USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 914 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 81 LYS NZ :NH3+ 161:sc= 0.00648 (180deg=0) USER MOD Set 1.2: A 83 THR OG1 : rot -61:sc= 1.3 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 HIS : no HE2:sc= 1.18 K(o=1.5,f=-3.7!) USER MOD Set 2.3: A 44 SER OG : rot -42:sc= 0.301 USER MOD Set 3.1: A 9 LYS NZ :NH3+ -169:sc= 0.939 (180deg=0) USER MOD Set 3.2: A 114 SER OG : rot -150:sc= 0.418 USER MOD Single : A 1 ARG N :NH3+ -118:sc= 0.224 (180deg=-0.923) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.21) USER MOD Single : A 5 TYR OH : rot 130:sc= -0.0118 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 10:sc= 0.201 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.892 X(o=-0.89,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.933 K(o=-0.93,f=-0.11) USER MOD Single : A 21 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.024) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -120:sc= -0.132 USER MOD Single : A 53 THR OG1 : rot -73:sc= 0.858 USER MOD Single : A 55 GLN : amide:sc= 0.581 K(o=0.58,f=-0.27) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.29 K(o=1.6,f=-5.2!) USER MOD Single : A 60 THR OG1 : rot -147:sc= 1.05 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.745 K(o=-0.75,f=-0.027) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -45:sc= 1.36 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.057) USER MOD Single : A 79 LYS NZ :NH3+ -130:sc= 0.249 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.878 K(o=0.88,f=-0.23) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 131:sc= 0.716 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00914) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -121:sc= 0.366 (180deg=-1.16) USER MOD Single : A 104 ASN : amide:sc= -2.6! X(o=-2.6!,f=-2.8) USER MOD Single : A 107 THR OG1 : rot -123:sc= 0.807 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.877 -8.110 16.975 1.00 0.00 N ATOM 2 CA ARG A 1 17.785 -7.826 15.823 1.00 0.00 C ATOM 3 C ARG A 1 17.618 -8.924 14.756 1.00 0.00 C ATOM 4 O ARG A 1 18.465 -9.816 14.663 1.00 0.00 O ATOM 5 CB ARG A 1 19.245 -7.636 16.317 1.00 0.00 C ATOM 6 CG ARG A 1 19.407 -6.398 17.230 1.00 0.00 C ATOM 7 CD ARG A 1 20.680 -6.416 18.086 1.00 0.00 C ATOM 8 NE ARG A 1 21.908 -6.158 17.311 1.00 0.00 N ATOM 9 CZ ARG A 1 23.125 -6.030 17.811 1.00 0.00 C ATOM 10 NH1 ARG A 1 23.370 -6.175 19.081 1.00 0.00 N ATOM 11 NH2 ARG A 1 24.134 -5.745 17.041 1.00 0.00 N ATOM 0 H1 ARG A 1 16.192 -7.334 17.077 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.368 -9.001 16.804 1.00 0.00 H new ATOM 0 H3 ARG A 1 17.438 -8.193 17.847 1.00 0.00 H new ATOM 0 HA ARG A 1 17.515 -6.884 15.345 1.00 0.00 H new ATOM 0 HB2 ARG A 1 19.560 -8.527 16.860 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.906 -7.537 15.456 1.00 0.00 H new ATOM 0 HG2 ARG A 1 19.410 -5.501 16.611 1.00 0.00 H new ATOM 0 HG3 ARG A 1 18.540 -6.328 17.887 1.00 0.00 H new ATOM 0 HD2 ARG A 1 20.591 -5.667 18.873 1.00 0.00 H new ATOM 0 HD3 ARG A 1 20.766 -7.385 18.577 1.00 0.00 H new ATOM 0 HE ARG A 1 21.810 -6.071 16.300 1.00 0.00 H new ATOM 0 HH11 ARG A 1 22.610 -6.395 19.725 1.00 0.00 H new ATOM 0 HH12 ARG A 1 24.322 -6.069 19.432 1.00 0.00 H new ATOM 0 HH21 ARG A 1 23.991 -5.618 16.039 1.00 0.00 H new ATOM 0 HH22 ARG A 1 25.068 -5.649 17.439 1.00 0.00 H new ATOM 27 N PRO A 2 16.490 -8.941 14.000 1.00 0.00 N ATOM 28 CA PRO A 2 16.086 -10.115 13.208 1.00 0.00 C ATOM 29 C PRO A 2 16.920 -10.298 11.929 1.00 0.00 C ATOM 30 O PRO A 2 17.458 -11.378 11.680 1.00 0.00 O ATOM 31 CB PRO A 2 14.597 -9.903 12.900 1.00 0.00 C ATOM 32 CG PRO A 2 14.428 -8.384 12.900 1.00 0.00 C ATOM 33 CD PRO A 2 15.440 -7.917 13.949 1.00 0.00 C ATOM 0 HA PRO A 2 16.259 -11.035 13.766 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.324 -10.334 11.937 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.964 -10.374 13.651 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.638 -7.956 11.920 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.411 -8.092 13.164 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.857 -6.947 13.680 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.964 -7.801 14.923 1.00 0.00 H new ATOM 41 N CYS A 3 17.035 -9.232 11.136 1.00 0.00 N ATOM 42 CA CYS A 3 17.829 -9.108 9.912 1.00 0.00 C ATOM 43 C CYS A 3 18.465 -7.708 9.861 1.00 0.00 C ATOM 44 O CYS A 3 18.065 -6.814 10.614 1.00 0.00 O ATOM 45 CB CYS A 3 16.920 -9.329 8.691 1.00 0.00 C ATOM 46 SG CYS A 3 16.093 -10.944 8.605 1.00 0.00 S ATOM 0 H CYS A 3 16.538 -8.367 11.348 1.00 0.00 H new ATOM 0 HA CYS A 3 18.620 -9.857 9.902 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.157 -8.550 8.684 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.517 -9.199 7.788 1.00 0.00 H new ATOM 51 N LYS A 4 19.425 -7.492 8.956 1.00 0.00 N ATOM 52 CA LYS A 4 20.013 -6.169 8.695 1.00 0.00 C ATOM 53 C LYS A 4 19.294 -5.462 7.545 1.00 0.00 C ATOM 54 O LYS A 4 18.901 -6.091 6.560 1.00 0.00 O ATOM 55 CB LYS A 4 21.518 -6.311 8.405 1.00 0.00 C ATOM 56 CG LYS A 4 22.372 -6.829 9.581 1.00 0.00 C ATOM 57 CD LYS A 4 22.798 -5.757 10.601 1.00 0.00 C ATOM 58 CE LYS A 4 21.684 -5.337 11.571 1.00 0.00 C ATOM 59 NZ LYS A 4 22.136 -4.266 12.492 1.00 0.00 N ATOM 0 H LYS A 4 19.820 -8.234 8.379 1.00 0.00 H new ATOM 0 HA LYS A 4 19.887 -5.552 9.585 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.646 -6.987 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.905 -5.340 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.811 -7.603 10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.268 -7.302 9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 4 23.643 -6.134 11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.147 -4.876 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.820 -4.990 11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.359 -6.202 12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.309 -3.821 12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.749 -4.675 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.668 -3.550 11.957 1.00 0.00 H new ATOM 73 N TYR A 5 19.162 -4.142 7.667 1.00 0.00 N ATOM 74 CA TYR A 5 18.520 -3.256 6.692 1.00 0.00 C ATOM 75 C TYR A 5 19.315 -1.952 6.507 1.00 0.00 C ATOM 76 O TYR A 5 20.127 -1.566 7.353 1.00 0.00 O ATOM 77 CB TYR A 5 17.089 -2.914 7.139 1.00 0.00 C ATOM 78 CG TYR A 5 16.148 -4.072 7.434 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.169 -4.683 8.703 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.191 -4.479 6.481 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.225 -5.672 9.037 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.221 -5.441 6.828 1.00 0.00 C ATOM 83 CZ TYR A 5 14.238 -6.045 8.101 1.00 0.00 C ATOM 84 OH TYR A 5 13.303 -6.982 8.419 1.00 0.00 O ATOM 0 H TYR A 5 19.513 -3.638 8.481 1.00 0.00 H new ATOM 0 HA TYR A 5 18.492 -3.786 5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.155 -2.298 8.036 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.632 -2.299 6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 5 16.916 -4.390 9.426 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.201 -4.055 5.488 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.256 -6.144 10.008 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.460 -5.717 6.113 1.00 0.00 H new ATOM 0 HH TYR A 5 12.410 -6.640 8.204 1.00 0.00 H new ATOM 94 N LYS A 6 19.046 -1.261 5.398 1.00 0.00 N ATOM 95 CA LYS A 6 19.648 0.010 4.973 1.00 0.00 C ATOM 96 C LYS A 6 18.752 1.191 5.352 1.00 0.00 C ATOM 97 O LYS A 6 17.527 1.052 5.417 1.00 0.00 O ATOM 98 CB LYS A 6 19.826 -0.016 3.444 1.00 0.00 C ATOM 99 CG LYS A 6 20.671 -1.202 2.932 1.00 0.00 C ATOM 100 CD LYS A 6 20.213 -1.684 1.547 1.00 0.00 C ATOM 101 CE LYS A 6 20.435 -0.659 0.423 1.00 0.00 C ATOM 102 NZ LYS A 6 21.852 -0.625 -0.031 1.00 0.00 N ATOM 0 H LYS A 6 18.355 -1.595 4.726 1.00 0.00 H new ATOM 0 HA LYS A 6 20.610 0.130 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.843 -0.054 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.295 0.915 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.719 -0.906 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.605 -2.026 3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.746 -2.602 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.153 -1.934 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.790 -0.902 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.143 0.331 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.957 0.079 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.466 -0.368 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.124 -1.563 -0.389 1.00 0.00 H new ATOM 116 N LEU A 7 19.353 2.368 5.523 1.00 0.00 N ATOM 117 CA LEU A 7 18.639 3.622 5.791 1.00 0.00 C ATOM 118 C LEU A 7 18.060 4.218 4.493 1.00 0.00 C ATOM 119 O LEU A 7 18.786 4.410 3.514 1.00 0.00 O ATOM 120 CB LEU A 7 19.599 4.621 6.468 1.00 0.00 C ATOM 121 CG LEU A 7 18.857 5.850 7.034 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.322 5.585 8.442 1.00 0.00 C ATOM 123 CD2 LEU A 7 19.779 7.059 7.082 1.00 0.00 C ATOM 0 H LEU A 7 20.366 2.482 5.479 1.00 0.00 H new ATOM 0 HA LEU A 7 17.803 3.417 6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.134 4.119 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.346 4.950 5.746 1.00 0.00 H new ATOM 0 HG LEU A 7 18.018 6.049 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.806 6.472 8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.627 4.746 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 7 19.152 5.348 9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.236 7.915 7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.634 6.839 7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.128 7.291 6.076 1.00 0.00 H new ATOM 135 N LYS A 8 16.761 4.543 4.501 1.00 0.00 N ATOM 136 CA LYS A 8 16.046 5.242 3.417 1.00 0.00 C ATOM 137 C LYS A 8 14.903 6.117 3.959 1.00 0.00 C ATOM 138 O LYS A 8 13.803 5.627 4.216 1.00 0.00 O ATOM 139 CB LYS A 8 15.562 4.202 2.387 1.00 0.00 C ATOM 140 CG LYS A 8 14.798 4.794 1.187 1.00 0.00 C ATOM 141 CD LYS A 8 15.640 5.745 0.328 1.00 0.00 C ATOM 142 CE LYS A 8 14.783 6.262 -0.835 1.00 0.00 C ATOM 143 NZ LYS A 8 15.546 7.187 -1.713 1.00 0.00 N ATOM 0 H LYS A 8 16.154 4.320 5.290 1.00 0.00 H new ATOM 0 HA LYS A 8 16.727 5.932 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.425 3.650 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.917 3.483 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.435 3.979 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.922 5.329 1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.998 6.579 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.520 5.227 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.421 5.419 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.906 6.775 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.934 7.515 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.870 8.004 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.369 6.690 -2.110 1.00 0.00 H new ATOM 157 N LYS A 9 15.156 7.418 4.136 1.00 0.00 N ATOM 158 CA LYS A 9 14.156 8.423 4.554 1.00 0.00 C ATOM 159 C LYS A 9 13.839 9.388 3.409 1.00 0.00 C ATOM 160 O LYS A 9 14.720 9.734 2.618 1.00 0.00 O ATOM 161 CB LYS A 9 14.630 9.167 5.822 1.00 0.00 C ATOM 162 CG LYS A 9 15.016 8.255 7.003 1.00 0.00 C ATOM 163 CD LYS A 9 13.906 7.275 7.423 1.00 0.00 C ATOM 164 CE LYS A 9 14.394 6.346 8.539 1.00 0.00 C ATOM 165 NZ LYS A 9 13.616 5.076 8.572 1.00 0.00 N ATOM 0 H LYS A 9 16.083 7.818 3.991 1.00 0.00 H new ATOM 0 HA LYS A 9 13.229 7.907 4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.490 9.785 5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.838 9.842 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.906 7.687 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.281 8.877 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.033 7.832 7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.592 6.684 6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.451 6.123 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.306 6.853 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.840 4.554 9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.599 5.291 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.865 4.495 7.746 1.00 0.00 H new ATOM 179 N SER A 10 12.576 9.789 3.293 1.00 0.00 N ATOM 180 CA SER A 10 12.036 10.653 2.227 1.00 0.00 C ATOM 181 C SER A 10 10.802 11.428 2.716 1.00 0.00 C ATOM 182 O SER A 10 10.295 11.185 3.814 1.00 0.00 O ATOM 183 CB SER A 10 11.673 9.783 1.008 1.00 0.00 C ATOM 184 OG SER A 10 12.841 9.316 0.347 1.00 0.00 O ATOM 0 H SER A 10 11.862 9.512 3.967 1.00 0.00 H new ATOM 0 HA SER A 10 12.795 11.383 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.070 8.934 1.330 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.065 10.361 0.313 1.00 0.00 H new ATOM 0 HG SER A 10 13.628 9.509 0.898 1.00 0.00 H new ATOM 190 N THR A 11 10.287 12.366 1.912 1.00 0.00 N ATOM 191 CA THR A 11 9.090 13.151 2.260 1.00 0.00 C ATOM 192 C THR A 11 8.259 13.458 1.015 1.00 0.00 C ATOM 193 O THR A 11 8.631 14.320 0.220 1.00 0.00 O ATOM 194 CB THR A 11 9.432 14.455 3.008 1.00 0.00 C ATOM 195 OG1 THR A 11 10.426 14.268 3.998 1.00 0.00 O ATOM 196 CG2 THR A 11 8.184 14.968 3.721 1.00 0.00 C ATOM 0 H THR A 11 10.685 12.604 1.003 1.00 0.00 H new ATOM 0 HA THR A 11 8.501 12.534 2.939 1.00 0.00 H new ATOM 0 HB THR A 11 9.801 15.158 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.609 15.122 4.443 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.421 15.890 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.400 15.162 2.989 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.838 14.219 4.433 1.00 0.00 H new ATOM 204 N ASN A 12 7.165 12.713 0.806 1.00 0.00 N ATOM 205 CA ASN A 12 6.288 12.810 -0.375 1.00 0.00 C ATOM 206 C ASN A 12 4.935 12.080 -0.195 1.00 0.00 C ATOM 207 O ASN A 12 4.691 11.452 0.834 1.00 0.00 O ATOM 208 CB ASN A 12 7.038 12.361 -1.655 1.00 0.00 C ATOM 209 CG ASN A 12 7.346 10.886 -1.836 1.00 0.00 C ATOM 210 OD1 ASN A 12 7.268 10.360 -2.932 1.00 0.00 O ATOM 211 ND2 ASN A 12 7.779 10.181 -0.820 1.00 0.00 N ATOM 0 H ASN A 12 6.855 12.005 1.471 1.00 0.00 H new ATOM 0 HA ASN A 12 6.028 13.862 -0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.450 12.684 -2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.983 12.904 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.045 9.205 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.850 10.608 0.104 1.00 0.00 H new ATOM 218 N LYS A 13 4.049 12.212 -1.189 1.00 0.00 N ATOM 219 CA LYS A 13 2.760 11.507 -1.366 1.00 0.00 C ATOM 220 C LYS A 13 2.905 9.989 -1.564 1.00 0.00 C ATOM 221 O LYS A 13 3.998 9.474 -1.803 1.00 0.00 O ATOM 222 CB LYS A 13 1.980 12.138 -2.542 1.00 0.00 C ATOM 223 CG LYS A 13 2.804 12.498 -3.786 1.00 0.00 C ATOM 224 CD LYS A 13 3.085 14.009 -3.835 1.00 0.00 C ATOM 225 CE LYS A 13 4.180 14.401 -4.840 1.00 0.00 C ATOM 226 NZ LYS A 13 3.816 14.090 -6.250 1.00 0.00 N ATOM 0 H LYS A 13 4.222 12.864 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 13 2.204 11.631 -0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.192 11.446 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.490 13.043 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.745 11.948 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.267 12.194 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.164 14.533 -4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.378 14.348 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.382 15.468 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.102 13.879 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.592 14.376 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.649 13.068 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.952 14.608 -6.508 1.00 0.00 H new ATOM 240 N PHE A 14 1.778 9.282 -1.536 1.00 0.00 N ATOM 241 CA PHE A 14 1.666 7.826 -1.686 1.00 0.00 C ATOM 242 C PHE A 14 0.451 7.432 -2.541 1.00 0.00 C ATOM 243 O PHE A 14 -0.608 8.062 -2.481 1.00 0.00 O ATOM 244 CB PHE A 14 1.620 7.157 -0.296 1.00 0.00 C ATOM 245 CG PHE A 14 0.658 7.793 0.697 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.727 7.549 0.617 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.148 8.661 1.693 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.618 8.217 1.478 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.258 9.309 2.566 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.127 9.125 2.433 1.00 0.00 C ATOM 0 H PHE A 14 0.870 9.728 -1.402 1.00 0.00 H new ATOM 0 HA PHE A 14 2.549 7.468 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.346 6.110 -0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.623 7.174 0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.107 6.846 -0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.211 8.829 1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.680 8.032 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.642 9.952 3.344 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.811 9.677 3.060 1.00 0.00 H new ATOM 260 N CYS A 15 0.602 6.395 -3.367 1.00 0.00 N ATOM 261 CA CYS A 15 -0.481 5.832 -4.176 1.00 0.00 C ATOM 262 C CYS A 15 -1.036 4.544 -3.551 1.00 0.00 C ATOM 263 O CYS A 15 -0.295 3.701 -3.035 1.00 0.00 O ATOM 264 CB CYS A 15 -0.022 5.584 -5.618 1.00 0.00 C ATOM 265 SG CYS A 15 -1.397 5.185 -6.739 1.00 0.00 S ATOM 0 H CYS A 15 1.493 5.916 -3.495 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.287 6.565 -4.199 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.496 6.470 -5.987 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.698 4.766 -5.629 1.00 0.00 H new ATOM 270 N VAL A 16 -2.353 4.384 -3.645 1.00 0.00 N ATOM 271 CA VAL A 16 -3.147 3.282 -3.055 1.00 0.00 C ATOM 272 C VAL A 16 -4.351 2.921 -3.946 1.00 0.00 C ATOM 273 O VAL A 16 -4.554 3.548 -4.985 1.00 0.00 O ATOM 274 CB VAL A 16 -3.620 3.647 -1.629 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.492 3.679 -0.597 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.334 4.996 -1.570 1.00 0.00 C ATOM 0 H VAL A 16 -2.935 5.046 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.500 2.407 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.313 2.844 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.899 3.942 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.022 2.697 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.750 4.421 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.643 5.199 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.657 5.781 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.212 4.972 -2.216 1.00 0.00 H new ATOM 286 N THR A 17 -5.182 1.953 -3.537 1.00 0.00 N ATOM 287 CA THR A 17 -6.438 1.579 -4.229 1.00 0.00 C ATOM 288 C THR A 17 -7.632 1.625 -3.272 1.00 0.00 C ATOM 289 O THR A 17 -7.649 0.877 -2.293 1.00 0.00 O ATOM 290 CB THR A 17 -6.348 0.170 -4.842 1.00 0.00 C ATOM 291 OG1 THR A 17 -5.088 -0.071 -5.431 1.00 0.00 O ATOM 292 CG2 THR A 17 -7.390 -0.072 -5.923 1.00 0.00 C ATOM 0 H THR A 17 -5.004 1.394 -2.703 1.00 0.00 H new ATOM 0 HA THR A 17 -6.583 2.307 -5.027 1.00 0.00 H new ATOM 0 HB THR A 17 -6.519 -0.504 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.070 -0.976 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.277 -1.082 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.388 0.042 -5.499 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.253 0.650 -6.728 1.00 0.00 H new ATOM 300 N CYS A 18 -8.629 2.486 -3.527 1.00 0.00 N ATOM 301 CA CYS A 18 -9.887 2.490 -2.773 1.00 0.00 C ATOM 302 C CYS A 18 -10.875 1.467 -3.334 1.00 0.00 C ATOM 303 O CYS A 18 -11.107 1.390 -4.539 1.00 0.00 O ATOM 304 CB CYS A 18 -10.531 3.884 -2.725 1.00 0.00 C ATOM 305 SG CYS A 18 -10.079 4.861 -1.275 1.00 0.00 S ATOM 0 H CYS A 18 -8.584 3.195 -4.259 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.637 2.207 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.247 4.434 -3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.615 3.772 -2.750 1.00 0.00 H new ATOM 310 N GLU A 19 -11.496 0.710 -2.436 1.00 0.00 N ATOM 311 CA GLU A 19 -12.547 -0.257 -2.728 1.00 0.00 C ATOM 312 C GLU A 19 -13.624 -0.143 -1.644 1.00 0.00 C ATOM 313 O GLU A 19 -13.359 -0.396 -0.470 1.00 0.00 O ATOM 314 CB GLU A 19 -11.940 -1.666 -2.811 1.00 0.00 C ATOM 315 CG GLU A 19 -12.929 -2.666 -3.419 1.00 0.00 C ATOM 316 CD GLU A 19 -12.338 -4.089 -3.458 1.00 0.00 C ATOM 317 OE1 GLU A 19 -11.526 -4.386 -4.367 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.700 -4.921 -2.591 1.00 0.00 O ATOM 0 H GLU A 19 -11.271 0.756 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.014 -0.055 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.032 -1.638 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.651 -1.998 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.850 -2.669 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.192 -2.352 -4.429 1.00 0.00 H new ATOM 325 N ASN A 20 -14.829 0.286 -2.033 1.00 0.00 N ATOM 326 CA ASN A 20 -15.927 0.636 -1.120 1.00 0.00 C ATOM 327 C ASN A 20 -15.533 1.755 -0.118 1.00 0.00 C ATOM 328 O ASN A 20 -15.672 1.621 1.099 1.00 0.00 O ATOM 329 CB ASN A 20 -16.521 -0.634 -0.465 1.00 0.00 C ATOM 330 CG ASN A 20 -17.278 -1.534 -1.426 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.496 -1.632 -1.386 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.604 -2.222 -2.322 1.00 0.00 N ATOM 0 H ASN A 20 -15.076 0.403 -3.016 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.733 1.078 -1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.713 -1.206 -0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.192 -0.334 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.098 -2.830 -2.975 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.588 -2.147 -2.364 1.00 0.00 H new ATOM 339 N GLN A 21 -15.082 2.895 -0.662 1.00 0.00 N ATOM 340 CA GLN A 21 -14.847 4.187 0.015 1.00 0.00 C ATOM 341 C GLN A 21 -13.717 4.182 1.065 1.00 0.00 C ATOM 342 O GLN A 21 -13.711 4.996 1.992 1.00 0.00 O ATOM 343 CB GLN A 21 -16.158 4.761 0.594 1.00 0.00 C ATOM 344 CG GLN A 21 -17.317 4.842 -0.409 1.00 0.00 C ATOM 345 CD GLN A 21 -18.328 3.714 -0.242 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.913 3.494 0.810 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.603 2.975 -1.288 1.00 0.00 N ATOM 0 H GLN A 21 -14.855 2.946 -1.655 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.485 4.851 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.468 4.145 1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.961 5.760 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.826 5.799 -0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.916 4.816 -1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.124 3.145 -2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.296 2.230 -1.218 1.00 0.00 H new ATOM 356 N ALA A 22 -12.761 3.261 0.938 1.00 0.00 N ATOM 357 CA ALA A 22 -11.671 3.059 1.877 1.00 0.00 C ATOM 358 C ALA A 22 -10.500 2.357 1.160 1.00 0.00 C ATOM 359 O ALA A 22 -10.723 1.405 0.404 1.00 0.00 O ATOM 360 CB ALA A 22 -12.208 2.231 3.048 1.00 0.00 C ATOM 0 H ALA A 22 -12.728 2.616 0.149 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.293 4.007 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.410 2.063 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.026 2.768 3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.571 1.272 2.679 1.00 0.00 H new ATOM 366 N PRO A 23 -9.259 2.836 1.334 1.00 0.00 N ATOM 367 CA PRO A 23 -8.075 2.260 0.710 1.00 0.00 C ATOM 368 C PRO A 23 -7.628 0.963 1.394 1.00 0.00 C ATOM 369 O PRO A 23 -7.032 0.972 2.470 1.00 0.00 O ATOM 370 CB PRO A 23 -7.044 3.383 0.729 1.00 0.00 C ATOM 371 CG PRO A 23 -7.399 4.157 1.992 1.00 0.00 C ATOM 372 CD PRO A 23 -8.918 4.069 2.024 1.00 0.00 C ATOM 0 HA PRO A 23 -8.254 1.930 -0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.026 2.995 0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.114 4.009 -0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.949 3.712 2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.054 5.190 1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.287 4.058 3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.370 4.930 1.532 1.00 0.00 H new ATOM 380 N VAL A 24 -7.923 -0.174 0.759 1.00 0.00 N ATOM 381 CA VAL A 24 -7.567 -1.522 1.226 1.00 0.00 C ATOM 382 C VAL A 24 -6.307 -2.059 0.543 1.00 0.00 C ATOM 383 O VAL A 24 -6.047 -3.244 0.677 1.00 0.00 O ATOM 384 CB VAL A 24 -8.746 -2.523 1.084 1.00 0.00 C ATOM 385 CG1 VAL A 24 -10.035 -1.971 1.703 1.00 0.00 C ATOM 386 CG2 VAL A 24 -9.072 -2.897 -0.370 1.00 0.00 C ATOM 0 H VAL A 24 -8.433 -0.185 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.346 -1.424 2.289 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.402 -3.413 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.837 -2.700 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.875 -1.777 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.311 -1.043 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.906 -3.599 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.343 -1.999 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.199 -3.359 -0.831 1.00 0.00 H new ATOM 396 N HIS A 25 -5.539 -1.257 -0.217 1.00 0.00 N ATOM 397 CA HIS A 25 -4.389 -1.749 -1.004 1.00 0.00 C ATOM 398 C HIS A 25 -3.305 -0.685 -1.174 1.00 0.00 C ATOM 399 O HIS A 25 -3.633 0.482 -1.391 1.00 0.00 O ATOM 400 CB HIS A 25 -4.895 -2.143 -2.398 1.00 0.00 C ATOM 401 CG HIS A 25 -3.992 -3.067 -3.170 1.00 0.00 C ATOM 402 ND1 HIS A 25 -3.925 -4.433 -3.005 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.138 -2.713 -4.177 1.00 0.00 C ATOM 404 CE1 HIS A 25 -3.034 -4.912 -3.896 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.537 -3.882 -4.614 1.00 0.00 N ATOM 0 H HIS A 25 -5.696 -0.253 -0.304 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.953 -2.594 -0.471 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.870 -2.619 -2.292 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.045 -1.235 -2.983 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.455 -4.984 -2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.966 -1.717 -4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.762 -5.950 -4.016 1.00 0.00 H new ATOM 414 N PHE A 26 -2.032 -1.079 -1.160 1.00 0.00 N ATOM 415 CA PHE A 26 -0.891 -0.195 -1.430 1.00 0.00 C ATOM 416 C PHE A 26 -0.411 -0.331 -2.886 1.00 0.00 C ATOM 417 O PHE A 26 -0.320 -1.443 -3.407 1.00 0.00 O ATOM 418 CB PHE A 26 0.231 -0.520 -0.426 1.00 0.00 C ATOM 419 CG PHE A 26 1.467 0.360 -0.510 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.356 1.765 -0.450 1.00 0.00 C ATOM 421 CD2 PHE A 26 2.743 -0.227 -0.618 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.502 2.572 -0.539 1.00 0.00 C ATOM 423 CE2 PHE A 26 3.891 0.580 -0.703 1.00 0.00 C ATOM 424 CZ PHE A 26 3.769 1.977 -0.674 1.00 0.00 C ATOM 0 H PHE A 26 -1.756 -2.040 -0.957 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.195 0.844 -1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.177 -0.447 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.535 -1.556 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.385 2.223 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.840 -1.303 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.410 3.648 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.866 0.125 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.650 2.597 -0.755 1.00 0.00 H new ATOM 434 N VAL A 27 -0.105 0.793 -3.548 1.00 0.00 N ATOM 435 CA VAL A 27 0.402 0.822 -4.938 1.00 0.00 C ATOM 436 C VAL A 27 1.869 1.267 -4.999 1.00 0.00 C ATOM 437 O VAL A 27 2.687 0.567 -5.598 1.00 0.00 O ATOM 438 CB VAL A 27 -0.479 1.697 -5.852 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.058 1.770 -7.286 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.919 1.186 -5.932 1.00 0.00 C ATOM 0 H VAL A 27 -0.201 1.720 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 27 0.351 -0.200 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.456 2.686 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.598 2.398 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.061 2.196 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.093 0.768 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.500 1.835 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.923 0.171 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.361 1.187 -4.936 1.00 0.00 H new ATOM 450 N GLY A 28 2.217 2.420 -4.417 1.00 0.00 N ATOM 451 CA GLY A 28 3.568 2.983 -4.521 1.00 0.00 C ATOM 452 C GLY A 28 3.750 4.316 -3.794 1.00 0.00 C ATOM 453 O GLY A 28 2.879 4.765 -3.049 1.00 0.00 O ATOM 0 H GLY A 28 1.574 2.987 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.281 2.263 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.812 3.120 -5.574 1.00 0.00 H new ATOM 457 N VAL A 29 4.900 4.956 -4.010 1.00 0.00 N ATOM 458 CA VAL A 29 5.315 6.211 -3.355 1.00 0.00 C ATOM 459 C VAL A 29 5.689 7.250 -4.415 1.00 0.00 C ATOM 460 O VAL A 29 6.437 6.943 -5.344 1.00 0.00 O ATOM 461 CB VAL A 29 6.490 5.987 -2.381 1.00 0.00 C ATOM 462 CG1 VAL A 29 6.568 7.149 -1.397 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.362 4.714 -1.540 1.00 0.00 C ATOM 0 H VAL A 29 5.597 4.608 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 29 4.473 6.579 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 29 7.376 5.902 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.399 6.989 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.724 8.079 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.637 7.211 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.225 4.626 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.452 4.763 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.318 3.846 -2.198 1.00 0.00 H new ATOM 473 N GLY A 30 5.134 8.463 -4.319 1.00 0.00 N ATOM 474 CA GLY A 30 5.360 9.555 -5.280 1.00 0.00 C ATOM 475 C GLY A 30 4.819 9.337 -6.705 1.00 0.00 C ATOM 476 O GLY A 30 4.990 10.210 -7.558 1.00 0.00 O ATOM 0 H GLY A 30 4.504 8.721 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.908 10.462 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.433 9.735 -5.346 1.00 0.00 H new ATOM 480 N SER A 31 4.185 8.193 -6.977 1.00 0.00 N ATOM 481 CA SER A 31 3.690 7.730 -8.283 1.00 0.00 C ATOM 482 C SER A 31 2.776 6.501 -8.113 1.00 0.00 C ATOM 483 O SER A 31 2.801 5.848 -7.066 1.00 0.00 O ATOM 484 CB SER A 31 4.883 7.355 -9.177 1.00 0.00 C ATOM 485 OG SER A 31 4.475 7.196 -10.527 1.00 0.00 O ATOM 0 H SER A 31 3.989 7.516 -6.240 1.00 0.00 H new ATOM 0 HA SER A 31 3.116 8.534 -8.743 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.648 8.129 -9.113 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.335 6.430 -8.818 1.00 0.00 H new ATOM 0 HG SER A 31 5.251 6.959 -11.077 1.00 0.00 H new ATOM 491 N CYS A 32 1.999 6.159 -9.144 1.00 0.00 N ATOM 492 CA CYS A 32 1.158 4.961 -9.229 1.00 0.00 C ATOM 493 C CYS A 32 1.709 3.958 -10.264 1.00 0.00 C ATOM 494 O CYS A 32 1.709 4.229 -11.469 1.00 0.00 O ATOM 495 CB CYS A 32 -0.274 5.374 -9.589 1.00 0.00 C ATOM 496 SG CYS A 32 -1.153 6.383 -8.368 1.00 0.00 S ATOM 0 H CYS A 32 1.936 6.737 -9.982 1.00 0.00 H new ATOM 0 HA CYS A 32 1.162 4.462 -8.260 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.245 5.924 -10.529 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.856 4.470 -9.767 1.00 0.00 H new ATOM 501 N GLY A 33 2.165 2.789 -9.803 1.00 0.00 N ATOM 502 CA GLY A 33 2.636 1.679 -10.643 1.00 0.00 C ATOM 503 C GLY A 33 1.479 0.908 -11.294 1.00 0.00 C ATOM 504 O GLY A 33 0.783 0.150 -10.615 1.00 0.00 O ATOM 0 H GLY A 33 2.219 2.581 -8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.293 2.068 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.230 0.995 -10.037 1.00 0.00 H new ATOM 508 N SER A 34 1.254 1.115 -12.596 1.00 0.00 N ATOM 509 CA SER A 34 0.180 0.464 -13.371 1.00 0.00 C ATOM 510 C SER A 34 0.292 -1.072 -13.388 1.00 0.00 C ATOM 511 O SER A 34 1.394 -1.629 -13.349 1.00 0.00 O ATOM 512 CB SER A 34 0.181 1.003 -14.806 1.00 0.00 C ATOM 513 OG SER A 34 -0.991 0.588 -15.489 1.00 0.00 O ATOM 0 H SER A 34 1.822 1.751 -13.156 1.00 0.00 H new ATOM 0 HA SER A 34 -0.761 0.704 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.236 2.092 -14.793 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.064 0.646 -15.335 1.00 0.00 H new ATOM 0 HG SER A 34 -0.979 0.940 -16.403 1.00 0.00 H new ATOM 519 N GLY A 35 -0.851 -1.763 -13.467 1.00 0.00 N ATOM 520 CA GLY A 35 -0.982 -3.226 -13.402 1.00 0.00 C ATOM 521 C GLY A 35 -0.598 -3.793 -12.027 1.00 0.00 C ATOM 522 O GLY A 35 -1.446 -3.932 -11.143 1.00 0.00 O ATOM 0 H GLY A 35 -1.751 -1.298 -13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.010 -3.506 -13.632 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.350 -3.678 -14.167 1.00 0.00 H new ATOM 526 N GLY A 36 0.687 -4.099 -11.847 1.00 0.00 N ATOM 527 CA GLY A 36 1.315 -4.513 -10.588 1.00 0.00 C ATOM 528 C GLY A 36 2.823 -4.751 -10.750 1.00 0.00 C ATOM 529 O GLY A 36 3.321 -4.900 -11.871 1.00 0.00 O ATOM 0 H GLY A 36 1.356 -4.063 -12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.148 -3.747 -9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.840 -5.426 -10.229 1.00 0.00 H new ATOM 533 N SER A 37 3.559 -4.802 -9.636 1.00 0.00 N ATOM 534 CA SER A 37 4.990 -5.161 -9.628 1.00 0.00 C ATOM 535 C SER A 37 5.216 -6.667 -9.856 1.00 0.00 C ATOM 536 O SER A 37 4.288 -7.479 -9.768 1.00 0.00 O ATOM 537 CB SER A 37 5.663 -4.704 -8.322 1.00 0.00 C ATOM 538 OG SER A 37 5.137 -5.364 -7.184 1.00 0.00 O ATOM 0 H SER A 37 3.184 -4.596 -8.710 1.00 0.00 H new ATOM 0 HA SER A 37 5.453 -4.635 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.735 -4.891 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.533 -3.628 -8.207 1.00 0.00 H new ATOM 0 HG SER A 37 5.595 -5.044 -6.379 1.00 0.00 H new ATOM 544 N GLY A 38 6.467 -7.060 -10.128 1.00 0.00 N ATOM 545 CA GLY A 38 6.863 -8.471 -10.258 1.00 0.00 C ATOM 546 C GLY A 38 6.958 -9.222 -8.920 1.00 0.00 C ATOM 547 O GLY A 38 6.964 -10.455 -8.900 1.00 0.00 O ATOM 0 H GLY A 38 7.238 -6.406 -10.265 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.144 -8.981 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.829 -8.521 -10.760 1.00 0.00 H new ATOM 551 N ILE A 39 7.030 -8.496 -7.798 1.00 0.00 N ATOM 552 CA ILE A 39 7.079 -9.035 -6.436 1.00 0.00 C ATOM 553 C ILE A 39 5.661 -9.374 -5.946 1.00 0.00 C ATOM 554 O ILE A 39 4.726 -8.585 -6.091 1.00 0.00 O ATOM 555 CB ILE A 39 7.767 -8.037 -5.473 1.00 0.00 C ATOM 556 CG1 ILE A 39 9.111 -7.490 -6.023 1.00 0.00 C ATOM 557 CG2 ILE A 39 8.035 -8.716 -4.116 1.00 0.00 C ATOM 558 CD1 ILE A 39 8.995 -6.142 -6.745 1.00 0.00 C ATOM 0 H ILE A 39 7.057 -7.477 -7.816 1.00 0.00 H new ATOM 0 HA ILE A 39 7.670 -9.951 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 39 7.083 -7.195 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.814 -7.387 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.534 -8.222 -6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.519 -8.007 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.091 -9.043 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.685 -9.579 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.979 -5.832 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.320 -6.241 -7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.604 -5.393 -6.056 1.00 0.00 H new ATOM 570 N PHE A 40 5.515 -10.548 -5.327 1.00 0.00 N ATOM 571 CA PHE A 40 4.262 -11.058 -4.740 1.00 0.00 C ATOM 572 C PHE A 40 4.455 -11.684 -3.339 1.00 0.00 C ATOM 573 O PHE A 40 3.581 -12.383 -2.825 1.00 0.00 O ATOM 574 CB PHE A 40 3.584 -12.010 -5.742 1.00 0.00 C ATOM 575 CG PHE A 40 4.218 -13.385 -5.880 1.00 0.00 C ATOM 576 CD1 PHE A 40 5.375 -13.564 -6.663 1.00 0.00 C ATOM 577 CD2 PHE A 40 3.638 -14.493 -5.233 1.00 0.00 C ATOM 578 CE1 PHE A 40 5.957 -14.839 -6.781 1.00 0.00 C ATOM 579 CE2 PHE A 40 4.217 -15.769 -5.354 1.00 0.00 C ATOM 580 CZ PHE A 40 5.379 -15.942 -6.127 1.00 0.00 C ATOM 0 H PHE A 40 6.293 -11.198 -5.214 1.00 0.00 H new ATOM 0 HA PHE A 40 3.596 -10.214 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.543 -12.139 -5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.579 -11.533 -6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.816 -12.721 -7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.744 -14.362 -4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.849 -14.971 -7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.770 -16.615 -4.854 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.827 -16.920 -6.218 1.00 0.00 H new ATOM 590 N LEU A 41 5.617 -11.434 -2.718 1.00 0.00 N ATOM 591 CA LEU A 41 6.036 -11.967 -1.412 1.00 0.00 C ATOM 592 C LEU A 41 5.167 -11.486 -0.232 1.00 0.00 C ATOM 593 O LEU A 41 5.121 -12.148 0.805 1.00 0.00 O ATOM 594 CB LEU A 41 7.512 -11.593 -1.176 1.00 0.00 C ATOM 595 CG LEU A 41 8.501 -12.219 -2.182 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.888 -11.608 -1.996 1.00 0.00 C ATOM 597 CD2 LEU A 41 8.621 -13.734 -2.008 1.00 0.00 C ATOM 0 H LEU A 41 6.324 -10.826 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 41 5.906 -13.049 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.610 -10.508 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.795 -11.900 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 41 8.112 -12.012 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.581 -12.054 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.837 -10.532 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.237 -11.801 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.328 -14.129 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.975 -13.958 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.646 -14.196 -2.160 1.00 0.00 H new ATOM 609 N GLU A 42 4.447 -10.372 -0.393 1.00 0.00 N ATOM 610 CA GLU A 42 3.391 -9.905 0.512 1.00 0.00 C ATOM 611 C GLU A 42 1.996 -10.027 -0.133 1.00 0.00 C ATOM 612 O GLU A 42 1.852 -10.024 -1.359 1.00 0.00 O ATOM 613 CB GLU A 42 3.688 -8.462 0.955 1.00 0.00 C ATOM 614 CG GLU A 42 3.481 -7.410 -0.146 1.00 0.00 C ATOM 615 CD GLU A 42 3.898 -6.007 0.334 1.00 0.00 C ATOM 616 OE1 GLU A 42 3.163 -5.406 1.154 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.955 -5.498 -0.112 1.00 0.00 O ATOM 0 H GLU A 42 4.588 -9.747 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 42 3.381 -10.544 1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.049 -8.215 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.718 -8.406 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.063 -7.683 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.434 -7.397 -0.447 1.00 0.00 H new ATOM 624 N THR A 43 0.950 -10.070 0.697 1.00 0.00 N ATOM 625 CA THR A 43 -0.457 -10.089 0.237 1.00 0.00 C ATOM 626 C THR A 43 -0.897 -8.735 -0.342 1.00 0.00 C ATOM 627 O THR A 43 -1.785 -8.679 -1.194 1.00 0.00 O ATOM 628 CB THR A 43 -1.381 -10.489 1.402 1.00 0.00 C ATOM 629 OG1 THR A 43 -1.033 -11.777 1.874 1.00 0.00 O ATOM 630 CG2 THR A 43 -2.869 -10.573 1.047 1.00 0.00 C ATOM 0 H THR A 43 1.047 -10.093 1.712 1.00 0.00 H new ATOM 0 HA THR A 43 -0.531 -10.824 -0.564 1.00 0.00 H new ATOM 0 HB THR A 43 -1.240 -9.697 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.624 -12.024 2.616 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.438 -10.861 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.214 -9.601 0.694 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.015 -11.316 0.263 1.00 0.00 H new ATOM 638 N SER A 44 -0.277 -7.632 0.108 1.00 0.00 N ATOM 639 CA SER A 44 -0.582 -6.238 -0.271 1.00 0.00 C ATOM 640 C SER A 44 -2.038 -5.805 0.009 1.00 0.00 C ATOM 641 O SER A 44 -2.479 -4.774 -0.498 1.00 0.00 O ATOM 642 CB SER A 44 -0.156 -6.006 -1.732 1.00 0.00 C ATOM 643 OG SER A 44 -0.068 -4.627 -2.035 1.00 0.00 O ATOM 0 H SER A 44 0.489 -7.688 0.779 1.00 0.00 H new ATOM 0 HA SER A 44 0.002 -5.586 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.809 -6.481 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.874 -6.481 -2.401 1.00 0.00 H new ATOM 0 HG SER A 44 -0.833 -4.156 -1.642 1.00 0.00 H new ATOM 649 N LEU A 45 -2.763 -6.569 0.842 1.00 0.00 N ATOM 650 CA LEU A 45 -4.191 -6.499 1.159 1.00 0.00 C ATOM 651 C LEU A 45 -5.068 -6.607 -0.108 1.00 0.00 C ATOM 652 O LEU A 45 -5.243 -5.656 -0.868 1.00 0.00 O ATOM 653 CB LEU A 45 -4.455 -5.288 2.074 1.00 0.00 C ATOM 654 CG LEU A 45 -3.717 -5.337 3.429 1.00 0.00 C ATOM 655 CD1 LEU A 45 -2.348 -4.641 3.373 1.00 0.00 C ATOM 656 CD2 LEU A 45 -4.527 -4.605 4.490 1.00 0.00 C ATOM 0 H LEU A 45 -2.315 -7.325 1.360 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.499 -7.371 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.162 -4.380 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.527 -5.216 2.261 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.587 -6.393 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.868 -4.702 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.720 -5.132 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.483 -3.594 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.999 -4.645 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.661 -3.565 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.502 -5.081 4.596 1.00 0.00 H new ATOM 668 N SER A 46 -5.562 -7.819 -0.386 1.00 0.00 N ATOM 669 CA SER A 46 -6.246 -8.168 -1.646 1.00 0.00 C ATOM 670 C SER A 46 -7.483 -9.049 -1.422 1.00 0.00 C ATOM 671 O SER A 46 -8.604 -8.627 -1.719 1.00 0.00 O ATOM 672 CB SER A 46 -5.244 -8.828 -2.603 1.00 0.00 C ATOM 673 OG SER A 46 -5.845 -9.058 -3.866 1.00 0.00 O ATOM 0 H SER A 46 -5.499 -8.601 0.266 1.00 0.00 H new ATOM 0 HA SER A 46 -6.618 -7.248 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.369 -8.189 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.896 -9.771 -2.182 1.00 0.00 H new ATOM 0 HG SER A 46 -5.194 -9.478 -4.466 1.00 0.00 H new ATOM 679 N ALA A 47 -7.302 -10.247 -0.854 1.00 0.00 N ATOM 680 CA ALA A 47 -8.363 -11.206 -0.536 1.00 0.00 C ATOM 681 C ALA A 47 -8.448 -11.433 0.984 1.00 0.00 C ATOM 682 O ALA A 47 -7.453 -11.779 1.628 1.00 0.00 O ATOM 683 CB ALA A 47 -8.104 -12.503 -1.313 1.00 0.00 C ATOM 0 H ALA A 47 -6.376 -10.587 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.333 -10.814 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.887 -13.226 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.104 -12.293 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.136 -12.913 -1.024 1.00 0.00 H new ATOM 689 N GLY A 48 -9.625 -11.191 1.570 1.00 0.00 N ATOM 690 CA GLY A 48 -9.873 -11.310 3.015 1.00 0.00 C ATOM 691 C GLY A 48 -9.262 -10.194 3.881 1.00 0.00 C ATOM 692 O GLY A 48 -9.305 -10.297 5.109 1.00 0.00 O ATOM 0 H GLY A 48 -10.450 -10.901 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.950 -11.328 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.481 -12.268 3.357 1.00 0.00 H new ATOM 696 N SER A 49 -8.692 -9.142 3.277 1.00 0.00 N ATOM 697 CA SER A 49 -8.091 -7.994 3.966 1.00 0.00 C ATOM 698 C SER A 49 -9.029 -6.781 3.963 1.00 0.00 C ATOM 699 O SER A 49 -10.061 -6.777 3.285 1.00 0.00 O ATOM 700 CB SER A 49 -6.791 -7.628 3.256 1.00 0.00 C ATOM 701 OG SER A 49 -5.881 -8.717 3.248 1.00 0.00 O ATOM 0 H SER A 49 -8.635 -9.065 2.261 1.00 0.00 H new ATOM 0 HA SER A 49 -7.904 -8.270 5.004 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.007 -7.325 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.332 -6.772 3.752 1.00 0.00 H new ATOM 0 HG SER A 49 -5.056 -8.457 3.709 1.00 0.00 H new ATOM 707 N ASP A 50 -8.670 -5.728 4.700 1.00 0.00 N ATOM 708 CA ASP A 50 -9.452 -4.498 4.817 1.00 0.00 C ATOM 709 C ASP A 50 -8.590 -3.269 5.171 1.00 0.00 C ATOM 710 O ASP A 50 -7.427 -3.354 5.558 1.00 0.00 O ATOM 711 CB ASP A 50 -10.588 -4.708 5.841 1.00 0.00 C ATOM 712 CG ASP A 50 -10.101 -5.187 7.219 1.00 0.00 C ATOM 713 OD1 ASP A 50 -9.196 -4.540 7.793 1.00 0.00 O ATOM 714 OD2 ASP A 50 -10.639 -6.197 7.731 1.00 0.00 O ATOM 0 H ASP A 50 -7.807 -5.707 5.244 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.882 -4.281 3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.132 -3.771 5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.294 -5.436 5.442 1.00 0.00 H new ATOM 719 N TRP A 51 -9.193 -2.094 5.037 1.00 0.00 N ATOM 720 CA TRP A 51 -8.645 -0.786 5.411 1.00 0.00 C ATOM 721 C TRP A 51 -8.287 -0.668 6.907 1.00 0.00 C ATOM 722 O TRP A 51 -7.318 0.004 7.267 1.00 0.00 O ATOM 723 CB TRP A 51 -9.651 0.296 4.988 1.00 0.00 C ATOM 724 CG TRP A 51 -9.706 1.503 5.870 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.669 1.759 6.784 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.722 2.571 6.004 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.371 2.939 7.441 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.182 3.482 6.998 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.470 2.835 5.419 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.457 4.628 7.354 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.724 3.974 5.776 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.220 4.876 6.733 1.00 0.00 C ATOM 0 H TRP A 51 -10.131 -2.019 4.643 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.698 -0.654 4.888 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.408 0.618 3.975 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.645 -0.151 4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.534 1.140 6.971 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.957 3.356 8.164 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.074 2.151 4.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.844 5.311 8.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.766 4.156 5.312 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.652 5.758 6.991 1.00 0.00 H new ATOM 743 N LEU A 52 -9.043 -1.316 7.797 1.00 0.00 N ATOM 744 CA LEU A 52 -8.781 -1.288 9.241 1.00 0.00 C ATOM 745 C LEU A 52 -7.404 -1.906 9.558 1.00 0.00 C ATOM 746 O LEU A 52 -6.602 -1.323 10.291 1.00 0.00 O ATOM 747 CB LEU A 52 -9.949 -1.979 9.981 1.00 0.00 C ATOM 748 CG LEU A 52 -10.481 -1.241 11.225 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.417 -1.050 12.306 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.102 0.117 10.885 1.00 0.00 C ATOM 0 H LEU A 52 -9.855 -1.876 7.538 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.732 -0.259 9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.773 -2.110 9.279 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.625 -2.975 10.283 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.260 -1.894 11.620 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.852 -0.525 13.156 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.049 -2.023 12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.590 -0.466 11.903 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.460 0.592 11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.352 0.753 10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.937 -0.026 10.199 1.00 0.00 H new ATOM 762 N THR A 53 -7.095 -3.047 8.939 1.00 0.00 N ATOM 763 CA THR A 53 -5.780 -3.701 8.982 1.00 0.00 C ATOM 764 C THR A 53 -4.721 -3.031 8.095 1.00 0.00 C ATOM 765 O THR A 53 -3.552 -3.058 8.471 1.00 0.00 O ATOM 766 CB THR A 53 -5.876 -5.202 8.655 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.524 -5.454 7.430 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.641 -5.971 9.732 1.00 0.00 C ATOM 0 H THR A 53 -7.773 -3.560 8.375 1.00 0.00 H new ATOM 0 HA THR A 53 -5.444 -3.583 10.012 1.00 0.00 H new ATOM 0 HB THR A 53 -4.841 -5.540 8.600 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.486 -5.297 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.686 -7.026 9.463 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.131 -5.862 10.689 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.653 -5.574 9.813 1.00 0.00 H new ATOM 776 N PHE A 54 -5.080 -2.357 6.991 1.00 0.00 N ATOM 777 CA PHE A 54 -4.162 -1.604 6.109 1.00 0.00 C ATOM 778 C PHE A 54 -3.294 -0.599 6.876 1.00 0.00 C ATOM 779 O PHE A 54 -2.078 -0.535 6.677 1.00 0.00 O ATOM 780 CB PHE A 54 -4.972 -0.879 5.021 1.00 0.00 C ATOM 781 CG PHE A 54 -4.169 0.026 4.117 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.510 -0.499 2.994 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.097 1.404 4.395 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.758 0.352 2.167 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.358 2.256 3.558 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.675 1.726 2.452 1.00 0.00 C ATOM 0 H PHE A 54 -6.049 -2.317 6.674 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.483 -2.325 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.475 -1.626 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.750 -0.287 5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.581 -1.552 2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.612 1.807 5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.241 -0.051 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.315 3.315 3.765 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.086 2.374 1.820 1.00 0.00 H new ATOM 796 N GLN A 55 -3.919 0.151 7.784 1.00 0.00 N ATOM 797 CA GLN A 55 -3.246 1.060 8.711 1.00 0.00 C ATOM 798 C GLN A 55 -2.219 0.302 9.561 1.00 0.00 C ATOM 799 O GLN A 55 -1.017 0.540 9.454 1.00 0.00 O ATOM 800 CB GLN A 55 -4.288 1.749 9.602 1.00 0.00 C ATOM 801 CG GLN A 55 -5.197 2.698 8.815 1.00 0.00 C ATOM 802 CD GLN A 55 -6.520 2.875 9.542 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.684 3.699 10.432 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.503 2.074 9.209 1.00 0.00 N ATOM 0 H GLN A 55 -4.933 0.143 7.898 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.711 1.819 8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.898 0.992 10.094 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.778 2.307 10.387 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.708 3.664 8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.373 2.301 7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.371 1.386 8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.400 2.139 9.691 1.00 0.00 H new ATOM 813 N LYS A 56 -2.682 -0.656 10.375 1.00 0.00 N ATOM 814 CA LYS A 56 -1.820 -1.446 11.285 1.00 0.00 C ATOM 815 C LYS A 56 -0.727 -2.269 10.584 1.00 0.00 C ATOM 816 O LYS A 56 0.271 -2.615 11.216 1.00 0.00 O ATOM 817 CB LYS A 56 -2.686 -2.331 12.203 1.00 0.00 C ATOM 818 CG LYS A 56 -3.697 -1.545 13.066 1.00 0.00 C ATOM 819 CD LYS A 56 -3.073 -0.393 13.875 1.00 0.00 C ATOM 820 CE LYS A 56 -2.069 -0.900 14.924 1.00 0.00 C ATOM 821 NZ LYS A 56 -1.131 0.169 15.359 1.00 0.00 N ATOM 0 H LYS A 56 -3.668 -0.911 10.426 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.273 -0.718 11.885 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.230 -3.049 11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.032 -2.904 12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.474 -1.140 12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.184 -2.235 13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.570 0.296 13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.863 0.170 14.372 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.611 -1.282 15.790 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.502 -1.734 14.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.471 -0.214 16.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.595 0.516 14.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.669 0.954 15.778 1.00 0.00 H new ATOM 835 N LYS A 57 -0.881 -2.535 9.284 1.00 0.00 N ATOM 836 CA LYS A 57 0.099 -3.199 8.412 1.00 0.00 C ATOM 837 C LYS A 57 1.354 -2.359 8.140 1.00 0.00 C ATOM 838 O LYS A 57 2.449 -2.893 8.296 1.00 0.00 O ATOM 839 CB LYS A 57 -0.592 -3.655 7.111 1.00 0.00 C ATOM 840 CG LYS A 57 -0.997 -5.138 7.164 1.00 0.00 C ATOM 841 CD LYS A 57 0.189 -6.052 6.807 1.00 0.00 C ATOM 842 CE LYS A 57 -0.154 -7.548 6.870 1.00 0.00 C ATOM 843 NZ LYS A 57 -1.110 -7.964 5.807 1.00 0.00 N ATOM 0 H LYS A 57 -1.733 -2.282 8.784 1.00 0.00 H new ATOM 0 HA LYS A 57 0.469 -4.075 8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.477 -3.043 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.079 -3.492 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.361 -5.383 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.820 -5.318 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.537 -5.808 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.014 -5.847 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.762 -8.131 6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.580 -7.778 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.307 -8.981 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.996 -7.430 5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.695 -7.772 4.873 1.00 0.00 H new ATOM 857 N HIS A 58 1.242 -1.092 7.710 1.00 0.00 N ATOM 858 CA HIS A 58 2.419 -0.280 7.321 1.00 0.00 C ATOM 859 C HIS A 58 2.271 1.245 7.517 1.00 0.00 C ATOM 860 O HIS A 58 2.950 2.036 6.865 1.00 0.00 O ATOM 861 CB HIS A 58 2.808 -0.643 5.878 1.00 0.00 C ATOM 862 CG HIS A 58 1.868 -0.057 4.858 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.162 1.045 4.080 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.558 -0.400 4.656 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.033 1.375 3.423 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.049 0.514 3.755 1.00 0.00 N ATOM 0 H HIS A 58 0.351 -0.603 7.621 1.00 0.00 H new ATOM 0 HA HIS A 58 3.222 -0.536 8.012 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.820 -0.290 5.679 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.823 -1.728 5.772 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.028 -1.223 5.112 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.931 2.202 2.736 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.907 0.535 3.401 1.00 0.00 H new ATOM 875 N ILE A 59 1.388 1.685 8.403 1.00 0.00 N ATOM 876 CA ILE A 59 1.132 3.103 8.727 1.00 0.00 C ATOM 877 C ILE A 59 1.222 3.302 10.244 1.00 0.00 C ATOM 878 O ILE A 59 0.915 2.397 11.024 1.00 0.00 O ATOM 879 CB ILE A 59 -0.229 3.580 8.151 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.313 3.233 6.643 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.468 5.085 8.394 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.383 3.973 5.832 1.00 0.00 C ATOM 0 H ILE A 59 0.802 1.048 8.943 1.00 0.00 H new ATOM 0 HA ILE A 59 1.894 3.722 8.254 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.022 3.052 8.680 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.658 3.435 6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.492 2.162 6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.432 5.373 7.974 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.465 5.286 9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.323 5.661 7.914 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.343 3.646 4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.368 3.754 6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.200 5.046 5.881 1.00 0.00 H new ATOM 894 N THR A 60 1.649 4.489 10.674 1.00 0.00 N ATOM 895 CA THR A 60 1.689 4.857 12.099 1.00 0.00 C ATOM 896 C THR A 60 1.415 6.345 12.348 1.00 0.00 C ATOM 897 O THR A 60 1.636 7.193 11.482 1.00 0.00 O ATOM 898 CB THR A 60 3.023 4.414 12.729 1.00 0.00 C ATOM 899 OG1 THR A 60 2.994 4.688 14.111 1.00 0.00 O ATOM 900 CG2 THR A 60 4.258 5.090 12.132 1.00 0.00 C ATOM 0 H THR A 60 1.978 5.225 10.049 1.00 0.00 H new ATOM 0 HA THR A 60 0.874 4.323 12.588 1.00 0.00 H new ATOM 0 HB THR A 60 3.114 3.348 12.520 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.895 4.924 14.417 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.153 4.721 12.633 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.318 4.863 11.068 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.184 6.169 12.269 1.00 0.00 H new ATOM 908 N ASN A 61 0.968 6.666 13.565 1.00 0.00 N ATOM 909 CA ASN A 61 0.843 8.016 14.111 1.00 0.00 C ATOM 910 C ASN A 61 2.102 8.452 14.902 1.00 0.00 C ATOM 911 O ASN A 61 2.128 9.546 15.468 1.00 0.00 O ATOM 912 CB ASN A 61 -0.434 8.050 14.969 1.00 0.00 C ATOM 913 CG ASN A 61 -1.698 8.030 14.123 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.126 9.038 13.578 1.00 0.00 O ATOM 915 ND2 ASN A 61 -2.346 6.894 13.989 1.00 0.00 N ATOM 0 H ASN A 61 0.668 5.952 14.229 1.00 0.00 H new ATOM 0 HA ASN A 61 0.763 8.740 13.300 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.438 7.195 15.645 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.429 8.946 15.589 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.200 6.857 13.433 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.994 6.050 14.441 1.00 0.00 H new ATOM 922 N THR A 62 3.146 7.614 14.954 1.00 0.00 N ATOM 923 CA THR A 62 4.473 7.909 15.528 1.00 0.00 C ATOM 924 C THR A 62 5.537 6.940 14.988 1.00 0.00 C ATOM 925 O THR A 62 5.469 5.729 15.221 1.00 0.00 O ATOM 926 CB THR A 62 4.431 7.907 17.071 1.00 0.00 C ATOM 927 OG1 THR A 62 5.721 8.177 17.578 1.00 0.00 O ATOM 928 CG2 THR A 62 3.910 6.625 17.734 1.00 0.00 C ATOM 0 H THR A 62 3.089 6.667 14.580 1.00 0.00 H new ATOM 0 HA THR A 62 4.756 8.914 15.215 1.00 0.00 H new ATOM 0 HB THR A 62 3.707 8.682 17.322 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.694 8.177 18.558 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.927 6.743 18.817 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.888 6.435 17.406 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.544 5.785 17.450 1.00 0.00 H new ATOM 936 N ARG A 63 6.517 7.435 14.214 1.00 0.00 N ATOM 937 CA ARG A 63 7.661 6.622 13.760 1.00 0.00 C ATOM 938 C ARG A 63 8.545 6.220 14.949 1.00 0.00 C ATOM 939 O ARG A 63 9.306 7.036 15.472 1.00 0.00 O ATOM 940 CB ARG A 63 8.473 7.351 12.673 1.00 0.00 C ATOM 941 CG ARG A 63 9.527 6.398 12.087 1.00 0.00 C ATOM 942 CD ARG A 63 10.506 7.082 11.134 1.00 0.00 C ATOM 943 NE ARG A 63 11.553 7.838 11.855 1.00 0.00 N ATOM 944 CZ ARG A 63 11.629 9.136 12.096 1.00 0.00 C ATOM 945 NH1 ARG A 63 10.702 9.972 11.725 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.657 9.624 12.727 1.00 0.00 N ATOM 0 H ARG A 63 6.541 8.401 13.887 1.00 0.00 H new ATOM 0 HA ARG A 63 7.269 5.710 13.310 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.809 7.703 11.884 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.959 8.230 13.097 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.086 5.942 12.904 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.021 5.591 11.557 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.975 6.331 10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.959 7.759 10.478 1.00 0.00 H new ATOM 0 HE ARG A 63 12.326 7.279 12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.878 9.633 11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.800 10.966 11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.406 9.005 13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.714 10.626 12.912 1.00 0.00 H new ATOM 960 N ASP A 64 8.471 4.949 15.340 1.00 0.00 N ATOM 961 CA ASP A 64 9.246 4.349 16.440 1.00 0.00 C ATOM 962 C ASP A 64 10.221 3.243 15.971 1.00 0.00 C ATOM 963 O ASP A 64 10.884 2.591 16.780 1.00 0.00 O ATOM 964 CB ASP A 64 8.253 3.858 17.508 1.00 0.00 C ATOM 965 CG ASP A 64 8.922 3.484 18.844 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.627 4.341 19.432 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.698 2.354 19.342 1.00 0.00 O ATOM 0 H ASP A 64 7.849 4.279 14.887 1.00 0.00 H new ATOM 0 HA ASP A 64 9.901 5.107 16.870 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.511 4.636 17.688 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.718 2.990 17.123 1.00 0.00 H new ATOM 972 N VAL A 65 10.317 3.019 14.655 1.00 0.00 N ATOM 973 CA VAL A 65 11.167 1.982 14.048 1.00 0.00 C ATOM 974 C VAL A 65 12.660 2.359 14.037 1.00 0.00 C ATOM 975 O VAL A 65 13.029 3.517 13.838 1.00 0.00 O ATOM 976 CB VAL A 65 10.647 1.627 12.638 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.619 2.806 11.659 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.470 0.499 12.019 1.00 0.00 C ATOM 0 H VAL A 65 9.797 3.563 13.967 1.00 0.00 H new ATOM 0 HA VAL A 65 11.099 1.093 14.675 1.00 0.00 H new ATOM 0 HB VAL A 65 9.615 1.313 12.796 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.241 2.469 10.694 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.969 3.588 12.050 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.628 3.201 11.536 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.083 0.269 11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.512 0.810 11.939 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.404 -0.388 12.649 1.00 0.00 H new ATOM 988 N ASP A 66 13.523 1.348 14.198 1.00 0.00 N ATOM 989 CA ASP A 66 14.994 1.428 14.081 1.00 0.00 C ATOM 990 C ASP A 66 15.590 0.319 13.173 1.00 0.00 C ATOM 991 O ASP A 66 16.808 0.176 13.067 1.00 0.00 O ATOM 992 CB ASP A 66 15.588 1.402 15.500 1.00 0.00 C ATOM 993 CG ASP A 66 17.065 1.840 15.551 1.00 0.00 C ATOM 994 OD1 ASP A 66 17.391 2.942 15.044 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.894 1.117 16.153 1.00 0.00 O ATOM 0 H ASP A 66 13.205 0.406 14.424 1.00 0.00 H new ATOM 0 HA ASP A 66 15.262 2.361 13.586 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.000 2.055 16.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.501 0.393 15.904 1.00 0.00 H new ATOM 1000 N CYS A 67 14.728 -0.465 12.507 1.00 0.00 N ATOM 1001 CA CYS A 67 15.045 -1.585 11.605 1.00 0.00 C ATOM 1002 C CYS A 67 16.026 -2.612 12.217 1.00 0.00 C ATOM 1003 O CYS A 67 17.010 -3.029 11.604 1.00 0.00 O ATOM 1004 CB CYS A 67 15.435 -1.036 10.224 1.00 0.00 C ATOM 1005 SG CYS A 67 14.258 0.191 9.585 1.00 0.00 S ATOM 0 H CYS A 67 13.721 -0.324 12.590 1.00 0.00 H new ATOM 0 HA CYS A 67 14.149 -2.189 11.459 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.425 -0.583 10.286 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.507 -1.863 9.518 1.00 0.00 H new ATOM 1010 N ASP A 68 15.730 -3.013 13.459 1.00 0.00 N ATOM 1011 CA ASP A 68 16.462 -3.984 14.289 1.00 0.00 C ATOM 1012 C ASP A 68 15.624 -4.481 15.487 1.00 0.00 C ATOM 1013 O ASP A 68 15.790 -5.613 15.934 1.00 0.00 O ATOM 1014 CB ASP A 68 17.766 -3.351 14.817 1.00 0.00 C ATOM 1015 CG ASP A 68 19.027 -3.939 14.160 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.123 -5.180 14.017 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.971 -3.174 13.850 1.00 0.00 O ATOM 0 H ASP A 68 14.915 -2.642 13.948 1.00 0.00 H new ATOM 0 HA ASP A 68 16.685 -4.841 13.654 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.739 -2.276 14.641 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.823 -3.496 15.896 1.00 0.00 H new ATOM 1022 N ASN A 69 14.688 -3.671 15.994 1.00 0.00 N ATOM 1023 CA ASN A 69 13.798 -4.003 17.115 1.00 0.00 C ATOM 1024 C ASN A 69 12.363 -4.353 16.679 1.00 0.00 C ATOM 1025 O ASN A 69 11.521 -4.684 17.512 1.00 0.00 O ATOM 1026 CB ASN A 69 13.875 -2.890 18.179 1.00 0.00 C ATOM 1027 CG ASN A 69 13.621 -1.456 17.734 1.00 0.00 C ATOM 1028 OD1 ASN A 69 14.269 -0.528 18.193 1.00 0.00 O ATOM 1029 ND2 ASN A 69 12.675 -1.191 16.862 1.00 0.00 N ATOM 0 H ASN A 69 14.523 -2.735 15.624 1.00 0.00 H new ATOM 0 HA ASN A 69 14.152 -4.927 17.571 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.157 -3.128 18.964 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.866 -2.929 18.631 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.495 -0.227 16.582 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.121 -1.949 16.465 1.00 0.00 H new ATOM 1036 N ILE A 70 12.081 -4.330 15.369 1.00 0.00 N ATOM 1037 CA ILE A 70 10.778 -4.688 14.775 1.00 0.00 C ATOM 1038 C ILE A 70 10.373 -6.149 15.011 1.00 0.00 C ATOM 1039 O ILE A 70 9.207 -6.498 14.844 1.00 0.00 O ATOM 1040 CB ILE A 70 10.734 -4.321 13.278 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.662 -5.200 12.405 1.00 0.00 C ATOM 1042 CG2 ILE A 70 11.021 -2.816 13.147 1.00 0.00 C ATOM 1043 CD1 ILE A 70 11.903 -4.637 11.003 1.00 0.00 C ATOM 0 H ILE A 70 12.771 -4.054 14.670 1.00 0.00 H new ATOM 0 HA ILE A 70 10.031 -4.091 15.299 1.00 0.00 H new ATOM 0 HB ILE A 70 9.739 -4.532 12.885 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.621 -5.314 12.911 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.227 -6.196 12.317 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.995 -2.531 12.095 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.265 -2.252 13.694 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.006 -2.596 13.559 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.562 -5.307 10.450 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.952 -4.549 10.478 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.367 -3.654 11.081 1.00 0.00 H new ATOM 1055 N MET A 71 11.302 -6.980 15.494 1.00 0.00 N ATOM 1056 CA MET A 71 11.013 -8.313 16.050 1.00 0.00 C ATOM 1057 C MET A 71 9.962 -8.277 17.185 1.00 0.00 C ATOM 1058 O MET A 71 9.159 -9.202 17.315 1.00 0.00 O ATOM 1059 CB MET A 71 12.337 -8.963 16.484 1.00 0.00 C ATOM 1060 CG MET A 71 12.191 -10.407 16.985 1.00 0.00 C ATOM 1061 SD MET A 71 11.817 -10.572 18.754 1.00 0.00 S ATOM 1062 CE MET A 71 11.424 -12.341 18.813 1.00 0.00 C ATOM 0 H MET A 71 12.294 -6.744 15.511 1.00 0.00 H new ATOM 0 HA MET A 71 10.554 -8.927 15.275 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.029 -8.950 15.642 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.784 -8.359 17.274 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.401 -10.895 16.415 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.115 -10.944 16.773 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.168 -12.623 19.834 1.00 0.00 H new ATOM 0 HE2 MET A 71 10.579 -12.548 18.157 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.289 -12.917 18.484 1.00 0.00 H new ATOM 1072 N SER A 72 9.908 -7.185 17.959 1.00 0.00 N ATOM 1073 CA SER A 72 8.907 -6.939 19.015 1.00 0.00 C ATOM 1074 C SER A 72 7.562 -6.377 18.505 1.00 0.00 C ATOM 1075 O SER A 72 6.669 -6.105 19.309 1.00 0.00 O ATOM 1076 CB SER A 72 9.488 -5.982 20.067 1.00 0.00 C ATOM 1077 OG SER A 72 10.623 -6.552 20.705 1.00 0.00 O ATOM 0 H SER A 72 10.579 -6.422 17.868 1.00 0.00 H new ATOM 0 HA SER A 72 8.686 -7.916 19.445 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.768 -5.041 19.593 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.727 -5.749 20.812 1.00 0.00 H new ATOM 0 HG SER A 72 10.975 -5.923 21.369 1.00 0.00 H new ATOM 1083 N THR A 73 7.394 -6.194 17.188 1.00 0.00 N ATOM 1084 CA THR A 73 6.197 -5.614 16.538 1.00 0.00 C ATOM 1085 C THR A 73 5.520 -6.619 15.593 1.00 0.00 C ATOM 1086 O THR A 73 5.952 -7.766 15.481 1.00 0.00 O ATOM 1087 CB THR A 73 6.531 -4.315 15.774 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.207 -4.605 14.572 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.372 -3.315 16.569 1.00 0.00 C ATOM 0 H THR A 73 8.114 -6.455 16.514 1.00 0.00 H new ATOM 0 HA THR A 73 5.499 -5.370 17.339 1.00 0.00 H new ATOM 0 HB THR A 73 5.565 -3.848 15.582 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.899 -5.278 14.740 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.561 -2.432 15.959 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.835 -3.024 17.472 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.321 -3.775 16.844 1.00 0.00 H new ATOM 1097 N ASN A 74 4.468 -6.201 14.876 1.00 0.00 N ATOM 1098 CA ASN A 74 3.828 -7.003 13.822 1.00 0.00 C ATOM 1099 C ASN A 74 4.744 -7.278 12.608 1.00 0.00 C ATOM 1100 O ASN A 74 4.490 -8.205 11.839 1.00 0.00 O ATOM 1101 CB ASN A 74 2.539 -6.297 13.359 1.00 0.00 C ATOM 1102 CG ASN A 74 1.561 -6.040 14.493 1.00 0.00 C ATOM 1103 OD1 ASN A 74 0.931 -6.944 15.023 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.410 -4.800 14.905 1.00 0.00 N ATOM 0 H ASN A 74 4.033 -5.289 15.012 1.00 0.00 H new ATOM 0 HA ASN A 74 3.602 -7.976 14.258 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.800 -5.348 12.890 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.052 -6.906 12.598 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.766 -4.591 15.668 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.937 -4.047 14.461 1.00 0.00 H new ATOM 1111 N LEU A 75 5.812 -6.492 12.428 1.00 0.00 N ATOM 1112 CA LEU A 75 6.702 -6.487 11.261 1.00 0.00 C ATOM 1113 C LEU A 75 7.878 -7.484 11.357 1.00 0.00 C ATOM 1114 O LEU A 75 8.806 -7.426 10.548 1.00 0.00 O ATOM 1115 CB LEU A 75 7.208 -5.043 11.053 1.00 0.00 C ATOM 1116 CG LEU A 75 6.176 -3.949 10.713 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.151 -4.409 9.681 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.441 -3.365 11.921 1.00 0.00 C ATOM 0 H LEU A 75 6.093 -5.807 13.129 1.00 0.00 H new ATOM 0 HA LEU A 75 6.127 -6.828 10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.728 -4.739 11.961 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.948 -5.062 10.253 1.00 0.00 H new ATOM 0 HG LEU A 75 6.788 -3.152 10.290 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.449 -3.600 9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.662 -4.685 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.608 -5.272 10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.736 -2.604 11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.900 -4.159 12.436 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.162 -2.916 12.603 1.00 0.00 H new ATOM 1130 N PHE A 76 7.842 -8.418 12.312 1.00 0.00 N ATOM 1131 CA PHE A 76 8.912 -9.363 12.668 1.00 0.00 C ATOM 1132 C PHE A 76 9.243 -10.398 11.586 1.00 0.00 C ATOM 1133 O PHE A 76 10.237 -11.120 11.683 1.00 0.00 O ATOM 1134 CB PHE A 76 8.529 -10.094 13.960 1.00 0.00 C ATOM 1135 CG PHE A 76 7.428 -11.138 13.842 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.074 -10.765 13.919 1.00 0.00 C ATOM 1137 CD2 PHE A 76 7.762 -12.498 13.693 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.062 -11.740 13.873 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.751 -13.475 13.637 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.400 -13.098 13.735 1.00 0.00 C ATOM 0 H PHE A 76 7.015 -8.545 12.895 1.00 0.00 H new ATOM 0 HA PHE A 76 9.812 -8.761 12.792 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.421 -10.580 14.355 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.219 -9.351 14.695 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.810 -9.722 14.014 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.799 -12.792 13.621 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.025 -11.446 13.944 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.013 -14.516 13.519 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.624 -13.849 13.704 1.00 0.00 H new ATOM 1150 N HIS A 77 8.410 -10.461 10.547 1.00 0.00 N ATOM 1151 CA HIS A 77 8.418 -11.436 9.450 1.00 0.00 C ATOM 1152 C HIS A 77 9.694 -11.448 8.578 1.00 0.00 C ATOM 1153 O HIS A 77 9.820 -12.311 7.710 1.00 0.00 O ATOM 1154 CB HIS A 77 7.175 -11.138 8.591 1.00 0.00 C ATOM 1155 CG HIS A 77 5.862 -11.209 9.335 1.00 0.00 C ATOM 1156 ND1 HIS A 77 5.463 -12.212 10.202 1.00 0.00 N ATOM 1157 CD2 HIS A 77 4.860 -10.281 9.267 1.00 0.00 C ATOM 1158 CE1 HIS A 77 4.233 -11.892 10.653 1.00 0.00 C ATOM 1159 NE2 HIS A 77 3.849 -10.721 10.102 1.00 0.00 N ATOM 0 H HIS A 77 7.655 -9.783 10.440 1.00 0.00 H new ATOM 0 HA HIS A 77 8.403 -12.433 9.889 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.279 -10.143 8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.146 -11.844 7.761 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.858 -9.378 8.675 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.648 -12.479 11.345 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.964 -10.242 10.272 1.00 0.00 H new ATOM 1168 N CYS A 78 10.610 -10.490 8.773 1.00 0.00 N ATOM 1169 CA CYS A 78 11.761 -10.176 7.902 1.00 0.00 C ATOM 1170 C CYS A 78 11.440 -10.275 6.387 1.00 0.00 C ATOM 1171 O CYS A 78 12.046 -11.024 5.615 1.00 0.00 O ATOM 1172 CB CYS A 78 13.021 -10.935 8.355 1.00 0.00 C ATOM 1173 SG CYS A 78 14.517 -10.599 7.370 1.00 0.00 S ATOM 0 H CYS A 78 10.570 -9.877 9.587 1.00 0.00 H new ATOM 0 HA CYS A 78 11.991 -9.118 8.029 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.225 -10.682 9.396 1.00 0.00 H new ATOM 0 HB3 CYS A 78 12.814 -12.005 8.321 1.00 0.00 H new ATOM 1178 N LYS A 79 10.453 -9.478 5.961 1.00 0.00 N ATOM 1179 CA LYS A 79 10.205 -9.113 4.556 1.00 0.00 C ATOM 1180 C LYS A 79 11.308 -8.195 3.994 1.00 0.00 C ATOM 1181 O LYS A 79 12.030 -7.548 4.750 1.00 0.00 O ATOM 1182 CB LYS A 79 8.785 -8.528 4.398 1.00 0.00 C ATOM 1183 CG LYS A 79 8.310 -7.546 5.485 1.00 0.00 C ATOM 1184 CD LYS A 79 9.092 -6.224 5.559 1.00 0.00 C ATOM 1185 CE LYS A 79 10.046 -6.074 6.760 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.316 -5.903 8.047 1.00 0.00 N ATOM 0 H LYS A 79 9.782 -9.055 6.602 1.00 0.00 H new ATOM 0 HA LYS A 79 10.249 -10.018 3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.733 -8.019 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.079 -9.358 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.258 -7.318 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.374 -8.042 6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.672 -6.116 4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.377 -5.402 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.687 -6.953 6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.697 -5.215 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.699 -5.082 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.305 -5.750 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.433 -6.757 8.629 1.00 0.00 H new ATOM 1200 N ASP A 80 11.416 -8.112 2.669 1.00 0.00 N ATOM 1201 CA ASP A 80 12.519 -7.449 1.949 1.00 0.00 C ATOM 1202 C ASP A 80 12.578 -5.921 2.132 1.00 0.00 C ATOM 1203 O ASP A 80 13.667 -5.341 2.126 1.00 0.00 O ATOM 1204 CB ASP A 80 12.425 -7.787 0.453 1.00 0.00 C ATOM 1205 CG ASP A 80 12.752 -9.264 0.178 1.00 0.00 C ATOM 1206 OD1 ASP A 80 11.900 -10.135 0.473 1.00 0.00 O ATOM 1207 OD2 ASP A 80 13.861 -9.555 -0.331 1.00 0.00 O ATOM 0 H ASP A 80 10.720 -8.515 2.041 1.00 0.00 H new ATOM 0 HA ASP A 80 13.440 -7.834 2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.421 -7.564 0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.112 -7.153 -0.107 1.00 0.00 H new ATOM 1212 N LYS A 81 11.425 -5.266 2.315 1.00 0.00 N ATOM 1213 CA LYS A 81 11.300 -3.857 2.724 1.00 0.00 C ATOM 1214 C LYS A 81 9.920 -3.551 3.306 1.00 0.00 C ATOM 1215 O LYS A 81 8.948 -4.229 2.977 1.00 0.00 O ATOM 1216 CB LYS A 81 11.612 -2.896 1.551 1.00 0.00 C ATOM 1217 CG LYS A 81 10.926 -3.273 0.230 1.00 0.00 C ATOM 1218 CD LYS A 81 10.985 -2.153 -0.824 1.00 0.00 C ATOM 1219 CE LYS A 81 10.043 -0.970 -0.540 1.00 0.00 C ATOM 1220 NZ LYS A 81 8.622 -1.278 -0.854 1.00 0.00 N ATOM 0 H LYS A 81 10.520 -5.716 2.178 1.00 0.00 H new ATOM 0 HA LYS A 81 12.039 -3.694 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.307 -1.888 1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.690 -2.871 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.397 -4.169 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.884 -3.523 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.008 -1.782 -0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.738 -2.573 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.126 -0.689 0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.362 -0.108 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.003 -0.602 -0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.469 -1.203 -1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.399 -2.244 -0.540 1.00 0.00 H new ATOM 1234 N ASN A 82 9.825 -2.508 4.134 1.00 0.00 N ATOM 1235 CA ASN A 82 8.560 -2.006 4.684 1.00 0.00 C ATOM 1236 C ASN A 82 8.460 -0.483 4.533 1.00 0.00 C ATOM 1237 O ASN A 82 9.226 0.255 5.152 1.00 0.00 O ATOM 1238 CB ASN A 82 8.399 -2.448 6.152 1.00 0.00 C ATOM 1239 CG ASN A 82 6.935 -2.665 6.509 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.255 -3.501 5.938 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.405 -1.954 7.472 1.00 0.00 N ATOM 0 H ASN A 82 10.638 -1.978 4.448 1.00 0.00 H new ATOM 0 HA ASN A 82 7.738 -2.439 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.956 -3.370 6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.828 -1.692 6.810 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.432 -2.102 7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.965 -1.252 7.956 1.00 0.00 H new ATOM 1248 N THR A 83 7.533 -0.015 3.696 1.00 0.00 N ATOM 1249 CA THR A 83 7.259 1.415 3.510 1.00 0.00 C ATOM 1250 C THR A 83 6.307 1.923 4.597 1.00 0.00 C ATOM 1251 O THR A 83 5.086 1.767 4.478 1.00 0.00 O ATOM 1252 CB THR A 83 6.661 1.677 2.117 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.516 1.176 1.109 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.465 3.173 1.888 1.00 0.00 C ATOM 0 H THR A 83 6.945 -0.620 3.123 1.00 0.00 H new ATOM 0 HA THR A 83 8.202 1.956 3.589 1.00 0.00 H new ATOM 0 HB THR A 83 5.697 1.170 2.070 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.380 1.637 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.041 3.337 0.897 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.787 3.571 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.427 3.681 1.960 1.00 0.00 H new ATOM 1262 N PHE A 84 6.848 2.520 5.663 1.00 0.00 N ATOM 1263 CA PHE A 84 6.046 3.166 6.703 1.00 0.00 C ATOM 1264 C PHE A 84 5.606 4.569 6.273 1.00 0.00 C ATOM 1265 O PHE A 84 6.422 5.385 5.829 1.00 0.00 O ATOM 1266 CB PHE A 84 6.789 3.251 8.039 1.00 0.00 C ATOM 1267 CG PHE A 84 7.171 1.929 8.662 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.180 1.088 9.205 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.526 1.561 8.740 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.551 -0.097 9.866 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.883 0.330 9.315 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.903 -0.485 9.913 1.00 0.00 C ATOM 0 H PHE A 84 7.853 2.568 5.828 1.00 0.00 H new ATOM 0 HA PHE A 84 5.165 2.540 6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.696 3.838 7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.166 3.798 8.746 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.137 1.353 9.114 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.290 2.223 8.359 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.797 -0.710 10.338 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.914 0.007 9.298 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.187 -1.403 10.405 1.00 0.00 H new ATOM 1282 N ILE A 85 4.321 4.862 6.466 1.00 0.00 N ATOM 1283 CA ILE A 85 3.720 6.189 6.288 1.00 0.00 C ATOM 1284 C ILE A 85 3.466 6.775 7.681 1.00 0.00 C ATOM 1285 O ILE A 85 2.640 6.247 8.430 1.00 0.00 O ATOM 1286 CB ILE A 85 2.420 6.074 5.458 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.706 5.527 4.039 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.678 7.421 5.364 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.436 5.041 3.333 1.00 0.00 C ATOM 0 H ILE A 85 3.643 4.159 6.761 1.00 0.00 H new ATOM 0 HA ILE A 85 4.386 6.854 5.737 1.00 0.00 H new ATOM 0 HB ILE A 85 1.775 5.368 5.981 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.176 6.307 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.418 4.705 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.771 7.296 4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.415 7.762 6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.323 8.159 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.691 4.667 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.979 4.241 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.733 5.868 3.239 1.00 0.00 H new ATOM 1301 N TYR A 86 4.168 7.848 8.048 1.00 0.00 N ATOM 1302 CA TYR A 86 3.823 8.647 9.225 1.00 0.00 C ATOM 1303 C TYR A 86 2.764 9.698 8.844 1.00 0.00 C ATOM 1304 O TYR A 86 3.088 10.827 8.466 1.00 0.00 O ATOM 1305 CB TYR A 86 5.099 9.216 9.865 1.00 0.00 C ATOM 1306 CG TYR A 86 4.929 10.136 11.067 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.773 10.099 11.877 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.957 11.051 11.375 1.00 0.00 C ATOM 1309 CE1 TYR A 86 3.632 11.000 12.948 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.826 11.942 12.458 1.00 0.00 C ATOM 1311 CZ TYR A 86 4.655 11.925 13.245 1.00 0.00 C ATOM 1312 OH TYR A 86 4.505 12.790 14.286 1.00 0.00 O ATOM 0 H TYR A 86 4.986 8.186 7.542 1.00 0.00 H new ATOM 0 HA TYR A 86 3.363 8.030 9.997 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.727 8.378 10.168 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.646 9.763 9.097 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.995 9.377 11.674 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.854 11.069 10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.734 10.984 13.547 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.621 12.637 12.686 1.00 0.00 H new ATOM 0 HH TYR A 86 5.300 13.359 14.356 1.00 0.00 H new ATOM 1322 N SER A 87 1.487 9.299 8.900 1.00 0.00 N ATOM 1323 CA SER A 87 0.320 10.172 8.686 1.00 0.00 C ATOM 1324 C SER A 87 -0.917 9.707 9.476 1.00 0.00 C ATOM 1325 O SER A 87 -0.957 8.592 10.004 1.00 0.00 O ATOM 1326 CB SER A 87 -0.009 10.247 7.191 1.00 0.00 C ATOM 1327 OG SER A 87 -0.889 11.330 6.952 1.00 0.00 O ATOM 0 H SER A 87 1.227 8.333 9.101 1.00 0.00 H new ATOM 0 HA SER A 87 0.584 11.162 9.057 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.906 10.375 6.613 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.467 9.314 6.862 1.00 0.00 H new ATOM 0 HG SER A 87 -0.549 11.870 6.209 1.00 0.00 H new ATOM 1333 N ARG A 88 -1.938 10.568 9.554 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.252 10.304 10.173 1.00 0.00 C ATOM 1335 C ARG A 88 -4.150 9.501 9.213 1.00 0.00 C ATOM 1336 O ARG A 88 -3.910 9.532 8.006 1.00 0.00 O ATOM 1337 CB ARG A 88 -3.901 11.649 10.566 1.00 0.00 C ATOM 1338 CG ARG A 88 -2.998 12.486 11.492 1.00 0.00 C ATOM 1339 CD ARG A 88 -3.736 13.694 12.082 1.00 0.00 C ATOM 1340 NE ARG A 88 -4.589 13.312 13.226 1.00 0.00 N ATOM 1341 CZ ARG A 88 -5.521 14.046 13.810 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -5.868 15.217 13.358 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -6.125 13.613 14.880 1.00 0.00 N ATOM 0 H ARG A 88 -1.873 11.511 9.172 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.123 9.701 11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.122 12.220 9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.852 11.459 11.064 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.628 11.857 12.302 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.128 12.831 10.934 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.011 14.441 12.403 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.350 14.157 11.310 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.443 12.378 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.416 15.597 12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.592 15.754 13.836 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.880 12.704 15.271 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.843 14.183 15.326 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.214 8.823 9.684 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.105 8.061 8.802 1.00 0.00 C ATOM 1359 C PRO A 89 -6.991 8.924 7.886 1.00 0.00 C ATOM 1360 O PRO A 89 -7.418 8.454 6.833 1.00 0.00 O ATOM 1361 CB PRO A 89 -6.947 7.188 9.737 1.00 0.00 C ATOM 1362 CG PRO A 89 -6.938 7.943 11.064 1.00 0.00 C ATOM 1363 CD PRO A 89 -5.557 8.593 11.082 1.00 0.00 C ATOM 0 HA PRO A 89 -5.513 7.478 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.961 7.061 9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.520 6.191 9.843 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.734 8.686 11.111 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.079 7.272 11.911 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.571 9.529 11.641 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.825 7.945 11.564 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.252 10.186 8.236 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.115 11.098 7.465 1.00 0.00 C ATOM 1373 C GLU A 90 -7.563 11.403 6.057 1.00 0.00 C ATOM 1374 O GLU A 90 -8.254 11.089 5.083 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.406 12.384 8.264 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.682 12.286 9.112 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.642 11.134 10.136 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -8.970 11.281 11.184 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -10.295 10.088 9.897 1.00 0.00 O ATOM 0 H GLU A 90 -6.865 10.614 9.077 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.061 10.581 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.559 12.600 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.499 13.222 7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.833 13.228 9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.539 12.148 8.453 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.330 11.934 5.894 1.00 0.00 N ATOM 1387 CA PRO A 91 -5.741 12.214 4.575 1.00 0.00 C ATOM 1388 C PRO A 91 -5.405 10.969 3.739 1.00 0.00 C ATOM 1389 O PRO A 91 -4.920 11.106 2.618 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.476 13.032 4.855 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.077 12.624 6.268 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.415 12.360 6.948 1.00 0.00 C ATOM 0 HA PRO A 91 -6.473 12.745 3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.688 12.806 4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.670 14.102 4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.444 11.736 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.518 13.413 6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.317 11.590 7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.784 13.258 7.444 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.661 9.768 4.262 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.510 8.468 3.589 1.00 0.00 C ATOM 1402 C VAL A 92 -6.880 7.963 3.126 1.00 0.00 C ATOM 1403 O VAL A 92 -7.078 7.711 1.939 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.807 7.461 4.526 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.477 6.156 3.798 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.490 7.997 5.111 1.00 0.00 C ATOM 0 H VAL A 92 -5.998 9.667 5.219 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.882 8.582 2.706 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.518 7.291 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.983 5.470 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.397 5.702 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.815 6.366 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.046 7.242 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.800 8.229 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.689 8.900 5.688 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.859 7.858 4.031 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.215 7.379 3.710 1.00 0.00 C ATOM 1418 C LYS A 93 -9.981 8.331 2.784 1.00 0.00 C ATOM 1419 O LYS A 93 -10.589 7.891 1.811 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.018 7.102 4.996 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.921 5.867 4.817 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.224 5.871 5.631 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.028 5.759 7.145 1.00 0.00 C ATOM 1424 NZ LYS A 93 -11.829 7.065 7.826 1.00 0.00 N ATOM 0 H LYS A 93 -7.736 8.103 5.013 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.093 6.444 3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.335 6.942 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.627 7.971 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.174 5.775 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.349 4.979 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.769 6.790 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.849 5.043 5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -12.897 5.264 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.166 5.122 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.771 6.915 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.947 7.501 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.629 7.694 7.612 1.00 0.00 H new ATOM 1438 N ALA A 94 -9.941 9.632 3.076 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.731 10.665 2.401 1.00 0.00 C ATOM 1440 C ALA A 94 -10.220 11.042 0.997 1.00 0.00 C ATOM 1441 O ALA A 94 -10.856 11.844 0.308 1.00 0.00 O ATOM 1442 CB ALA A 94 -10.789 11.901 3.300 1.00 0.00 C ATOM 0 H ALA A 94 -9.341 10.008 3.810 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.725 10.250 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.374 12.680 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.256 11.639 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.778 12.267 3.481 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.097 10.459 0.549 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.627 10.557 -0.843 1.00 0.00 C ATOM 1450 C ILE A 95 -9.740 10.127 -1.820 1.00 0.00 C ATOM 1451 O ILE A 95 -9.905 10.741 -2.877 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.339 9.726 -1.069 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.215 10.113 -0.083 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.808 9.917 -2.502 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.013 9.159 -0.107 1.00 0.00 C ATOM 0 H ILE A 95 -8.485 9.903 1.146 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.379 11.600 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.615 8.685 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.871 11.121 -0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.624 10.141 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.903 9.324 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.564 9.593 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.580 10.970 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.266 9.497 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.341 8.153 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.577 9.148 -1.106 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.549 9.128 -1.440 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.724 8.687 -2.188 1.00 0.00 C ATOM 1469 C CYS A 96 -13.054 9.042 -1.495 1.00 0.00 C ATOM 1470 O CYS A 96 -13.114 9.260 -0.281 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.602 7.185 -2.447 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.661 6.102 -1.000 1.00 0.00 S ATOM 0 H CYS A 96 -10.397 8.595 -0.584 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.749 9.225 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.403 6.891 -3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.662 7.005 -2.968 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.137 9.075 -2.287 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.516 9.374 -1.861 1.00 0.00 C ATOM 1479 C LYS A 97 -16.513 8.746 -2.842 1.00 0.00 C ATOM 1480 O LYS A 97 -16.679 9.231 -3.961 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.689 10.905 -1.721 1.00 0.00 C ATOM 1482 CG LYS A 97 -16.923 11.344 -0.909 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.246 11.336 -1.691 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.362 11.931 -0.821 1.00 0.00 C ATOM 1485 NZ LYS A 97 -20.651 12.012 -1.560 1.00 0.00 N ATOM 0 H LYS A 97 -14.074 8.886 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.718 8.935 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.796 11.316 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.753 11.342 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.024 10.687 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.750 12.350 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.141 11.913 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.502 10.317 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.492 11.320 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.071 12.927 -0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.381 12.419 -0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.533 12.615 -2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.941 11.059 -1.857 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.128 7.629 -2.448 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.101 6.883 -3.264 1.00 0.00 C ATOM 1501 C GLY A 98 -17.483 5.864 -4.232 1.00 0.00 C ATOM 1502 O GLY A 98 -18.208 5.250 -5.014 1.00 0.00 O ATOM 0 H GLY A 98 -16.963 7.205 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.787 6.360 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.694 7.595 -3.838 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.159 5.667 -4.196 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.430 4.746 -5.083 1.00 0.00 C ATOM 1508 C ILE A 99 -15.653 3.285 -4.667 1.00 0.00 C ATOM 1509 O ILE A 99 -15.221 2.847 -3.598 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.928 5.111 -5.177 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.777 6.545 -5.744 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.198 4.084 -6.065 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.335 7.015 -5.982 1.00 0.00 C ATOM 0 H ILE A 99 -15.551 6.152 -3.537 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.837 4.857 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.479 5.084 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.319 6.602 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.258 7.241 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -12.141 4.344 -6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.301 3.089 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.634 4.091 -7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.344 8.030 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.787 6.999 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.849 6.350 -6.696 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.311 2.525 -5.545 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.510 1.061 -5.473 1.00 0.00 C ATOM 1527 C ILE A 100 -15.684 0.342 -6.569 1.00 0.00 C ATOM 1528 O ILE A 100 -15.419 -0.856 -6.492 1.00 0.00 O ATOM 1529 CB ILE A 100 -18.026 0.717 -5.552 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.889 1.711 -4.732 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -18.284 -0.708 -5.036 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.385 1.388 -4.625 1.00 0.00 C ATOM 0 H ILE A 100 -16.746 2.929 -6.374 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.145 0.698 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.312 0.792 -6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.479 1.768 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.784 2.701 -5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -19.349 -0.930 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.728 -1.421 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.958 -0.784 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.881 2.154 -4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.824 1.364 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.514 0.417 -4.148 1.00 0.00 H new ATOM 1544 N ALA A 101 -15.203 1.096 -7.562 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.540 0.668 -8.801 1.00 0.00 C ATOM 1546 C ALA A 101 -13.058 0.241 -8.650 1.00 0.00 C ATOM 1547 O ALA A 101 -12.292 0.335 -9.615 1.00 0.00 O ATOM 1548 CB ALA A 101 -14.676 1.825 -9.799 1.00 0.00 C ATOM 0 H ALA A 101 -15.273 2.113 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 101 -15.032 -0.242 -9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -14.196 1.553 -10.739 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.732 2.030 -9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -14.197 2.715 -9.392 1.00 0.00 H new ATOM 1554 N SER A 102 -12.648 -0.176 -7.446 1.00 0.00 N ATOM 1555 CA SER A 102 -11.286 -0.617 -7.091 1.00 0.00 C ATOM 1556 C SER A 102 -10.163 0.246 -7.709 1.00 0.00 C ATOM 1557 O SER A 102 -9.372 -0.204 -8.546 1.00 0.00 O ATOM 1558 CB SER A 102 -11.133 -2.127 -7.339 1.00 0.00 C ATOM 1559 OG SER A 102 -11.391 -2.521 -8.680 1.00 0.00 O ATOM 0 H SER A 102 -13.286 -0.219 -6.651 1.00 0.00 H new ATOM 0 HA SER A 102 -11.156 -0.451 -6.022 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.120 -2.428 -7.071 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.811 -2.664 -6.676 1.00 0.00 H new ATOM 0 HG SER A 102 -11.274 -3.490 -8.764 1.00 0.00 H new ATOM 1565 N LYS A 103 -10.096 1.525 -7.307 1.00 0.00 N ATOM 1566 CA LYS A 103 -9.135 2.534 -7.798 1.00 0.00 C ATOM 1567 C LYS A 103 -8.905 3.634 -6.756 1.00 0.00 C ATOM 1568 O LYS A 103 -9.747 3.841 -5.891 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.702 3.145 -9.096 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.623 3.722 -10.023 1.00 0.00 C ATOM 1571 CD LYS A 103 -7.736 2.689 -10.750 1.00 0.00 C ATOM 1572 CE LYS A 103 -8.441 1.928 -11.887 1.00 0.00 C ATOM 1573 NZ LYS A 103 -9.199 0.735 -11.417 1.00 0.00 N ATOM 0 H LYS A 103 -10.732 1.902 -6.605 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.174 2.057 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.261 2.380 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.408 3.934 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -9.111 4.345 -10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.979 4.376 -9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.865 3.201 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.369 1.967 -10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.124 2.605 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.698 1.612 -12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.832 -0.117 -11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.088 0.637 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.207 0.851 -11.647 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.799 4.370 -6.818 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.649 5.678 -6.174 1.00 0.00 C ATOM 1589 C ASN A 104 -6.833 6.654 -7.044 1.00 0.00 C ATOM 1590 O ASN A 104 -6.511 6.358 -8.197 1.00 0.00 O ATOM 1591 CB ASN A 104 -7.006 5.477 -4.790 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.596 6.369 -3.710 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.233 7.373 -3.973 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.385 6.022 -2.465 1.00 0.00 N ATOM 0 H ASN A 104 -6.966 4.072 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.633 6.132 -6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.122 4.435 -4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.936 5.670 -4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.755 6.594 -1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.850 5.179 -2.254 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.471 7.806 -6.476 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.557 8.798 -7.062 1.00 0.00 C ATOM 1603 C VAL A 105 -4.410 9.050 -6.079 1.00 0.00 C ATOM 1604 O VAL A 105 -4.631 9.125 -4.870 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.311 10.107 -7.392 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.428 11.094 -8.166 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.562 9.859 -8.250 1.00 0.00 C ATOM 0 H VAL A 105 -6.818 8.088 -5.559 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.149 8.417 -7.998 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.595 10.522 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.995 12.000 -8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.552 11.346 -7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.108 10.638 -9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.057 10.808 -8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.271 9.391 -9.190 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.246 9.202 -7.714 1.00 0.00 H new ATOM 1617 N LEU A 106 -3.181 9.178 -6.586 1.00 0.00 N ATOM 1618 CA LEU A 106 -2.007 9.615 -5.822 1.00 0.00 C ATOM 1619 C LEU A 106 -2.286 10.910 -5.027 1.00 0.00 C ATOM 1620 O LEU A 106 -2.929 11.834 -5.532 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.845 9.812 -6.819 1.00 0.00 C ATOM 1622 CG LEU A 106 0.499 10.259 -6.217 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.152 9.144 -5.414 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.445 10.699 -7.328 1.00 0.00 C ATOM 0 H LEU A 106 -2.968 8.976 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.748 8.857 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.687 8.874 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.151 10.551 -7.560 1.00 0.00 H new ATOM 0 HG LEU A 106 0.298 11.093 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.099 9.497 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.492 8.848 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.334 8.287 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.394 11.014 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.616 9.867 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.002 11.531 -7.875 1.00 0.00 H new ATOM 1636 N THR A 107 -1.775 10.991 -3.796 1.00 0.00 N ATOM 1637 CA THR A 107 -1.845 12.216 -2.967 1.00 0.00 C ATOM 1638 C THR A 107 -1.103 13.420 -3.581 1.00 0.00 C ATOM 1639 O THR A 107 -0.372 13.304 -4.565 1.00 0.00 O ATOM 1640 CB THR A 107 -1.339 11.986 -1.524 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.723 10.737 -1.336 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.485 12.061 -0.518 1.00 0.00 C ATOM 0 H THR A 107 -1.299 10.214 -3.338 1.00 0.00 H new ATOM 0 HA THR A 107 -2.907 12.458 -2.936 1.00 0.00 H new ATOM 0 HB THR A 107 -0.607 12.777 -1.363 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.177 10.254 -0.614 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.098 11.895 0.487 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.951 13.045 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.225 11.296 -0.752 1.00 0.00 H new ATOM 1650 N THR A 108 -1.260 14.597 -2.965 1.00 0.00 N ATOM 1651 CA THR A 108 -0.635 15.870 -3.394 1.00 0.00 C ATOM 1652 C THR A 108 0.292 16.483 -2.331 1.00 0.00 C ATOM 1653 O THR A 108 1.297 17.116 -2.665 1.00 0.00 O ATOM 1654 CB THR A 108 -1.719 16.857 -3.868 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.131 18.001 -4.450 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.671 17.329 -2.763 1.00 0.00 C ATOM 0 H THR A 108 -1.839 14.702 -2.132 1.00 0.00 H new ATOM 0 HA THR A 108 0.019 15.645 -4.236 1.00 0.00 H new ATOM 0 HB THR A 108 -2.307 16.295 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 108 -1.835 18.616 -4.746 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.402 18.020 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.188 16.469 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.101 17.833 -1.983 1.00 0.00 H new ATOM 1664 N SER A 109 0.009 16.242 -1.046 1.00 0.00 N ATOM 1665 CA SER A 109 0.830 16.666 0.100 1.00 0.00 C ATOM 1666 C SER A 109 2.069 15.777 0.286 1.00 0.00 C ATOM 1667 O SER A 109 2.190 14.717 -0.330 1.00 0.00 O ATOM 1668 CB SER A 109 -0.018 16.638 1.382 1.00 0.00 C ATOM 1669 OG SER A 109 -1.181 17.442 1.243 1.00 0.00 O ATOM 0 H SER A 109 -0.826 15.729 -0.763 1.00 0.00 H new ATOM 0 HA SER A 109 1.177 17.679 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.307 15.612 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.576 16.995 2.223 1.00 0.00 H new ATOM 0 HG SER A 109 -1.704 17.406 2.071 1.00 0.00 H new ATOM 1675 N GLU A 110 2.995 16.189 1.154 1.00 0.00 N ATOM 1676 CA GLU A 110 4.262 15.493 1.409 1.00 0.00 C ATOM 1677 C GLU A 110 4.353 15.019 2.871 1.00 0.00 C ATOM 1678 O GLU A 110 4.498 15.823 3.795 1.00 0.00 O ATOM 1679 CB GLU A 110 5.457 16.372 1.002 1.00 0.00 C ATOM 1680 CG GLU A 110 5.313 16.951 -0.415 1.00 0.00 C ATOM 1681 CD GLU A 110 6.628 17.575 -0.924 1.00 0.00 C ATOM 1682 OE1 GLU A 110 7.128 18.546 -0.304 1.00 0.00 O ATOM 1683 OE2 GLU A 110 7.153 17.121 -1.970 1.00 0.00 O ATOM 0 H GLU A 110 2.884 17.035 1.713 1.00 0.00 H new ATOM 0 HA GLU A 110 4.295 14.598 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.561 17.190 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.372 15.782 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.999 16.162 -1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.528 17.707 -0.419 1.00 0.00 H new ATOM 1690 N PHE A 111 4.225 13.706 3.078 1.00 0.00 N ATOM 1691 CA PHE A 111 4.176 13.045 4.389 1.00 0.00 C ATOM 1692 C PHE A 111 5.538 12.429 4.734 1.00 0.00 C ATOM 1693 O PHE A 111 6.358 12.200 3.841 1.00 0.00 O ATOM 1694 CB PHE A 111 3.090 11.956 4.375 1.00 0.00 C ATOM 1695 CG PHE A 111 1.768 12.389 3.767 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.588 12.295 2.376 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.718 12.873 4.571 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.380 12.689 1.786 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.500 13.259 3.981 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.668 13.166 2.587 1.00 0.00 C ATOM 0 H PHE A 111 4.149 13.045 2.305 1.00 0.00 H new ATOM 0 HA PHE A 111 3.934 13.787 5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.465 11.095 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.913 11.625 5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.388 11.916 1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.847 12.948 5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.256 12.626 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.306 13.627 4.598 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.603 13.462 2.134 1.00 0.00 H new ATOM 1710 N TYR A 112 5.783 12.122 6.011 1.00 0.00 N ATOM 1711 CA TYR A 112 7.036 11.497 6.447 1.00 0.00 C ATOM 1712 C TYR A 112 7.085 10.030 5.995 1.00 0.00 C ATOM 1713 O TYR A 112 6.375 9.171 6.527 1.00 0.00 O ATOM 1714 CB TYR A 112 7.222 11.657 7.963 1.00 0.00 C ATOM 1715 CG TYR A 112 8.177 12.768 8.358 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.863 14.110 8.065 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.383 12.456 9.016 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.755 15.138 8.430 1.00 0.00 C ATOM 1719 CE2 TYR A 112 10.274 13.482 9.388 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.961 14.828 9.096 1.00 0.00 C ATOM 1721 OH TYR A 112 10.813 15.828 9.453 1.00 0.00 O ATOM 0 H TYR A 112 5.123 12.298 6.768 1.00 0.00 H new ATOM 0 HA TYR A 112 7.876 12.006 5.973 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.251 11.849 8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.587 10.716 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.939 14.351 7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.625 11.427 9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.516 16.166 8.200 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.196 13.239 9.896 1.00 0.00 H new ATOM 0 HH TYR A 112 11.595 15.446 9.903 1.00 0.00 H new ATOM 1731 N LEU A 113 7.910 9.759 4.983 1.00 0.00 N ATOM 1732 CA LEU A 113 8.122 8.440 4.391 1.00 0.00 C ATOM 1733 C LEU A 113 9.378 7.776 4.970 1.00 0.00 C ATOM 1734 O LEU A 113 10.489 8.312 4.907 1.00 0.00 O ATOM 1735 CB LEU A 113 8.172 8.568 2.855 1.00 0.00 C ATOM 1736 CG LEU A 113 6.912 8.063 2.131 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.798 6.541 2.201 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.609 8.686 2.631 1.00 0.00 C ATOM 0 H LEU A 113 8.472 10.484 4.536 1.00 0.00 H new ATOM 0 HA LEU A 113 7.287 7.786 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.330 9.615 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.035 8.014 2.485 1.00 0.00 H new ATOM 0 HG LEU A 113 7.045 8.382 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.897 6.219 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.671 6.089 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.745 6.228 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.770 8.276 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.481 8.461 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.645 9.766 2.492 1.00 0.00 H new ATOM 1750 N SER A 114 9.181 6.596 5.551 1.00 0.00 N ATOM 1751 CA SER A 114 10.188 5.833 6.287 1.00 0.00 C ATOM 1752 C SER A 114 10.276 4.423 5.708 1.00 0.00 C ATOM 1753 O SER A 114 9.495 3.537 6.050 1.00 0.00 O ATOM 1754 CB SER A 114 9.847 5.853 7.780 1.00 0.00 C ATOM 1755 OG SER A 114 10.747 5.051 8.528 1.00 0.00 O ATOM 0 H SER A 114 8.277 6.124 5.521 1.00 0.00 H new ATOM 0 HA SER A 114 11.175 6.282 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.879 6.878 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.829 5.493 7.927 1.00 0.00 H new ATOM 0 HG SER A 114 10.288 4.691 9.315 1.00 0.00 H new ATOM 1761 N ASP A 115 11.198 4.222 4.770 1.00 0.00 N ATOM 1762 CA ASP A 115 11.524 2.901 4.234 1.00 0.00 C ATOM 1763 C ASP A 115 12.707 2.274 4.991 1.00 0.00 C ATOM 1764 O ASP A 115 13.493 2.950 5.664 1.00 0.00 O ATOM 1765 CB ASP A 115 11.842 3.016 2.736 1.00 0.00 C ATOM 1766 CG ASP A 115 10.598 3.316 1.893 1.00 0.00 C ATOM 1767 OD1 ASP A 115 9.853 2.355 1.584 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.387 4.492 1.514 1.00 0.00 O ATOM 0 H ASP A 115 11.745 4.977 4.356 1.00 0.00 H new ATOM 0 HA ASP A 115 10.662 2.248 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.579 3.805 2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.295 2.086 2.392 1.00 0.00 H new ATOM 1773 N CYS A 116 12.856 0.960 4.827 1.00 0.00 N ATOM 1774 CA CYS A 116 14.057 0.193 5.156 1.00 0.00 C ATOM 1775 C CYS A 116 14.165 -0.979 4.179 1.00 0.00 C ATOM 1776 O CYS A 116 13.164 -1.645 3.922 1.00 0.00 O ATOM 1777 CB CYS A 116 13.978 -0.293 6.609 1.00 0.00 C ATOM 1778 SG CYS A 116 14.946 0.726 7.755 1.00 0.00 S ATOM 0 H CYS A 116 12.112 0.376 4.445 1.00 0.00 H new ATOM 0 HA CYS A 116 14.948 0.814 5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.936 -0.297 6.928 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.331 -1.323 6.661 1.00 0.00 H new ATOM 1783 N ASN A 117 15.358 -1.227 3.632 1.00 0.00 N ATOM 1784 CA ASN A 117 15.610 -2.259 2.613 1.00 0.00 C ATOM 1785 C ASN A 117 16.603 -3.301 3.142 1.00 0.00 C ATOM 1786 O ASN A 117 17.666 -2.919 3.630 1.00 0.00 O ATOM 1787 CB ASN A 117 16.145 -1.587 1.333 1.00 0.00 C ATOM 1788 CG ASN A 117 15.064 -0.903 0.517 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.521 -1.465 -0.421 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.726 0.329 0.824 1.00 0.00 N ATOM 0 H ASN A 117 16.197 -0.706 3.889 1.00 0.00 H new ATOM 0 HA ASN A 117 14.679 -2.776 2.379 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.903 -0.853 1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.636 -2.338 0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.012 0.813 0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.178 0.802 1.607 1.00 0.00 H new ATOM 1797 N VAL A 118 16.277 -4.595 3.073 1.00 0.00 N ATOM 1798 CA VAL A 118 17.144 -5.688 3.572 1.00 0.00 C ATOM 1799 C VAL A 118 18.538 -5.652 2.928 1.00 0.00 C ATOM 1800 O VAL A 118 18.686 -5.346 1.742 1.00 0.00 O ATOM 1801 CB VAL A 118 16.468 -7.060 3.353 1.00 0.00 C ATOM 1802 CG1 VAL A 118 17.401 -8.275 3.471 1.00 0.00 C ATOM 1803 CG2 VAL A 118 15.358 -7.280 4.380 1.00 0.00 C ATOM 0 H VAL A 118 15.401 -4.925 2.668 1.00 0.00 H new ATOM 0 HA VAL A 118 17.281 -5.537 4.643 1.00 0.00 H new ATOM 0 HB VAL A 118 16.102 -7.006 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 118 16.832 -9.189 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.194 -8.198 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.840 -8.301 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 118 14.893 -8.251 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.780 -7.250 5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.608 -6.496 4.278 1.00 0.00 H new ATOM 1813 N THR A 119 19.563 -6.016 3.705 1.00 0.00 N ATOM 1814 CA THR A 119 20.953 -6.181 3.245 1.00 0.00 C ATOM 1815 C THR A 119 21.574 -7.469 3.805 1.00 0.00 C ATOM 1816 O THR A 119 21.883 -7.579 4.995 1.00 0.00 O ATOM 1817 CB THR A 119 21.797 -4.917 3.493 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.126 -5.133 3.069 1.00 0.00 O ATOM 1819 CG2 THR A 119 21.819 -4.395 4.931 1.00 0.00 C ATOM 0 H THR A 119 19.450 -6.210 4.700 1.00 0.00 H new ATOM 0 HA THR A 119 20.941 -6.303 2.162 1.00 0.00 H new ATOM 0 HB THR A 119 21.299 -4.144 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.656 -4.324 3.229 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.444 -3.504 4.985 1.00 0.00 H new ATOM 0 HG22 THR A 119 20.805 -4.147 5.243 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.224 -5.162 5.591 1.00 0.00 H new ATOM 1827 N SER A 120 21.670 -8.492 2.945 1.00 0.00 N ATOM 1828 CA SER A 120 22.233 -9.827 3.235 1.00 0.00 C ATOM 1829 C SER A 120 23.752 -9.783 3.475 1.00 0.00 C ATOM 1830 O SER A 120 24.491 -9.269 2.601 1.00 0.00 O ATOM 1831 CB SER A 120 21.886 -10.779 2.086 1.00 0.00 C ATOM 1832 OG SER A 120 22.166 -12.117 2.463 1.00 0.00 O ATOM 1833 OXT SER A 120 24.206 -10.256 4.544 1.00 0.00 O ATOM 0 H SER A 120 21.343 -8.412 1.982 1.00 0.00 H new ATOM 0 HA SER A 120 21.788 -10.191 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 120 20.832 -10.679 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 120 22.460 -10.515 1.198 1.00 0.00 H new ATOM 0 HG SER A 120 21.940 -12.719 1.724 1.00 0.00 H new TER 1839 SER A 120