USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 TYR OH : rot -122:sc= 1.09 USER MOD Set 1.2: A 76 ASN : amide:sc= 1.22 K(o=2.3,f=0.99) USER MOD Set 2.1: A 52 SER OG : rot -101:sc= 1.21 USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.43 X(o=1.8,f=2.2) USER MOD Set 2.3: A 59 TYR OH : rot -15:sc= 1.06 USER MOD Set 3.1: A 38 ASN : amide:sc= 0.98 K(o=4.5,f=-0.87!) USER MOD Set 3.2: A 41 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0) USER MOD Set 3.3: A 51 TYR OH : rot -141:sc= 2.25 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.97) USER MOD Single : A 18 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.076) USER MOD Single : A 19 THR OG1 : rot 22:sc= 0.932 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.064) USER MOD Single : A 29 THR OG1 : rot 62:sc= 1.23 USER MOD Single : A 32 GLN : amide:sc= 0.494 K(o=0.49,f=-0.045) USER MOD Single : A 45 TYR OH : rot -50:sc= 0.00537 USER MOD Single : A 50 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.017) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -155:sc= 1.93 USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.05) USER MOD Single : A 71 ASN : amide:sc= 1.15 K(o=1.2,f=-0.049) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= 0.79 (180deg=0.697) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -8.410 1.194 6.386 1.00 0.00 N ATOM 2 CA LYS A 5 -9.468 1.769 5.566 1.00 0.00 C ATOM 3 C LYS A 5 -8.906 2.495 4.348 1.00 0.00 C ATOM 4 O LYS A 5 -9.631 2.774 3.398 1.00 0.00 O ATOM 5 CB LYS A 5 -10.320 2.729 6.407 1.00 0.00 C ATOM 6 CG LYS A 5 -9.495 3.680 7.263 1.00 0.00 C ATOM 7 CD LYS A 5 -10.348 4.750 7.929 1.00 0.00 C ATOM 8 CE LYS A 5 -9.495 5.660 8.802 1.00 0.00 C ATOM 9 NZ LYS A 5 -10.277 6.779 9.392 1.00 0.00 N ATOM 0 HA LYS A 5 -10.092 0.951 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.959 3.311 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.977 2.148 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.968 3.111 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.737 4.158 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.856 5.342 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.122 4.279 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.046 5.073 9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.677 6.066 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.652 7.369 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.685 7.357 8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.042 6.394 9.982 1.00 0.00 H new ATOM 23 N LEU A 6 -7.611 2.793 4.371 1.00 0.00 N ATOM 24 CA LEU A 6 -6.976 3.516 3.270 1.00 0.00 C ATOM 25 C LEU A 6 -6.231 2.556 2.357 1.00 0.00 C ATOM 26 O LEU A 6 -5.562 2.978 1.415 1.00 0.00 O ATOM 27 CB LEU A 6 -6.006 4.591 3.784 1.00 0.00 C ATOM 28 CG LEU A 6 -6.642 5.888 4.296 1.00 0.00 C ATOM 29 CD1 LEU A 6 -7.618 6.451 3.274 1.00 0.00 C ATOM 30 CD2 LEU A 6 -7.323 5.671 5.635 1.00 0.00 C ATOM 0 H LEU A 6 -6.982 2.547 5.135 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.770 4.008 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.412 4.159 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.316 4.843 2.979 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.846 6.618 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.057 7.371 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.090 6.662 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.407 5.723 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.765 6.608 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.104 4.918 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.589 5.331 6.366 1.00 0.00 H new ATOM 42 N ARG A 7 -6.374 1.270 2.647 1.00 0.00 N ATOM 43 CA ARG A 7 -5.676 0.202 1.939 1.00 0.00 C ATOM 44 C ARG A 7 -5.699 0.369 0.420 1.00 0.00 C ATOM 45 O ARG A 7 -4.652 0.314 -0.222 1.00 0.00 O ATOM 46 CB ARG A 7 -6.278 -1.139 2.362 1.00 0.00 C ATOM 47 CG ARG A 7 -6.463 -2.158 1.252 1.00 0.00 C ATOM 48 CD ARG A 7 -7.377 -3.283 1.706 1.00 0.00 C ATOM 49 NE ARG A 7 -7.305 -3.497 3.151 1.00 0.00 N ATOM 50 CZ ARG A 7 -8.265 -4.078 3.865 1.00 0.00 C ATOM 51 NH1 ARG A 7 -9.341 -4.569 3.259 1.00 0.00 N ATOM 52 NH2 ARG A 7 -8.153 -4.156 5.182 1.00 0.00 N ATOM 0 H ARG A 7 -6.986 0.933 3.390 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.622 0.244 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.639 -1.577 3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.248 -0.952 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.885 -1.672 0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.495 -2.564 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.404 -3.052 1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.104 -4.203 1.189 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.468 -3.182 3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.431 -4.501 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.077 -5.014 3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.331 -3.771 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.888 -4.601 5.731 1.00 0.00 H new ATOM 66 N TYR A 8 -6.876 0.587 -0.159 1.00 0.00 N ATOM 67 CA TYR A 8 -6.977 0.711 -1.609 1.00 0.00 C ATOM 68 C TYR A 8 -6.175 1.905 -2.111 1.00 0.00 C ATOM 69 O TYR A 8 -5.429 1.798 -3.085 1.00 0.00 O ATOM 70 CB TYR A 8 -8.429 0.846 -2.063 1.00 0.00 C ATOM 71 CG TYR A 8 -8.550 1.127 -3.545 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.202 0.165 -4.484 1.00 0.00 C ATOM 73 CD2 TYR A 8 -8.986 2.362 -4.005 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.290 0.426 -5.836 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.073 2.629 -5.357 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.724 1.658 -6.268 1.00 0.00 C ATOM 77 OH TYR A 8 -8.801 1.922 -7.614 1.00 0.00 O ATOM 0 H TYR A 8 -7.759 0.680 0.343 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.565 -0.203 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.967 -0.072 -1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.908 1.650 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.857 -0.803 -4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.262 3.127 -3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.019 -0.335 -6.553 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.413 3.596 -5.698 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.127 2.836 -7.750 1.00 0.00 H new ATOM 87 N ALA A 9 -6.331 3.036 -1.436 1.00 0.00 N ATOM 88 CA ALA A 9 -5.634 4.250 -1.827 1.00 0.00 C ATOM 89 C ALA A 9 -4.133 4.048 -1.738 1.00 0.00 C ATOM 90 O ALA A 9 -3.404 4.388 -2.661 1.00 0.00 O ATOM 91 CB ALA A 9 -6.065 5.426 -0.966 1.00 0.00 C ATOM 0 H ALA A 9 -6.932 3.136 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.896 4.475 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.529 6.322 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.137 5.586 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.839 5.214 0.079 1.00 0.00 H new ATOM 97 N ILE A 10 -3.682 3.470 -0.634 1.00 0.00 N ATOM 98 CA ILE A 10 -2.268 3.193 -0.442 1.00 0.00 C ATOM 99 C ILE A 10 -1.731 2.342 -1.589 1.00 0.00 C ATOM 100 O ILE A 10 -0.694 2.657 -2.166 1.00 0.00 O ATOM 101 CB ILE A 10 -2.006 2.485 0.907 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.484 3.369 2.063 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.527 2.154 1.066 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.315 2.735 3.427 1.00 0.00 C ATOM 0 H ILE A 10 -4.277 3.184 0.143 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.745 4.149 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.565 1.550 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.935 4.310 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.536 3.610 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.366 1.656 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.213 1.495 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.057 3.074 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.675 3.420 4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.887 1.808 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.261 2.519 3.600 1.00 0.00 H new ATOM 116 N LEU A 11 -2.464 1.290 -1.939 1.00 0.00 N ATOM 117 CA LEU A 11 -2.061 0.395 -3.018 1.00 0.00 C ATOM 118 C LEU A 11 -1.852 1.156 -4.330 1.00 0.00 C ATOM 119 O LEU A 11 -0.812 1.020 -4.976 1.00 0.00 O ATOM 120 CB LEU A 11 -3.106 -0.707 -3.228 1.00 0.00 C ATOM 121 CG LEU A 11 -3.313 -1.656 -2.043 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.419 -2.658 -2.352 1.00 0.00 C ATOM 123 CD2 LEU A 11 -2.017 -2.375 -1.701 1.00 0.00 C ATOM 0 H LEU A 11 -3.343 1.036 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.113 -0.057 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.061 -0.237 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.816 -1.297 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.614 -1.067 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.554 -3.325 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.349 -2.124 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.146 -3.242 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.184 -3.044 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.684 -2.953 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.253 -1.643 -1.438 1.00 0.00 H new ATOM 135 N LYS A 12 -2.831 1.972 -4.714 1.00 0.00 N ATOM 136 CA LYS A 12 -2.771 2.657 -6.001 1.00 0.00 C ATOM 137 C LYS A 12 -1.825 3.861 -5.962 1.00 0.00 C ATOM 138 O LYS A 12 -1.203 4.192 -6.971 1.00 0.00 O ATOM 139 CB LYS A 12 -4.182 3.045 -6.491 1.00 0.00 C ATOM 140 CG LYS A 12 -5.004 3.901 -5.530 1.00 0.00 C ATOM 141 CD LYS A 12 -4.670 5.381 -5.648 1.00 0.00 C ATOM 142 CE LYS A 12 -4.871 5.891 -7.066 1.00 0.00 C ATOM 143 NZ LYS A 12 -4.488 7.319 -7.203 1.00 0.00 N ATOM 0 H LYS A 12 -3.664 2.173 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.355 1.958 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.084 3.582 -7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.738 2.131 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.065 3.753 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.824 3.570 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.298 5.952 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.636 5.546 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.279 5.289 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.916 5.767 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.379 7.554 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.228 7.919 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.588 7.486 -6.709 1.00 0.00 H new ATOM 157 N GLU A 13 -1.692 4.500 -4.800 1.00 0.00 N ATOM 158 CA GLU A 13 -0.759 5.616 -4.656 1.00 0.00 C ATOM 159 C GLU A 13 0.679 5.097 -4.623 1.00 0.00 C ATOM 160 O GLU A 13 1.625 5.830 -4.904 1.00 0.00 O ATOM 161 CB GLU A 13 -1.061 6.443 -3.397 1.00 0.00 C ATOM 162 CG GLU A 13 -2.430 7.122 -3.404 1.00 0.00 C ATOM 163 CD GLU A 13 -2.553 8.247 -4.419 1.00 0.00 C ATOM 164 OE1 GLU A 13 -2.474 7.976 -5.637 1.00 0.00 O ATOM 165 OE2 GLU A 13 -2.771 9.407 -4.000 1.00 0.00 O ATOM 0 H GLU A 13 -2.212 4.267 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.882 6.272 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.996 5.792 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.291 7.206 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.195 6.374 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.633 7.519 -2.409 1.00 0.00 H new ATOM 172 N ILE A 14 0.838 3.826 -4.267 1.00 0.00 N ATOM 173 CA ILE A 14 2.126 3.154 -4.394 1.00 0.00 C ATOM 174 C ILE A 14 2.377 2.796 -5.855 1.00 0.00 C ATOM 175 O ILE A 14 3.424 3.122 -6.417 1.00 0.00 O ATOM 176 CB ILE A 14 2.195 1.864 -3.536 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.244 2.210 -2.045 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.399 1.012 -3.923 1.00 0.00 C ATOM 179 CD1 ILE A 14 2.267 0.996 -1.137 1.00 0.00 C ATOM 0 H ILE A 14 0.092 3.242 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 14 2.891 3.842 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 14 1.292 1.284 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.130 2.815 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.378 2.823 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.423 0.114 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.322 0.729 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.314 1.583 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.302 1.320 -0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.369 0.401 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.147 0.393 -1.358 1.00 0.00 H new ATOM 191 N PHE A 15 1.382 2.156 -6.459 1.00 0.00 N ATOM 192 CA PHE A 15 1.462 1.686 -7.838 1.00 0.00 C ATOM 193 C PHE A 15 1.794 2.825 -8.802 1.00 0.00 C ATOM 194 O PHE A 15 2.602 2.661 -9.716 1.00 0.00 O ATOM 195 CB PHE A 15 0.128 1.031 -8.221 1.00 0.00 C ATOM 196 CG PHE A 15 0.136 0.338 -9.553 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.744 -0.898 -9.699 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.472 0.917 -10.652 1.00 0.00 C ATOM 199 CE1 PHE A 15 0.748 -1.543 -10.920 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.473 0.277 -11.876 1.00 0.00 C ATOM 201 CZ PHE A 15 0.137 -0.955 -12.011 1.00 0.00 C ATOM 0 H PHE A 15 0.493 1.947 -6.004 1.00 0.00 H new ATOM 0 HA PHE A 15 2.268 0.956 -7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.142 0.308 -7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.649 1.795 -8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.220 -1.363 -8.848 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.951 1.880 -10.552 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.228 -2.505 -11.022 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.950 0.740 -12.727 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.136 -1.457 -12.967 1.00 0.00 H new ATOM 211 N GLU A 16 1.179 3.979 -8.590 1.00 0.00 N ATOM 212 CA GLU A 16 1.395 5.121 -9.469 1.00 0.00 C ATOM 213 C GLU A 16 2.440 6.079 -8.903 1.00 0.00 C ATOM 214 O GLU A 16 3.106 6.796 -9.650 1.00 0.00 O ATOM 215 CB GLU A 16 0.085 5.870 -9.693 1.00 0.00 C ATOM 216 CG GLU A 16 -1.015 5.014 -10.292 1.00 0.00 C ATOM 217 CD GLU A 16 -2.251 5.817 -10.625 1.00 0.00 C ATOM 218 OE1 GLU A 16 -2.310 6.396 -11.729 1.00 0.00 O ATOM 219 OE2 GLU A 16 -3.174 5.871 -9.790 1.00 0.00 O ATOM 0 H GLU A 16 0.530 4.150 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 16 1.765 4.736 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.259 6.274 -8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.271 6.719 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.644 4.531 -11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.277 4.221 -9.591 1.00 0.00 H new ATOM 226 N GLY A 17 2.587 6.083 -7.585 1.00 0.00 N ATOM 227 CA GLY A 17 3.467 7.039 -6.935 1.00 0.00 C ATOM 228 C GLY A 17 4.918 6.607 -6.921 1.00 0.00 C ATOM 229 O GLY A 17 5.796 7.422 -6.640 1.00 0.00 O ATOM 0 H GLY A 17 2.112 5.440 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.386 8.000 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.131 7.192 -5.909 1.00 0.00 H new ATOM 233 N ASN A 18 5.160 5.317 -7.183 1.00 0.00 N ATOM 234 CA ASN A 18 6.522 4.758 -7.279 1.00 0.00 C ATOM 235 C ASN A 18 7.149 4.562 -5.894 1.00 0.00 C ATOM 236 O ASN A 18 8.151 3.862 -5.760 1.00 0.00 O ATOM 237 CB ASN A 18 7.423 5.653 -8.152 1.00 0.00 C ATOM 238 CG ASN A 18 8.825 5.099 -8.346 1.00 0.00 C ATOM 239 OD1 ASN A 18 9.081 4.345 -9.284 1.00 0.00 O ATOM 240 ND2 ASN A 18 9.745 5.471 -7.467 1.00 0.00 N ATOM 0 H ASN A 18 4.422 4.629 -7.335 1.00 0.00 H new ATOM 0 HA ASN A 18 6.439 3.780 -7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.955 5.784 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.491 6.641 -7.696 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.702 5.130 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.495 6.098 -6.702 1.00 0.00 H new ATOM 247 N THR A 19 6.521 5.166 -4.876 1.00 0.00 N ATOM 248 CA THR A 19 7.017 5.194 -3.486 1.00 0.00 C ATOM 249 C THR A 19 8.407 5.842 -3.366 1.00 0.00 C ATOM 250 O THR A 19 9.158 5.929 -4.339 1.00 0.00 O ATOM 251 CB THR A 19 6.999 3.803 -2.786 1.00 0.00 C ATOM 252 OG1 THR A 19 7.632 2.791 -3.571 1.00 0.00 O ATOM 253 CG2 THR A 19 5.577 3.379 -2.479 1.00 0.00 C ATOM 0 H THR A 19 5.636 5.660 -4.994 1.00 0.00 H new ATOM 0 HA THR A 19 6.304 5.824 -2.955 1.00 0.00 H new ATOM 0 HB THR A 19 7.562 3.914 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.250 3.209 -4.207 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.585 2.405 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.113 4.112 -1.819 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.008 3.315 -3.407 1.00 0.00 H new ATOM 261 N PRO A 20 8.757 6.352 -2.168 1.00 0.00 N ATOM 262 CA PRO A 20 7.907 6.298 -0.976 1.00 0.00 C ATOM 263 C PRO A 20 6.763 7.310 -1.044 1.00 0.00 C ATOM 264 O PRO A 20 6.808 8.259 -1.831 1.00 0.00 O ATOM 265 CB PRO A 20 8.854 6.670 0.176 1.00 0.00 C ATOM 266 CG PRO A 20 10.214 6.810 -0.426 1.00 0.00 C ATOM 267 CD PRO A 20 10.011 7.055 -1.891 1.00 0.00 C ATOM 0 HA PRO A 20 7.441 5.319 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.542 7.600 0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.848 5.900 0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.758 7.636 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.805 5.909 -0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.936 8.119 -2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.835 6.660 -2.485 1.00 0.00 H new ATOM 275 N LEU A 21 5.745 7.105 -0.229 1.00 0.00 N ATOM 276 CA LEU A 21 4.651 8.055 -0.131 1.00 0.00 C ATOM 277 C LEU A 21 4.485 8.478 1.320 1.00 0.00 C ATOM 278 O LEU A 21 4.265 7.645 2.198 1.00 0.00 O ATOM 279 CB LEU A 21 3.334 7.481 -0.689 1.00 0.00 C ATOM 280 CG LEU A 21 2.708 6.308 0.081 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.277 6.079 -0.381 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.519 5.038 -0.106 1.00 0.00 C ATOM 0 H LEU A 21 5.652 6.289 0.375 1.00 0.00 H new ATOM 0 HA LEU A 21 4.895 8.925 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.603 8.288 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.512 7.158 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 21 2.707 6.563 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.845 5.245 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.688 6.978 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.271 5.849 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.054 4.224 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.554 4.781 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.533 5.196 0.263 1.00 0.00 H new ATOM 294 N SER A 22 4.630 9.768 1.573 1.00 0.00 N ATOM 295 CA SER A 22 4.570 10.281 2.929 1.00 0.00 C ATOM 296 C SER A 22 3.140 10.246 3.466 1.00 0.00 C ATOM 297 O SER A 22 2.167 10.284 2.705 1.00 0.00 O ATOM 298 CB SER A 22 5.122 11.704 2.968 1.00 0.00 C ATOM 299 OG SER A 22 6.346 11.787 2.250 1.00 0.00 O ATOM 0 H SER A 22 4.790 10.477 0.858 1.00 0.00 H new ATOM 0 HA SER A 22 5.181 9.644 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.395 12.393 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.280 12.010 4.002 1.00 0.00 H new ATOM 0 HG SER A 22 6.684 12.706 2.284 1.00 0.00 H new ATOM 305 N GLU A 23 3.027 10.210 4.783 1.00 0.00 N ATOM 306 CA GLU A 23 1.743 10.070 5.454 1.00 0.00 C ATOM 307 C GLU A 23 0.924 11.347 5.319 1.00 0.00 C ATOM 308 O GLU A 23 -0.280 11.299 5.057 1.00 0.00 O ATOM 309 CB GLU A 23 1.917 9.674 6.940 1.00 0.00 C ATOM 310 CG GLU A 23 2.892 10.531 7.758 1.00 0.00 C ATOM 311 CD GLU A 23 4.338 10.397 7.312 1.00 0.00 C ATOM 312 OE1 GLU A 23 5.026 9.471 7.775 1.00 0.00 O ATOM 313 OE2 GLU A 23 4.785 11.204 6.473 1.00 0.00 O ATOM 0 H GLU A 23 3.822 10.277 5.418 1.00 0.00 H new ATOM 0 HA GLU A 23 1.199 9.262 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.940 9.712 7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.253 8.638 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.593 11.577 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.817 10.250 8.809 1.00 0.00 H new ATOM 320 N ASN A 24 1.590 12.485 5.450 1.00 0.00 N ATOM 321 CA ASN A 24 0.923 13.779 5.335 1.00 0.00 C ATOM 322 C ASN A 24 0.567 14.069 3.878 1.00 0.00 C ATOM 323 O ASN A 24 -0.296 14.898 3.598 1.00 0.00 O ATOM 324 CB ASN A 24 1.813 14.899 5.893 1.00 0.00 C ATOM 325 CG ASN A 24 3.030 15.174 5.026 1.00 0.00 C ATOM 326 OD1 ASN A 24 4.053 14.502 5.146 1.00 0.00 O ATOM 327 ND2 ASN A 24 2.934 16.173 4.163 1.00 0.00 N ATOM 0 H ASN A 24 2.591 12.541 5.636 1.00 0.00 H new ATOM 0 HA ASN A 24 0.004 13.741 5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.225 15.812 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.142 14.629 6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.727 16.410 3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.067 16.706 4.094 1.00 0.00 H new ATOM 334 N ASP A 25 1.226 13.371 2.960 1.00 0.00 N ATOM 335 CA ASP A 25 0.993 13.569 1.533 1.00 0.00 C ATOM 336 C ASP A 25 -0.245 12.798 1.087 1.00 0.00 C ATOM 337 O ASP A 25 -1.100 13.329 0.375 1.00 0.00 O ATOM 338 CB ASP A 25 2.215 13.122 0.720 1.00 0.00 C ATOM 339 CG ASP A 25 2.107 13.471 -0.755 1.00 0.00 C ATOM 340 OD1 ASP A 25 1.500 12.692 -1.518 1.00 0.00 O ATOM 341 OD2 ASP A 25 2.646 14.522 -1.160 1.00 0.00 O ATOM 0 H ASP A 25 1.926 12.662 3.178 1.00 0.00 H new ATOM 0 HA ASP A 25 0.828 14.632 1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.110 13.588 1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.340 12.044 0.824 1.00 0.00 H new ATOM 346 N ILE A 26 -0.344 11.545 1.524 1.00 0.00 N ATOM 347 CA ILE A 26 -1.482 10.704 1.176 1.00 0.00 C ATOM 348 C ILE A 26 -2.724 11.128 1.970 1.00 0.00 C ATOM 349 O ILE A 26 -3.841 11.120 1.445 1.00 0.00 O ATOM 350 CB ILE A 26 -1.145 9.194 1.383 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.262 8.269 0.851 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.851 8.893 2.845 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.418 8.048 1.811 1.00 0.00 C ATOM 0 H ILE A 26 0.350 11.092 2.119 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.705 10.839 0.118 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.247 8.988 0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.653 8.691 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.825 7.302 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.620 7.834 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.001 9.488 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.723 9.141 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.152 7.386 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.046 7.594 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.887 9.004 2.042 1.00 0.00 H new ATOM 365 N GLY A 27 -2.527 11.524 3.225 1.00 0.00 N ATOM 366 CA GLY A 27 -3.630 12.027 4.025 1.00 0.00 C ATOM 367 C GLY A 27 -3.948 11.158 5.226 1.00 0.00 C ATOM 368 O GLY A 27 -5.108 11.044 5.623 1.00 0.00 O ATOM 0 H GLY A 27 -1.625 11.506 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.391 13.034 4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.518 12.106 3.398 1.00 0.00 H new ATOM 372 N VAL A 28 -2.925 10.546 5.811 1.00 0.00 N ATOM 373 CA VAL A 28 -3.106 9.718 6.999 1.00 0.00 C ATOM 374 C VAL A 28 -1.978 9.963 7.985 1.00 0.00 C ATOM 375 O VAL A 28 -1.045 10.710 7.699 1.00 0.00 O ATOM 376 CB VAL A 28 -3.148 8.206 6.672 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.336 7.867 5.789 1.00 0.00 C ATOM 378 CG2 VAL A 28 -1.850 7.747 6.021 1.00 0.00 C ATOM 0 H VAL A 28 -1.961 10.607 5.483 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.067 10.002 7.429 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.263 7.671 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.338 6.798 5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.259 8.137 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.265 8.422 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.910 6.681 5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.693 8.299 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.017 7.933 6.699 1.00 0.00 H new ATOM 388 N THR A 29 -2.079 9.363 9.154 1.00 0.00 N ATOM 389 CA THR A 29 -0.982 9.378 10.102 1.00 0.00 C ATOM 390 C THR A 29 -0.011 8.251 9.803 1.00 0.00 C ATOM 391 O THR A 29 -0.385 7.224 9.236 1.00 0.00 O ATOM 392 CB THR A 29 -1.475 9.291 11.560 1.00 0.00 C ATOM 393 OG1 THR A 29 -0.421 8.874 12.444 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.660 8.348 11.690 1.00 0.00 C ATOM 0 H THR A 29 -2.908 8.860 9.470 1.00 0.00 H new ATOM 0 HA THR A 29 -0.467 10.332 9.990 1.00 0.00 H new ATOM 0 HB THR A 29 -1.796 10.292 11.848 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.300 9.537 12.429 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.982 8.310 12.731 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.481 8.707 11.069 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.368 7.350 11.364 1.00 0.00 H new ATOM 402 N GLU A 30 1.226 8.454 10.205 1.00 0.00 N ATOM 403 CA GLU A 30 2.301 7.515 9.939 1.00 0.00 C ATOM 404 C GLU A 30 2.106 6.220 10.721 1.00 0.00 C ATOM 405 O GLU A 30 2.523 5.154 10.275 1.00 0.00 O ATOM 406 CB GLU A 30 3.662 8.147 10.266 1.00 0.00 C ATOM 407 CG GLU A 30 3.773 8.742 11.666 1.00 0.00 C ATOM 408 CD GLU A 30 3.104 10.098 11.811 1.00 0.00 C ATOM 409 OE1 GLU A 30 1.881 10.146 12.067 1.00 0.00 O ATOM 410 OE2 GLU A 30 3.801 11.125 11.679 1.00 0.00 O ATOM 0 H GLU A 30 1.518 9.279 10.729 1.00 0.00 H new ATOM 0 HA GLU A 30 2.280 7.270 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.436 7.389 10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.867 8.930 9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.329 8.050 12.381 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.827 8.837 11.928 1.00 0.00 H new ATOM 417 N ASP A 31 1.446 6.315 11.871 1.00 0.00 N ATOM 418 CA ASP A 31 1.185 5.144 12.706 1.00 0.00 C ATOM 419 C ASP A 31 0.224 4.189 12.005 1.00 0.00 C ATOM 420 O ASP A 31 0.416 2.972 12.011 1.00 0.00 O ATOM 421 CB ASP A 31 0.611 5.569 14.060 1.00 0.00 C ATOM 422 CG ASP A 31 0.379 4.395 14.998 1.00 0.00 C ATOM 423 OD1 ASP A 31 1.369 3.793 15.463 1.00 0.00 O ATOM 424 OD2 ASP A 31 -0.800 4.081 15.286 1.00 0.00 O ATOM 0 H ASP A 31 1.081 7.190 12.247 1.00 0.00 H new ATOM 0 HA ASP A 31 2.130 4.627 12.873 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.293 6.276 14.532 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.332 6.093 13.901 1.00 0.00 H new ATOM 429 N GLN A 32 -0.808 4.750 11.390 1.00 0.00 N ATOM 430 CA GLN A 32 -1.765 3.953 10.635 1.00 0.00 C ATOM 431 C GLN A 32 -1.207 3.616 9.263 1.00 0.00 C ATOM 432 O GLN A 32 -1.645 2.665 8.625 1.00 0.00 O ATOM 433 CB GLN A 32 -3.103 4.684 10.498 1.00 0.00 C ATOM 434 CG GLN A 32 -4.098 4.375 11.608 1.00 0.00 C ATOM 435 CD GLN A 32 -3.525 4.602 12.992 1.00 0.00 C ATOM 436 OE1 GLN A 32 -3.621 5.698 13.542 1.00 0.00 O ATOM 437 NE2 GLN A 32 -2.921 3.569 13.561 1.00 0.00 N ATOM 0 H GLN A 32 -1.004 5.751 11.399 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.939 3.027 11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.918 5.758 10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.551 4.422 9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.983 4.998 11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.423 3.338 11.520 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.864 2.677 13.069 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.513 3.666 14.491 1.00 0.00 H new ATOM 446 N PHE A 33 -0.237 4.403 8.818 1.00 0.00 N ATOM 447 CA PHE A 33 0.422 4.157 7.548 1.00 0.00 C ATOM 448 C PHE A 33 1.203 2.851 7.609 1.00 0.00 C ATOM 449 O PHE A 33 0.976 1.946 6.806 1.00 0.00 O ATOM 450 CB PHE A 33 1.355 5.320 7.196 1.00 0.00 C ATOM 451 CG PHE A 33 2.083 5.144 5.895 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.471 5.472 4.696 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.378 4.650 5.871 1.00 0.00 C ATOM 454 CE1 PHE A 33 2.137 5.309 3.499 1.00 0.00 C ATOM 455 CE2 PHE A 33 4.049 4.487 4.675 1.00 0.00 C ATOM 456 CZ PHE A 33 3.427 4.816 3.488 1.00 0.00 C ATOM 0 H PHE A 33 0.110 5.219 9.322 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.337 4.076 6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.772 6.240 7.153 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.085 5.442 7.996 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.463 5.859 4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.868 4.390 6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.650 5.567 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.058 4.103 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.949 4.688 2.551 1.00 0.00 H new ATOM 466 N ASP A 34 2.106 2.745 8.582 1.00 0.00 N ATOM 467 CA ASP A 34 2.937 1.551 8.714 1.00 0.00 C ATOM 468 C ASP A 34 2.086 0.359 9.133 1.00 0.00 C ATOM 469 O ASP A 34 2.341 -0.774 8.720 1.00 0.00 O ATOM 470 CB ASP A 34 4.082 1.777 9.714 1.00 0.00 C ATOM 471 CG ASP A 34 3.654 1.683 11.167 1.00 0.00 C ATOM 472 OD1 ASP A 34 3.272 2.713 11.747 1.00 0.00 O ATOM 473 OD2 ASP A 34 3.719 0.574 11.742 1.00 0.00 O ATOM 0 H ASP A 34 2.280 3.464 9.284 1.00 0.00 H new ATOM 0 HA ASP A 34 3.382 1.339 7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.865 1.042 9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.518 2.760 9.536 1.00 0.00 H new ATOM 478 N ASP A 35 1.063 0.629 9.939 1.00 0.00 N ATOM 479 CA ASP A 35 0.131 -0.403 10.377 1.00 0.00 C ATOM 480 C ASP A 35 -0.584 -1.040 9.187 1.00 0.00 C ATOM 481 O ASP A 35 -0.608 -2.265 9.046 1.00 0.00 O ATOM 482 CB ASP A 35 -0.888 0.198 11.345 1.00 0.00 C ATOM 483 CG ASP A 35 -1.953 -0.787 11.769 1.00 0.00 C ATOM 484 OD1 ASP A 35 -1.604 -1.902 12.205 1.00 0.00 O ATOM 485 OD2 ASP A 35 -3.150 -0.441 11.680 1.00 0.00 O ATOM 0 H ASP A 35 0.859 1.560 10.303 1.00 0.00 H new ATOM 0 HA ASP A 35 0.696 -1.184 10.886 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.368 0.565 12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.364 1.059 10.875 1.00 0.00 H new ATOM 490 N ALA A 36 -1.143 -0.197 8.323 1.00 0.00 N ATOM 491 CA ALA A 36 -1.859 -0.669 7.143 1.00 0.00 C ATOM 492 C ALA A 36 -0.943 -1.472 6.226 1.00 0.00 C ATOM 493 O ALA A 36 -1.314 -2.542 5.754 1.00 0.00 O ATOM 494 CB ALA A 36 -2.465 0.504 6.390 1.00 0.00 C ATOM 0 H ALA A 36 -1.113 0.818 8.419 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.661 -1.327 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.996 0.137 5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.161 1.033 7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.673 1.184 6.077 1.00 0.00 H new ATOM 500 N VAL A 37 0.264 -0.960 5.995 1.00 0.00 N ATOM 501 CA VAL A 37 1.235 -1.640 5.141 1.00 0.00 C ATOM 502 C VAL A 37 1.519 -3.053 5.655 1.00 0.00 C ATOM 503 O VAL A 37 1.609 -4.006 4.875 1.00 0.00 O ATOM 504 CB VAL A 37 2.561 -0.843 5.040 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.606 -1.608 4.237 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.315 0.525 4.415 1.00 0.00 C ATOM 0 H VAL A 37 0.593 -0.077 6.387 1.00 0.00 H new ATOM 0 HA VAL A 37 0.797 -1.705 4.145 1.00 0.00 H new ATOM 0 HB VAL A 37 2.945 -0.706 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.524 -1.023 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.811 -2.562 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.231 -1.787 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.256 1.071 4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.901 0.399 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.611 1.085 5.031 1.00 0.00 H new ATOM 516 N ASN A 38 1.632 -3.188 6.969 1.00 0.00 N ATOM 517 CA ASN A 38 1.875 -4.489 7.578 1.00 0.00 C ATOM 518 C ASN A 38 0.665 -5.403 7.425 1.00 0.00 C ATOM 519 O ASN A 38 0.811 -6.601 7.172 1.00 0.00 O ATOM 520 CB ASN A 38 2.246 -4.342 9.055 1.00 0.00 C ATOM 521 CG ASN A 38 3.692 -3.925 9.242 1.00 0.00 C ATOM 522 OD1 ASN A 38 4.555 -4.258 8.430 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.973 -3.204 10.315 1.00 0.00 N ATOM 0 H ASN A 38 1.560 -2.416 7.632 1.00 0.00 H new ATOM 0 HA ASN A 38 2.716 -4.945 7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.593 -3.603 9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.073 -5.288 9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.932 -2.905 10.492 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.231 -2.947 10.966 1.00 0.00 H new ATOM 530 N PHE A 39 -0.527 -4.838 7.556 1.00 0.00 N ATOM 531 CA PHE A 39 -1.755 -5.603 7.374 1.00 0.00 C ATOM 532 C PHE A 39 -1.893 -6.040 5.918 1.00 0.00 C ATOM 533 O PHE A 39 -2.303 -7.166 5.627 1.00 0.00 O ATOM 534 CB PHE A 39 -2.974 -4.776 7.796 1.00 0.00 C ATOM 535 CG PHE A 39 -4.269 -5.541 7.740 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.701 -6.275 8.834 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.050 -5.532 6.594 1.00 0.00 C ATOM 538 CE1 PHE A 39 -5.887 -6.984 8.789 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.237 -6.241 6.544 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.655 -6.967 7.640 1.00 0.00 C ATOM 0 H PHE A 39 -0.671 -3.855 7.787 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.705 -6.490 8.005 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.821 -4.411 8.811 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.050 -3.901 7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.103 -6.293 9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.728 -4.966 5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.213 -7.550 9.649 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.837 -6.226 5.646 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.581 -7.521 7.600 1.00 0.00 H new ATOM 550 N LEU A 40 -1.537 -5.138 5.010 1.00 0.00 N ATOM 551 CA LEU A 40 -1.575 -5.417 3.580 1.00 0.00 C ATOM 552 C LEU A 40 -0.651 -6.571 3.225 1.00 0.00 C ATOM 553 O LEU A 40 -0.977 -7.401 2.372 1.00 0.00 O ATOM 554 CB LEU A 40 -1.178 -4.172 2.787 1.00 0.00 C ATOM 555 CG LEU A 40 -2.161 -3.008 2.886 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.629 -1.791 2.152 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.510 -3.419 2.328 1.00 0.00 C ATOM 0 H LEU A 40 -1.216 -4.198 5.243 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.595 -5.699 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.201 -3.834 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.067 -4.447 1.738 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.281 -2.743 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.345 -0.974 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.679 -1.487 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.480 -2.037 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.205 -2.583 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.399 -3.706 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.897 -4.264 2.897 1.00 0.00 H new ATOM 569 N LYS A 41 0.502 -6.624 3.878 1.00 0.00 N ATOM 570 CA LYS A 41 1.451 -7.700 3.649 1.00 0.00 C ATOM 571 C LYS A 41 0.912 -9.006 4.225 1.00 0.00 C ATOM 572 O LYS A 41 1.088 -10.070 3.635 1.00 0.00 O ATOM 573 CB LYS A 41 2.807 -7.370 4.273 1.00 0.00 C ATOM 574 CG LYS A 41 3.938 -8.235 3.739 1.00 0.00 C ATOM 575 CD LYS A 41 5.231 -8.016 4.506 1.00 0.00 C ATOM 576 CE LYS A 41 5.163 -8.614 5.900 1.00 0.00 C ATOM 577 NZ LYS A 41 6.436 -8.434 6.639 1.00 0.00 N ATOM 0 H LYS A 41 0.800 -5.935 4.569 1.00 0.00 H new ATOM 0 HA LYS A 41 1.587 -7.815 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.040 -6.322 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.742 -7.494 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.652 -9.285 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.099 -8.011 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.060 -8.463 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.436 -6.948 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.350 -8.147 6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.931 -9.677 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.447 -9.061 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.235 -8.669 6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.519 -7.445 6.951 1.00 0.00 H new ATOM 591 N ARG A 42 0.241 -8.909 5.377 1.00 0.00 N ATOM 592 CA ARG A 42 -0.394 -10.068 6.003 1.00 0.00 C ATOM 593 C ARG A 42 -1.384 -10.722 5.054 1.00 0.00 C ATOM 594 O ARG A 42 -1.328 -11.929 4.813 1.00 0.00 O ATOM 595 CB ARG A 42 -1.142 -9.672 7.278 1.00 0.00 C ATOM 596 CG ARG A 42 -0.260 -9.409 8.487 1.00 0.00 C ATOM 597 CD ARG A 42 -1.117 -9.174 9.722 1.00 0.00 C ATOM 598 NE ARG A 42 -0.327 -9.047 10.946 1.00 0.00 N ATOM 599 CZ ARG A 42 -0.779 -9.372 12.160 1.00 0.00 C ATOM 600 NH1 ARG A 42 -2.006 -9.863 12.312 1.00 0.00 N ATOM 601 NH2 ARG A 42 -0.003 -9.212 13.224 1.00 0.00 N ATOM 0 H ARG A 42 0.125 -8.037 5.894 1.00 0.00 H new ATOM 0 HA ARG A 42 0.403 -10.769 6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.728 -8.776 7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.848 -10.464 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.405 -10.257 8.653 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.372 -8.540 8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.708 -8.269 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.820 -10.000 9.833 1.00 0.00 H new ATOM 0 HE ARG A 42 0.625 -8.689 10.868 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.608 -9.993 11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.345 -10.109 13.242 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.941 -8.840 13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.350 -9.461 14.150 1.00 0.00 H new ATOM 615 N GLU A 43 -2.301 -9.918 4.530 1.00 0.00 N ATOM 616 CA GLU A 43 -3.351 -10.428 3.664 1.00 0.00 C ATOM 617 C GLU A 43 -2.768 -10.841 2.317 1.00 0.00 C ATOM 618 O GLU A 43 -3.212 -11.812 1.704 1.00 0.00 O ATOM 619 CB GLU A 43 -4.439 -9.369 3.474 1.00 0.00 C ATOM 620 CG GLU A 43 -5.786 -9.943 3.069 1.00 0.00 C ATOM 621 CD GLU A 43 -6.312 -10.936 4.085 1.00 0.00 C ATOM 622 OE1 GLU A 43 -6.591 -10.525 5.229 1.00 0.00 O ATOM 623 OE2 GLU A 43 -6.424 -12.133 3.753 1.00 0.00 O ATOM 0 H GLU A 43 -2.337 -8.911 4.691 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.798 -11.305 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.556 -8.811 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.113 -8.659 2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.504 -9.132 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.694 -10.432 2.099 1.00 0.00 H new ATOM 630 N GLY A 44 -1.757 -10.104 1.874 1.00 0.00 N ATOM 631 CA GLY A 44 -1.081 -10.438 0.640 1.00 0.00 C ATOM 632 C GLY A 44 -1.506 -9.554 -0.513 1.00 0.00 C ATOM 633 O GLY A 44 -1.802 -10.047 -1.601 1.00 0.00 O ATOM 0 H GLY A 44 -1.394 -9.279 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.004 -10.349 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.284 -11.479 0.389 1.00 0.00 H new ATOM 637 N TYR A 45 -1.558 -8.251 -0.274 1.00 0.00 N ATOM 638 CA TYR A 45 -1.871 -7.300 -1.334 1.00 0.00 C ATOM 639 C TYR A 45 -0.591 -6.757 -1.958 1.00 0.00 C ATOM 640 O TYR A 45 -0.527 -6.518 -3.164 1.00 0.00 O ATOM 641 CB TYR A 45 -2.720 -6.146 -0.801 1.00 0.00 C ATOM 642 CG TYR A 45 -4.120 -6.541 -0.390 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.052 -6.948 -1.336 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.517 -6.490 0.940 1.00 0.00 C ATOM 645 CE1 TYR A 45 -6.338 -7.293 -0.970 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.801 -6.834 1.314 1.00 0.00 C ATOM 647 CZ TYR A 45 -6.707 -7.234 0.356 1.00 0.00 C ATOM 648 OH TYR A 45 -7.991 -7.575 0.725 1.00 0.00 O ATOM 0 H TYR A 45 -1.389 -7.829 0.639 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.443 -7.826 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.213 -5.704 0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.783 -5.373 -1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.766 -6.995 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.810 -6.176 1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.050 -7.607 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.094 -6.790 2.353 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.632 -7.099 0.157 1.00 0.00 H new ATOM 658 N ILE A 46 0.430 -6.569 -1.132 1.00 0.00 N ATOM 659 CA ILE A 46 1.714 -6.066 -1.601 1.00 0.00 C ATOM 660 C ILE A 46 2.864 -6.822 -0.949 1.00 0.00 C ATOM 661 O ILE A 46 2.710 -7.386 0.135 1.00 0.00 O ATOM 662 CB ILE A 46 1.874 -4.543 -1.352 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.304 -4.124 0.012 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.215 -3.746 -2.465 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.201 -4.450 1.186 1.00 0.00 C ATOM 0 H ILE A 46 0.393 -6.758 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 46 1.741 -6.231 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 46 2.942 -4.326 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.116 -3.050 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.342 -4.615 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.338 -2.680 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.680 -3.998 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.153 -3.987 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.725 -4.122 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.370 -5.526 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.156 -3.937 1.068 1.00 0.00 H new ATOM 677 N ILE A 47 4.002 -6.843 -1.624 1.00 0.00 N ATOM 678 CA ILE A 47 5.202 -7.486 -1.103 1.00 0.00 C ATOM 679 C ILE A 47 6.400 -6.567 -1.291 1.00 0.00 C ATOM 680 O ILE A 47 6.341 -5.614 -2.067 1.00 0.00 O ATOM 681 CB ILE A 47 5.505 -8.861 -1.767 1.00 0.00 C ATOM 682 CG1 ILE A 47 5.762 -8.724 -3.282 1.00 0.00 C ATOM 683 CG2 ILE A 47 4.382 -9.855 -1.498 1.00 0.00 C ATOM 684 CD1 ILE A 47 4.525 -8.467 -4.121 1.00 0.00 C ATOM 0 H ILE A 47 4.122 -6.418 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 47 5.017 -7.675 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 47 6.420 -9.243 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.468 -7.909 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.241 -9.636 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.618 -10.808 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.276 -10.002 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.448 -9.468 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.808 -8.386 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.823 -9.292 -3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.054 -7.538 -3.799 1.00 0.00 H new ATOM 696 N GLY A 48 7.477 -6.848 -0.581 1.00 0.00 N ATOM 697 CA GLY A 48 8.663 -6.023 -0.685 1.00 0.00 C ATOM 698 C GLY A 48 8.669 -4.916 0.346 1.00 0.00 C ATOM 699 O GLY A 48 9.257 -3.853 0.134 1.00 0.00 O ATOM 0 H GLY A 48 7.554 -7.632 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.550 -6.644 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.718 -5.590 -1.684 1.00 0.00 H new ATOM 703 N VAL A 49 8.013 -5.170 1.468 1.00 0.00 N ATOM 704 CA VAL A 49 7.928 -4.200 2.547 1.00 0.00 C ATOM 705 C VAL A 49 9.276 -4.060 3.246 1.00 0.00 C ATOM 706 O VAL A 49 9.793 -5.021 3.818 1.00 0.00 O ATOM 707 CB VAL A 49 6.847 -4.607 3.568 1.00 0.00 C ATOM 708 CG1 VAL A 49 6.801 -3.630 4.732 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.489 -4.693 2.889 1.00 0.00 C ATOM 0 H VAL A 49 7.528 -6.048 1.655 1.00 0.00 H new ATOM 0 HA VAL A 49 7.652 -3.239 2.114 1.00 0.00 H new ATOM 0 HB VAL A 49 7.104 -5.589 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.030 -3.940 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.768 -3.617 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.572 -2.631 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.734 -4.981 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.232 -3.722 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.526 -5.437 2.094 1.00 0.00 H new ATOM 719 N HIS A 50 9.845 -2.862 3.182 1.00 0.00 N ATOM 720 CA HIS A 50 11.165 -2.618 3.747 1.00 0.00 C ATOM 721 C HIS A 50 11.057 -2.025 5.143 1.00 0.00 C ATOM 722 O HIS A 50 10.461 -0.960 5.337 1.00 0.00 O ATOM 723 CB HIS A 50 11.976 -1.672 2.856 1.00 0.00 C ATOM 724 CG HIS A 50 13.459 -1.787 3.064 1.00 0.00 C ATOM 725 ND1 HIS A 50 14.305 -2.377 2.148 1.00 0.00 N ATOM 726 CD2 HIS A 50 14.247 -1.386 4.092 1.00 0.00 C ATOM 727 CE1 HIS A 50 15.542 -2.336 2.605 1.00 0.00 C ATOM 728 NE2 HIS A 50 15.534 -1.738 3.780 1.00 0.00 N ATOM 0 H HIS A 50 9.414 -2.047 2.746 1.00 0.00 H new ATOM 0 HA HIS A 50 11.677 -3.578 3.806 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.745 -1.881 1.811 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.667 -0.645 3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 50 13.921 -0.883 4.990 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.414 -2.726 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 50 16.353 -1.565 4.363 1.00 0.00 H new ATOM 737 N TYR A 51 11.649 -2.715 6.100 1.00 0.00 N ATOM 738 CA TYR A 51 11.723 -2.241 7.468 1.00 0.00 C ATOM 739 C TYR A 51 13.093 -1.626 7.700 1.00 0.00 C ATOM 740 O TYR A 51 14.109 -2.292 7.516 1.00 0.00 O ATOM 741 CB TYR A 51 11.494 -3.395 8.452 1.00 0.00 C ATOM 742 CG TYR A 51 10.165 -4.092 8.274 1.00 0.00 C ATOM 743 CD1 TYR A 51 9.997 -5.087 7.319 1.00 0.00 C ATOM 744 CD2 TYR A 51 9.074 -3.749 9.061 1.00 0.00 C ATOM 745 CE1 TYR A 51 8.783 -5.719 7.153 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.854 -4.377 8.900 1.00 0.00 C ATOM 747 CZ TYR A 51 7.715 -5.360 7.945 1.00 0.00 C ATOM 748 OH TYR A 51 6.500 -5.981 7.774 1.00 0.00 O ATOM 0 H TYR A 51 12.093 -3.621 5.950 1.00 0.00 H new ATOM 0 HA TYR A 51 10.947 -1.494 7.633 1.00 0.00 H new ATOM 0 HB2 TYR A 51 12.295 -4.125 8.335 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.559 -3.011 9.470 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.832 -5.370 6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.181 -2.979 9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.670 -6.491 6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.014 -4.099 9.519 1.00 0.00 H new ATOM 0 HH TYR A 51 5.780 -5.322 7.865 1.00 0.00 H new ATOM 758 N SER A 52 13.129 -0.359 8.084 1.00 0.00 N ATOM 759 CA SER A 52 14.396 0.331 8.263 1.00 0.00 C ATOM 760 C SER A 52 15.132 -0.230 9.468 1.00 0.00 C ATOM 761 O SER A 52 16.193 -0.847 9.338 1.00 0.00 O ATOM 762 CB SER A 52 14.153 1.827 8.422 1.00 0.00 C ATOM 763 OG SER A 52 13.327 2.307 7.377 1.00 0.00 O ATOM 0 H SER A 52 12.303 0.208 8.276 1.00 0.00 H new ATOM 0 HA SER A 52 15.018 0.174 7.382 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.683 2.025 9.385 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.104 2.359 8.416 1.00 0.00 H new ATOM 0 HG SER A 52 13.880 2.749 6.699 1.00 0.00 H new ATOM 769 N ASP A 53 14.554 -0.024 10.631 1.00 0.00 N ATOM 770 CA ASP A 53 15.076 -0.598 11.860 1.00 0.00 C ATOM 771 C ASP A 53 14.001 -1.427 12.544 1.00 0.00 C ATOM 772 O ASP A 53 14.299 -2.305 13.354 1.00 0.00 O ATOM 773 CB ASP A 53 15.553 0.502 12.808 1.00 0.00 C ATOM 774 CG ASP A 53 16.662 1.342 12.215 1.00 0.00 C ATOM 775 OD1 ASP A 53 16.357 2.334 11.518 1.00 0.00 O ATOM 776 OD2 ASP A 53 17.847 1.024 12.447 1.00 0.00 O ATOM 0 H ASP A 53 13.714 0.542 10.755 1.00 0.00 H new ATOM 0 HA ASP A 53 15.922 -1.237 11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.712 1.146 13.063 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.902 0.050 13.737 1.00 0.00 H new ATOM 781 N ASP A 54 12.749 -1.156 12.197 1.00 0.00 N ATOM 782 CA ASP A 54 11.610 -1.799 12.845 1.00 0.00 C ATOM 783 C ASP A 54 10.315 -1.518 12.086 1.00 0.00 C ATOM 784 O ASP A 54 9.438 -2.375 12.002 1.00 0.00 O ATOM 785 CB ASP A 54 11.475 -1.310 14.294 1.00 0.00 C ATOM 786 CG ASP A 54 11.152 0.174 14.393 1.00 0.00 C ATOM 787 OD1 ASP A 54 12.057 1.006 14.159 1.00 0.00 O ATOM 788 OD2 ASP A 54 9.992 0.514 14.700 1.00 0.00 O ATOM 0 H ASP A 54 12.495 -0.491 11.466 1.00 0.00 H new ATOM 0 HA ASP A 54 11.787 -2.874 12.842 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.692 -1.881 14.793 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.404 -1.510 14.827 1.00 0.00 H new ATOM 793 N ARG A 55 10.207 -0.322 11.517 1.00 0.00 N ATOM 794 CA ARG A 55 8.977 0.103 10.866 1.00 0.00 C ATOM 795 C ARG A 55 9.108 0.017 9.349 1.00 0.00 C ATOM 796 O ARG A 55 10.176 0.298 8.797 1.00 0.00 O ATOM 797 CB ARG A 55 8.636 1.548 11.265 1.00 0.00 C ATOM 798 CG ARG A 55 7.360 2.065 10.619 1.00 0.00 C ATOM 799 CD ARG A 55 7.340 3.579 10.506 1.00 0.00 C ATOM 800 NE ARG A 55 7.110 4.247 11.783 1.00 0.00 N ATOM 801 CZ ARG A 55 7.064 5.574 11.922 1.00 0.00 C ATOM 802 NH1 ARG A 55 7.264 6.364 10.870 1.00 0.00 N ATOM 803 NH2 ARG A 55 6.805 6.108 13.106 1.00 0.00 N ATOM 0 H ARG A 55 10.957 0.369 11.494 1.00 0.00 H new ATOM 0 HA ARG A 55 8.178 -0.563 11.190 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.535 1.604 12.349 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.465 2.199 10.988 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.256 1.628 9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.501 1.736 11.204 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.289 3.919 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.561 3.874 9.803 1.00 0.00 H new ATOM 0 HE ARG A 55 6.977 3.669 12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.453 5.956 9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.228 7.378 10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.641 5.505 13.912 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.770 7.122 13.212 1.00 0.00 H new ATOM 817 N PRO A 56 8.031 -0.391 8.657 1.00 0.00 N ATOM 818 CA PRO A 56 7.961 -0.316 7.201 1.00 0.00 C ATOM 819 C PRO A 56 7.973 1.133 6.733 1.00 0.00 C ATOM 820 O PRO A 56 7.087 1.915 7.072 1.00 0.00 O ATOM 821 CB PRO A 56 6.629 -0.986 6.852 1.00 0.00 C ATOM 822 CG PRO A 56 5.824 -0.938 8.102 1.00 0.00 C ATOM 823 CD PRO A 56 6.808 -0.970 9.240 1.00 0.00 C ATOM 0 HA PRO A 56 8.811 -0.799 6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.126 -0.461 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.781 -2.014 6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.217 -0.034 8.139 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.139 -1.784 8.156 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.455 -0.388 10.091 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.976 -1.986 9.596 1.00 0.00 H new ATOM 831 N HIS A 57 9.000 1.496 5.984 1.00 0.00 N ATOM 832 CA HIS A 57 9.164 2.875 5.542 1.00 0.00 C ATOM 833 C HIS A 57 8.832 3.053 4.067 1.00 0.00 C ATOM 834 O HIS A 57 8.277 4.080 3.684 1.00 0.00 O ATOM 835 CB HIS A 57 10.589 3.354 5.819 1.00 0.00 C ATOM 836 CG HIS A 57 10.749 4.001 7.162 1.00 0.00 C ATOM 837 ND1 HIS A 57 11.029 5.342 7.328 1.00 0.00 N ATOM 838 CD2 HIS A 57 10.668 3.482 8.411 1.00 0.00 C ATOM 839 CE1 HIS A 57 11.116 5.617 8.616 1.00 0.00 C ATOM 840 NE2 HIS A 57 10.900 4.505 9.294 1.00 0.00 N ATOM 0 H HIS A 57 9.732 0.859 5.669 1.00 0.00 H new ATOM 0 HA HIS A 57 8.458 3.480 6.110 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.270 2.505 5.749 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.883 4.063 5.045 1.00 0.00 H new ATOM 0 HD2 HIS A 57 10.459 2.453 8.664 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.328 6.586 9.042 1.00 0.00 H new ATOM 0 HE2 HIS A 57 10.905 4.421 10.310 1.00 0.00 H new ATOM 849 N LEU A 58 9.166 2.042 3.260 1.00 0.00 N ATOM 850 CA LEU A 58 8.987 2.097 1.803 1.00 0.00 C ATOM 851 C LEU A 58 9.962 3.090 1.175 1.00 0.00 C ATOM 852 O LEU A 58 10.071 4.233 1.608 1.00 0.00 O ATOM 853 CB LEU A 58 7.537 2.444 1.428 1.00 0.00 C ATOM 854 CG LEU A 58 6.480 1.457 1.936 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.089 1.919 1.537 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.754 0.056 1.403 1.00 0.00 C ATOM 0 H LEU A 58 9.566 1.165 3.594 1.00 0.00 H new ATOM 0 HA LEU A 58 9.203 1.105 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.304 3.435 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.463 2.504 0.342 1.00 0.00 H new ATOM 0 HG LEU A 58 6.533 1.424 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.350 1.208 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.894 2.901 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.024 1.981 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.993 -0.630 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.729 0.070 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.737 -0.275 1.739 1.00 0.00 H new ATOM 868 N TYR A 59 10.693 2.638 0.167 1.00 0.00 N ATOM 869 CA TYR A 59 11.661 3.487 -0.506 1.00 0.00 C ATOM 870 C TYR A 59 11.342 3.580 -1.992 1.00 0.00 C ATOM 871 O TYR A 59 10.343 3.031 -2.445 1.00 0.00 O ATOM 872 CB TYR A 59 13.086 2.969 -0.283 1.00 0.00 C ATOM 873 CG TYR A 59 13.515 3.002 1.171 1.00 0.00 C ATOM 874 CD1 TYR A 59 13.397 4.166 1.922 1.00 0.00 C ATOM 875 CD2 TYR A 59 14.025 1.870 1.797 1.00 0.00 C ATOM 876 CE1 TYR A 59 13.775 4.202 3.251 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.402 1.899 3.126 1.00 0.00 C ATOM 878 CZ TYR A 59 14.278 3.068 3.848 1.00 0.00 C ATOM 879 OH TYR A 59 14.643 3.097 5.177 1.00 0.00 O ATOM 0 H TYR A 59 10.633 1.689 -0.202 1.00 0.00 H new ATOM 0 HA TYR A 59 11.598 4.488 -0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.155 1.946 -0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.780 3.568 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.003 5.058 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 59 14.128 0.953 1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.676 5.116 3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.792 1.010 3.598 1.00 0.00 H new ATOM 0 HH TYR A 59 14.712 4.027 5.477 1.00 0.00 H new ATOM 889 N LYS A 60 12.205 4.254 -2.742 1.00 0.00 N ATOM 890 CA LYS A 60 11.951 4.545 -4.155 1.00 0.00 C ATOM 891 C LYS A 60 12.017 3.298 -5.036 1.00 0.00 C ATOM 892 O LYS A 60 11.735 3.361 -6.231 1.00 0.00 O ATOM 893 CB LYS A 60 12.933 5.607 -4.657 1.00 0.00 C ATOM 894 CG LYS A 60 12.569 7.013 -4.212 1.00 0.00 C ATOM 895 CD LYS A 60 13.676 8.015 -4.491 1.00 0.00 C ATOM 896 CE LYS A 60 14.818 7.870 -3.500 1.00 0.00 C ATOM 897 NZ LYS A 60 15.803 8.974 -3.629 1.00 0.00 N ATOM 0 H LYS A 60 13.095 4.613 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 60 10.932 4.926 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.934 5.366 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.968 5.575 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.660 7.329 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.349 7.007 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.051 7.872 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.274 9.027 -4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.419 7.855 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.319 6.915 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.567 8.840 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.202 8.973 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.330 9.883 -3.452 1.00 0.00 H new ATOM 911 N LEU A 61 12.390 2.168 -4.447 1.00 0.00 N ATOM 912 CA LEU A 61 12.433 0.902 -5.168 1.00 0.00 C ATOM 913 C LEU A 61 12.411 -0.257 -4.185 1.00 0.00 C ATOM 914 O LEU A 61 13.305 -0.384 -3.347 1.00 0.00 O ATOM 915 CB LEU A 61 13.684 0.819 -6.051 1.00 0.00 C ATOM 916 CG LEU A 61 13.820 -0.464 -6.880 1.00 0.00 C ATOM 917 CD1 LEU A 61 12.639 -0.616 -7.828 1.00 0.00 C ATOM 918 CD2 LEU A 61 15.130 -0.457 -7.657 1.00 0.00 C ATOM 0 H LEU A 61 12.668 2.103 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 61 11.555 0.843 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.686 1.672 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.564 0.915 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 61 13.825 -1.316 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.753 -1.532 -8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.714 -0.664 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.602 0.239 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.212 -1.374 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.151 0.402 -8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.966 -0.394 -6.960 1.00 0.00 H new ATOM 930 N GLY A 62 11.388 -1.094 -4.280 1.00 0.00 N ATOM 931 CA GLY A 62 11.279 -2.220 -3.378 1.00 0.00 C ATOM 932 C GLY A 62 9.915 -2.885 -3.413 1.00 0.00 C ATOM 933 O GLY A 62 9.794 -4.024 -3.864 1.00 0.00 O ATOM 0 H GLY A 62 10.635 -1.013 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.041 -2.956 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.486 -1.885 -2.362 1.00 0.00 H new ATOM 937 N PRO A 63 8.863 -2.199 -2.937 1.00 0.00 N ATOM 938 CA PRO A 63 7.521 -2.785 -2.842 1.00 0.00 C ATOM 939 C PRO A 63 6.847 -2.985 -4.199 1.00 0.00 C ATOM 940 O PRO A 63 6.915 -2.126 -5.078 1.00 0.00 O ATOM 941 CB PRO A 63 6.748 -1.762 -2.010 1.00 0.00 C ATOM 942 CG PRO A 63 7.443 -0.468 -2.258 1.00 0.00 C ATOM 943 CD PRO A 63 8.895 -0.808 -2.446 1.00 0.00 C ATOM 0 HA PRO A 63 7.555 -3.784 -2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.702 -1.714 -2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.761 -2.022 -0.951 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.041 0.028 -3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.307 0.215 -1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.374 -0.141 -3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.451 -0.725 -1.512 1.00 0.00 H new ATOM 951 N GLU A 64 6.198 -4.133 -4.353 1.00 0.00 N ATOM 952 CA GLU A 64 5.416 -4.433 -5.547 1.00 0.00 C ATOM 953 C GLU A 64 4.034 -4.929 -5.141 1.00 0.00 C ATOM 954 O GLU A 64 3.812 -5.270 -3.978 1.00 0.00 O ATOM 955 CB GLU A 64 6.107 -5.495 -6.414 1.00 0.00 C ATOM 956 CG GLU A 64 7.462 -5.078 -6.955 1.00 0.00 C ATOM 957 CD GLU A 64 7.991 -6.050 -7.990 1.00 0.00 C ATOM 958 OE1 GLU A 64 8.495 -7.127 -7.605 1.00 0.00 O ATOM 959 OE2 GLU A 64 7.893 -5.745 -9.198 1.00 0.00 O ATOM 0 H GLU A 64 6.198 -4.879 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 64 5.327 -3.519 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.229 -6.404 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.455 -5.743 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.384 -4.085 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.173 -5.005 -6.132 1.00 0.00 H new ATOM 966 N LEU A 65 3.112 -4.975 -6.089 1.00 0.00 N ATOM 967 CA LEU A 65 1.762 -5.448 -5.810 1.00 0.00 C ATOM 968 C LEU A 65 1.616 -6.910 -6.213 1.00 0.00 C ATOM 969 O LEU A 65 2.214 -7.360 -7.194 1.00 0.00 O ATOM 970 CB LEU A 65 0.711 -4.596 -6.540 1.00 0.00 C ATOM 971 CG LEU A 65 0.467 -3.192 -5.963 1.00 0.00 C ATOM 972 CD1 LEU A 65 1.641 -2.261 -6.237 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.821 -2.605 -6.523 1.00 0.00 C ATOM 0 H LEU A 65 3.271 -4.692 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 65 1.593 -5.355 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.015 -4.492 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.234 -5.138 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 65 0.369 -3.290 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.432 -1.278 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.543 -2.668 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.789 -2.169 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.980 -1.611 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.747 -2.535 -7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.660 -3.248 -6.257 1.00 0.00 H new ATOM 985 N THR A 66 0.827 -7.656 -5.455 1.00 0.00 N ATOM 986 CA THR A 66 0.590 -9.052 -5.770 1.00 0.00 C ATOM 987 C THR A 66 -0.452 -9.170 -6.869 1.00 0.00 C ATOM 988 O THR A 66 -1.100 -8.184 -7.228 1.00 0.00 O ATOM 989 CB THR A 66 0.106 -9.844 -4.540 1.00 0.00 C ATOM 990 OG1 THR A 66 -1.134 -9.302 -4.066 1.00 0.00 O ATOM 991 CG2 THR A 66 1.142 -9.811 -3.426 1.00 0.00 C ATOM 0 H THR A 66 0.344 -7.319 -4.623 1.00 0.00 H new ATOM 0 HA THR A 66 1.539 -9.473 -6.101 1.00 0.00 H new ATOM 0 HB THR A 66 -0.042 -10.881 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.236 -9.505 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.774 -10.378 -2.570 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.073 -10.253 -3.781 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.322 -8.778 -3.127 1.00 0.00 H new ATOM 999 N GLU A 67 -0.611 -10.372 -7.405 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.648 -10.633 -8.389 1.00 0.00 C ATOM 1001 C GLU A 67 -3.019 -10.298 -7.805 1.00 0.00 C ATOM 1002 O GLU A 67 -3.884 -9.753 -8.492 1.00 0.00 O ATOM 1003 CB GLU A 67 -1.604 -12.096 -8.818 1.00 0.00 C ATOM 1004 CG GLU A 67 -2.569 -12.442 -9.938 1.00 0.00 C ATOM 1005 CD GLU A 67 -2.630 -13.930 -10.192 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -1.687 -14.471 -10.806 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -3.611 -14.570 -9.756 1.00 0.00 O ATOM 0 H GLU A 67 -0.034 -11.181 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.474 -10.004 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.591 -12.340 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.826 -12.724 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.564 -12.076 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.264 -11.930 -10.851 1.00 0.00 H new ATOM 1014 N LYS A 68 -3.201 -10.611 -6.525 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.451 -10.315 -5.846 1.00 0.00 C ATOM 1016 C LYS A 68 -4.604 -8.811 -5.670 1.00 0.00 C ATOM 1017 O LYS A 68 -5.662 -8.261 -5.941 1.00 0.00 O ATOM 1018 CB LYS A 68 -4.517 -11.009 -4.482 1.00 0.00 C ATOM 1019 CG LYS A 68 -5.898 -11.565 -4.147 1.00 0.00 C ATOM 1020 CD LYS A 68 -6.965 -10.477 -4.093 1.00 0.00 C ATOM 1021 CE LYS A 68 -8.357 -11.078 -4.004 1.00 0.00 C ATOM 1022 NZ LYS A 68 -9.421 -10.041 -3.929 1.00 0.00 N ATOM 0 H LYS A 68 -2.499 -11.068 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.268 -10.693 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.792 -11.823 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.222 -10.300 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.178 -12.308 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.857 -12.078 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.788 -9.833 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.893 -9.849 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.532 -11.711 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.417 -11.720 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.298 -10.469 -3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.119 -9.280 -3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.591 -9.649 -4.877 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.537 -8.151 -5.229 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.579 -6.712 -5.027 1.00 0.00 C ATOM 1038 C GLY A 69 -3.901 -5.961 -6.302 1.00 0.00 C ATOM 1039 O GLY A 69 -4.729 -5.050 -6.304 1.00 0.00 O ATOM 0 H GLY A 69 -2.642 -8.587 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.327 -6.475 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.617 -6.373 -4.642 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.262 -6.364 -7.391 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.478 -5.744 -8.689 1.00 0.00 C ATOM 1045 C GLU A 70 -4.935 -5.872 -9.127 1.00 0.00 C ATOM 1046 O GLU A 70 -5.517 -4.929 -9.669 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.559 -6.389 -9.718 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.736 -5.854 -11.121 1.00 0.00 C ATOM 1049 CD GLU A 70 -1.687 -6.388 -12.058 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -1.851 -7.519 -12.544 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -0.691 -5.677 -12.307 1.00 0.00 O ATOM 0 H GLU A 70 -2.583 -7.125 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.248 -4.682 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.524 -6.239 -9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.736 -7.464 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.725 -6.124 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.688 -4.765 -11.104 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.524 -7.034 -8.878 1.00 0.00 N ATOM 1059 CA ASN A 71 -6.915 -7.276 -9.246 1.00 0.00 C ATOM 1060 C ASN A 71 -7.867 -6.683 -8.212 1.00 0.00 C ATOM 1061 O ASN A 71 -9.015 -6.360 -8.523 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.180 -8.774 -9.421 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.655 -9.306 -10.743 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -7.365 -9.312 -11.747 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -5.411 -9.757 -10.755 1.00 0.00 N ATOM 0 H ASN A 71 -5.063 -7.823 -8.424 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.098 -6.781 -10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.713 -9.321 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.252 -8.960 -9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.011 -10.126 -11.618 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.853 -9.736 -9.902 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.381 -6.522 -6.988 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.163 -5.910 -5.921 1.00 0.00 C ATOM 1074 C TYR A 72 -8.439 -4.448 -6.247 1.00 0.00 C ATOM 1075 O TYR A 72 -9.450 -3.885 -5.824 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.426 -6.032 -4.583 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.172 -5.444 -3.404 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.218 -6.132 -2.804 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -7.819 -4.204 -2.884 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.892 -5.601 -1.719 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.487 -3.667 -1.803 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.523 -4.367 -1.222 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.187 -3.832 -0.142 1.00 0.00 O ATOM 0 H TYR A 72 -6.443 -6.809 -6.708 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.115 -6.434 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.230 -7.086 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.458 -5.538 -4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.510 -7.097 -3.191 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.008 -3.651 -3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.703 -6.149 -1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.199 -2.702 -1.413 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.563 -2.961 -0.388 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.532 -3.839 -7.004 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.719 -2.473 -7.474 1.00 0.00 C ATOM 1095 C LEU A 73 -9.005 -2.364 -8.291 1.00 0.00 C ATOM 1096 O LEU A 73 -9.698 -1.351 -8.248 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.520 -2.027 -8.316 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.163 -2.075 -7.608 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -4.053 -1.658 -8.557 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.168 -1.186 -6.375 1.00 0.00 C ATOM 0 H LEU A 73 -6.659 -4.272 -7.305 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.798 -1.818 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.469 -2.655 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.697 -1.007 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.980 -3.101 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.096 -1.698 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.031 -2.335 -9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.235 -0.641 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.194 -1.235 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.375 -0.157 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.938 -1.528 -5.683 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.325 -3.425 -9.022 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.548 -3.474 -9.815 1.00 0.00 C ATOM 1114 C LYS A 74 -11.766 -3.526 -8.896 1.00 0.00 C ATOM 1115 O LYS A 74 -12.743 -2.801 -9.091 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.532 -4.708 -10.721 1.00 0.00 C ATOM 1117 CG LYS A 74 -11.697 -4.776 -11.698 1.00 0.00 C ATOM 1118 CD LYS A 74 -11.820 -6.164 -12.313 1.00 0.00 C ATOM 1119 CE LYS A 74 -12.330 -7.175 -11.295 1.00 0.00 C ATOM 1120 NZ LYS A 74 -12.326 -8.560 -11.833 1.00 0.00 N ATOM 0 H LYS A 74 -8.752 -4.267 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.605 -2.577 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.599 -4.720 -11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.541 -5.603 -10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.623 -4.521 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.557 -4.037 -12.487 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.499 -6.128 -13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.849 -6.484 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.709 -7.132 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.343 -6.906 -10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.680 -9.215 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.939 -8.608 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.356 -8.827 -12.097 1.00 0.00 H new ATOM 1134 N GLU A 75 -11.680 -4.383 -7.882 1.00 0.00 N ATOM 1135 CA GLU A 75 -12.768 -4.588 -6.933 1.00 0.00 C ATOM 1136 C GLU A 75 -13.034 -3.323 -6.126 1.00 0.00 C ATOM 1137 O GLU A 75 -14.172 -2.871 -6.008 1.00 0.00 O ATOM 1138 CB GLU A 75 -12.413 -5.736 -5.983 1.00 0.00 C ATOM 1139 CG GLU A 75 -12.070 -7.035 -6.698 1.00 0.00 C ATOM 1140 CD GLU A 75 -11.520 -8.102 -5.769 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -12.307 -8.718 -5.024 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -10.293 -8.337 -5.786 1.00 0.00 O ATOM 0 H GLU A 75 -10.855 -4.954 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.670 -4.836 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.566 -5.437 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.252 -5.912 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.964 -7.417 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.338 -6.830 -7.479 1.00 0.00 H new ATOM 1149 N ASN A 76 -11.972 -2.746 -5.588 1.00 0.00 N ATOM 1150 CA ASN A 76 -12.082 -1.583 -4.716 1.00 0.00 C ATOM 1151 C ASN A 76 -11.973 -0.288 -5.525 1.00 0.00 C ATOM 1152 O ASN A 76 -11.945 0.803 -4.960 1.00 0.00 O ATOM 1153 CB ASN A 76 -11.001 -1.646 -3.631 1.00 0.00 C ATOM 1154 CG ASN A 76 -11.400 -0.977 -2.320 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -11.018 -1.435 -1.244 1.00 0.00 O ATOM 1156 ND2 ASN A 76 -12.136 0.117 -2.390 1.00 0.00 N ATOM 0 H ASN A 76 -11.015 -3.066 -5.740 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.060 -1.591 -4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.758 -2.690 -3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.094 -1.173 -4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.403 0.607 -1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.437 0.472 -3.298 1.00 0.00 H new ATOM 1163 N GLY A 77 -11.912 -0.425 -6.851 1.00 0.00 N ATOM 1164 CA GLY A 77 -11.801 0.725 -7.748 1.00 0.00 C ATOM 1165 C GLY A 77 -12.935 1.736 -7.638 1.00 0.00 C ATOM 1166 O GLY A 77 -12.933 2.743 -8.343 1.00 0.00 O ATOM 0 H GLY A 77 -11.938 -1.326 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.859 1.235 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.755 0.363 -8.775 1.00 0.00 H new ATOM 1170 N THR A 78 -13.912 1.453 -6.793 1.00 0.00 N ATOM 1171 CA THR A 78 -14.947 2.421 -6.467 1.00 0.00 C ATOM 1172 C THR A 78 -14.328 3.613 -5.706 1.00 0.00 C ATOM 1173 O THR A 78 -13.899 4.586 -6.329 1.00 0.00 O ATOM 1174 CB THR A 78 -16.100 1.741 -5.673 1.00 0.00 C ATOM 1175 OG1 THR A 78 -16.859 2.702 -4.933 1.00 0.00 O ATOM 1176 CG2 THR A 78 -15.575 0.652 -4.737 1.00 0.00 C ATOM 0 H THR A 78 -14.011 0.556 -6.318 1.00 0.00 H new ATOM 0 HA THR A 78 -15.386 2.811 -7.386 1.00 0.00 H new ATOM 0 HB THR A 78 -16.756 1.272 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.577 2.247 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.409 0.201 -4.200 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.062 -0.113 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.879 1.091 -4.022 1.00 0.00 H new ATOM 1184 N TRP A 79 -14.288 3.535 -4.373 1.00 0.00 N ATOM 1185 CA TRP A 79 -13.465 4.426 -3.543 1.00 0.00 C ATOM 1186 C TRP A 79 -13.931 5.897 -3.569 1.00 0.00 C ATOM 1187 O TRP A 79 -14.766 6.303 -4.379 1.00 0.00 O ATOM 1188 CB TRP A 79 -11.991 4.318 -3.982 1.00 0.00 C ATOM 1189 CG TRP A 79 -11.032 5.030 -3.078 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -10.322 6.162 -3.361 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -10.687 4.662 -1.739 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -9.567 6.526 -2.272 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -9.771 5.618 -1.266 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -11.068 3.618 -0.894 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -9.231 5.557 0.014 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -10.529 3.556 0.373 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -9.621 4.524 0.819 1.00 0.00 C ATOM 0 H TRP A 79 -14.824 2.853 -3.837 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.577 4.096 -2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -11.714 3.265 -4.032 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -11.892 4.722 -4.990 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.350 6.692 -4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -8.954 7.340 -2.221 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -11.773 2.871 -1.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.528 6.300 0.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.811 2.748 1.032 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.221 4.453 1.820 1.00 0.00 H new ATOM 1208 N SER A 80 -13.400 6.674 -2.628 1.00 0.00 N ATOM 1209 CA SER A 80 -13.592 8.116 -2.582 1.00 0.00 C ATOM 1210 C SER A 80 -12.330 8.768 -2.010 1.00 0.00 C ATOM 1211 O SER A 80 -11.912 8.440 -0.901 1.00 0.00 O ATOM 1212 CB SER A 80 -14.807 8.468 -1.720 1.00 0.00 C ATOM 1213 OG SER A 80 -15.988 7.867 -2.228 1.00 0.00 O ATOM 0 H SER A 80 -12.820 6.314 -1.870 1.00 0.00 H new ATOM 0 HA SER A 80 -13.773 8.489 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.638 8.135 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.932 9.550 -1.687 1.00 0.00 H new ATOM 0 HG SER A 80 -16.748 8.107 -1.658 1.00 0.00 H new ATOM 1219 N LYS A 81 -11.710 9.662 -2.774 1.00 0.00 N ATOM 1220 CA LYS A 81 -10.465 10.293 -2.341 1.00 0.00 C ATOM 1221 C LYS A 81 -10.720 11.283 -1.207 1.00 0.00 C ATOM 1222 O LYS A 81 -11.805 11.852 -1.098 1.00 0.00 O ATOM 1223 CB LYS A 81 -9.779 10.999 -3.511 1.00 0.00 C ATOM 1224 CG LYS A 81 -8.434 10.394 -3.890 1.00 0.00 C ATOM 1225 CD LYS A 81 -7.448 10.453 -2.732 1.00 0.00 C ATOM 1226 CE LYS A 81 -6.086 9.892 -3.112 1.00 0.00 C ATOM 1227 NZ LYS A 81 -5.355 10.773 -4.063 1.00 0.00 N ATOM 0 H LYS A 81 -12.045 9.965 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.805 9.508 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.438 10.969 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.636 12.049 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.574 9.358 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.023 10.928 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.335 11.486 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.848 9.892 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.487 9.758 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.214 8.906 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.374 10.441 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.823 10.746 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.356 11.749 -3.703 1.00 0.00 H new ATOM 1241 N ALA A 82 -9.709 11.493 -0.373 1.00 0.00 N ATOM 1242 CA ALA A 82 -9.846 12.358 0.788 1.00 0.00 C ATOM 1243 C ALA A 82 -9.475 13.800 0.456 1.00 0.00 C ATOM 1244 O ALA A 82 -8.511 14.058 -0.269 1.00 0.00 O ATOM 1245 CB ALA A 82 -8.991 11.841 1.936 1.00 0.00 C ATOM 0 H ALA A 82 -8.785 11.075 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.893 12.345 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.104 12.498 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.311 10.834 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.945 11.820 1.630 1.00 0.00 H new TER 1251 ALA A 82