.00 0.00 C ATOM 0 H VAL A 97 -4.561 -7.126 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.775 -8.034 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.617 -5.165 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.202 -4.759 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.601 -5.305 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.130 -6.439 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.554 -5.500 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.280 -7.212 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.940 -6.590 -4.141 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.687 -7.350 0.795 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.665 -7.036 2.220 1.00 0.00 C ATOM 1436 C GLU A 98 -0.647 -5.942 2.528 1.00 0.00 C ATOM 1437 O GLU A 98 0.425 -5.888 1.923 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.330 -8.286 3.037 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.445 -9.315 3.076 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.777 -9.875 1.707 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.139 -10.870 1.302 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.674 -9.321 1.040 1.00 0.00 O ATOM 0 H GLU A 98 -0.987 -8.033 0.504 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.657 -6.677 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.436 -8.750 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.089 -7.987 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.156 -10.132 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.338 -8.860 3.504 1.00 0.00 H new ATOM 1449 N PHE A 99 -0.992 -5.072 3.471 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.108 -3.982 3.877 1.00 0.00 C ATOM 1451 C PHE A 99 0.034 -3.942 5.397 1.00 0.00 C ATOM 1452 O PHE A 99 -0.788 -4.506 6.118 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.652 -2.641 3.385 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.794 -2.534 1.894 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.828 -3.178 1.234 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.099 -1.776 1.155 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.967 -3.070 -0.135 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.034 -1.666 -0.217 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.068 -2.314 -0.862 1.00 0.00 C ATOM 0 H PHE A 99 -1.881 -5.100 3.971 1.00 0.00 H new ATOM 0 HA PHE A 99 0.871 -4.160 3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.626 -2.469 3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.008 -1.846 3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.533 -3.771 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.908 -1.265 1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.778 -3.576 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.670 -1.074 -0.783 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.174 -2.230 -1.934 1.00 0.00 H new ATOM 1469 N ALA A 100 1.079 -3.272 5.880 1.00 0.00 N ATOM 1470 CA ALA A 100 1.307 -3.159 7.318 1.00 0.00 C ATOM 1471 C ALA A 100 2.209 -1.973 7.652 1.00 0.00 C ATOM 1472 O ALA A 100 2.892 -1.434 6.781 1.00 0.00 O ATOM 1473 CB ALA A 100 1.906 -4.448 7.861 1.00 0.00 C ATOM 0 H ALA A 100 1.776 -2.803 5.301 1.00 0.00 H new ATOM 0 HA ALA A 100 0.342 -2.987 7.795 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.071 -4.349 8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.221 -5.275 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.856 -4.645 7.365 1.00 0.00 H new ATOM 1479 N THR A 101 2.202 -1.575 8.922 1.00 0.00 N ATOM 1480 CA THR A 101 3.019 -0.456 9.385 1.00 0.00 C ATOM 1481 C THR A 101 3.604 -0.744 10.764 1.00 0.00 C ATOM 1482 O THR A 101 3.514 -1.865 11.266 1.00 0.00 O ATOM 1483 CB THR A 101 2.208 0.852 9.449 1.00 0.00 C ATOM 1484 OG1 THR A 101 1.004 0.649 10.197 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.867 1.351 8.052 1.00 0.00 C ATOM 0 H THR A 101 1.638 -2.012 9.651 1.00 0.00 H new ATOM 0 HA THR A 101 3.826 -0.335 8.663 1.00 0.00 H new ATOM 0 HB THR A 101 2.820 1.605 9.945 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.065 1.125 11.051 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.294 2.276 8.126 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.787 1.537 7.497 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.275 0.598 7.531 1.00 0.00 H new ATOM 1493 N ASP A 102 4.202 0.275 11.374 1.00 0.00 N ATOM 1494 CA ASP A 102 4.803 0.131 12.696 1.00 0.00 C ATOM 1495 C ASP A 102 4.311 1.221 13.643 1.00 0.00 C ATOM 1496 O ASP A 102 4.753 1.305 14.788 1.00 0.00 O ATOM 1497 CB ASP A 102 6.328 0.183 12.593 1.00 0.00 C ATOM 1498 CG ASP A 102 6.899 -0.997 11.832 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.038 -0.894 10.595 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.208 -2.023 12.473 1.00 0.00 O ATOM 0 H ASP A 102 4.283 1.210 10.974 1.00 0.00 H new ATOM 0 HA ASP A 102 4.503 -0.836 13.098 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.624 1.108 12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.756 0.206 13.595 1.00 0.00 H new ATOM 1505 N ARG A 103 3.392 2.050 13.160 1.00 0.00 N ATOM 1506 CA ARG A 103 2.844 3.138 13.962 1.00 0.00 C ATOM 1507 C ARG A 103 1.376 3.382 13.623 1.00 0.00 C ATOM 1508 O ARG A 103 0.939 3.135 12.498 1.00 0.00 O ATOM 1509 CB ARG A 103 3.649 4.420 13.737 1.00 0.00 C ATOM 1510 CG ARG A 103 5.074 4.353 14.264 1.00 0.00 C ATOM 1511 CD ARG A 103 5.134 4.618 15.761 1.00 0.00 C ATOM 1512 NE ARG A 103 4.451 3.585 16.532 1.00 0.00 N ATOM 1513 CZ ARG A 103 4.227 3.668 17.841 1.00 0.00 C ATOM 1514 NH1 ARG A 103 4.630 4.734 18.519 1.00 0.00 N ATOM 1515 NH2 ARG A 103 3.599 2.685 18.472 1.00 0.00 N ATOM 0 H ARG A 103 3.010 1.989 12.216 1.00 0.00 H new ATOM 0 HA ARG A 103 2.913 2.851 15.011 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.677 4.637 12.669 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.133 5.251 14.218 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.495 3.370 14.051 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.690 5.084 13.740 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.176 4.675 16.077 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.683 5.587 15.975 1.00 0.00 H new ATOM 0 HE ARG A 103 4.127 2.752 16.040 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.113 5.492 18.037 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.457 4.796 19.522 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.287 1.864 17.954 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.428 2.750 19.475 1.00 0.00 H new ATOM 1529 N VAL A 104 0.620 3.867 14.604 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.797 4.147 14.411 1.00 0.00 C ATOM 1531 C VAL A 104 -1.001 5.360 13.510 1.00 0.00 C ATOM 1532 O VAL A 104 -2.009 5.465 12.811 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.510 4.392 15.755 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.510 3.126 16.598 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -0.858 5.542 16.505 1.00 0.00 C ATOM 0 H VAL A 104 0.967 4.074 15.541 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.230 3.268 13.934 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.545 4.665 15.551 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.018 3.318 17.543 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.030 2.332 16.062 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.483 2.819 16.794 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.376 5.699 17.451 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.188 5.304 16.699 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.918 6.449 15.904 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.037 6.277 13.531 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.110 7.483 12.715 1.00 0.00 C ATOM 1547 C GLU A 105 0.079 7.149 11.239 1.00 0.00 C ATOM 1548 O GLU A 105 -0.741 7.523 10.401 1.00 0.00 O ATOM 1549 CB GLU A 105 0.947 8.494 13.163 1.00 0.00 C ATOM 1550 CG GLU A 105 0.799 8.930 14.612 1.00 0.00 C ATOM 1551 CD GLU A 105 -0.531 9.605 14.885 1.00 0.00 C ATOM 1552 OE1 GLU A 105 -0.611 10.842 14.734 1.00 0.00 O ATOM 1553 OE2 GLU A 105 -1.493 8.896 15.251 1.00 0.00 O ATOM 0 H GLU A 105 0.803 6.207 14.105 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.098 7.923 12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.936 8.058 13.023 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.892 9.373 12.521 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.901 8.061 15.261 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.608 9.614 14.866 1.00 0.00 H new ATOM 1560 N GLU A 106 1.164 6.446 10.929 1.00 0.00 N ATOM 1561 CA GLU A 106 1.452 6.059 9.552 1.00 0.00 C ATOM 1562 C GLU A 106 0.341 5.172 9.005 1.00 0.00 C ATOM 1563 O GLU A 106 0.068 5.165 7.805 1.00 0.00 O ATOM 1564 CB GLU A 106 2.789 5.317 9.472 1.00 0.00 C ATOM 1565 CG GLU A 106 3.955 6.089 10.065 1.00 0.00 C ATOM 1566 CD GLU A 106 4.198 7.411 9.363 1.00 0.00 C ATOM 1567 OE1 GLU A 106 3.605 8.426 9.786 1.00 0.00 O ATOM 1568 OE2 GLU A 106 4.981 7.432 8.390 1.00 0.00 O ATOM 0 H GLU A 106 1.856 6.134 11.610 1.00 0.00 H new ATOM 0 HA GLU A 106 1.513 6.966 8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.696 4.363 9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.007 5.092 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.764 6.273 11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.857 5.480 10.006 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.297 4.423 9.899 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.380 3.528 9.517 1.00 0.00 C ATOM 1577 C LEU A 107 -2.595 4.319 9.050 1.00 0.00 C ATOM 1578 O LEU A 107 -3.071 4.146 7.931 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.774 2.638 10.699 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.759 1.517 10.364 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.018 0.209 10.150 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.796 1.362 11.464 1.00 0.00 C ATOM 0 H LEU A 107 -0.081 4.419 10.896 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.029 2.904 8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.871 2.194 11.117 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.211 3.265 11.477 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.276 1.782 9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.732 -0.579 9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.313 0.321 9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.476 -0.055 11.058 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.485 0.559 11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.297 1.122 12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.350 2.294 11.576 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.082 5.199 9.914 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.250 6.009 9.601 1.00 0.00 C ATOM 1596 C PHE A 108 -3.963 6.992 8.472 1.00 0.00 C ATOM 1597 O PHE A 108 -4.862 7.377 7.739 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.716 6.773 10.842 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.180 6.610 11.132 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.646 5.494 11.809 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.091 7.572 10.727 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -7.992 5.341 12.077 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.440 7.425 10.993 1.00 0.00 C ATOM 1604 CZ PHE A 108 -8.891 6.308 11.668 1.00 0.00 C ATOM 0 H PHE A 108 -2.685 5.370 10.838 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.039 5.333 9.273 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.143 6.433 11.705 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.496 7.832 10.711 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.948 4.735 12.131 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.744 8.447 10.197 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.342 4.467 12.606 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.140 8.183 10.673 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.944 6.190 11.876 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.709 7.394 8.329 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.336 8.351 7.291 1.00 0.00 C ATOM 1616 C GLU A 109 -2.341 7.718 5.899 1.00 0.00 C ATOM 1617 O GLU A 109 -3.067 8.160 5.005 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.951 8.926 7.592 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.501 9.990 6.606 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.375 11.228 6.645 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -2.386 11.264 5.912 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -1.049 12.161 7.408 1.00 0.00 O ATOM 0 H GLU A 109 -1.935 7.077 8.913 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.080 9.148 7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.955 9.352 8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.223 8.114 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.529 10.270 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.511 9.574 5.599 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.544 6.670 5.730 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.427 5.987 4.444 1.00 0.00 C ATOM 1631 C TRP A 110 -2.701 5.240 4.056 1.00 0.00 C ATOM 1632 O TRP A 110 -3.198 5.385 2.940 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.260 5.000 4.487 1.00 0.00 C ATOM 1634 CG TRP A 110 1.038 5.579 4.022 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.062 6.035 4.802 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.455 5.761 2.665 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.090 6.488 4.011 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.741 6.331 2.696 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.865 5.496 1.426 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.446 6.638 1.538 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.567 5.803 0.275 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.846 6.369 0.339 1.00 0.00 C ATOM 0 H TRP A 110 -0.966 6.272 6.470 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.253 6.755 3.691 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.140 4.638 5.508 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.504 4.136 3.869 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.064 6.039 5.882 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.970 6.878 4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.121 5.059 1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.433 7.074 1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.122 5.603 -0.688 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.370 6.598 -0.577 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.222 4.446 4.980 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.412 3.642 4.719 1.00 0.00 C ATOM 1655 C PHE A 111 -5.664 4.485 4.517 1.00 0.00 C ATOM 1656 O PHE A 111 -6.468 4.192 3.632 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.596 2.626 5.839 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.505 1.596 5.817 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.285 0.849 4.672 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.684 1.393 6.911 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.273 -0.083 4.620 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.663 0.461 6.863 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.459 -0.278 5.716 1.00 0.00 C ATOM 0 H PHE A 111 -2.840 4.340 5.920 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.258 3.115 3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.599 3.137 6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.565 2.137 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.916 0.999 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.841 1.968 7.812 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.117 -0.661 3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.026 0.312 7.722 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.664 -1.008 5.677 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.842 5.524 5.322 1.00 0.00 N ATOM 1674 CA GLN A 112 -7.008 6.382 5.170 1.00 0.00 C ATOM 1675 C GLN A 112 -6.989 7.029 3.792 1.00 0.00 C ATOM 1676 O GLN A 112 -8.034 7.226 3.176 1.00 0.00 O ATOM 1677 CB GLN A 112 -7.042 7.445 6.263 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.319 8.258 6.293 1.00 0.00 C ATOM 1679 CD GLN A 112 -9.557 7.399 6.455 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.993 7.121 7.572 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -10.133 6.972 5.336 1.00 0.00 N ATOM 0 H GLN A 112 -5.206 5.790 6.074 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.909 5.776 5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.909 6.961 7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.197 8.120 6.125 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.269 8.974 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.400 8.834 5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.739 7.226 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.970 6.390 5.383 1.00 0.00 H new ATOM 1690 N SER A 113 -5.789 7.356 3.313 1.00 0.00 N ATOM 1691 CA SER A 113 -5.633 7.952 1.990 1.00 0.00 C ATOM 1692 C SER A 113 -5.989 6.931 0.916 1.00 0.00 C ATOM 1693 O SER A 113 -6.672 7.253 -0.056 1.00 0.00 O ATOM 1694 CB SER A 113 -4.202 8.453 1.790 1.00 0.00 C ATOM 1695 OG SER A 113 -3.876 9.456 2.736 1.00 0.00 O ATOM 0 H SER A 113 -4.915 7.218 3.820 1.00 0.00 H new ATOM 0 HA SER A 113 -6.308 8.804 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.505 7.620 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.090 8.850 0.781 1.00 0.00 H new ATOM 0 HG SER A 113 -3.596 9.035 3.576 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.516 5.696 1.092 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.822 4.632 0.145 1.00 0.00 C ATOM 1703 C ILE A 114 -7.333 4.468 0.054 1.00 0.00 C ATOM 1704 O ILE A 114 -7.880 4.157 -1.005 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.177 3.287 0.556 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.647 3.379 0.472 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.695 2.156 -0.324 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.929 2.097 0.854 1.00 0.00 C ATOM 0 H ILE A 114 -4.926 5.413 1.874 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.408 4.911 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.453 3.072 1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.365 3.652 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.305 4.183 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.231 1.217 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.777 2.077 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.448 2.363 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.852 2.244 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.179 1.832 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.240 1.293 0.186 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.998 4.691 1.185 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.451 4.604 1.262 1.00 0.00 C ATOM 1722 C ARG A 115 -10.081 5.845 0.639 1.00 0.00 C ATOM 1723 O ARG A 115 -11.151 5.780 0.038 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.898 4.475 2.720 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.590 3.123 3.341 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.149 3.023 4.752 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.908 1.713 5.350 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.597 1.235 6.382 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.567 1.958 6.927 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.320 0.033 6.867 1.00 0.00 N ATOM 0 H ARG A 115 -7.547 4.935 2.067 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.777 3.721 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.413 5.253 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.972 4.654 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -10.014 2.331 2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.511 2.968 3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.696 3.794 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.221 3.219 4.731 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.169 1.132 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.785 2.882 6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.094 1.590 7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.577 -0.527 6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.850 -0.332 7.659 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.397 6.974 0.784 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.874 8.241 0.247 1.00 0.00 C ATOM 1746 C GLU A 116 -10.091 8.155 -1.261 1.00 0.00 C ATOM 1747 O GLU A 116 -10.804 8.974 -1.843 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.877 9.357 0.575 1.00 0.00 C ATOM 1749 CG GLU A 116 -9.035 9.923 1.978 1.00 0.00 C ATOM 1750 CD GLU A 116 -8.052 11.039 2.270 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -8.354 12.202 1.930 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -6.980 10.750 2.843 1.00 0.00 O ATOM 0 H GLU A 116 -8.504 7.036 1.273 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.833 8.468 0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.864 8.973 0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.996 10.163 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.051 10.297 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.898 9.123 2.706 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.470 7.161 -1.890 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.596 6.973 -3.331 1.00 0.00 C ATOM 1761 C ILE A 117 -10.438 5.742 -3.665 1.00 0.00 C ATOM 1762 O ILE A 117 -11.122 5.707 -4.688 1.00 0.00 O ATOM 1763 CB ILE A 117 -8.212 6.836 -3.995 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.333 8.036 -3.636 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.357 6.713 -5.505 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.883 7.871 -4.036 1.00 0.00 C ATOM 0 H ILE A 117 -8.876 6.475 -1.425 1.00 0.00 H new ATOM 0 HA ILE A 117 -10.097 7.858 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.733 5.931 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.735 8.927 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.387 8.205 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.371 6.617 -5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.953 5.832 -5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.852 7.602 -5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.323 8.761 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.463 7.000 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.817 7.733 -5.115 1.00 0.00 H new ATOM 1778 N THR A 118 -10.387 4.735 -2.796 1.00 0.00 N ATOM 1779 CA THR A 118 -11.137 3.500 -3.011 1.00 0.00 C ATOM 1780 C THR A 118 -12.329 3.389 -2.064 1.00 0.00 C ATOM 1781 O THR A 118 -12.811 2.290 -1.788 1.00 0.00 O ATOM 1782 CB THR A 118 -10.240 2.263 -2.818 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.731 2.234 -1.480 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.082 2.272 -3.803 1.00 0.00 C ATOM 0 H THR A 118 -9.835 4.750 -1.938 1.00 0.00 H new ATOM 0 HA THR A 118 -11.499 3.535 -4.038 1.00 0.00 H new ATOM 0 HB THR A 118 -10.843 1.373 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.068 2.947 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.464 1.388 -3.646 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.471 2.267 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.480 3.168 -3.649 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.808 4.527 -1.573 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.943 4.540 -0.655 1.00 0.00 C ATOM 1794 C TRP A 119 -14.568 5.930 -0.570 1.00 0.00 C ATOM 1795 O TRP A 119 -15.780 6.064 -0.396 1.00 0.00 O ATOM 1796 CB TRP A 119 -13.498 4.066 0.732 1.00 0.00 C ATOM 1797 CG TRP A 119 -14.499 4.329 1.813 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -14.357 5.188 2.863 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -15.792 3.731 1.954 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.480 5.160 3.652 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -16.378 4.274 3.114 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -16.512 2.789 1.214 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -17.649 3.907 3.548 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -17.774 2.426 1.647 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -18.331 2.985 2.804 1.00 0.00 C ATOM 0 H TRP A 119 -12.431 5.449 -1.793 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.702 3.858 -1.038 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.294 2.996 0.691 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.561 4.559 0.990 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.487 5.801 3.047 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.623 5.709 4.500 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.090 2.353 0.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -18.081 4.335 4.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -18.340 1.699 1.083 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -19.320 2.681 3.115 1.00 0.00 H new ATOM 1816 N LYS A 120 -13.740 6.963 -0.694 1.00 0.00 N ATOM 1817 CA LYS A 120 -14.222 8.338 -0.630 1.00 0.00 C ATOM 1818 C LYS A 120 -14.312 8.947 -2.026 1.00 0.00 C ATOM 1819 O LYS A 120 -13.474 8.675 -2.887 1.00 0.00 O ATOM 1820 CB LYS A 120 -13.302 9.186 0.251 1.00 0.00 C ATOM 1821 CG LYS A 120 -13.772 10.623 0.418 1.00 0.00 C ATOM 1822 CD LYS A 120 -12.821 11.428 1.291 1.00 0.00 C ATOM 1823 CE LYS A 120 -12.811 10.924 2.725 1.00 0.00 C ATOM 1824 NZ LYS A 120 -11.899 11.723 3.589 1.00 0.00 N ATOM 0 H LYS A 120 -12.734 6.874 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 120 -15.220 8.326 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -13.225 8.721 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -12.301 9.188 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -13.855 11.095 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -14.768 10.631 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -11.813 11.372 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -13.114 12.478 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -13.822 10.963 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -12.502 9.879 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -11.654 11.173 4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -11.032 11.950 3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -12.373 12.604 3.872 1.00 0.00 H new ATOM 1838 N ILE A 121 -15.333 9.769 -2.242 1.00 0.00 N ATOM 1839 CA ILE A 121 -15.535 10.416 -3.533 1.00 0.00 C ATOM 1840 C ILE A 121 -15.424 11.931 -3.408 1.00 0.00 C ATOM 1841 O ILE A 121 -16.369 12.602 -2.992 1.00 0.00 O ATOM 1842 CB ILE A 121 -16.910 10.058 -4.133 1.00 0.00 C ATOM 1843 CG1 ILE A 121 -17.077 8.537 -4.227 1.00 0.00 C ATOM 1844 CG2 ILE A 121 -17.079 10.703 -5.503 1.00 0.00 C ATOM 1845 CD1 ILE A 121 -16.046 7.861 -5.107 1.00 0.00 C ATOM 0 H ILE A 121 -16.034 10.003 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 121 -14.753 10.050 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 121 -17.686 10.447 -3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -17.020 8.112 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -18.072 8.313 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -18.055 10.440 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -17.006 11.786 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -16.297 10.345 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -16.230 6.787 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -16.117 8.257 -6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -15.048 8.052 -4.712 1.00 0.00 H new ATOM 1857 N ASP A 122 -14.260 12.464 -3.766 1.00 0.00 N ATOM 1858 CA ASP A 122 -14.020 13.901 -3.695 1.00 0.00 C ATOM 1859 C ASP A 122 -13.307 14.396 -4.949 1.00 0.00 C ATOM 1860 O ASP A 122 -12.110 14.166 -5.125 1.00 0.00 O ATOM 1861 CB ASP A 122 -13.193 14.240 -2.455 1.00 0.00 C ATOM 1862 CG ASP A 122 -12.890 15.721 -2.347 1.00 0.00 C ATOM 1863 OD1 ASP A 122 -13.706 16.452 -1.749 1.00 0.00 O ATOM 1864 OD2 ASP A 122 -11.836 16.150 -2.862 1.00 0.00 O ATOM 0 H ASP A 122 -13.467 11.921 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.985 14.403 -3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -13.731 13.916 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -12.257 13.682 -2.483 1.00 0.00 H new ATOM 1869 N THR A 123 -14.050 15.076 -5.817 1.00 0.00 N ATOM 1870 CA THR A 123 -13.489 15.605 -7.055 1.00 0.00 C ATOM 1871 C THR A 123 -14.050 16.990 -7.365 1.00 0.00 C ATOM 1872 O THR A 123 -13.658 17.622 -8.346 1.00 0.00 O ATOM 1873 CB THR A 123 -13.773 14.672 -8.246 1.00 0.00 C ATOM 1874 OG1 THR A 123 -15.184 14.473 -8.388 1.00 0.00 O ATOM 1875 CG2 THR A 123 -13.084 13.329 -8.061 1.00 0.00 C ATOM 0 H THR A 123 -15.042 15.273 -5.686 1.00 0.00 H new ATOM 0 HA THR A 123 -12.411 15.675 -6.908 1.00 0.00 H new ATOM 0 HB THR A 123 -13.379 15.143 -9.147 1.00 0.00 H new ATOM 0 HG1 THR A 123 -15.356 13.880 -9.149 1.00 0.00 H new ATOM 0 HG21 THR A 123 -13.300 12.688 -8.916 1.00 0.00 H new ATOM 0 HG22 THR A 123 -12.007 13.480 -7.984 1.00 0.00 H new ATOM 0 HG23 THR A 123 -13.450 12.855 -7.150 1.00 0.00 H new ATOM 1883 N LYS A 124 -14.971 17.452 -6.522 1.00 0.00 N ATOM 1884 CA LYS A 124 -15.592 18.761 -6.702 1.00 0.00 C ATOM 1885 C LYS A 124 -16.263 18.864 -8.069 1.00 0.00 C ATOM 1886 O LYS A 124 -15.602 19.331 -9.020 1.00 0.00 O ATOM 1887 CB LYS A 124 -14.554 19.876 -6.544 1.00 0.00 C ATOM 1888 CG LYS A 124 -14.130 20.125 -5.102 1.00 0.00 C ATOM 1889 CD LYS A 124 -13.312 18.970 -4.547 1.00 0.00 C ATOM 1890 CE LYS A 124 -12.873 19.236 -3.117 1.00 0.00 C ATOM 1891 NZ LYS A 124 -12.030 20.460 -3.013 1.00 0.00 N ATOM 1892 OXT LYS A 124 -17.446 18.475 -8.177 1.00 0.00 O ATOM 0 H LYS A 124 -15.304 16.938 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 124 -16.355 18.877 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -13.672 19.624 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -14.961 20.799 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -13.545 21.043 -5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -15.015 20.274 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -13.902 18.054 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -12.435 18.809 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -13.752 19.346 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.315 18.378 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.546 20.471 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.323 20.461 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.632 21.304 -3.098 1.00 0.00 H new TER 1906 LYS A 124