USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=16 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 98 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -177:sc= -0.364 (180deg=-0.369) USER MOD Single : A 12 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.8) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 75:sc= -3.88 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= -0.307 (180deg=-0.999) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 41:sc= 0.0299 USER MOD Single : A 56 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.5!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.16) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 90:sc= -1.03 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= -0.0527 K(o=-0.053,f=-1.7!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -138:sc= 0.06 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -9.747 -13.401 -10.089 1.00 0.00 N ATOM 78 CA ILE A 6 -8.867 -12.248 -9.931 1.00 0.00 C ATOM 79 C ILE A 6 -9.663 -11.001 -9.565 1.00 0.00 C ATOM 80 O ILE A 6 -10.599 -10.622 -10.269 1.00 0.00 O ATOM 81 CB ILE A 6 -8.065 -11.969 -11.218 1.00 0.00 C ATOM 82 CG1 ILE A 6 -7.482 -13.268 -11.778 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.958 -10.961 -10.944 1.00 0.00 C ATOM 84 CD1 ILE A 6 -6.896 -13.119 -13.165 1.00 0.00 C ATOM 0 HA ILE A 6 -8.173 -12.488 -9.125 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.740 -11.547 -11.962 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.707 -13.630 -11.102 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.264 -14.027 -11.802 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.401 -10.774 -11.862 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.395 -10.028 -10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.284 -11.358 -10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.501 -14.079 -13.498 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.672 -12.787 -13.854 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.091 -12.384 -13.143 1.00 0.00 H new ATOM 96 N ILE A 7 -9.286 -10.366 -8.460 1.00 0.00 N ATOM 97 CA ILE A 7 -9.969 -9.161 -8.003 1.00 0.00 C ATOM 98 C ILE A 7 -8.990 -7.998 -7.848 1.00 0.00 C ATOM 99 O ILE A 7 -7.988 -8.111 -7.138 1.00 0.00 O ATOM 100 CB ILE A 7 -10.680 -9.396 -6.659 1.00 0.00 C ATOM 101 CG1 ILE A 7 -11.492 -10.693 -6.704 1.00 0.00 C ATOM 102 CG2 ILE A 7 -11.575 -8.215 -6.317 1.00 0.00 C ATOM 103 CD1 ILE A 7 -12.566 -10.697 -7.771 1.00 0.00 C ATOM 0 H ILE A 7 -8.513 -10.665 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.711 -8.911 -8.762 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.924 -9.490 -5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.816 -11.530 -6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.957 -10.855 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.070 -8.398 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.972 -7.310 -6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -12.326 -8.089 -7.097 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -13.101 -11.646 -7.745 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -13.265 -9.881 -7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.106 -10.566 -8.751 1.00 0.00 H new ATOM 115 N PRO A 8 -9.265 -6.861 -8.516 1.00 0.00 N ATOM 116 CA PRO A 8 -8.407 -5.681 -8.456 1.00 0.00 C ATOM 117 C PRO A 8 -8.739 -4.770 -7.278 1.00 0.00 C ATOM 118 O PRO A 8 -9.909 -4.518 -6.988 1.00 0.00 O ATOM 119 CB PRO A 8 -8.722 -4.982 -9.774 1.00 0.00 C ATOM 120 CG PRO A 8 -10.158 -5.295 -10.029 1.00 0.00 C ATOM 121 CD PRO A 8 -10.432 -6.636 -9.392 1.00 0.00 C ATOM 0 HA PRO A 8 -7.357 -5.938 -8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.557 -3.907 -9.703 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.087 -5.349 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.803 -4.526 -9.604 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.363 -5.326 -11.099 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.362 -6.625 -8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.526 -7.422 -10.141 1.00 0.00 H new ATOM 129 N ILE A 9 -7.705 -4.260 -6.614 1.00 0.00 N ATOM 130 CA ILE A 9 -7.883 -3.369 -5.493 1.00 0.00 C ATOM 131 C ILE A 9 -6.872 -2.234 -5.559 1.00 0.00 C ATOM 132 O ILE A 9 -5.878 -2.294 -6.287 1.00 0.00 O ATOM 133 CB ILE A 9 -7.736 -4.083 -4.134 1.00 0.00 C ATOM 134 CG1 ILE A 9 -8.112 -5.564 -4.247 1.00 0.00 C ATOM 135 CG2 ILE A 9 -8.594 -3.392 -3.083 1.00 0.00 C ATOM 136 CD1 ILE A 9 -9.590 -5.800 -4.481 1.00 0.00 C ATOM 0 H ILE A 9 -6.731 -4.457 -6.843 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.900 -2.984 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.691 -4.025 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.547 -6.012 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.811 -6.077 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.482 -3.905 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.275 -2.355 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.639 -3.421 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.781 -6.871 -4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.161 -5.383 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.893 -5.317 -5.410 1.00 0.00 H new ATOM 148 N ALA A 10 -7.135 -1.220 -4.774 1.00 0.00 N ATOM 149 CA ALA A 10 -6.285 -0.033 -4.682 1.00 0.00 C ATOM 150 C ALA A 10 -6.010 0.577 -6.057 1.00 0.00 C ATOM 151 O ALA A 10 -6.135 -0.090 -7.084 1.00 0.00 O ATOM 152 CB ALA A 10 -4.981 -0.369 -3.975 1.00 0.00 C ATOM 0 H ALA A 10 -7.954 -1.184 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.822 0.713 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.359 0.524 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.195 -0.731 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.453 -1.141 -4.534 1.00 0.00 H new ATOM 158 N GLU A 11 -5.634 1.854 -6.066 1.00 0.00 N ATOM 159 CA GLU A 11 -5.338 2.562 -7.309 1.00 0.00 C ATOM 160 C GLU A 11 -4.940 4.009 -7.029 1.00 0.00 C ATOM 161 O GLU A 11 -5.511 4.659 -6.153 1.00 0.00 O ATOM 162 CB GLU A 11 -6.549 2.533 -8.245 1.00 0.00 C ATOM 163 CG GLU A 11 -6.277 3.140 -9.611 1.00 0.00 C ATOM 164 CD GLU A 11 -5.892 2.100 -10.645 1.00 0.00 C ATOM 165 OE1 GLU A 11 -6.567 1.051 -10.711 1.00 0.00 O ATOM 166 OE2 GLU A 11 -4.916 2.334 -11.388 1.00 0.00 O ATOM 0 H GLU A 11 -5.527 2.420 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.502 2.055 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.873 1.500 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.373 3.070 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.165 3.673 -9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.477 3.875 -9.525 1.00 0.00 H new ATOM 173 N ASN A 12 -3.960 4.509 -7.778 1.00 0.00 N ATOM 174 CA ASN A 12 -3.490 5.881 -7.607 1.00 0.00 C ATOM 175 C ASN A 12 -2.560 6.288 -8.746 1.00 0.00 C ATOM 176 O ASN A 12 -1.995 5.438 -9.434 1.00 0.00 O ATOM 177 CB ASN A 12 -2.765 6.031 -6.268 1.00 0.00 C ATOM 178 CG ASN A 12 -3.702 6.415 -5.140 1.00 0.00 C ATOM 179 OD1 ASN A 12 -3.886 5.659 -4.186 1.00 0.00 O ATOM 180 ND2 ASN A 12 -4.301 7.596 -5.244 1.00 0.00 N ATOM 0 H ASN A 12 -3.477 3.985 -8.508 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.360 6.538 -7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.269 5.093 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.986 6.788 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.943 7.908 -4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.119 8.191 -6.053 1.00 0.00 H new ATOM 187 N LYS A 13 -2.404 7.596 -8.938 1.00 0.00 N ATOM 188 CA LYS A 13 -1.538 8.117 -9.994 1.00 0.00 C ATOM 189 C LYS A 13 -1.081 9.545 -9.687 1.00 0.00 C ATOM 190 O LYS A 13 -0.627 10.263 -10.578 1.00 0.00 O ATOM 191 CB LYS A 13 -2.266 8.084 -11.339 1.00 0.00 C ATOM 192 CG LYS A 13 -1.371 7.700 -12.506 1.00 0.00 C ATOM 193 CD LYS A 13 -2.186 7.266 -13.714 1.00 0.00 C ATOM 194 CE LYS A 13 -2.623 5.816 -13.598 1.00 0.00 C ATOM 195 NZ LYS A 13 -3.588 5.439 -14.668 1.00 0.00 N ATOM 0 H LYS A 13 -2.865 8.313 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.655 7.480 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.093 7.376 -11.278 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.700 9.065 -11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.741 8.547 -12.776 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.706 6.891 -12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.064 7.905 -13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.594 7.398 -14.620 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.748 5.168 -13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.080 5.652 -12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.861 4.442 -14.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.434 6.040 -14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.143 5.571 -15.599 1.00 0.00 H new ATOM 209 N GLU A 14 -1.205 9.953 -8.426 1.00 0.00 N ATOM 210 CA GLU A 14 -0.805 11.293 -8.010 1.00 0.00 C ATOM 211 C GLU A 14 0.712 11.451 -8.029 1.00 0.00 C ATOM 212 O GLU A 14 1.241 12.419 -8.578 1.00 0.00 O ATOM 213 CB GLU A 14 -1.341 11.594 -6.610 1.00 0.00 C ATOM 214 CG GLU A 14 -1.728 13.050 -6.404 1.00 0.00 C ATOM 215 CD GLU A 14 -3.152 13.341 -6.838 1.00 0.00 C ATOM 216 OE1 GLU A 14 -3.989 12.416 -6.786 1.00 0.00 O ATOM 217 OE2 GLU A 14 -3.429 14.494 -7.229 1.00 0.00 O ATOM 0 H GLU A 14 -1.580 9.374 -7.675 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.230 12.003 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.211 10.966 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.585 11.321 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.613 13.307 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.044 13.687 -6.964 1.00 0.00 H new ATOM 224 N ALA A 15 1.407 10.501 -7.410 1.00 0.00 N ATOM 225 CA ALA A 15 2.865 10.533 -7.336 1.00 0.00 C ATOM 226 C ALA A 15 3.502 10.773 -8.702 1.00 0.00 C ATOM 227 O ALA A 15 4.337 11.658 -8.860 1.00 0.00 O ATOM 228 CB ALA A 15 3.385 9.236 -6.736 1.00 0.00 C ATOM 0 H ALA A 15 0.982 9.696 -6.950 1.00 0.00 H new ATOM 0 HA ALA A 15 3.144 11.369 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.473 9.269 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.978 9.111 -5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.077 8.397 -7.360 1.00 0.00 H new ATOM 234 N LYS A 16 3.108 9.981 -9.689 1.00 0.00 N ATOM 235 CA LYS A 16 3.656 10.110 -11.036 1.00 0.00 C ATOM 236 C LYS A 16 3.621 11.560 -11.519 1.00 0.00 C ATOM 237 O LYS A 16 4.615 12.080 -12.026 1.00 0.00 O ATOM 238 CB LYS A 16 2.879 9.221 -12.009 1.00 0.00 C ATOM 239 CG LYS A 16 3.279 7.755 -11.945 1.00 0.00 C ATOM 240 CD LYS A 16 3.853 7.272 -13.268 1.00 0.00 C ATOM 241 CE LYS A 16 4.771 6.076 -13.074 1.00 0.00 C ATOM 242 NZ LYS A 16 4.960 5.309 -14.337 1.00 0.00 N ATOM 0 H LYS A 16 2.412 9.243 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 16 4.697 9.789 -11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.814 9.308 -11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.032 9.587 -13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.016 7.613 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.410 7.151 -11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.040 7.002 -13.942 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.405 8.082 -13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.739 6.417 -12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.355 5.420 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.592 4.502 -14.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.039 4.961 -14.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.381 5.928 -15.059 1.00 0.00 H new ATOM 256 N ALA A 17 2.466 12.200 -11.377 1.00 0.00 N ATOM 257 CA ALA A 17 2.291 13.579 -11.820 1.00 0.00 C ATOM 258 C ALA A 17 3.058 14.587 -10.958 1.00 0.00 C ATOM 259 O ALA A 17 3.921 15.309 -11.460 1.00 0.00 O ATOM 260 CB ALA A 17 0.812 13.933 -11.841 1.00 0.00 C ATOM 0 H ALA A 17 1.634 11.785 -10.957 1.00 0.00 H new ATOM 0 HA ALA A 17 2.706 13.643 -12.826 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.689 14.964 -12.173 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.288 13.267 -12.526 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.397 13.822 -10.839 1.00 0.00 H new ATOM 266 N LYS A 18 2.715 14.665 -9.673 1.00 0.00 N ATOM 267 CA LYS A 18 3.348 15.627 -8.769 1.00 0.00 C ATOM 268 C LYS A 18 4.604 15.078 -8.089 1.00 0.00 C ATOM 269 O LYS A 18 5.046 15.621 -7.076 1.00 0.00 O ATOM 270 CB LYS A 18 2.346 16.076 -7.703 1.00 0.00 C ATOM 271 CG LYS A 18 2.620 17.469 -7.162 1.00 0.00 C ATOM 272 CD LYS A 18 2.235 18.543 -8.167 1.00 0.00 C ATOM 273 CE LYS A 18 0.733 18.768 -8.191 1.00 0.00 C ATOM 274 NZ LYS A 18 0.292 19.447 -9.441 1.00 0.00 N ATOM 0 H LYS A 18 2.006 14.077 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 18 3.660 16.473 -9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.342 16.050 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.363 15.364 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.062 17.618 -6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.677 17.563 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.740 19.476 -7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.577 18.253 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.221 17.810 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.442 19.369 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.739 19.582 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.761 20.372 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.546 18.862 -10.262 1.00 0.00 H new ATOM 288 N TYR A 19 5.188 14.021 -8.642 1.00 0.00 N ATOM 289 CA TYR A 19 6.399 13.440 -8.065 1.00 0.00 C ATOM 290 C TYR A 19 7.155 12.602 -9.094 1.00 0.00 C ATOM 291 O TYR A 19 6.588 11.708 -9.722 1.00 0.00 O ATOM 292 CB TYR A 19 6.061 12.587 -6.836 1.00 0.00 C ATOM 293 CG TYR A 19 5.598 13.392 -5.643 1.00 0.00 C ATOM 294 CD1 TYR A 19 6.514 13.932 -4.748 1.00 0.00 C ATOM 295 CD2 TYR A 19 4.246 13.614 -5.412 1.00 0.00 C ATOM 296 CE1 TYR A 19 6.095 14.669 -3.656 1.00 0.00 C ATOM 297 CE2 TYR A 19 3.820 14.350 -4.323 1.00 0.00 C ATOM 298 CZ TYR A 19 4.748 14.875 -3.448 1.00 0.00 C ATOM 299 OH TYR A 19 4.327 15.608 -2.363 1.00 0.00 O ATOM 0 H TYR A 19 4.848 13.551 -9.481 1.00 0.00 H new ATOM 0 HA TYR A 19 7.043 14.263 -7.754 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.283 11.872 -7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.941 12.009 -6.553 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.570 13.773 -4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.516 13.205 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.819 15.081 -2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.765 14.513 -4.158 1.00 0.00 H new ATOM 0 HH TYR A 19 3.348 15.660 -2.363 1.00 0.00 H new ATOM 309 N ASP A 20 8.440 12.898 -9.259 1.00 0.00 N ATOM 310 CA ASP A 20 9.275 12.172 -10.209 1.00 0.00 C ATOM 311 C ASP A 20 9.605 10.778 -9.685 1.00 0.00 C ATOM 312 O ASP A 20 10.131 10.627 -8.584 1.00 0.00 O ATOM 313 CB ASP A 20 10.567 12.946 -10.479 1.00 0.00 C ATOM 314 CG ASP A 20 10.319 14.242 -11.226 1.00 0.00 C ATOM 315 OD1 ASP A 20 9.669 14.199 -12.291 1.00 0.00 O ATOM 316 OD2 ASP A 20 10.775 15.300 -10.744 1.00 0.00 O ATOM 0 H ASP A 20 8.926 13.635 -8.748 1.00 0.00 H new ATOM 0 HA ASP A 20 8.719 12.070 -11.141 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.061 13.164 -9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.248 12.321 -11.057 1.00 0.00 H new ATOM 321 N ILE A 21 9.291 9.762 -10.482 1.00 0.00 N ATOM 322 CA ILE A 21 9.553 8.381 -10.096 1.00 0.00 C ATOM 323 C ILE A 21 11.002 7.995 -10.371 1.00 0.00 C ATOM 324 O ILE A 21 11.623 8.499 -11.307 1.00 0.00 O ATOM 325 CB ILE A 21 8.625 7.404 -10.839 1.00 0.00 C ATOM 326 CG1 ILE A 21 7.174 7.880 -10.757 1.00 0.00 C ATOM 327 CG2 ILE A 21 8.762 6.001 -10.267 1.00 0.00 C ATOM 328 CD1 ILE A 21 6.748 8.728 -11.937 1.00 0.00 C ATOM 0 H ILE A 21 8.855 9.869 -11.398 1.00 0.00 H new ATOM 0 HA ILE A 21 9.360 8.313 -9.025 1.00 0.00 H new ATOM 0 HB ILE A 21 8.919 7.376 -11.888 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.519 7.012 -10.688 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.040 8.454 -9.840 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.099 5.323 -10.804 1.00 0.00 H new ATOM 0 HG22 ILE A 21 9.792 5.663 -10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.493 6.011 -9.211 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.708 9.030 -11.812 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.379 9.615 -11.994 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.850 8.150 -12.856 1.00 0.00 H new ATOM 340 N LEU A 22 11.533 7.095 -9.550 1.00 0.00 N ATOM 341 CA LEU A 22 12.909 6.636 -9.703 1.00 0.00 C ATOM 342 C LEU A 22 13.006 5.129 -9.492 1.00 0.00 C ATOM 343 O LEU A 22 13.359 4.384 -10.406 1.00 0.00 O ATOM 344 CB LEU A 22 13.825 7.362 -8.715 1.00 0.00 C ATOM 345 CG LEU A 22 15.209 7.721 -9.258 1.00 0.00 C ATOM 346 CD1 LEU A 22 15.900 6.486 -9.815 1.00 0.00 C ATOM 347 CD2 LEU A 22 15.100 8.799 -10.324 1.00 0.00 C ATOM 0 H LEU A 22 11.031 6.669 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 22 13.231 6.864 -10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.330 8.277 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.949 6.736 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 22 15.811 8.110 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.883 6.760 -10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.012 5.744 -9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.301 6.067 -10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.094 9.042 -10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.481 8.438 -11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.647 9.692 -9.894 1.00 0.00 H new ATOM 359 N GLU A 23 12.687 4.686 -8.279 1.00 0.00 N ATOM 360 CA GLU A 23 12.735 3.267 -7.945 1.00 0.00 C ATOM 361 C GLU A 23 11.449 2.830 -7.251 1.00 0.00 C ATOM 362 O GLU A 23 10.830 3.607 -6.525 1.00 0.00 O ATOM 363 CB GLU A 23 13.940 2.974 -7.048 1.00 0.00 C ATOM 364 CG GLU A 23 14.050 3.908 -5.854 1.00 0.00 C ATOM 365 CD GLU A 23 14.203 3.163 -4.542 1.00 0.00 C ATOM 366 OE1 GLU A 23 13.214 2.549 -4.088 1.00 0.00 O ATOM 367 OE2 GLU A 23 15.311 3.194 -3.967 1.00 0.00 O ATOM 0 H GLU A 23 12.393 5.290 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 23 12.836 2.702 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.875 1.946 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.851 3.048 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.905 4.570 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.162 4.539 -5.808 1.00 0.00 H new ATOM 374 N THR A 24 11.054 1.581 -7.478 1.00 0.00 N ATOM 375 CA THR A 24 9.839 1.042 -6.874 1.00 0.00 C ATOM 376 C THR A 24 10.159 -0.148 -5.973 1.00 0.00 C ATOM 377 O THR A 24 11.296 -0.620 -5.933 1.00 0.00 O ATOM 378 CB THR A 24 8.848 0.621 -7.960 1.00 0.00 C ATOM 379 OG1 THR A 24 9.449 -0.288 -8.864 1.00 0.00 O ATOM 380 CG2 THR A 24 8.315 1.785 -8.767 1.00 0.00 C ATOM 0 H THR A 24 11.556 0.924 -8.075 1.00 0.00 H new ATOM 0 HA THR A 24 9.389 1.825 -6.264 1.00 0.00 H new ATOM 0 HB THR A 24 8.018 0.157 -7.428 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.798 -0.546 -9.550 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.618 1.417 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.800 2.481 -8.105 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.143 2.296 -9.258 1.00 0.00 H new ATOM 388 N TYR A 25 9.151 -0.628 -5.253 1.00 0.00 N ATOM 389 CA TYR A 25 9.325 -1.763 -4.352 1.00 0.00 C ATOM 390 C TYR A 25 8.184 -2.762 -4.510 1.00 0.00 C ATOM 391 O TYR A 25 7.123 -2.429 -5.039 1.00 0.00 O ATOM 392 CB TYR A 25 9.406 -1.284 -2.903 1.00 0.00 C ATOM 393 CG TYR A 25 10.235 -2.182 -2.014 1.00 0.00 C ATOM 394 CD1 TYR A 25 11.426 -2.734 -2.467 1.00 0.00 C ATOM 395 CD2 TYR A 25 9.824 -2.476 -0.720 1.00 0.00 C ATOM 396 CE1 TYR A 25 12.184 -3.555 -1.656 1.00 0.00 C ATOM 397 CE2 TYR A 25 10.578 -3.295 0.096 1.00 0.00 C ATOM 398 CZ TYR A 25 11.757 -3.832 -0.375 1.00 0.00 C ATOM 399 OH TYR A 25 12.512 -4.649 0.434 1.00 0.00 O ATOM 0 H TYR A 25 8.204 -0.249 -5.275 1.00 0.00 H new ATOM 0 HA TYR A 25 10.258 -2.262 -4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.828 -0.279 -2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.398 -1.214 -2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.765 -2.518 -3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.901 -2.058 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.107 -3.978 -2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.245 -3.514 1.100 1.00 0.00 H new ATOM 0 HH TYR A 25 13.298 -4.158 0.752 1.00 0.00 H new ATOM 409 N GLU A 26 8.404 -3.988 -4.040 1.00 0.00 N ATOM 410 CA GLU A 26 7.390 -5.032 -4.131 1.00 0.00 C ATOM 411 C GLU A 26 7.091 -5.622 -2.758 1.00 0.00 C ATOM 412 O GLU A 26 7.990 -6.087 -2.062 1.00 0.00 O ATOM 413 CB GLU A 26 7.850 -6.136 -5.084 1.00 0.00 C ATOM 414 CG GLU A 26 6.725 -6.726 -5.919 1.00 0.00 C ATOM 415 CD GLU A 26 6.325 -8.114 -5.461 1.00 0.00 C ATOM 416 OE1 GLU A 26 6.326 -8.359 -4.237 1.00 0.00 O ATOM 417 OE2 GLU A 26 6.010 -8.958 -6.327 1.00 0.00 O ATOM 0 H GLU A 26 9.273 -4.281 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 26 6.476 -4.583 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.614 -5.735 -5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.318 -6.932 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.858 -6.068 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.036 -6.767 -6.963 1.00 0.00 H new ATOM 424 N ALA A 27 5.820 -5.601 -2.375 1.00 0.00 N ATOM 425 CA ALA A 27 5.409 -6.138 -1.085 1.00 0.00 C ATOM 426 C ALA A 27 4.165 -7.010 -1.223 1.00 0.00 C ATOM 427 O ALA A 27 3.371 -6.835 -2.146 1.00 0.00 O ATOM 428 CB ALA A 27 5.160 -5.007 -0.099 1.00 0.00 C ATOM 0 H ALA A 27 5.059 -5.219 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 27 6.216 -6.764 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.853 -5.422 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.075 -4.430 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.373 -4.358 -0.482 1.00 0.00 H new ATOM 434 N GLY A 28 4.000 -7.945 -0.294 1.00 0.00 N ATOM 435 CA GLY A 28 2.844 -8.821 -0.323 1.00 0.00 C ATOM 436 C GLY A 28 2.046 -8.734 0.959 1.00 0.00 C ATOM 437 O GLY A 28 2.585 -8.932 2.046 1.00 0.00 O ATOM 0 H GLY A 28 4.646 -8.112 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.207 -8.556 -1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.170 -9.849 -0.480 1.00 0.00 H new ATOM 441 N ILE A 29 0.760 -8.427 0.838 1.00 0.00 N ATOM 442 CA ILE A 29 -0.105 -8.299 2.005 1.00 0.00 C ATOM 443 C ILE A 29 -0.730 -9.635 2.388 1.00 0.00 C ATOM 444 O ILE A 29 -1.143 -10.412 1.526 1.00 0.00 O ATOM 445 CB ILE A 29 -1.225 -7.267 1.771 1.00 0.00 C ATOM 446 CG1 ILE A 29 -0.703 -6.084 0.952 1.00 0.00 C ATOM 447 CG2 ILE A 29 -1.790 -6.790 3.100 1.00 0.00 C ATOM 448 CD1 ILE A 29 -0.975 -6.207 -0.531 1.00 0.00 C ATOM 0 H ILE A 29 0.294 -8.262 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 29 0.529 -7.955 2.822 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.025 -7.746 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.161 -5.167 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.371 -5.990 1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.580 -6.061 2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.198 -7.639 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.997 -6.327 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.577 -5.333 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.494 -7.106 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.050 -6.270 -0.700 1.00 0.00 H new ATOM 460 N VAL A 30 -0.798 -9.891 3.690 1.00 0.00 N ATOM 461 CA VAL A 30 -1.373 -11.128 4.201 1.00 0.00 C ATOM 462 C VAL A 30 -2.479 -10.835 5.209 1.00 0.00 C ATOM 463 O VAL A 30 -2.222 -10.702 6.405 1.00 0.00 O ATOM 464 CB VAL A 30 -0.305 -12.009 4.873 1.00 0.00 C ATOM 465 CG1 VAL A 30 0.574 -12.676 3.825 1.00 0.00 C ATOM 466 CG2 VAL A 30 0.535 -11.186 5.839 1.00 0.00 C ATOM 0 H VAL A 30 -0.460 -9.255 4.412 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.788 -11.664 3.347 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.809 -12.791 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.323 -13.295 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.042 -13.300 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.071 -11.912 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.285 -11.825 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.031 -10.382 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.108 -10.761 6.609 1.00 0.00 H new ATOM 476 N LEU A 31 -3.711 -10.729 4.716 1.00 0.00 N ATOM 477 CA LEU A 31 -4.859 -10.446 5.562 1.00 0.00 C ATOM 478 C LEU A 31 -4.911 -11.371 6.774 1.00 0.00 C ATOM 479 O LEU A 31 -4.069 -12.255 6.932 1.00 0.00 O ATOM 480 CB LEU A 31 -6.136 -10.581 4.745 1.00 0.00 C ATOM 481 CG LEU A 31 -6.047 -10.070 3.303 1.00 0.00 C ATOM 482 CD1 LEU A 31 -5.115 -8.869 3.183 1.00 0.00 C ATOM 483 CD2 LEU A 31 -5.621 -11.188 2.357 1.00 0.00 C ATOM 0 H LEU A 31 -3.937 -10.836 3.727 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.763 -9.426 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.425 -11.632 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.934 -10.041 5.256 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.043 -9.736 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.080 -8.538 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.484 -8.058 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.114 -9.152 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.565 -10.802 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.643 -11.565 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.350 -11.997 2.398 1.00 0.00 H new ATOM 495 N LYS A 32 -5.909 -11.160 7.626 1.00 0.00 N ATOM 496 CA LYS A 32 -6.075 -11.973 8.826 1.00 0.00 C ATOM 497 C LYS A 32 -7.528 -11.963 9.291 1.00 0.00 C ATOM 498 O LYS A 32 -7.960 -11.044 9.988 1.00 0.00 O ATOM 499 CB LYS A 32 -5.164 -11.460 9.944 1.00 0.00 C ATOM 500 CG LYS A 32 -3.930 -12.319 10.168 1.00 0.00 C ATOM 501 CD LYS A 32 -2.951 -11.650 11.120 1.00 0.00 C ATOM 502 CE LYS A 32 -3.133 -12.141 12.547 1.00 0.00 C ATOM 503 NZ LYS A 32 -2.005 -13.009 12.984 1.00 0.00 N ATOM 0 H LYS A 32 -6.615 -10.433 7.508 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.797 -12.999 8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.850 -10.443 9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.734 -11.410 10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.227 -13.287 10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.439 -12.509 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.931 -11.850 10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.090 -10.569 11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.214 -11.286 13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.068 -12.695 12.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.167 -13.323 13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.943 -13.839 12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.115 -12.473 12.936 1.00 0.00 H new ATOM 517 N GLY A 33 -8.277 -12.990 8.903 1.00 0.00 N ATOM 518 CA GLY A 33 -9.672 -13.080 9.291 1.00 0.00 C ATOM 519 C GLY A 33 -10.605 -13.139 8.098 1.00 0.00 C ATOM 520 O GLY A 33 -10.321 -13.821 7.114 1.00 0.00 O ATOM 0 H GLY A 33 -7.942 -13.762 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.818 -13.968 9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.930 -12.219 9.908 1.00 0.00 H new ATOM 524 N SER A 34 -11.722 -12.424 8.186 1.00 0.00 N ATOM 525 CA SER A 34 -12.700 -12.400 7.105 1.00 0.00 C ATOM 526 C SER A 34 -12.522 -11.160 6.231 1.00 0.00 C ATOM 527 O SER A 34 -13.461 -10.716 5.570 1.00 0.00 O ATOM 528 CB SER A 34 -14.119 -12.437 7.674 1.00 0.00 C ATOM 529 OG SER A 34 -14.351 -11.339 8.540 1.00 0.00 O ATOM 0 H SER A 34 -11.972 -11.854 8.994 1.00 0.00 H new ATOM 0 HA SER A 34 -12.539 -13.282 6.486 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.842 -12.420 6.858 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.272 -13.370 8.216 1.00 0.00 H new ATOM 0 HG SER A 34 -15.266 -11.385 8.889 1.00 0.00 H new ATOM 535 N GLU A 35 -11.313 -10.608 6.231 1.00 0.00 N ATOM 536 CA GLU A 35 -11.010 -9.423 5.435 1.00 0.00 C ATOM 537 C GLU A 35 -11.001 -9.757 3.946 1.00 0.00 C ATOM 538 O GLU A 35 -11.623 -9.067 3.139 1.00 0.00 O ATOM 539 CB GLU A 35 -9.659 -8.836 5.848 1.00 0.00 C ATOM 540 CG GLU A 35 -9.454 -8.776 7.354 1.00 0.00 C ATOM 541 CD GLU A 35 -8.272 -7.914 7.747 1.00 0.00 C ATOM 542 OE1 GLU A 35 -7.249 -7.946 7.032 1.00 0.00 O ATOM 543 OE2 GLU A 35 -8.369 -7.205 8.772 1.00 0.00 O ATOM 0 H GLU A 35 -10.526 -10.963 6.774 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.789 -8.683 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.862 -9.434 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.569 -7.830 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.356 -8.385 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.306 -9.786 7.737 1.00 0.00 H new ATOM 550 N VAL A 36 -10.281 -10.817 3.592 1.00 0.00 N ATOM 551 CA VAL A 36 -10.174 -11.252 2.202 1.00 0.00 C ATOM 552 C VAL A 36 -11.544 -11.358 1.535 1.00 0.00 C ATOM 553 O VAL A 36 -11.751 -10.844 0.436 1.00 0.00 O ATOM 554 CB VAL A 36 -9.469 -12.618 2.099 1.00 0.00 C ATOM 555 CG1 VAL A 36 -9.179 -12.961 0.646 1.00 0.00 C ATOM 556 CG2 VAL A 36 -8.189 -12.626 2.924 1.00 0.00 C ATOM 0 H VAL A 36 -9.760 -11.394 4.252 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.584 -10.494 1.686 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.136 -13.380 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.681 -13.929 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -10.115 -13.003 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.533 -12.197 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.707 -13.600 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.514 -11.853 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.429 -12.431 3.969 1.00 0.00 H new ATOM 566 N LYS A 37 -12.468 -12.042 2.199 1.00 0.00 N ATOM 567 CA LYS A 37 -13.814 -12.235 1.666 1.00 0.00 C ATOM 568 C LYS A 37 -14.607 -10.932 1.631 1.00 0.00 C ATOM 569 O LYS A 37 -15.211 -10.596 0.613 1.00 0.00 O ATOM 570 CB LYS A 37 -14.566 -13.282 2.490 1.00 0.00 C ATOM 571 CG LYS A 37 -14.406 -14.699 1.962 1.00 0.00 C ATOM 572 CD LYS A 37 -15.242 -15.687 2.758 1.00 0.00 C ATOM 573 CE LYS A 37 -14.581 -16.037 4.082 1.00 0.00 C ATOM 574 NZ LYS A 37 -13.159 -16.439 3.902 1.00 0.00 N ATOM 0 H LYS A 37 -12.311 -12.474 3.110 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.709 -12.587 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.212 -13.245 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.626 -13.027 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.701 -14.733 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.356 -14.989 2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.229 -15.263 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.390 -16.595 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.634 -15.179 4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.130 -16.849 4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.869 -17.052 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.055 -16.956 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.558 -15.590 3.884 1.00 0.00 H new ATOM 588 N SER A 38 -14.624 -10.207 2.744 1.00 0.00 N ATOM 589 CA SER A 38 -15.369 -8.952 2.825 1.00 0.00 C ATOM 590 C SER A 38 -15.056 -8.036 1.640 1.00 0.00 C ATOM 591 O SER A 38 -15.959 -7.602 0.921 1.00 0.00 O ATOM 592 CB SER A 38 -15.049 -8.233 4.138 1.00 0.00 C ATOM 593 OG SER A 38 -16.232 -7.946 4.863 1.00 0.00 O ATOM 0 H SER A 38 -14.133 -10.464 3.600 1.00 0.00 H new ATOM 0 HA SER A 38 -16.431 -9.193 2.793 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.388 -8.853 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.513 -7.307 3.928 1.00 0.00 H new ATOM 0 HG SER A 38 -16.001 -7.488 5.698 1.00 0.00 H new ATOM 599 N LEU A 39 -13.774 -7.749 1.441 1.00 0.00 N ATOM 600 CA LEU A 39 -13.344 -6.886 0.345 1.00 0.00 C ATOM 601 C LEU A 39 -13.671 -7.508 -1.010 1.00 0.00 C ATOM 602 O LEU A 39 -14.238 -6.844 -1.881 1.00 0.00 O ATOM 603 CB LEU A 39 -11.847 -6.595 0.439 1.00 0.00 C ATOM 604 CG LEU A 39 -11.347 -6.180 1.825 1.00 0.00 C ATOM 605 CD1 LEU A 39 -9.833 -6.299 1.903 1.00 0.00 C ATOM 606 CD2 LEU A 39 -11.787 -4.759 2.147 1.00 0.00 C ATOM 0 H LEU A 39 -13.014 -8.101 2.024 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.891 -5.947 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.300 -7.484 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.602 -5.804 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.784 -6.852 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.495 -6.000 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.539 -7.332 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.378 -5.651 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.423 -4.481 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.378 -4.074 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.875 -4.703 2.132 1.00 0.00 H new ATOM 618 N ARG A 40 -13.310 -8.778 -1.188 1.00 0.00 N ATOM 619 CA ARG A 40 -13.565 -9.477 -2.447 1.00 0.00 C ATOM 620 C ARG A 40 -15.016 -9.297 -2.889 1.00 0.00 C ATOM 621 O ARG A 40 -15.288 -8.943 -4.036 1.00 0.00 O ATOM 622 CB ARG A 40 -13.249 -10.967 -2.299 1.00 0.00 C ATOM 623 CG ARG A 40 -13.011 -11.673 -3.624 1.00 0.00 C ATOM 624 CD ARG A 40 -13.362 -13.149 -3.540 1.00 0.00 C ATOM 625 NE ARG A 40 -12.286 -13.935 -2.943 1.00 0.00 N ATOM 626 CZ ARG A 40 -11.106 -14.142 -3.525 1.00 0.00 C ATOM 627 NH1 ARG A 40 -10.846 -13.617 -4.715 1.00 0.00 N ATOM 628 NH2 ARG A 40 -10.185 -14.873 -2.913 1.00 0.00 N ATOM 0 H ARG A 40 -12.842 -9.342 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 40 -12.916 -9.046 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.365 -11.082 -1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.074 -11.455 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.609 -11.199 -4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.966 -11.562 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.271 -13.272 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.576 -13.528 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.448 -14.350 -2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.551 -13.052 -5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.941 -13.778 -5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.380 -15.277 -1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.281 -15.032 -3.358 1.00 0.00 H new ATOM 642 N GLU A 41 -15.943 -9.543 -1.968 1.00 0.00 N ATOM 643 CA GLU A 41 -17.369 -9.410 -2.252 1.00 0.00 C ATOM 644 C GLU A 41 -17.691 -8.038 -2.838 1.00 0.00 C ATOM 645 O GLU A 41 -18.095 -7.929 -3.996 1.00 0.00 O ATOM 646 CB GLU A 41 -18.185 -9.637 -0.976 1.00 0.00 C ATOM 647 CG GLU A 41 -18.782 -11.031 -0.878 1.00 0.00 C ATOM 648 CD GLU A 41 -19.977 -11.220 -1.791 1.00 0.00 C ATOM 649 OE1 GLU A 41 -19.778 -11.630 -2.953 1.00 0.00 O ATOM 650 OE2 GLU A 41 -21.114 -10.956 -1.343 1.00 0.00 O ATOM 0 H GLU A 41 -15.731 -9.837 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.636 -10.166 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.547 -9.462 -0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.989 -8.902 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -18.018 -11.767 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.083 -11.222 0.152 1.00 0.00 H new ATOM 769 N ASP A 49 -6.251 8.308 1.182 1.00 0.00 N ATOM 770 CA ASP A 49 -5.386 8.847 2.225 1.00 0.00 C ATOM 771 C ASP A 49 -4.550 7.738 2.856 1.00 0.00 C ATOM 772 O ASP A 49 -4.321 7.726 4.066 1.00 0.00 O ATOM 773 CB ASP A 49 -6.214 9.558 3.297 1.00 0.00 C ATOM 774 CG ASP A 49 -5.593 10.870 3.730 1.00 0.00 C ATOM 775 OD1 ASP A 49 -5.673 11.849 2.958 1.00 0.00 O ATOM 776 OD2 ASP A 49 -5.025 10.920 4.842 1.00 0.00 O ATOM 0 HA ASP A 49 -4.713 9.572 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.218 9.743 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.319 8.905 4.164 1.00 0.00 H new ATOM 781 N SER A 50 -4.103 6.803 2.025 1.00 0.00 N ATOM 782 CA SER A 50 -3.295 5.683 2.493 1.00 0.00 C ATOM 783 C SER A 50 -1.871 5.763 1.943 1.00 0.00 C ATOM 784 O SER A 50 -1.667 5.847 0.732 1.00 0.00 O ATOM 785 CB SER A 50 -3.937 4.359 2.080 1.00 0.00 C ATOM 786 OG SER A 50 -4.351 4.393 0.725 1.00 0.00 O ATOM 0 H SER A 50 -4.287 6.799 1.022 1.00 0.00 H new ATOM 0 HA SER A 50 -3.246 5.736 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.226 3.546 2.226 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.794 4.152 2.720 1.00 0.00 H new ATOM 0 HG SER A 50 -3.670 4.848 0.186 1.00 0.00 H new ATOM 792 N PHE A 51 -0.892 5.729 2.843 1.00 0.00 N ATOM 793 CA PHE A 51 0.514 5.789 2.454 1.00 0.00 C ATOM 794 C PHE A 51 1.234 4.499 2.839 1.00 0.00 C ATOM 795 O PHE A 51 0.694 3.675 3.578 1.00 0.00 O ATOM 796 CB PHE A 51 1.199 6.985 3.118 1.00 0.00 C ATOM 797 CG PHE A 51 0.422 8.266 2.994 1.00 0.00 C ATOM 798 CD1 PHE A 51 0.313 8.910 1.771 1.00 0.00 C ATOM 799 CD2 PHE A 51 -0.198 8.824 4.100 1.00 0.00 C ATOM 800 CE1 PHE A 51 -0.401 10.087 1.655 1.00 0.00 C ATOM 801 CE2 PHE A 51 -0.914 10.000 3.989 1.00 0.00 C ATOM 802 CZ PHE A 51 -1.016 10.633 2.765 1.00 0.00 C ATOM 0 H PHE A 51 -1.047 5.660 3.849 1.00 0.00 H new ATOM 0 HA PHE A 51 0.564 5.908 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.354 6.764 4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.184 7.122 2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.791 8.487 0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.121 8.334 5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.478 10.580 0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.394 10.425 4.858 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.575 11.553 2.676 1.00 0.00 H new ATOM 812 N VAL A 52 2.451 4.323 2.333 1.00 0.00 N ATOM 813 CA VAL A 52 3.232 3.126 2.629 1.00 0.00 C ATOM 814 C VAL A 52 4.588 3.479 3.237 1.00 0.00 C ATOM 815 O VAL A 52 5.363 4.236 2.653 1.00 0.00 O ATOM 816 CB VAL A 52 3.454 2.272 1.364 1.00 0.00 C ATOM 817 CG1 VAL A 52 4.306 3.020 0.348 1.00 0.00 C ATOM 818 CG2 VAL A 52 4.091 0.939 1.725 1.00 0.00 C ATOM 0 H VAL A 52 2.916 4.991 1.718 1.00 0.00 H new ATOM 0 HA VAL A 52 2.656 2.549 3.353 1.00 0.00 H new ATOM 0 HB VAL A 52 2.483 2.076 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.449 2.398 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.804 3.945 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.276 3.254 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.240 0.350 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.053 1.114 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.437 0.396 2.408 1.00 0.00 H new ATOM 828 N ARG A 53 4.868 2.915 4.407 1.00 0.00 N ATOM 829 CA ARG A 53 6.132 3.160 5.094 1.00 0.00 C ATOM 830 C ARG A 53 6.845 1.843 5.384 1.00 0.00 C ATOM 831 O ARG A 53 6.275 0.942 5.999 1.00 0.00 O ATOM 832 CB ARG A 53 5.890 3.923 6.397 1.00 0.00 C ATOM 833 CG ARG A 53 7.169 4.370 7.088 1.00 0.00 C ATOM 834 CD ARG A 53 7.206 5.878 7.278 1.00 0.00 C ATOM 835 NE ARG A 53 8.278 6.290 8.181 1.00 0.00 N ATOM 836 CZ ARG A 53 8.217 6.175 9.505 1.00 0.00 C ATOM 837 NH1 ARG A 53 7.140 5.660 10.085 1.00 0.00 N ATOM 838 NH2 ARG A 53 9.237 6.575 10.253 1.00 0.00 N ATOM 0 H ARG A 53 4.236 2.284 4.900 1.00 0.00 H new ATOM 0 HA ARG A 53 6.765 3.765 4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.276 4.798 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.321 3.290 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.250 3.879 8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.030 4.056 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.341 6.362 6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.249 6.217 7.673 1.00 0.00 H new ATOM 0 HE ARG A 53 9.123 6.689 7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.353 5.350 9.515 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.099 5.574 11.101 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.068 6.971 9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.190 6.487 11.268 1.00 0.00 H new ATOM 852 N ILE A 54 8.089 1.727 4.932 1.00 0.00 N ATOM 853 CA ILE A 54 8.867 0.510 5.142 1.00 0.00 C ATOM 854 C ILE A 54 9.496 0.490 6.530 1.00 0.00 C ATOM 855 O ILE A 54 10.166 1.441 6.934 1.00 0.00 O ATOM 856 CB ILE A 54 9.975 0.360 4.083 1.00 0.00 C ATOM 857 CG1 ILE A 54 10.794 1.649 3.978 1.00 0.00 C ATOM 858 CG2 ILE A 54 9.373 -0.007 2.735 1.00 0.00 C ATOM 859 CD1 ILE A 54 12.275 1.441 4.204 1.00 0.00 C ATOM 0 H ILE A 54 8.580 2.459 4.419 1.00 0.00 H new ATOM 0 HA ILE A 54 8.174 -0.326 5.050 1.00 0.00 H new ATOM 0 HB ILE A 54 10.643 -0.444 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.643 2.087 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.420 2.368 4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.169 -0.109 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.835 -0.951 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.684 0.776 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.794 2.395 4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.437 1.031 5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.663 0.746 3.459 1.00 0.00 H new ATOM 871 N GLU A 55 9.273 -0.601 7.256 1.00 0.00 N ATOM 872 CA GLU A 55 9.815 -0.751 8.600 1.00 0.00 C ATOM 873 C GLU A 55 10.871 -1.852 8.644 1.00 0.00 C ATOM 874 O GLU A 55 10.767 -2.852 7.929 1.00 0.00 O ATOM 875 CB GLU A 55 8.693 -1.065 9.591 1.00 0.00 C ATOM 876 CG GLU A 55 7.472 -0.173 9.428 1.00 0.00 C ATOM 877 CD GLU A 55 7.650 1.184 10.078 1.00 0.00 C ATOM 878 OE1 GLU A 55 8.288 1.250 11.150 1.00 0.00 O ATOM 879 OE2 GLU A 55 7.153 2.182 9.515 1.00 0.00 O ATOM 0 H GLU A 55 8.719 -1.395 6.934 1.00 0.00 H new ATOM 0 HA GLU A 55 10.288 0.190 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.392 -2.105 9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.076 -0.961 10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.264 -0.039 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.604 -0.669 9.863 1.00 0.00 H new ATOM 886 N ASN A 56 11.886 -1.654 9.487 1.00 0.00 N ATOM 887 CA ASN A 56 12.979 -2.615 9.641 1.00 0.00 C ATOM 888 C ASN A 56 12.474 -4.052 9.556 1.00 0.00 C ATOM 889 O ASN A 56 12.010 -4.621 10.544 1.00 0.00 O ATOM 890 CB ASN A 56 13.695 -2.393 10.975 1.00 0.00 C ATOM 891 CG ASN A 56 15.028 -3.113 11.042 1.00 0.00 C ATOM 892 OD1 ASN A 56 15.101 -4.327 10.855 1.00 0.00 O ATOM 893 ND2 ASN A 56 16.091 -2.365 11.312 1.00 0.00 N ATOM 0 H ASN A 56 11.973 -0.828 10.079 1.00 0.00 H new ATOM 0 HA ASN A 56 13.681 -2.454 8.823 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.854 -1.325 11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.057 -2.738 11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.015 -2.794 11.371 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.984 -1.361 11.460 1.00 0.00 H new ATOM 900 N GLY A 57 12.566 -4.626 8.363 1.00 0.00 N ATOM 901 CA GLY A 57 12.113 -5.985 8.154 1.00 0.00 C ATOM 902 C GLY A 57 11.448 -6.162 6.804 1.00 0.00 C ATOM 903 O GLY A 57 12.002 -6.805 5.914 1.00 0.00 O ATOM 0 H GLY A 57 12.948 -4.171 7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.961 -6.666 8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.411 -6.258 8.942 1.00 0.00 H new ATOM 907 N GLU A 58 10.262 -5.579 6.649 1.00 0.00 N ATOM 908 CA GLU A 58 9.523 -5.669 5.394 1.00 0.00 C ATOM 909 C GLU A 58 8.769 -4.373 5.118 1.00 0.00 C ATOM 910 O GLU A 58 8.763 -3.462 5.946 1.00 0.00 O ATOM 911 CB GLU A 58 8.544 -6.844 5.438 1.00 0.00 C ATOM 912 CG GLU A 58 9.134 -8.108 6.043 1.00 0.00 C ATOM 913 CD GLU A 58 8.925 -8.187 7.542 1.00 0.00 C ATOM 914 OE1 GLU A 58 7.763 -8.343 7.974 1.00 0.00 O ATOM 915 OE2 GLU A 58 9.924 -8.091 8.287 1.00 0.00 O ATOM 0 H GLU A 58 9.793 -5.040 7.377 1.00 0.00 H new ATOM 0 HA GLU A 58 10.238 -5.833 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.665 -6.552 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.204 -7.061 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.681 -8.979 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.201 -8.147 5.826 1.00 0.00 H new ATOM 922 N ALA A 59 8.132 -4.291 3.953 1.00 0.00 N ATOM 923 CA ALA A 59 7.371 -3.104 3.593 1.00 0.00 C ATOM 924 C ALA A 59 6.023 -3.105 4.307 1.00 0.00 C ATOM 925 O ALA A 59 5.290 -4.091 4.264 1.00 0.00 O ATOM 926 CB ALA A 59 7.178 -3.033 2.086 1.00 0.00 C ATOM 0 H ALA A 59 8.129 -5.028 3.248 1.00 0.00 H new ATOM 0 HA ALA A 59 7.929 -2.223 3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.607 -2.139 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.151 -2.992 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.638 -3.917 1.746 1.00 0.00 H new ATOM 932 N TRP A 60 5.705 -2.000 4.971 1.00 0.00 N ATOM 933 CA TRP A 60 4.448 -1.877 5.700 1.00 0.00 C ATOM 934 C TRP A 60 3.488 -0.939 4.977 1.00 0.00 C ATOM 935 O TRP A 60 3.913 -0.018 4.279 1.00 0.00 O ATOM 936 CB TRP A 60 4.707 -1.367 7.119 1.00 0.00 C ATOM 937 CG TRP A 60 4.710 -2.455 8.147 1.00 0.00 C ATOM 938 CD1 TRP A 60 5.784 -3.186 8.566 1.00 0.00 C ATOM 939 CD2 TRP A 60 3.582 -2.937 8.885 1.00 0.00 C ATOM 940 NE1 TRP A 60 5.393 -4.092 9.521 1.00 0.00 N ATOM 941 CE2 TRP A 60 4.044 -3.959 9.734 1.00 0.00 C ATOM 942 CE3 TRP A 60 2.225 -2.603 8.908 1.00 0.00 C ATOM 943 CZ2 TRP A 60 3.198 -4.649 10.598 1.00 0.00 C ATOM 944 CZ3 TRP A 60 1.386 -3.287 9.766 1.00 0.00 C ATOM 945 CH2 TRP A 60 1.875 -4.300 10.601 1.00 0.00 C ATOM 0 H TRP A 60 6.302 -1.174 5.020 1.00 0.00 H new ATOM 0 HA TRP A 60 3.989 -2.864 5.753 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.667 -0.851 7.143 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.944 -0.633 7.379 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.793 -3.069 8.200 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.006 -4.756 9.995 1.00 0.00 H new ATOM 0 HE3 TRP A 60 1.839 -1.824 8.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 3.572 -5.431 11.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.336 -3.037 9.794 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.193 -4.816 11.261 1.00 0.00 H new ATOM 956 N LEU A 61 2.192 -1.179 5.147 1.00 0.00 N ATOM 957 CA LEU A 61 1.174 -0.355 4.506 1.00 0.00 C ATOM 958 C LEU A 61 0.194 0.205 5.531 1.00 0.00 C ATOM 959 O LEU A 61 -0.351 -0.531 6.353 1.00 0.00 O ATOM 960 CB LEU A 61 0.417 -1.171 3.457 1.00 0.00 C ATOM 961 CG LEU A 61 -0.025 -0.387 2.221 1.00 0.00 C ATOM 962 CD1 LEU A 61 -0.810 -1.280 1.274 1.00 0.00 C ATOM 963 CD2 LEU A 61 -0.855 0.823 2.626 1.00 0.00 C ATOM 0 H LEU A 61 1.822 -1.936 5.722 1.00 0.00 H new ATOM 0 HA LEU A 61 1.676 0.481 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.050 -1.998 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.465 -1.608 3.926 1.00 0.00 H new ATOM 0 HG LEU A 61 0.866 -0.035 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.116 -0.704 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.184 -2.114 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.694 -1.663 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.161 1.369 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.740 0.492 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.260 1.475 3.265 1.00 0.00 H new ATOM 975 N TYR A 62 -0.029 1.513 5.471 1.00 0.00 N ATOM 976 CA TYR A 62 -0.949 2.178 6.387 1.00 0.00 C ATOM 977 C TYR A 62 -2.029 2.922 5.610 1.00 0.00 C ATOM 978 O TYR A 62 -1.726 3.750 4.752 1.00 0.00 O ATOM 979 CB TYR A 62 -0.190 3.152 7.291 1.00 0.00 C ATOM 980 CG TYR A 62 0.979 2.523 8.014 1.00 0.00 C ATOM 981 CD1 TYR A 62 2.202 2.350 7.379 1.00 0.00 C ATOM 982 CD2 TYR A 62 0.860 2.103 9.333 1.00 0.00 C ATOM 983 CE1 TYR A 62 3.273 1.775 8.037 1.00 0.00 C ATOM 984 CE2 TYR A 62 1.927 1.528 9.998 1.00 0.00 C ATOM 985 CZ TYR A 62 3.131 1.366 9.345 1.00 0.00 C ATOM 986 OH TYR A 62 4.194 0.795 10.004 1.00 0.00 O ATOM 0 H TYR A 62 0.416 2.135 4.796 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.424 1.419 7.008 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.172 3.986 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.881 3.566 8.026 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.318 2.670 6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.081 2.228 9.847 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.217 1.647 7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.818 1.207 11.024 1.00 0.00 H new ATOM 0 HH TYR A 62 3.927 0.565 10.918 1.00 0.00 H new ATOM 996 N ASN A 63 -3.287 2.621 5.909 1.00 0.00 N ATOM 997 CA ASN A 63 -4.406 3.264 5.228 1.00 0.00 C ATOM 998 C ASN A 63 -5.299 4.002 6.218 1.00 0.00 C ATOM 999 O ASN A 63 -5.784 3.417 7.186 1.00 0.00 O ATOM 1000 CB ASN A 63 -5.228 2.228 4.456 1.00 0.00 C ATOM 1001 CG ASN A 63 -4.359 1.236 3.708 1.00 0.00 C ATOM 1002 OD1 ASN A 63 -4.092 1.401 2.516 1.00 0.00 O ATOM 1003 ND2 ASN A 63 -3.912 0.199 4.404 1.00 0.00 N ATOM 0 H ASN A 63 -3.558 1.938 6.616 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.997 3.990 4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.872 1.690 5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.880 2.740 3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.322 -0.501 3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.158 0.102 5.389 1.00 0.00 H new ATOM 1010 N LEU A 64 -5.513 5.290 5.967 1.00 0.00 N ATOM 1011 CA LEU A 64 -6.350 6.107 6.837 1.00 0.00 C ATOM 1012 C LEU A 64 -7.457 6.793 6.040 1.00 0.00 C ATOM 1013 O LEU A 64 -7.592 8.016 6.074 1.00 0.00 O ATOM 1014 CB LEU A 64 -5.501 7.154 7.561 1.00 0.00 C ATOM 1015 CG LEU A 64 -4.235 6.612 8.228 1.00 0.00 C ATOM 1016 CD1 LEU A 64 -3.128 6.431 7.202 1.00 0.00 C ATOM 1017 CD2 LEU A 64 -3.782 7.539 9.346 1.00 0.00 C ATOM 0 H LEU A 64 -5.119 5.789 5.170 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.812 5.452 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.215 7.925 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.116 7.636 8.321 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.464 5.638 8.661 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.235 6.045 7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.453 5.727 6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.900 7.391 6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.880 7.137 9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.571 8.527 8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.570 7.618 10.095 1.00 0.00 H new ATOM 1029 N TYR A 65 -8.248 5.997 5.323 1.00 0.00 N ATOM 1030 CA TYR A 65 -9.345 6.527 4.519 1.00 0.00 C ATOM 1031 C TYR A 65 -10.071 5.406 3.778 1.00 0.00 C ATOM 1032 O TYR A 65 -9.983 5.293 2.555 1.00 0.00 O ATOM 1033 CB TYR A 65 -8.827 7.576 3.527 1.00 0.00 C ATOM 1034 CG TYR A 65 -9.436 8.953 3.715 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -9.784 9.421 4.979 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -9.659 9.787 2.626 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -10.336 10.675 5.149 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -10.210 11.044 2.790 1.00 0.00 C ATOM 1039 CZ TYR A 65 -10.547 11.483 4.053 1.00 0.00 C ATOM 1040 OH TYR A 65 -11.096 12.734 4.219 1.00 0.00 O ATOM 0 H TYR A 65 -8.149 4.983 5.283 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.056 7.006 5.192 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.744 7.652 3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -9.031 7.234 2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.619 8.792 5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.397 9.447 1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -10.601 11.021 6.137 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.376 11.680 1.933 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.177 13.174 3.347 1.00 0.00 H new ATOM 1050 N ILE A 66 -10.792 4.579 4.530 1.00 0.00 N ATOM 1051 CA ILE A 66 -11.538 3.467 3.951 1.00 0.00 C ATOM 1052 C ILE A 66 -12.876 3.280 4.661 1.00 0.00 C ATOM 1053 O ILE A 66 -12.941 3.274 5.890 1.00 0.00 O ATOM 1054 CB ILE A 66 -10.742 2.149 4.030 1.00 0.00 C ATOM 1055 CG1 ILE A 66 -9.299 2.367 3.572 1.00 0.00 C ATOM 1056 CG2 ILE A 66 -11.414 1.072 3.190 1.00 0.00 C ATOM 1057 CD1 ILE A 66 -8.338 2.630 4.710 1.00 0.00 C ATOM 0 H ILE A 66 -10.875 4.659 5.543 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.711 3.714 2.904 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.726 1.816 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.965 1.488 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -9.269 3.208 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.840 0.148 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -12.424 0.899 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -11.460 1.397 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.334 2.775 4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.648 3.526 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.339 1.779 5.391 1.00 0.00 H new ATOM 1069 N ALA A 67 -13.940 3.128 3.880 1.00 0.00 N ATOM 1070 CA ALA A 67 -15.276 2.942 4.438 1.00 0.00 C ATOM 1071 C ALA A 67 -15.975 1.745 3.800 1.00 0.00 C ATOM 1072 O ALA A 67 -16.827 1.905 2.925 1.00 0.00 O ATOM 1073 CB ALA A 67 -16.107 4.203 4.248 1.00 0.00 C ATOM 0 H ALA A 67 -13.904 3.130 2.861 1.00 0.00 H new ATOM 0 HA ALA A 67 -15.174 2.744 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.101 4.051 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -15.623 5.038 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.193 4.425 3.184 1.00 0.00 H new ATOM 1079 N PRO A 68 -15.622 0.520 4.231 1.00 0.00 N ATOM 1080 CA PRO A 68 -16.218 -0.707 3.697 1.00 0.00 C ATOM 1081 C PRO A 68 -17.618 -0.961 4.246 1.00 0.00 C ATOM 1082 O PRO A 68 -18.197 -0.109 4.921 1.00 0.00 O ATOM 1083 CB PRO A 68 -15.254 -1.792 4.171 1.00 0.00 C ATOM 1084 CG PRO A 68 -14.681 -1.258 5.438 1.00 0.00 C ATOM 1085 CD PRO A 68 -14.612 0.239 5.270 1.00 0.00 C ATOM 0 HA PRO A 68 -16.344 -0.666 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.771 -2.737 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.475 -1.981 3.432 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.305 -1.526 6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.691 -1.675 5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.840 0.758 6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.618 0.562 4.960 1.00 0.00 H new ATOM 1289 N ARG A 81 -6.980 1.392 9.832 1.00 0.00 N ATOM 1290 CA ARG A 81 -6.325 0.093 9.946 1.00 0.00 C ATOM 1291 C ARG A 81 -5.076 0.036 9.072 1.00 0.00 C ATOM 1292 O ARG A 81 -4.877 0.882 8.199 1.00 0.00 O ATOM 1293 CB ARG A 81 -7.290 -1.025 9.547 1.00 0.00 C ATOM 1294 CG ARG A 81 -7.850 -0.872 8.142 1.00 0.00 C ATOM 1295 CD ARG A 81 -8.612 -2.115 7.709 1.00 0.00 C ATOM 1296 NE ARG A 81 -10.006 -2.082 8.145 1.00 0.00 N ATOM 1297 CZ ARG A 81 -10.957 -1.378 7.535 1.00 0.00 C ATOM 1298 NH1 ARG A 81 -10.670 -0.650 6.464 1.00 0.00 N ATOM 1299 NH2 ARG A 81 -12.200 -1.405 7.997 1.00 0.00 N ATOM 0 HA ARG A 81 -6.028 -0.046 10.985 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.774 -1.982 9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.116 -1.052 10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.512 -0.007 8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.036 -0.681 7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.574 -2.204 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.125 -3.000 8.119 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.266 -2.630 8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.716 -0.627 6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.403 -0.113 6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.427 -1.965 8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.929 -0.866 7.530 1.00 0.00 H new ATOM 1313 N LYS A 82 -4.237 -0.965 9.313 1.00 0.00 N ATOM 1314 CA LYS A 82 -3.006 -1.133 8.549 1.00 0.00 C ATOM 1315 C LYS A 82 -2.737 -2.609 8.271 1.00 0.00 C ATOM 1316 O LYS A 82 -3.359 -3.486 8.872 1.00 0.00 O ATOM 1317 CB LYS A 82 -1.823 -0.521 9.302 1.00 0.00 C ATOM 1318 CG LYS A 82 -1.816 -0.840 10.789 1.00 0.00 C ATOM 1319 CD LYS A 82 -2.356 0.320 11.610 1.00 0.00 C ATOM 1320 CE LYS A 82 -2.459 -0.041 13.084 1.00 0.00 C ATOM 1321 NZ LYS A 82 -3.509 0.754 13.779 1.00 0.00 N ATOM 0 H LYS A 82 -4.387 -1.673 10.032 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.126 -0.617 7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.895 -0.881 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.841 0.561 9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.418 -1.730 10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.800 -1.071 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.705 1.186 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.339 0.606 11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.683 -1.103 13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.497 0.128 13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.547 0.478 14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.282 1.766 13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.432 0.574 13.335 1.00 0.00 H new ATOM 1335 N ARG A 83 -1.808 -2.876 7.360 1.00 0.00 N ATOM 1336 CA ARG A 83 -1.459 -4.246 7.005 1.00 0.00 C ATOM 1337 C ARG A 83 0.054 -4.420 6.933 1.00 0.00 C ATOM 1338 O ARG A 83 0.790 -3.455 6.731 1.00 0.00 O ATOM 1339 CB ARG A 83 -2.093 -4.625 5.666 1.00 0.00 C ATOM 1340 CG ARG A 83 -3.593 -4.856 5.747 1.00 0.00 C ATOM 1341 CD ARG A 83 -4.332 -4.129 4.633 1.00 0.00 C ATOM 1342 NE ARG A 83 -4.623 -5.010 3.504 1.00 0.00 N ATOM 1343 CZ ARG A 83 -5.536 -4.744 2.573 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -6.248 -3.625 2.632 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -5.737 -5.598 1.580 1.00 0.00 N ATOM 0 H ARG A 83 -1.283 -2.162 6.854 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.846 -4.906 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.894 -3.834 4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.614 -5.529 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.801 -5.924 5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.963 -4.514 6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.264 -3.720 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.732 -3.286 4.290 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.096 -5.879 3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.097 -2.964 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.946 -3.427 1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.192 -6.459 1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.437 -5.395 0.866 1.00 0.00 H new ATOM 1359 N LYS A 84 0.511 -5.656 7.101 1.00 0.00 N ATOM 1360 CA LYS A 84 1.937 -5.955 7.056 1.00 0.00 C ATOM 1361 C LYS A 84 2.303 -6.660 5.755 1.00 0.00 C ATOM 1362 O LYS A 84 1.730 -7.696 5.417 1.00 0.00 O ATOM 1363 CB LYS A 84 2.335 -6.824 8.251 1.00 0.00 C ATOM 1364 CG LYS A 84 1.694 -8.203 8.240 1.00 0.00 C ATOM 1365 CD LYS A 84 1.189 -8.597 9.619 1.00 0.00 C ATOM 1366 CE LYS A 84 2.326 -9.051 10.521 1.00 0.00 C ATOM 1367 NZ LYS A 84 1.934 -9.038 11.957 1.00 0.00 N ATOM 0 H LYS A 84 -0.085 -6.466 7.269 1.00 0.00 H new ATOM 0 HA LYS A 84 2.483 -5.013 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.419 -6.936 8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.057 -6.311 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.866 -8.214 7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.419 -8.939 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.677 -7.750 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.457 -9.399 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.634 -10.057 10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.188 -8.400 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.736 -9.354 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.664 -8.073 12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.128 -9.678 12.103 1.00 0.00 H new ATOM 1381 N LEU A 85 3.263 -6.095 5.030 1.00 0.00 N ATOM 1382 CA LEU A 85 3.706 -6.677 3.768 1.00 0.00 C ATOM 1383 C LEU A 85 5.088 -7.308 3.924 1.00 0.00 C ATOM 1384 O LEU A 85 6.033 -6.653 4.361 1.00 0.00 O ATOM 1385 CB LEU A 85 3.732 -5.618 2.658 1.00 0.00 C ATOM 1386 CG LEU A 85 2.912 -4.352 2.933 1.00 0.00 C ATOM 1387 CD1 LEU A 85 3.292 -3.249 1.959 1.00 0.00 C ATOM 1388 CD2 LEU A 85 1.422 -4.652 2.848 1.00 0.00 C ATOM 0 H LEU A 85 3.748 -5.237 5.294 1.00 0.00 H new ATOM 0 HA LEU A 85 2.995 -7.454 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.768 -5.328 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.367 -6.073 1.737 1.00 0.00 H new ATOM 0 HG LEU A 85 3.136 -4.009 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.700 -2.358 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.351 -3.015 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.098 -3.581 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.856 -3.742 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.181 -5.019 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.161 -5.410 3.587 1.00 0.00 H new ATOM 1400 N LEU A 86 5.195 -8.585 3.570 1.00 0.00 N ATOM 1401 CA LEU A 86 6.458 -9.309 3.678 1.00 0.00 C ATOM 1402 C LEU A 86 7.469 -8.824 2.641 1.00 0.00 C ATOM 1403 O LEU A 86 7.103 -8.203 1.643 1.00 0.00 O ATOM 1404 CB LEU A 86 6.221 -10.811 3.506 1.00 0.00 C ATOM 1405 CG LEU A 86 7.171 -11.714 4.294 1.00 0.00 C ATOM 1406 CD1 LEU A 86 6.856 -11.656 5.781 1.00 0.00 C ATOM 1407 CD2 LEU A 86 7.089 -13.145 3.786 1.00 0.00 C ATOM 0 H LEU A 86 4.421 -9.141 3.205 1.00 0.00 H new ATOM 0 HA LEU A 86 6.868 -9.117 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.198 -11.038 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.306 -11.057 2.448 1.00 0.00 H new ATOM 0 HG LEU A 86 8.189 -11.353 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.543 -12.305 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.967 -10.632 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.832 -11.989 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.771 -13.774 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.070 -13.515 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.366 -13.173 2.732 1.00 0.00 H new ATOM 1419 N LEU A 87 8.743 -9.118 2.888 1.00 0.00 N ATOM 1420 CA LEU A 87 9.816 -8.721 1.981 1.00 0.00 C ATOM 1421 C LEU A 87 10.989 -9.697 2.084 1.00 0.00 C ATOM 1422 O LEU A 87 10.832 -10.816 2.573 1.00 0.00 O ATOM 1423 CB LEU A 87 10.280 -7.296 2.301 1.00 0.00 C ATOM 1424 CG LEU A 87 10.193 -6.304 1.138 1.00 0.00 C ATOM 1425 CD1 LEU A 87 10.908 -6.844 -0.092 1.00 0.00 C ATOM 1426 CD2 LEU A 87 8.739 -5.991 0.817 1.00 0.00 C ATOM 0 H LEU A 87 9.058 -9.631 3.711 1.00 0.00 H new ATOM 0 HA LEU A 87 9.435 -8.744 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.682 -6.914 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.313 -7.337 2.646 1.00 0.00 H new ATOM 0 HG LEU A 87 10.690 -5.381 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.832 -6.121 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.958 -7.016 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.447 -7.783 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.693 -5.284 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.222 -6.910 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.259 -5.554 1.693 1.00 0.00 H new ATOM 1438 N HIS A 88 12.162 -9.270 1.623 1.00 0.00 N ATOM 1439 CA HIS A 88 13.351 -10.113 1.670 1.00 0.00 C ATOM 1440 C HIS A 88 14.157 -9.849 2.940 1.00 0.00 C ATOM 1441 O HIS A 88 14.142 -10.657 3.870 1.00 0.00 O ATOM 1442 CB HIS A 88 14.220 -9.878 0.432 1.00 0.00 C ATOM 1443 CG HIS A 88 15.300 -10.899 0.256 1.00 0.00 C ATOM 1444 ND1 HIS A 88 15.683 -11.384 -0.976 1.00 0.00 N ATOM 1445 CD2 HIS A 88 16.081 -11.529 1.166 1.00 0.00 C ATOM 1446 CE1 HIS A 88 16.652 -12.269 -0.818 1.00 0.00 C ATOM 1447 NE2 HIS A 88 16.911 -12.374 0.472 1.00 0.00 N ATOM 0 H HIS A 88 12.313 -8.348 1.214 1.00 0.00 H new ATOM 0 HA HIS A 88 13.029 -11.154 1.681 1.00 0.00 H new ATOM 0 HB2 HIS A 88 13.584 -9.878 -0.453 1.00 0.00 H new ATOM 0 HB3 HIS A 88 14.674 -8.889 0.499 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.055 -11.392 2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 88 17.147 -12.813 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.615 -12.985 0.887 1.00 0.00 H new ATOM 1456 N LYS A 89 14.855 -8.714 2.977 1.00 0.00 N ATOM 1457 CA LYS A 89 15.664 -8.345 4.139 1.00 0.00 C ATOM 1458 C LYS A 89 16.587 -7.170 3.816 1.00 0.00 C ATOM 1459 O LYS A 89 16.333 -6.036 4.219 1.00 0.00 O ATOM 1460 CB LYS A 89 16.497 -9.540 4.619 1.00 0.00 C ATOM 1461 CG LYS A 89 16.074 -10.067 5.981 1.00 0.00 C ATOM 1462 CD LYS A 89 17.002 -11.171 6.463 1.00 0.00 C ATOM 1463 CE LYS A 89 17.113 -11.187 7.980 1.00 0.00 C ATOM 1464 NZ LYS A 89 18.501 -10.904 8.438 1.00 0.00 N ATOM 0 H LYS A 89 14.877 -8.035 2.217 1.00 0.00 H new ATOM 0 HA LYS A 89 14.982 -8.043 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.419 -10.344 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.546 -9.248 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.071 -9.251 6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.054 -10.446 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.633 -12.135 6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.991 -11.032 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.433 -10.446 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.798 -12.160 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.535 -10.924 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.146 -11.625 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.793 -9.965 8.100 1.00 0.00 H new ATOM 1478 N ARG A 90 17.664 -7.458 3.090 1.00 0.00 N ATOM 1479 CA ARG A 90 18.638 -6.438 2.711 1.00 0.00 C ATOM 1480 C ARG A 90 17.968 -5.244 2.034 1.00 0.00 C ATOM 1481 O ARG A 90 18.221 -4.093 2.392 1.00 0.00 O ATOM 1482 CB ARG A 90 19.698 -7.039 1.782 1.00 0.00 C ATOM 1483 CG ARG A 90 21.114 -6.924 2.322 1.00 0.00 C ATOM 1484 CD ARG A 90 22.111 -6.630 1.212 1.00 0.00 C ATOM 1485 NE ARG A 90 22.386 -7.810 0.395 1.00 0.00 N ATOM 1486 CZ ARG A 90 23.099 -8.853 0.816 1.00 0.00 C ATOM 1487 NH1 ARG A 90 23.607 -8.866 2.042 1.00 0.00 N ATOM 1488 NH2 ARG A 90 23.301 -9.885 0.009 1.00 0.00 N ATOM 0 H ARG A 90 17.885 -8.394 2.751 1.00 0.00 H new ATOM 0 HA ARG A 90 19.116 -6.081 3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.467 -8.091 1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.645 -6.541 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 90 21.156 -6.132 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 90 21.390 -7.851 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 90 21.723 -5.833 0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 90 23.041 -6.266 1.648 1.00 0.00 H new ATOM 0 HE ARG A 90 22.010 -7.836 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 90 23.452 -8.075 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 90 24.152 -9.667 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 90 22.911 -9.880 -0.933 1.00 0.00 H new ATOM 0 HH22 ARG A 90 23.847 -10.684 0.330 1.00 0.00 H new ATOM 1502 N GLU A 91 17.124 -5.525 1.048 1.00 0.00 N ATOM 1503 CA GLU A 91 16.428 -4.475 0.308 1.00 0.00 C ATOM 1504 C GLU A 91 15.760 -3.471 1.246 1.00 0.00 C ATOM 1505 O GLU A 91 15.926 -2.261 1.092 1.00 0.00 O ATOM 1506 CB GLU A 91 15.382 -5.091 -0.622 1.00 0.00 C ATOM 1507 CG GLU A 91 15.972 -5.699 -1.885 1.00 0.00 C ATOM 1508 CD GLU A 91 14.917 -6.027 -2.922 1.00 0.00 C ATOM 1509 OE1 GLU A 91 14.389 -7.159 -2.895 1.00 0.00 O ATOM 1510 OE2 GLU A 91 14.619 -5.152 -3.763 1.00 0.00 O ATOM 0 H GLU A 91 16.904 -6.472 0.741 1.00 0.00 H new ATOM 0 HA GLU A 91 17.171 -3.940 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.835 -5.862 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.660 -4.324 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.695 -5.005 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.517 -6.607 -1.626 1.00 0.00 H new ATOM 1517 N ILE A 92 15.001 -3.975 2.214 1.00 0.00 N ATOM 1518 CA ILE A 92 14.308 -3.114 3.168 1.00 0.00 C ATOM 1519 C ILE A 92 15.279 -2.160 3.863 1.00 0.00 C ATOM 1520 O ILE A 92 15.051 -0.951 3.906 1.00 0.00 O ATOM 1521 CB ILE A 92 13.558 -3.944 4.233 1.00 0.00 C ATOM 1522 CG1 ILE A 92 12.373 -4.672 3.592 1.00 0.00 C ATOM 1523 CG2 ILE A 92 13.092 -3.059 5.386 1.00 0.00 C ATOM 1524 CD1 ILE A 92 11.150 -3.798 3.390 1.00 0.00 C ATOM 0 H ILE A 92 14.850 -4.973 2.359 1.00 0.00 H new ATOM 0 HA ILE A 92 13.584 -2.531 2.599 1.00 0.00 H new ATOM 0 HB ILE A 92 14.244 -4.686 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.684 -5.073 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.100 -5.522 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.567 -3.667 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 92 13.956 -2.587 5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 92 12.420 -2.289 5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.355 -4.386 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.811 -3.418 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.404 -2.961 2.739 1.00 0.00 H new ATOM 1536 N MET A 93 16.355 -2.713 4.413 1.00 0.00 N ATOM 1537 CA MET A 93 17.356 -1.915 5.117 1.00 0.00 C ATOM 1538 C MET A 93 17.880 -0.777 4.243 1.00 0.00 C ATOM 1539 O MET A 93 17.697 0.397 4.561 1.00 0.00 O ATOM 1540 CB MET A 93 18.517 -2.802 5.567 1.00 0.00 C ATOM 1541 CG MET A 93 19.140 -2.366 6.882 1.00 0.00 C ATOM 1542 SD MET A 93 20.929 -2.594 6.914 1.00 0.00 S ATOM 1543 CE MET A 93 21.425 -1.233 7.966 1.00 0.00 C ATOM 0 H MET A 93 16.558 -3.712 4.385 1.00 0.00 H new ATOM 0 HA MET A 93 16.876 -1.476 5.991 1.00 0.00 H new ATOM 0 HB2 MET A 93 18.163 -3.828 5.665 1.00 0.00 H new ATOM 0 HB3 MET A 93 19.285 -2.802 4.793 1.00 0.00 H new ATOM 0 HG2 MET A 93 18.909 -1.316 7.058 1.00 0.00 H new ATOM 0 HG3 MET A 93 18.691 -2.933 7.698 1.00 0.00 H new ATOM 0 HE1 MET A 93 22.509 -1.239 8.082 1.00 0.00 H new ATOM 0 HE2 MET A 93 21.114 -0.291 7.514 1.00 0.00 H new ATOM 0 HE3 MET A 93 20.955 -1.339 8.944 1.00 0.00 H new ATOM 1553 N ARG A 94 18.540 -1.134 3.145 1.00 0.00 N ATOM 1554 CA ARG A 94 19.100 -0.144 2.228 1.00 0.00 C ATOM 1555 C ARG A 94 18.067 0.915 1.847 1.00 0.00 C ATOM 1556 O ARG A 94 18.338 2.114 1.922 1.00 0.00 O ATOM 1557 CB ARG A 94 19.626 -0.831 0.966 1.00 0.00 C ATOM 1558 CG ARG A 94 21.092 -1.227 1.056 1.00 0.00 C ATOM 1559 CD ARG A 94 21.252 -2.697 1.409 1.00 0.00 C ATOM 1560 NE ARG A 94 20.596 -3.569 0.437 1.00 0.00 N ATOM 1561 CZ ARG A 94 21.048 -3.775 -0.798 1.00 0.00 C ATOM 1562 NH1 ARG A 94 22.157 -3.173 -1.215 1.00 0.00 N ATOM 1563 NH2 ARG A 94 20.392 -4.583 -1.619 1.00 0.00 N ATOM 0 H ARG A 94 18.701 -2.102 2.868 1.00 0.00 H new ATOM 0 HA ARG A 94 19.923 0.354 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.029 -1.722 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.490 -0.164 0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 94 21.584 -1.025 0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.590 -0.615 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 94 22.312 -2.944 1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 94 20.834 -2.879 2.399 1.00 0.00 H new ATOM 0 HE ARG A 94 19.742 -4.048 0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 94 22.666 -2.550 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 94 22.499 -3.334 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 94 19.540 -5.047 -1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 94 20.739 -4.740 -2.565 1.00 0.00 H new ATOM 1577 N LEU A 95 16.888 0.464 1.433 1.00 0.00 N ATOM 1578 CA LEU A 95 15.815 1.371 1.032 1.00 0.00 C ATOM 1579 C LEU A 95 15.503 2.389 2.127 1.00 0.00 C ATOM 1580 O LEU A 95 15.430 3.590 1.866 1.00 0.00 O ATOM 1581 CB LEU A 95 14.555 0.577 0.686 1.00 0.00 C ATOM 1582 CG LEU A 95 14.455 0.127 -0.772 1.00 0.00 C ATOM 1583 CD1 LEU A 95 13.348 -0.902 -0.937 1.00 0.00 C ATOM 1584 CD2 LEU A 95 14.215 1.322 -1.683 1.00 0.00 C ATOM 0 H LEU A 95 16.649 -0.525 1.366 1.00 0.00 H new ATOM 0 HA LEU A 95 16.154 1.916 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 95 14.512 -0.304 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.683 1.187 0.923 1.00 0.00 H new ATOM 0 HG LEU A 95 15.400 -0.337 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.291 -1.211 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.562 -1.770 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.396 -0.464 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.146 0.983 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 95 13.285 1.814 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 95 15.042 2.026 -1.586 1.00 0.00 H new ATOM 1596 N TYR A 96 15.310 1.904 3.347 1.00 0.00 N ATOM 1597 CA TYR A 96 14.994 2.772 4.479 1.00 0.00 C ATOM 1598 C TYR A 96 16.006 3.907 4.621 1.00 0.00 C ATOM 1599 O TYR A 96 15.641 5.082 4.600 1.00 0.00 O ATOM 1600 CB TYR A 96 14.951 1.956 5.772 1.00 0.00 C ATOM 1601 CG TYR A 96 14.426 2.731 6.960 1.00 0.00 C ATOM 1602 CD1 TYR A 96 15.186 3.734 7.550 1.00 0.00 C ATOM 1603 CD2 TYR A 96 13.174 2.458 7.492 1.00 0.00 C ATOM 1604 CE1 TYR A 96 14.710 4.443 8.636 1.00 0.00 C ATOM 1605 CE2 TYR A 96 12.690 3.163 8.578 1.00 0.00 C ATOM 1606 CZ TYR A 96 13.462 4.155 9.145 1.00 0.00 C ATOM 1607 OH TYR A 96 12.985 4.858 10.227 1.00 0.00 O ATOM 0 H TYR A 96 15.366 0.913 3.580 1.00 0.00 H new ATOM 0 HA TYR A 96 14.016 3.214 4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.325 1.077 5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 96 15.955 1.596 5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 96 16.164 3.963 7.153 1.00 0.00 H new ATOM 0 HD2 TYR A 96 12.567 1.681 7.050 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.313 5.219 9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.713 2.938 8.980 1.00 0.00 H new ATOM 0 HH TYR A 96 12.091 4.532 10.460 1.00 0.00 H new ATOM 1617 N GLY A 97 17.273 3.548 4.782 1.00 0.00 N ATOM 1618 CA GLY A 97 18.315 4.546 4.946 1.00 0.00 C ATOM 1619 C GLY A 97 18.358 5.573 3.828 1.00 0.00 C ATOM 1620 O GLY A 97 18.043 6.743 4.040 1.00 0.00 O ATOM 0 H GLY A 97 17.599 2.582 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.166 5.061 5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 97 19.281 4.044 5.004 1.00 0.00 H new ATOM 1624 N LYS A 98 18.772 5.141 2.643 1.00 0.00 N ATOM 1625 CA LYS A 98 18.887 6.031 1.489 1.00 0.00 C ATOM 1626 C LYS A 98 17.608 6.829 1.230 1.00 0.00 C ATOM 1627 O LYS A 98 17.616 8.058 1.276 1.00 0.00 O ATOM 1628 CB LYS A 98 19.252 5.226 0.240 1.00 0.00 C ATOM 1629 CG LYS A 98 20.243 5.933 -0.670 1.00 0.00 C ATOM 1630 CD LYS A 98 19.548 6.923 -1.591 1.00 0.00 C ATOM 1631 CE LYS A 98 20.533 7.593 -2.536 1.00 0.00 C ATOM 1632 NZ LYS A 98 19.894 7.973 -3.826 1.00 0.00 N ATOM 0 H LYS A 98 19.036 4.174 2.453 1.00 0.00 H new ATOM 0 HA LYS A 98 19.676 6.747 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 98 19.671 4.267 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 98 18.343 5.012 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 98 20.984 6.456 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 98 20.781 5.196 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 98 18.781 6.407 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 98 19.041 7.682 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 98 20.946 8.482 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 98 21.367 6.918 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 20.575 8.501 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 19.598 7.115 -4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 19.062 8.569 -3.639 1.00 0.00 H new ATOM 1646 N VAL A 99 16.524 6.130 0.929 1.00 0.00 N ATOM 1647 CA VAL A 99 15.247 6.776 0.627 1.00 0.00 C ATOM 1648 C VAL A 99 14.837 7.821 1.671 1.00 0.00 C ATOM 1649 O VAL A 99 14.826 9.019 1.392 1.00 0.00 O ATOM 1650 CB VAL A 99 14.123 5.724 0.505 1.00 0.00 C ATOM 1651 CG1 VAL A 99 12.805 6.374 0.103 1.00 0.00 C ATOM 1652 CG2 VAL A 99 14.512 4.640 -0.492 1.00 0.00 C ATOM 0 H VAL A 99 16.499 5.111 0.886 1.00 0.00 H new ATOM 0 HA VAL A 99 15.390 7.294 -0.321 1.00 0.00 H new ATOM 0 HB VAL A 99 13.985 5.262 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.032 5.610 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.516 7.107 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.923 6.871 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.708 3.907 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.683 5.090 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.423 4.146 -0.155 1.00 0.00 H new ATOM 1662 N GLN A 100 14.465 7.359 2.856 1.00 0.00 N ATOM 1663 CA GLN A 100 14.006 8.250 3.922 1.00 0.00 C ATOM 1664 C GLN A 100 15.014 9.344 4.286 1.00 0.00 C ATOM 1665 O GLN A 100 14.682 10.530 4.273 1.00 0.00 O ATOM 1666 CB GLN A 100 13.661 7.431 5.168 1.00 0.00 C ATOM 1667 CG GLN A 100 12.193 7.507 5.558 1.00 0.00 C ATOM 1668 CD GLN A 100 11.982 8.140 6.920 1.00 0.00 C ATOM 1669 OE1 GLN A 100 11.496 9.266 7.025 1.00 0.00 O ATOM 1670 NE2 GLN A 100 12.348 7.416 7.972 1.00 0.00 N ATOM 0 H GLN A 100 14.471 6.371 3.108 1.00 0.00 H new ATOM 0 HA GLN A 100 13.122 8.759 3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.929 6.389 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 100 14.269 7.781 6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.651 8.081 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.769 6.503 5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.747 6.487 7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.230 7.789 8.914 1.00 0.00 H new ATOM 1679 N GLU A 101 16.222 8.943 4.660 1.00 0.00 N ATOM 1680 CA GLU A 101 17.250 9.894 5.087 1.00 0.00 C ATOM 1681 C GLU A 101 17.621 10.922 4.019 1.00 0.00 C ATOM 1682 O GLU A 101 17.448 12.124 4.225 1.00 0.00 O ATOM 1683 CB GLU A 101 18.505 9.147 5.542 1.00 0.00 C ATOM 1684 CG GLU A 101 18.230 8.085 6.594 1.00 0.00 C ATOM 1685 CD GLU A 101 19.499 7.438 7.115 1.00 0.00 C ATOM 1686 OE1 GLU A 101 20.311 6.972 6.288 1.00 0.00 O ATOM 1687 OE2 GLU A 101 19.682 7.399 8.349 1.00 0.00 O ATOM 0 H GLU A 101 16.518 7.967 4.678 1.00 0.00 H new ATOM 0 HA GLU A 101 16.817 10.451 5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.973 8.677 4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 101 19.221 9.865 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.688 8.535 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 101 17.583 7.317 6.170 1.00 0.00 H new ATOM 1694 N LYS A 102 18.155 10.463 2.896 1.00 0.00 N ATOM 1695 CA LYS A 102 18.574 11.367 1.826 1.00 0.00 C ATOM 1696 C LYS A 102 17.477 12.373 1.495 1.00 0.00 C ATOM 1697 O LYS A 102 17.728 13.577 1.435 1.00 0.00 O ATOM 1698 CB LYS A 102 18.954 10.574 0.573 1.00 0.00 C ATOM 1699 CG LYS A 102 20.205 11.095 -0.117 1.00 0.00 C ATOM 1700 CD LYS A 102 19.902 12.310 -0.980 1.00 0.00 C ATOM 1701 CE LYS A 102 20.029 11.988 -2.460 1.00 0.00 C ATOM 1702 NZ LYS A 102 18.990 11.019 -2.907 1.00 0.00 N ATOM 0 H LYS A 102 18.309 9.474 2.699 1.00 0.00 H new ATOM 0 HA LYS A 102 19.448 11.917 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 102 19.107 9.530 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.122 10.601 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.952 11.357 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 102 20.636 10.307 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 102 18.893 12.665 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 102 20.585 13.120 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.943 12.907 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.019 11.577 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.141 10.786 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.055 10.152 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.047 11.442 -2.788 1.00 0.00 H new ATOM 1716 N GLY A 103 16.263 11.881 1.292 1.00 0.00 N ATOM 1717 CA GLY A 103 15.157 12.765 0.982 1.00 0.00 C ATOM 1718 C GLY A 103 14.196 12.169 -0.021 1.00 0.00 C ATOM 1719 O GLY A 103 13.932 12.765 -1.066 1.00 0.00 O ATOM 0 H GLY A 103 16.024 10.890 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.618 13.001 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.547 13.705 0.591 1.00 0.00 H new ATOM 1723 N TYR A 104 13.666 10.993 0.292 1.00 0.00 N ATOM 1724 CA TYR A 104 12.722 10.329 -0.604 1.00 0.00 C ATOM 1725 C TYR A 104 11.430 9.974 0.122 1.00 0.00 C ATOM 1726 O TYR A 104 11.366 9.996 1.351 1.00 0.00 O ATOM 1727 CB TYR A 104 13.340 9.068 -1.211 1.00 0.00 C ATOM 1728 CG TYR A 104 14.022 9.299 -2.540 1.00 0.00 C ATOM 1729 CD1 TYR A 104 15.363 9.660 -2.602 1.00 0.00 C ATOM 1730 CD2 TYR A 104 13.325 9.154 -3.733 1.00 0.00 C ATOM 1731 CE1 TYR A 104 15.989 9.869 -3.816 1.00 0.00 C ATOM 1732 CE2 TYR A 104 13.946 9.360 -4.951 1.00 0.00 C ATOM 1733 CZ TYR A 104 15.277 9.717 -4.986 1.00 0.00 C ATOM 1734 OH TYR A 104 15.898 9.923 -6.197 1.00 0.00 O ATOM 0 H TYR A 104 13.870 10.482 1.151 1.00 0.00 H new ATOM 0 HA TYR A 104 12.488 11.028 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 104 14.065 8.656 -0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.559 8.318 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.924 9.779 -1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.282 8.876 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 104 17.031 10.150 -3.848 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.391 9.242 -5.870 1.00 0.00 H new ATOM 0 HH TYR A 104 16.285 9.080 -6.514 1.00 0.00 H new ATOM 1744 N THR A 105 10.402 9.646 -0.653 1.00 0.00 N ATOM 1745 CA THR A 105 9.103 9.285 -0.096 1.00 0.00 C ATOM 1746 C THR A 105 8.569 8.009 -0.740 1.00 0.00 C ATOM 1747 O THR A 105 8.844 7.727 -1.907 1.00 0.00 O ATOM 1748 CB THR A 105 8.106 10.427 -0.297 1.00 0.00 C ATOM 1749 OG1 THR A 105 8.694 11.671 0.039 1.00 0.00 O ATOM 1750 CG2 THR A 105 6.847 10.276 0.530 1.00 0.00 C ATOM 0 H THR A 105 10.443 9.623 -1.672 1.00 0.00 H new ATOM 0 HA THR A 105 9.230 9.105 0.971 1.00 0.00 H new ATOM 0 HB THR A 105 7.834 10.390 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.041 12.389 -0.098 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.183 11.119 0.340 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.342 9.349 0.259 1.00 0.00 H new ATOM 0 HG23 THR A 105 7.108 10.251 1.588 1.00 0.00 H new ATOM 1758 N ILE A 106 7.804 7.240 0.030 1.00 0.00 N ATOM 1759 CA ILE A 106 7.231 5.991 -0.463 1.00 0.00 C ATOM 1760 C ILE A 106 5.714 5.977 -0.304 1.00 0.00 C ATOM 1761 O ILE A 106 5.190 6.196 0.788 1.00 0.00 O ATOM 1762 CB ILE A 106 7.821 4.769 0.270 1.00 0.00 C ATOM 1763 CG1 ILE A 106 9.327 4.943 0.478 1.00 0.00 C ATOM 1764 CG2 ILE A 106 7.532 3.494 -0.510 1.00 0.00 C ATOM 1765 CD1 ILE A 106 9.696 5.390 1.876 1.00 0.00 C ATOM 0 H ILE A 106 7.567 7.460 0.997 1.00 0.00 H new ATOM 0 HA ILE A 106 7.484 5.929 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 106 7.348 4.690 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.827 3.998 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 106 9.703 5.673 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.954 2.640 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.454 3.364 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.980 3.564 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 106 10.779 5.493 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 106 9.225 6.350 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 106 9.351 4.650 2.598 1.00 0.00 H new ATOM 1777 N ILE A 107 5.015 5.716 -1.404 1.00 0.00 N ATOM 1778 CA ILE A 107 3.557 5.670 -1.394 1.00 0.00 C ATOM 1779 C ILE A 107 3.049 4.436 -2.140 1.00 0.00 C ATOM 1780 O ILE A 107 3.726 3.918 -3.028 1.00 0.00 O ATOM 1781 CB ILE A 107 2.937 6.936 -2.028 1.00 0.00 C ATOM 1782 CG1 ILE A 107 3.965 7.677 -2.890 1.00 0.00 C ATOM 1783 CG2 ILE A 107 2.388 7.854 -0.944 1.00 0.00 C ATOM 1784 CD1 ILE A 107 3.421 8.933 -3.537 1.00 0.00 C ATOM 0 H ILE A 107 5.435 5.533 -2.315 1.00 0.00 H new ATOM 0 HA ILE A 107 3.250 5.620 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 107 2.115 6.627 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.823 7.939 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.326 7.005 -3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.954 8.742 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.621 7.328 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.196 8.150 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.204 9.404 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 107 2.581 8.675 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 107 3.086 9.625 -2.764 1.00 0.00 H new ATOM 1796 N PRO A 108 1.847 3.943 -1.787 1.00 0.00 N ATOM 1797 CA PRO A 108 1.254 2.772 -2.422 1.00 0.00 C ATOM 1798 C PRO A 108 0.512 3.126 -3.705 1.00 0.00 C ATOM 1799 O PRO A 108 0.068 4.260 -3.883 1.00 0.00 O ATOM 1800 CB PRO A 108 0.272 2.241 -1.365 1.00 0.00 C ATOM 1801 CG PRO A 108 0.232 3.260 -0.264 1.00 0.00 C ATOM 1802 CD PRO A 108 0.969 4.480 -0.748 1.00 0.00 C ATOM 0 HA PRO A 108 2.011 2.046 -2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.719 2.097 -1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.598 1.273 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -0.798 3.510 -0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.696 2.866 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.287 5.232 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.535 4.954 0.054 1.00 0.00 H new ATOM 1810 N LEU A 109 0.375 2.148 -4.597 1.00 0.00 N ATOM 1811 CA LEU A 109 -0.318 2.362 -5.861 1.00 0.00 C ATOM 1812 C LEU A 109 -1.516 1.418 -5.997 1.00 0.00 C ATOM 1813 O LEU A 109 -2.611 1.730 -5.529 1.00 0.00 O ATOM 1814 CB LEU A 109 0.651 2.187 -7.038 1.00 0.00 C ATOM 1815 CG LEU A 109 1.234 3.485 -7.606 1.00 0.00 C ATOM 1816 CD1 LEU A 109 0.218 4.179 -8.498 1.00 0.00 C ATOM 1817 CD2 LEU A 109 1.682 4.413 -6.486 1.00 0.00 C ATOM 0 H LEU A 109 0.734 1.202 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.696 3.384 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.474 1.548 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.132 1.660 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 109 2.107 3.231 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.649 5.099 -8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.051 3.521 -9.324 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.674 4.416 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.092 5.328 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.829 4.659 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.446 3.918 -5.887 1.00 0.00 H new ATOM 1829 N LYS A 110 -1.312 0.266 -6.636 1.00 0.00 N ATOM 1830 CA LYS A 110 -2.392 -0.699 -6.826 1.00 0.00 C ATOM 1831 C LYS A 110 -2.030 -2.074 -6.275 1.00 0.00 C ATOM 1832 O LYS A 110 -1.029 -2.677 -6.663 1.00 0.00 O ATOM 1833 CB LYS A 110 -2.741 -0.813 -8.310 1.00 0.00 C ATOM 1834 CG LYS A 110 -1.593 -1.320 -9.168 1.00 0.00 C ATOM 1835 CD LYS A 110 -1.714 -0.835 -10.604 1.00 0.00 C ATOM 1836 CE LYS A 110 -1.003 0.495 -10.803 1.00 0.00 C ATOM 1837 NZ LYS A 110 0.348 0.318 -11.405 1.00 0.00 N ATOM 0 H LYS A 110 -0.415 -0.019 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.257 -0.334 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.593 -1.484 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.054 0.164 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.646 -0.982 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.578 -2.410 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.291 -1.580 -11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.767 -0.729 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.606 1.136 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.909 1.004 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.799 1.247 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.932 -0.273 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.257 -0.144 -12.332 1.00 0.00 H new ATOM 1851 N LEU A 111 -2.885 -2.571 -5.396 1.00 0.00 N ATOM 1852 CA LEU A 111 -2.717 -3.885 -4.806 1.00 0.00 C ATOM 1853 C LEU A 111 -3.980 -4.707 -5.049 1.00 0.00 C ATOM 1854 O LEU A 111 -5.077 -4.297 -4.697 1.00 0.00 O ATOM 1855 CB LEU A 111 -2.422 -3.775 -3.305 1.00 0.00 C ATOM 1856 CG LEU A 111 -3.640 -3.532 -2.408 1.00 0.00 C ATOM 1857 CD1 LEU A 111 -4.181 -4.850 -1.874 1.00 0.00 C ATOM 1858 CD2 LEU A 111 -3.280 -2.597 -1.263 1.00 0.00 C ATOM 0 H LEU A 111 -3.714 -2.073 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.867 -4.382 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.932 -4.693 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.712 -2.963 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.419 -3.059 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.046 -4.658 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.477 -5.486 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.408 -5.352 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.157 -2.435 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.484 -3.042 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.941 -1.643 -1.666 1.00 0.00 H new ATOM 1870 N TYR A 112 -3.809 -5.860 -5.662 1.00 0.00 N ATOM 1871 CA TYR A 112 -4.924 -6.753 -5.971 1.00 0.00 C ATOM 1872 C TYR A 112 -4.563 -8.178 -5.590 1.00 0.00 C ATOM 1873 O TYR A 112 -3.380 -8.520 -5.565 1.00 0.00 O ATOM 1874 CB TYR A 112 -5.247 -6.683 -7.463 1.00 0.00 C ATOM 1875 CG TYR A 112 -4.035 -6.856 -8.350 1.00 0.00 C ATOM 1876 CD1 TYR A 112 -3.363 -8.070 -8.414 1.00 0.00 C ATOM 1877 CD2 TYR A 112 -3.562 -5.803 -9.124 1.00 0.00 C ATOM 1878 CE1 TYR A 112 -2.253 -8.230 -9.223 1.00 0.00 C ATOM 1879 CE2 TYR A 112 -2.454 -5.956 -9.935 1.00 0.00 C ATOM 1880 CZ TYR A 112 -1.803 -7.170 -9.981 1.00 0.00 C ATOM 1881 OH TYR A 112 -0.700 -7.325 -10.788 1.00 0.00 O ATOM 0 H TYR A 112 -2.899 -6.210 -5.962 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.799 -6.441 -5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.978 -7.454 -7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -5.713 -5.722 -7.681 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.713 -8.903 -7.822 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.069 -4.850 -9.091 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.741 -9.180 -9.261 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.099 -5.128 -10.530 1.00 0.00 H new ATOM 0 HH TYR A 112 -0.516 -6.484 -11.255 1.00 0.00 H new ATOM 1891 N TRP A 113 -5.550 -9.024 -5.291 1.00 0.00 N ATOM 1892 CA TRP A 113 -5.222 -10.399 -4.928 1.00 0.00 C ATOM 1893 C TRP A 113 -5.653 -11.391 -6.000 1.00 0.00 C ATOM 1894 O TRP A 113 -6.818 -11.469 -6.385 1.00 0.00 O ATOM 1895 CB TRP A 113 -5.761 -10.789 -3.537 1.00 0.00 C ATOM 1896 CG TRP A 113 -7.148 -10.344 -3.273 1.00 0.00 C ATOM 1897 CD1 TRP A 113 -8.134 -10.332 -4.169 1.00 0.00 C ATOM 1898 CD2 TRP A 113 -7.699 -9.870 -2.042 1.00 0.00 C ATOM 1899 NE1 TRP A 113 -9.292 -9.847 -3.606 1.00 0.00 N ATOM 1900 CE2 TRP A 113 -9.048 -9.561 -2.289 1.00 0.00 C ATOM 1901 CE3 TRP A 113 -7.185 -9.669 -0.761 1.00 0.00 C ATOM 1902 CZ2 TRP A 113 -9.889 -9.062 -1.299 1.00 0.00 C ATOM 1903 CZ3 TRP A 113 -8.018 -9.178 0.221 1.00 0.00 C ATOM 1904 CH2 TRP A 113 -9.357 -8.878 -0.052 1.00 0.00 C ATOM 0 H TRP A 113 -6.544 -8.793 -5.292 1.00 0.00 H new ATOM 0 HA TRP A 113 -4.135 -10.447 -4.864 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.714 -11.873 -3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -5.106 -10.367 -2.775 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -8.038 -10.658 -5.194 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -10.182 -9.722 -4.088 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.152 -9.894 -0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -10.923 -8.829 -1.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.631 -9.022 1.217 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.984 -8.493 0.739 1.00 0.00 H new ATOM 1915 N LYS A 114 -4.675 -12.159 -6.467 1.00 0.00 N ATOM 1916 CA LYS A 114 -4.896 -13.174 -7.482 1.00 0.00 C ATOM 1917 C LYS A 114 -4.679 -14.541 -6.863 1.00 0.00 C ATOM 1918 O LYS A 114 -3.865 -14.691 -5.952 1.00 0.00 O ATOM 1919 CB LYS A 114 -3.944 -12.970 -8.665 1.00 0.00 C ATOM 1920 CG LYS A 114 -4.058 -14.048 -9.733 1.00 0.00 C ATOM 1921 CD LYS A 114 -3.104 -13.788 -10.889 1.00 0.00 C ATOM 1922 CE LYS A 114 -3.698 -14.243 -12.212 1.00 0.00 C ATOM 1923 NZ LYS A 114 -2.661 -14.799 -13.124 1.00 0.00 N ATOM 0 H LYS A 114 -3.708 -12.093 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.917 -13.097 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.144 -11.999 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.919 -12.944 -8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.842 -15.022 -9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.082 -14.086 -10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.872 -12.724 -10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.164 -14.311 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.461 -14.999 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.194 -13.401 -12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.106 -15.098 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.946 -14.070 -13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.205 -15.618 -12.673 1.00 0.00 H new ATOM 1937 N ASN A 115 -5.420 -15.533 -7.328 1.00 0.00 N ATOM 1938 CA ASN A 115 -5.308 -16.876 -6.777 1.00 0.00 C ATOM 1939 C ASN A 115 -5.958 -16.921 -5.398 1.00 0.00 C ATOM 1940 O ASN A 115 -6.860 -17.723 -5.157 1.00 0.00 O ATOM 1941 CB ASN A 115 -3.842 -17.315 -6.692 1.00 0.00 C ATOM 1942 CG ASN A 115 -3.584 -18.620 -7.421 1.00 0.00 C ATOM 1943 OD1 ASN A 115 -3.467 -18.646 -8.646 1.00 0.00 O ATOM 1944 ND2 ASN A 115 -3.495 -19.711 -6.669 1.00 0.00 N ATOM 0 H ASN A 115 -6.102 -15.437 -8.081 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.826 -17.569 -7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.207 -16.535 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.559 -17.425 -5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.323 -20.618 -7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.599 -19.642 -5.657 1.00 0.00 H new ATOM 1951 N ASN A 116 -5.509 -16.045 -4.491 1.00 0.00 N ATOM 1952 CA ASN A 116 -6.082 -15.999 -3.150 1.00 0.00 C ATOM 1953 C ASN A 116 -5.469 -14.911 -2.257 1.00 0.00 C ATOM 1954 O ASN A 116 -5.971 -14.683 -1.156 1.00 0.00 O ATOM 1955 CB ASN A 116 -5.934 -17.360 -2.465 1.00 0.00 C ATOM 1956 CG ASN A 116 -7.113 -17.688 -1.569 1.00 0.00 C ATOM 1957 OD1 ASN A 116 -7.996 -16.855 -1.358 1.00 0.00 O ATOM 1958 ND2 ASN A 116 -7.133 -18.903 -1.037 1.00 0.00 N ATOM 0 H ASN A 116 -4.763 -15.371 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 116 -7.135 -15.748 -3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -5.831 -18.136 -3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.018 -17.368 -1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.901 -19.179 -0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -6.380 -19.561 -1.239 1.00 0.00 H new ATOM 1965 N LYS A 117 -4.395 -14.240 -2.692 1.00 0.00 N ATOM 1966 CA LYS A 117 -3.795 -13.206 -1.842 1.00 0.00 C ATOM 1967 C LYS A 117 -3.387 -11.953 -2.607 1.00 0.00 C ATOM 1968 O LYS A 117 -3.284 -11.957 -3.832 1.00 0.00 O ATOM 1969 CB LYS A 117 -2.605 -13.767 -1.063 1.00 0.00 C ATOM 1970 CG LYS A 117 -2.989 -14.389 0.271 1.00 0.00 C ATOM 1971 CD LYS A 117 -1.779 -14.976 0.980 1.00 0.00 C ATOM 1972 CE LYS A 117 -1.715 -16.486 0.814 1.00 0.00 C ATOM 1973 NZ LYS A 117 -1.015 -17.140 1.954 1.00 0.00 N ATOM 0 H LYS A 117 -3.938 -14.386 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.574 -12.901 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.103 -14.518 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.886 -12.967 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.453 -13.634 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.732 -15.170 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -0.869 -14.526 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.821 -14.727 2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.726 -16.885 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -1.200 -16.728 -0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.992 -18.169 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.042 -16.778 2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.521 -16.931 2.838 1.00 0.00 H new ATOM 1987 N VAL A 118 -3.222 -10.864 -1.846 1.00 0.00 N ATOM 1988 CA VAL A 118 -2.902 -9.544 -2.403 1.00 0.00 C ATOM 1989 C VAL A 118 -1.414 -9.229 -2.501 1.00 0.00 C ATOM 1990 O VAL A 118 -0.629 -9.505 -1.594 1.00 0.00 O ATOM 1991 CB VAL A 118 -3.545 -8.398 -1.574 1.00 0.00 C ATOM 1992 CG1 VAL A 118 -4.826 -7.899 -2.222 1.00 0.00 C ATOM 1993 CG2 VAL A 118 -3.796 -8.824 -0.133 1.00 0.00 C ATOM 0 H VAL A 118 -3.306 -10.873 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.311 -9.598 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.833 -7.572 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.251 -7.098 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -4.606 -7.522 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -5.541 -8.719 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -4.246 -7.998 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.471 -9.680 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.851 -9.099 0.335 1.00 0.00 H new ATOM 2003 N LYS A 119 -1.081 -8.556 -3.597 1.00 0.00 N ATOM 2004 CA LYS A 119 0.256 -8.070 -3.865 1.00 0.00 C ATOM 2005 C LYS A 119 0.146 -6.570 -4.140 1.00 0.00 C ATOM 2006 O LYS A 119 -0.635 -6.148 -4.995 1.00 0.00 O ATOM 2007 CB LYS A 119 0.873 -8.798 -5.064 1.00 0.00 C ATOM 2008 CG LYS A 119 2.070 -9.661 -4.699 1.00 0.00 C ATOM 2009 CD LYS A 119 3.057 -9.762 -5.851 1.00 0.00 C ATOM 2010 CE LYS A 119 2.940 -11.095 -6.573 1.00 0.00 C ATOM 2011 NZ LYS A 119 4.273 -11.659 -6.922 1.00 0.00 N ATOM 0 H LYS A 119 -1.750 -8.332 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 119 0.907 -8.257 -3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.112 -9.424 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 119 1.179 -8.062 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.570 -9.241 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.729 -10.659 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.879 -8.949 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.072 -9.640 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.401 -11.802 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.352 -10.965 -7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.242 -12.054 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.990 -10.907 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.520 -12.410 -6.247 1.00 0.00 H new ATOM 2025 N VAL A 120 0.887 -5.763 -3.393 1.00 0.00 N ATOM 2026 CA VAL A 120 0.823 -4.311 -3.552 1.00 0.00 C ATOM 2027 C VAL A 120 2.111 -3.754 -4.144 1.00 0.00 C ATOM 2028 O VAL A 120 3.208 -4.089 -3.697 1.00 0.00 O ATOM 2029 CB VAL A 120 0.552 -3.615 -2.202 1.00 0.00 C ATOM 2030 CG1 VAL A 120 1.638 -3.963 -1.194 1.00 0.00 C ATOM 2031 CG2 VAL A 120 0.445 -2.106 -2.381 1.00 0.00 C ATOM 0 H VAL A 120 1.536 -6.083 -2.675 1.00 0.00 H new ATOM 0 HA VAL A 120 0.000 -4.108 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.402 -3.977 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.430 -3.463 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.657 -5.042 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 120 2.605 -3.634 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.254 -1.638 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.378 -1.721 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -0.374 -1.878 -3.063 1.00 0.00 H new ATOM 2041 N LEU A 121 1.968 -2.890 -5.142 1.00 0.00 N ATOM 2042 CA LEU A 121 3.117 -2.269 -5.784 1.00 0.00 C ATOM 2043 C LEU A 121 3.245 -0.816 -5.341 1.00 0.00 C ATOM 2044 O LEU A 121 2.301 -0.036 -5.469 1.00 0.00 O ATOM 2045 CB LEU A 121 2.983 -2.346 -7.305 1.00 0.00 C ATOM 2046 CG LEU A 121 4.274 -2.081 -8.080 1.00 0.00 C ATOM 2047 CD1 LEU A 121 4.943 -3.390 -8.470 1.00 0.00 C ATOM 2048 CD2 LEU A 121 3.992 -1.236 -9.315 1.00 0.00 C ATOM 0 H LEU A 121 1.066 -2.604 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 121 4.016 -2.809 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.613 -3.336 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.230 -1.626 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 121 4.955 -1.528 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 121 5.860 -3.180 -9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 121 5.182 -3.959 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.268 -3.971 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 121 4.922 -1.058 -9.854 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.292 -1.762 -9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.559 -0.282 -9.012 1.00 0.00 H new ATOM 2060 N ILE A 122 4.410 -0.456 -4.815 1.00 0.00 N ATOM 2061 CA ILE A 122 4.645 0.907 -4.351 1.00 0.00 C ATOM 2062 C ILE A 122 5.717 1.598 -5.186 1.00 0.00 C ATOM 2063 O ILE A 122 6.588 0.944 -5.760 1.00 0.00 O ATOM 2064 CB ILE A 122 5.063 0.934 -2.866 1.00 0.00 C ATOM 2065 CG1 ILE A 122 6.399 0.217 -2.669 1.00 0.00 C ATOM 2066 CG2 ILE A 122 3.984 0.298 -2.001 1.00 0.00 C ATOM 2067 CD1 ILE A 122 6.972 0.381 -1.278 1.00 0.00 C ATOM 0 H ILE A 122 5.204 -1.086 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 122 3.703 1.444 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 122 5.185 1.973 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.267 -0.845 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.117 0.596 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.293 0.324 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.052 0.850 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.834 -0.737 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.920 -0.153 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.137 1.439 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.273 -0.025 -0.546 1.00 0.00 H new ATOM 2079 N ALA A 123 5.647 2.923 -5.248 1.00 0.00 N ATOM 2080 CA ALA A 123 6.612 3.702 -6.014 1.00 0.00 C ATOM 2081 C ALA A 123 7.232 4.803 -5.162 1.00 0.00 C ATOM 2082 O ALA A 123 6.538 5.483 -4.406 1.00 0.00 O ATOM 2083 CB ALA A 123 5.950 4.296 -7.247 1.00 0.00 C ATOM 0 H ALA A 123 4.933 3.479 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 123 7.411 3.032 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 123 6.682 4.875 -7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 123 5.563 3.493 -7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 123 5.130 4.946 -6.942 1.00 0.00 H new ATOM 2089 N LEU A 124 8.542 4.975 -5.293 1.00 0.00 N ATOM 2090 CA LEU A 124 9.260 5.996 -4.541 1.00 0.00 C ATOM 2091 C LEU A 124 9.685 7.137 -5.458 1.00 0.00 C ATOM 2092 O LEU A 124 10.274 6.909 -6.514 1.00 0.00 O ATOM 2093 CB LEU A 124 10.488 5.387 -3.860 1.00 0.00 C ATOM 2094 CG LEU A 124 10.183 4.295 -2.831 1.00 0.00 C ATOM 2095 CD1 LEU A 124 9.835 2.985 -3.524 1.00 0.00 C ATOM 2096 CD2 LEU A 124 11.364 4.107 -1.891 1.00 0.00 C ATOM 0 H LEU A 124 9.129 4.419 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 124 8.592 6.393 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 124 11.141 4.970 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 124 11.044 6.184 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 124 9.320 4.608 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.622 2.223 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 124 8.958 3.129 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.676 2.664 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 124 11.131 3.327 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 124 12.244 3.817 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.565 5.042 -1.367 1.00 0.00 H new ATOM 2108 N ALA A 125 9.377 8.367 -5.056 1.00 0.00 N ATOM 2109 CA ALA A 125 9.724 9.534 -5.856 1.00 0.00 C ATOM 2110 C ALA A 125 10.458 10.581 -5.025 1.00 0.00 C ATOM 2111 O ALA A 125 10.575 10.454 -3.806 1.00 0.00 O ATOM 2112 CB ALA A 125 8.472 10.134 -6.477 1.00 0.00 C ATOM 0 H ALA A 125 8.890 8.579 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 125 10.396 9.210 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.743 11.006 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.992 9.393 -7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.782 10.434 -5.688 1.00 0.00 H new ATOM 2118 N LYS A 126 10.951 11.618 -5.697 1.00 0.00 N ATOM 2119 CA LYS A 126 11.676 12.691 -5.028 1.00 0.00 C ATOM 2120 C LYS A 126 10.716 13.746 -4.489 1.00 0.00 C ATOM 2121 O LYS A 126 9.758 14.130 -5.160 1.00 0.00 O ATOM 2122 CB LYS A 126 12.671 13.339 -5.993 1.00 0.00 C ATOM 2123 CG LYS A 126 14.070 12.749 -5.911 1.00 0.00 C ATOM 2124 CD LYS A 126 14.643 12.475 -7.293 1.00 0.00 C ATOM 2125 CE LYS A 126 14.956 13.765 -8.035 1.00 0.00 C ATOM 2126 NZ LYS A 126 16.420 14.019 -8.115 1.00 0.00 N ATOM 0 H LYS A 126 10.861 11.737 -6.706 1.00 0.00 H new ATOM 0 HA LYS A 126 12.220 12.258 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.299 13.231 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.723 14.408 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 126 14.725 13.436 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 126 14.042 11.822 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 126 15.551 11.879 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 126 13.932 11.885 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 126 14.541 13.714 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 126 14.470 14.600 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 16.591 14.907 -8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 16.813 14.093 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 16.881 13.234 -8.618 1.00 0.00 H new ATOM 2140 N GLY A 127 10.980 14.212 -3.272 1.00 0.00 N ATOM 2141 CA GLY A 127 10.131 15.220 -2.664 1.00 0.00 C ATOM 2142 C GLY A 127 10.365 16.601 -3.242 1.00 0.00 C ATOM 2143 O GLY A 127 10.802 17.511 -2.536 1.00 0.00 O ATOM 0 H GLY A 127 11.766 13.910 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 127 9.086 14.943 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 127 10.313 15.244 -1.590 1.00 0.00 H new