USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 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 46 SER OG : rot -79:sc= 0.354 USER MOD Set 1.2: A 47 ASN : amide:sc= -0.241 K(o=0.11,f=-4!) USER MOD Set 2.1: A 9 HIS : no HD1:sc= -0.352 K(o=-0.43,f=0.12) USER MOD Set 2.2: A 131 SER OG : rot 52:sc= -0.0808 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -101:sc= -1.06 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0.522 (180deg=0.482) USER MOD Single : A 29 ASN : amide:sc= -0.976 K(o=-0.98,f=-3.7!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.038) USER MOD Single : A 31 MET CE :methyl -115:sc= -4.75! (180deg=-12.8!) USER MOD Single : A 34 TYR OH : rot 15:sc= -0.413 USER MOD Single : A 36 GLN : amide:sc= -1.46 K(o=-1.5,f=-7.5!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 39 CYS SG : rot 180:sc= -3.29! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.7!) USER MOD Single : A 44 GLN : amide:sc= -0.0025 X(o=-0.0025,f=-0.45) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 55 THR OG1 : rot 64:sc= 0.919 USER MOD Single : A 59 ASN : amide:sc= 0.299 X(o=0.3,f=0) USER MOD Single : A 61 THR OG1 : rot 15:sc= 0.259 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.341 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0574 USER MOD Single : A 71 THR OG1 : rot -91:sc= 1.2 USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= -0.29 (180deg=-0.29) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.121) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -82:sc= -0.448! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 26:sc= 0.449 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc=-0.00197 USER MOD Single : A 111 ASN : amide:sc= -0.161! C(o=-0.16!,f=-7.4!) USER MOD Single : A 114 LYS NZ :NH3+ 176:sc= 0.141 (180deg=0.126) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 119 LYS NZ :NH3+ -128:sc= -0.178 (180deg=-1.57!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.919 20.333 -2.559 1.00 0.00 N ATOM 60 CA GLY A 7 -7.639 19.791 -2.138 1.00 0.00 C ATOM 61 C GLY A 7 -6.588 19.949 -3.240 1.00 0.00 C ATOM 62 O GLY A 7 -6.781 20.716 -4.181 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.304 20.300 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.752 18.736 -1.886 1.00 0.00 H new ATOM 66 N PRO A 8 -5.471 19.190 -3.080 1.00 0.00 N ATOM 67 CA PRO A 8 -4.389 19.238 -4.050 1.00 0.00 C ATOM 68 C PRO A 8 -4.763 18.481 -5.326 1.00 0.00 C ATOM 69 O PRO A 8 -5.905 18.050 -5.485 1.00 0.00 O ATOM 70 CB PRO A 8 -3.191 18.637 -3.333 1.00 0.00 C ATOM 71 CG PRO A 8 -3.757 17.854 -2.159 1.00 0.00 C ATOM 72 CD PRO A 8 -5.208 18.270 -1.977 1.00 0.00 C ATOM 0 HA PRO A 8 -4.169 20.252 -4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.623 17.987 -3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.510 19.416 -2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.688 16.782 -2.346 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.185 18.057 -1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.874 17.408 -2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.363 18.753 -1.012 1.00 0.00 H new ATOM 80 N HIS A 9 -3.780 18.342 -6.203 1.00 0.00 N ATOM 81 CA HIS A 9 -3.991 17.645 -7.460 1.00 0.00 C ATOM 82 C HIS A 9 -2.648 17.426 -8.158 1.00 0.00 C ATOM 83 O HIS A 9 -1.887 18.371 -8.359 1.00 0.00 O ATOM 84 CB HIS A 9 -4.998 18.395 -8.335 1.00 0.00 C ATOM 85 CG HIS A 9 -4.680 19.859 -8.519 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.357 20.863 -7.849 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.751 20.478 -9.303 1.00 0.00 C ATOM 88 CE1 HIS A 9 -4.851 22.030 -8.222 1.00 0.00 C ATOM 89 NE2 HIS A 9 -3.856 21.789 -9.123 1.00 0.00 N ATOM 0 H HIS A 9 -2.835 18.700 -6.068 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.425 16.664 -7.267 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.040 17.917 -9.314 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.989 18.302 -7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.049 19.985 -9.959 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.171 23.001 -7.874 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.286 22.499 -9.583 1.00 0.00 H new ATOM 97 N GLY A 10 -2.396 16.173 -8.507 1.00 0.00 N ATOM 98 CA GLY A 10 -1.157 15.817 -9.178 1.00 0.00 C ATOM 99 C GLY A 10 -1.008 14.298 -9.286 1.00 0.00 C ATOM 100 O GLY A 10 -1.979 13.594 -9.559 1.00 0.00 O ATOM 0 H GLY A 10 -3.029 15.391 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.139 16.259 -10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.311 16.231 -8.630 1.00 0.00 H new ATOM 104 N THR A 11 0.215 13.839 -9.067 1.00 0.00 N ATOM 105 CA THR A 11 0.504 12.417 -9.136 1.00 0.00 C ATOM 106 C THR A 11 0.913 11.888 -7.760 1.00 0.00 C ATOM 107 O THR A 11 1.410 12.642 -6.924 1.00 0.00 O ATOM 108 CB THR A 11 1.570 12.202 -10.211 1.00 0.00 C ATOM 109 OG1 THR A 11 0.907 12.532 -11.429 1.00 0.00 O ATOM 110 CG2 THR A 11 1.946 10.728 -10.379 1.00 0.00 C ATOM 0 H THR A 11 1.017 14.427 -8.842 1.00 0.00 H new ATOM 0 HA THR A 11 -0.381 11.847 -9.418 1.00 0.00 H new ATOM 0 HB THR A 11 2.461 12.776 -9.957 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.527 12.422 -12.179 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.706 10.632 -11.154 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.338 10.343 -9.438 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.062 10.157 -10.665 1.00 0.00 H new ATOM 118 N LEU A 12 0.691 10.596 -7.567 1.00 0.00 N ATOM 119 CA LEU A 12 1.030 9.958 -6.307 1.00 0.00 C ATOM 120 C LEU A 12 2.058 8.853 -6.560 1.00 0.00 C ATOM 121 O LEU A 12 2.078 8.253 -7.634 1.00 0.00 O ATOM 122 CB LEU A 12 -0.233 9.471 -5.595 1.00 0.00 C ATOM 123 CG LEU A 12 -0.016 8.726 -4.276 1.00 0.00 C ATOM 124 CD1 LEU A 12 -0.128 9.678 -3.084 1.00 0.00 C ATOM 125 CD2 LEU A 12 -0.972 7.538 -4.154 1.00 0.00 C ATOM 0 H LEU A 12 0.280 9.974 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 12 1.493 10.676 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.872 10.333 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.779 8.816 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 12 0.997 8.325 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.030 9.123 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.626 10.461 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.120 10.130 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.797 7.026 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.002 7.894 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.800 6.846 -4.978 1.00 0.00 H new ATOM 137 N GLU A 13 2.887 8.618 -5.554 1.00 0.00 N ATOM 138 CA GLU A 13 3.915 7.596 -5.654 1.00 0.00 C ATOM 139 C GLU A 13 3.855 6.662 -4.443 1.00 0.00 C ATOM 140 O GLU A 13 3.995 7.106 -3.305 1.00 0.00 O ATOM 141 CB GLU A 13 5.302 8.226 -5.793 1.00 0.00 C ATOM 142 CG GLU A 13 6.195 7.388 -6.710 1.00 0.00 C ATOM 143 CD GLU A 13 7.649 7.413 -6.233 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.842 7.352 -4.999 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.534 7.492 -7.112 1.00 0.00 O ATOM 0 H GLU A 13 2.868 9.118 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 13 3.728 7.007 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.208 9.235 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.765 8.315 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.834 6.360 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.136 7.770 -7.729 1.00 0.00 H new ATOM 152 N VAL A 14 3.646 5.386 -4.731 1.00 0.00 N ATOM 153 CA VAL A 14 3.566 4.386 -3.680 1.00 0.00 C ATOM 154 C VAL A 14 4.760 3.436 -3.793 1.00 0.00 C ATOM 155 O VAL A 14 4.823 2.620 -4.712 1.00 0.00 O ATOM 156 CB VAL A 14 2.219 3.663 -3.747 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.088 2.642 -2.615 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.060 4.662 -3.722 1.00 0.00 C ATOM 0 H VAL A 14 3.530 5.022 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 14 3.618 4.859 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 14 2.175 3.122 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.122 2.142 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.885 1.903 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.163 3.152 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.114 4.123 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.100 5.243 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.140 5.333 -4.577 1.00 0.00 H new ATOM 168 N VAL A 15 5.677 3.573 -2.847 1.00 0.00 N ATOM 169 CA VAL A 15 6.865 2.737 -2.829 1.00 0.00 C ATOM 170 C VAL A 15 6.661 1.589 -1.839 1.00 0.00 C ATOM 171 O VAL A 15 6.729 1.790 -0.627 1.00 0.00 O ATOM 172 CB VAL A 15 8.098 3.587 -2.514 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.373 2.742 -2.564 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.195 4.784 -3.462 1.00 0.00 C ATOM 0 H VAL A 15 5.621 4.251 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 15 7.035 2.293 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 15 7.991 3.971 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.235 3.370 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.306 1.938 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.488 2.315 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.080 5.372 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.269 4.429 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.306 5.405 -3.356 1.00 0.00 H new ATOM 184 N LEU A 16 6.415 0.410 -2.391 1.00 0.00 N ATOM 185 CA LEU A 16 6.201 -0.770 -1.571 1.00 0.00 C ATOM 186 C LEU A 16 7.555 -1.358 -1.167 1.00 0.00 C ATOM 187 O LEU A 16 8.138 -2.148 -1.907 1.00 0.00 O ATOM 188 CB LEU A 16 5.289 -1.765 -2.292 1.00 0.00 C ATOM 189 CG LEU A 16 4.976 -3.058 -1.536 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.071 -2.783 -0.333 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.381 -4.111 -2.472 1.00 0.00 C ATOM 0 H LEU A 16 6.359 0.247 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 16 5.681 -0.505 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.348 -1.265 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.751 -2.027 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 16 5.911 -3.463 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.863 -3.718 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.570 -2.092 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.135 -2.343 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.168 -5.020 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.458 -3.730 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.093 -4.335 -3.267 1.00 0.00 H new ATOM 203 N VAL A 17 8.014 -0.950 0.007 1.00 0.00 N ATOM 204 CA VAL A 17 9.288 -1.426 0.518 1.00 0.00 C ATOM 205 C VAL A 17 9.157 -2.899 0.910 1.00 0.00 C ATOM 206 O VAL A 17 9.450 -3.786 0.109 1.00 0.00 O ATOM 207 CB VAL A 17 9.752 -0.539 1.676 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.997 -1.121 2.347 1.00 0.00 C ATOM 209 CG2 VAL A 17 10.003 0.894 1.202 1.00 0.00 C ATOM 0 H VAL A 17 7.527 -0.295 0.619 1.00 0.00 H new ATOM 0 HA VAL A 17 10.056 -1.361 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 17 8.954 -0.511 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.306 -0.472 3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.770 -2.114 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.804 -1.193 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.332 1.503 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.774 0.893 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.082 1.308 0.792 1.00 0.00 H new ATOM 219 N SER A 18 8.718 -3.114 2.141 1.00 0.00 N ATOM 220 CA SER A 18 8.545 -4.465 2.648 1.00 0.00 C ATOM 221 C SER A 18 7.401 -4.500 3.664 1.00 0.00 C ATOM 222 O SER A 18 6.689 -3.512 3.837 1.00 0.00 O ATOM 223 CB SER A 18 9.836 -4.984 3.284 1.00 0.00 C ATOM 224 OG SER A 18 9.907 -4.679 4.674 1.00 0.00 O ATOM 0 H SER A 18 8.477 -2.376 2.802 1.00 0.00 H new ATOM 0 HA SER A 18 8.298 -5.116 1.810 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.899 -6.063 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.693 -4.546 2.773 1.00 0.00 H new ATOM 0 HG SER A 18 10.492 -3.905 4.810 1.00 0.00 H new ATOM 230 N ALA A 19 7.261 -5.648 4.310 1.00 0.00 N ATOM 231 CA ALA A 19 6.216 -5.825 5.304 1.00 0.00 C ATOM 232 C ALA A 19 6.644 -6.904 6.301 1.00 0.00 C ATOM 233 O ALA A 19 6.870 -8.051 5.920 1.00 0.00 O ATOM 234 CB ALA A 19 4.899 -6.166 4.606 1.00 0.00 C ATOM 0 H ALA A 19 7.854 -6.465 4.164 1.00 0.00 H new ATOM 0 HA ALA A 19 6.059 -4.903 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.116 -6.299 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.624 -5.355 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.017 -7.088 4.036 1.00 0.00 H new ATOM 240 N LYS A 20 6.743 -6.497 7.558 1.00 0.00 N ATOM 241 CA LYS A 20 7.139 -7.415 8.613 1.00 0.00 C ATOM 242 C LYS A 20 5.937 -7.698 9.516 1.00 0.00 C ATOM 243 O LYS A 20 4.977 -6.929 9.537 1.00 0.00 O ATOM 244 CB LYS A 20 8.358 -6.874 9.363 1.00 0.00 C ATOM 245 CG LYS A 20 9.451 -6.433 8.388 1.00 0.00 C ATOM 246 CD LYS A 20 10.116 -5.138 8.859 1.00 0.00 C ATOM 247 CE LYS A 20 11.031 -4.565 7.775 1.00 0.00 C ATOM 248 NZ LYS A 20 11.413 -3.173 8.101 1.00 0.00 N ATOM 0 H LYS A 20 6.556 -5.544 7.870 1.00 0.00 H new ATOM 0 HA LYS A 20 7.451 -8.370 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.061 -6.031 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.749 -7.642 10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.201 -7.219 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.022 -6.286 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.351 -4.406 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.694 -5.330 9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.925 -5.181 7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.524 -4.593 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.920 -2.754 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.558 -2.616 8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.031 -3.169 8.938 1.00 0.00 H new ATOM 262 N GLY A 21 6.028 -8.804 10.239 1.00 0.00 N ATOM 263 CA GLY A 21 4.960 -9.198 11.142 1.00 0.00 C ATOM 264 C GLY A 21 5.397 -9.061 12.602 1.00 0.00 C ATOM 265 O GLY A 21 6.425 -8.452 12.891 1.00 0.00 O ATOM 0 H GLY A 21 6.825 -9.440 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.081 -8.580 10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.671 -10.229 10.941 1.00 0.00 H new ATOM 269 N LEU A 22 4.593 -9.638 13.483 1.00 0.00 N ATOM 270 CA LEU A 22 4.884 -9.587 14.906 1.00 0.00 C ATOM 271 C LEU A 22 5.818 -10.742 15.272 1.00 0.00 C ATOM 272 O LEU A 22 6.491 -11.299 14.406 1.00 0.00 O ATOM 273 CB LEU A 22 3.587 -9.565 15.717 1.00 0.00 C ATOM 274 CG LEU A 22 2.593 -8.458 15.362 1.00 0.00 C ATOM 275 CD1 LEU A 22 3.272 -7.087 15.371 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.903 -8.747 14.028 1.00 0.00 C ATOM 0 H LEU A 22 3.741 -10.143 13.239 1.00 0.00 H new ATOM 0 HA LEU A 22 5.405 -8.663 15.156 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.089 -10.527 15.594 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.843 -9.471 16.772 1.00 0.00 H new ATOM 0 HG LEU A 22 1.817 -8.438 16.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.543 -6.318 15.115 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.676 -6.888 16.363 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.081 -7.077 14.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.202 -7.944 13.800 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.651 -8.811 13.238 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.364 -9.692 14.094 1.00 0.00 H new ATOM 288 N GLU A 23 5.830 -11.067 16.557 1.00 0.00 N ATOM 289 CA GLU A 23 6.671 -12.145 17.048 1.00 0.00 C ATOM 290 C GLU A 23 5.997 -13.497 16.807 1.00 0.00 C ATOM 291 O GLU A 23 6.606 -14.408 16.250 1.00 0.00 O ATOM 292 CB GLU A 23 6.999 -11.952 18.530 1.00 0.00 C ATOM 293 CG GLU A 23 5.732 -12.015 19.385 1.00 0.00 C ATOM 294 CD GLU A 23 6.014 -11.558 20.817 1.00 0.00 C ATOM 295 OE1 GLU A 23 6.528 -12.395 21.590 1.00 0.00 O ATOM 296 OE2 GLU A 23 5.708 -10.381 21.108 1.00 0.00 O ATOM 0 H GLU A 23 5.271 -10.603 17.272 1.00 0.00 H new ATOM 0 HA GLU A 23 7.611 -12.127 16.496 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.699 -12.722 18.854 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.492 -10.991 18.675 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.960 -11.385 18.944 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.345 -13.034 19.394 1.00 0.00 H new ATOM 303 N ASP A 24 4.747 -13.584 17.238 1.00 0.00 N ATOM 304 CA ASP A 24 3.983 -14.809 17.076 1.00 0.00 C ATOM 305 C ASP A 24 2.906 -14.596 16.011 1.00 0.00 C ATOM 306 O ASP A 24 1.714 -14.691 16.299 1.00 0.00 O ATOM 307 CB ASP A 24 3.286 -15.200 18.381 1.00 0.00 C ATOM 308 CG ASP A 24 4.212 -15.347 19.590 1.00 0.00 C ATOM 309 OD1 ASP A 24 5.400 -15.661 19.360 1.00 0.00 O ATOM 310 OD2 ASP A 24 3.711 -15.142 20.717 1.00 0.00 O ATOM 0 H ASP A 24 4.244 -12.826 17.699 1.00 0.00 H new ATOM 0 HA ASP A 24 4.673 -15.601 16.784 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.530 -14.449 18.611 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.762 -16.143 18.227 1.00 0.00 H new ATOM 315 N ALA A 25 3.365 -14.312 14.800 1.00 0.00 N ATOM 316 CA ALA A 25 2.456 -14.085 13.690 1.00 0.00 C ATOM 317 C ALA A 25 2.975 -14.820 12.453 1.00 0.00 C ATOM 318 O ALA A 25 4.062 -14.522 11.959 1.00 0.00 O ATOM 319 CB ALA A 25 2.303 -12.581 13.454 1.00 0.00 C ATOM 0 H ALA A 25 4.354 -14.234 14.564 1.00 0.00 H new ATOM 0 HA ALA A 25 1.466 -14.481 13.917 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.621 -12.411 12.621 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.903 -12.111 14.352 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.276 -12.149 13.220 1.00 0.00 H new ATOM 325 N ASP A 26 2.174 -15.767 11.986 1.00 0.00 N ATOM 326 CA ASP A 26 2.540 -16.547 10.816 1.00 0.00 C ATOM 327 C ASP A 26 2.112 -15.796 9.554 1.00 0.00 C ATOM 328 O ASP A 26 1.515 -16.380 8.651 1.00 0.00 O ATOM 329 CB ASP A 26 1.837 -17.906 10.818 1.00 0.00 C ATOM 330 CG ASP A 26 2.115 -18.780 9.594 1.00 0.00 C ATOM 331 OD1 ASP A 26 3.167 -19.456 9.607 1.00 0.00 O ATOM 332 OD2 ASP A 26 1.270 -18.753 8.673 1.00 0.00 O ATOM 0 H ASP A 26 1.273 -16.012 12.397 1.00 0.00 H new ATOM 0 HA ASP A 26 3.619 -16.699 10.836 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.138 -18.452 11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.762 -17.742 10.892 1.00 0.00 H new ATOM 337 N PHE A 27 2.435 -14.511 9.531 1.00 0.00 N ATOM 338 CA PHE A 27 2.092 -13.673 8.394 1.00 0.00 C ATOM 339 C PHE A 27 3.222 -13.659 7.363 1.00 0.00 C ATOM 340 O PHE A 27 4.332 -13.221 7.660 1.00 0.00 O ATOM 341 CB PHE A 27 1.888 -12.255 8.930 1.00 0.00 C ATOM 342 CG PHE A 27 1.624 -11.211 7.842 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.703 -11.457 6.872 1.00 0.00 C ATOM 344 CD2 PHE A 27 2.311 -10.037 7.845 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.458 -10.489 5.863 1.00 0.00 C ATOM 346 CE2 PHE A 27 2.067 -9.069 6.836 1.00 0.00 C ATOM 347 CZ PHE A 27 1.145 -9.315 5.866 1.00 0.00 C ATOM 0 H PHE A 27 2.931 -14.030 10.281 1.00 0.00 H new ATOM 0 HA PHE A 27 1.196 -14.056 7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.050 -12.258 9.627 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.772 -11.960 9.495 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.158 -12.389 6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.042 -9.841 8.615 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.274 -10.685 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.613 -8.137 6.838 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.959 -8.578 5.099 1.00 0.00 H new ATOM 357 N LEU A 28 2.899 -14.143 6.172 1.00 0.00 N ATOM 358 CA LEU A 28 3.873 -14.191 5.095 1.00 0.00 C ATOM 359 C LEU A 28 4.983 -15.180 5.461 1.00 0.00 C ATOM 360 O LEU A 28 6.148 -14.801 5.562 1.00 0.00 O ATOM 361 CB LEU A 28 4.384 -12.786 4.772 1.00 0.00 C ATOM 362 CG LEU A 28 3.346 -11.664 4.832 1.00 0.00 C ATOM 363 CD1 LEU A 28 4.022 -10.295 4.929 1.00 0.00 C ATOM 364 CD2 LEU A 28 2.383 -11.745 3.645 1.00 0.00 C ATOM 0 H LEU A 28 1.977 -14.505 5.930 1.00 0.00 H new ATOM 0 HA LEU A 28 3.410 -14.555 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.190 -12.546 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.818 -12.800 3.772 1.00 0.00 H new ATOM 0 HG LEU A 28 2.754 -11.795 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.261 -9.516 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.633 -10.254 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.654 -10.139 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.655 -10.936 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.944 -11.653 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.864 -12.703 3.663 1.00 0.00 H new ATOM 376 N ASN A 29 4.580 -16.428 5.648 1.00 0.00 N ATOM 377 CA ASN A 29 5.526 -17.474 6.000 1.00 0.00 C ATOM 378 C ASN A 29 5.321 -18.674 5.073 1.00 0.00 C ATOM 379 O ASN A 29 4.216 -19.205 4.975 1.00 0.00 O ATOM 380 CB ASN A 29 5.313 -17.947 7.440 1.00 0.00 C ATOM 381 CG ASN A 29 6.289 -19.070 7.797 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.247 -20.161 7.253 1.00 0.00 O ATOM 383 ND2 ASN A 29 7.167 -18.743 8.741 1.00 0.00 N ATOM 0 H ASN A 29 3.612 -16.739 5.563 1.00 0.00 H new ATOM 0 HA ASN A 29 6.532 -17.067 5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.449 -17.110 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.288 -18.297 7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.860 -19.424 9.051 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.147 -17.811 9.155 1.00 0.00 H new ATOM 390 N ASN A 30 6.403 -19.065 4.417 1.00 0.00 N ATOM 391 CA ASN A 30 6.356 -20.192 3.501 1.00 0.00 C ATOM 392 C ASN A 30 5.240 -19.967 2.478 1.00 0.00 C ATOM 393 O ASN A 30 4.324 -20.780 2.364 1.00 0.00 O ATOM 394 CB ASN A 30 6.058 -21.495 4.245 1.00 0.00 C ATOM 395 CG ASN A 30 6.693 -22.691 3.534 1.00 0.00 C ATOM 396 OD1 ASN A 30 6.174 -23.216 2.563 1.00 0.00 O ATOM 397 ND2 ASN A 30 7.843 -23.091 4.069 1.00 0.00 N ATOM 0 H ASN A 30 7.318 -18.622 4.501 1.00 0.00 H new ATOM 0 HA ASN A 30 7.327 -20.269 3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.438 -21.430 5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.980 -21.640 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.345 -23.882 3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.223 -22.607 4.883 1.00 0.00 H new ATOM 404 N MET A 31 5.354 -18.859 1.761 1.00 0.00 N ATOM 405 CA MET A 31 4.366 -18.516 0.752 1.00 0.00 C ATOM 406 C MET A 31 4.878 -17.397 -0.158 1.00 0.00 C ATOM 407 O MET A 31 5.998 -16.919 0.010 1.00 0.00 O ATOM 408 CB MET A 31 3.073 -18.067 1.435 1.00 0.00 C ATOM 409 CG MET A 31 3.370 -17.163 2.632 1.00 0.00 C ATOM 410 SD MET A 31 1.846 -16.682 3.427 1.00 0.00 S ATOM 411 CE MET A 31 1.281 -15.433 2.284 1.00 0.00 C ATOM 0 H MET A 31 6.115 -18.187 1.859 1.00 0.00 H new ATOM 0 HA MET A 31 4.177 -19.398 0.141 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.446 -17.535 0.720 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.510 -18.940 1.765 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.011 -17.685 3.342 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.914 -16.277 2.303 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.272 -14.463 2.781 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.952 -15.395 1.426 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.274 -15.678 1.946 1.00 0.00 H new ATOM 421 N ASP A 32 4.031 -17.013 -1.102 1.00 0.00 N ATOM 422 CA ASP A 32 4.384 -15.959 -2.039 1.00 0.00 C ATOM 423 C ASP A 32 3.291 -14.889 -2.031 1.00 0.00 C ATOM 424 O ASP A 32 2.533 -14.762 -2.992 1.00 0.00 O ATOM 425 CB ASP A 32 4.500 -16.505 -3.464 1.00 0.00 C ATOM 426 CG ASP A 32 5.883 -17.038 -3.841 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.534 -17.615 -2.943 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.259 -16.858 -5.019 1.00 0.00 O ATOM 0 H ASP A 32 3.102 -17.412 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 32 5.344 -15.543 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.772 -17.306 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.229 -15.714 -4.163 1.00 0.00 H new ATOM 433 N PRO A 33 3.242 -14.126 -0.906 1.00 0.00 N ATOM 434 CA PRO A 33 2.254 -13.070 -0.760 1.00 0.00 C ATOM 435 C PRO A 33 2.622 -11.853 -1.611 1.00 0.00 C ATOM 436 O PRO A 33 3.801 -11.580 -1.833 1.00 0.00 O ATOM 437 CB PRO A 33 2.221 -12.766 0.729 1.00 0.00 C ATOM 438 CG PRO A 33 3.514 -13.328 1.298 1.00 0.00 C ATOM 439 CD PRO A 33 4.123 -14.247 0.252 1.00 0.00 C ATOM 0 HA PRO A 33 1.267 -13.365 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.150 -11.693 0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.354 -13.226 1.202 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.204 -12.522 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.319 -13.876 2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.142 -13.948 0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.170 -15.276 0.608 1.00 0.00 H new ATOM 447 N TYR A 34 1.592 -11.154 -2.063 1.00 0.00 N ATOM 448 CA TYR A 34 1.792 -9.973 -2.885 1.00 0.00 C ATOM 449 C TYR A 34 0.803 -8.868 -2.507 1.00 0.00 C ATOM 450 O TYR A 34 -0.340 -9.149 -2.148 1.00 0.00 O ATOM 451 CB TYR A 34 1.522 -10.411 -4.326 1.00 0.00 C ATOM 452 CG TYR A 34 0.062 -10.773 -4.604 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.375 -12.068 -4.417 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.818 -9.804 -5.042 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.750 -12.409 -4.679 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.192 -10.144 -5.303 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.590 -11.430 -5.109 1.00 0.00 C ATOM 458 OH TYR A 34 -3.888 -11.752 -5.356 1.00 0.00 O ATOM 0 H TYR A 34 0.616 -11.383 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 34 2.799 -9.578 -2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.821 -9.609 -5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.149 -11.272 -4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.314 -12.826 -4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.475 -8.790 -5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.105 -13.419 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.891 -9.395 -5.645 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.091 -12.624 -4.957 1.00 0.00 H new ATOM 468 N VAL A 35 1.278 -7.635 -2.602 1.00 0.00 N ATOM 469 CA VAL A 35 0.450 -6.487 -2.274 1.00 0.00 C ATOM 470 C VAL A 35 -0.255 -5.995 -3.540 1.00 0.00 C ATOM 471 O VAL A 35 0.313 -6.043 -4.630 1.00 0.00 O ATOM 472 CB VAL A 35 1.297 -5.405 -1.603 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.441 -4.196 -1.220 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.033 -5.963 -0.383 1.00 0.00 C ATOM 0 H VAL A 35 2.226 -7.406 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.323 -6.766 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 35 2.045 -5.072 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.068 -3.442 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.016 -3.776 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.340 -4.508 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.628 -5.173 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.308 -6.337 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.688 -6.777 -0.694 1.00 0.00 H new ATOM 484 N GLN A 36 -1.483 -5.532 -3.353 1.00 0.00 N ATOM 485 CA GLN A 36 -2.271 -5.031 -4.466 1.00 0.00 C ATOM 486 C GLN A 36 -2.710 -3.590 -4.200 1.00 0.00 C ATOM 487 O GLN A 36 -3.718 -3.357 -3.533 1.00 0.00 O ATOM 488 CB GLN A 36 -3.479 -5.932 -4.731 1.00 0.00 C ATOM 489 CG GLN A 36 -4.486 -5.242 -5.654 1.00 0.00 C ATOM 490 CD GLN A 36 -5.752 -6.086 -5.814 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.763 -7.284 -5.582 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.813 -5.398 -6.224 1.00 0.00 N ATOM 0 H GLN A 36 -1.951 -5.494 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.648 -5.041 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.148 -6.867 -5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.961 -6.187 -3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.746 -4.264 -5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.032 -5.072 -6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.734 -4.396 -6.400 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.706 -5.872 -6.363 1.00 0.00 H new ATOM 501 N LEU A 37 -1.932 -2.660 -4.734 1.00 0.00 N ATOM 502 CA LEU A 37 -2.228 -1.248 -4.562 1.00 0.00 C ATOM 503 C LEU A 37 -3.558 -0.923 -5.246 1.00 0.00 C ATOM 504 O LEU A 37 -3.764 -1.272 -6.408 1.00 0.00 O ATOM 505 CB LEU A 37 -1.059 -0.392 -5.053 1.00 0.00 C ATOM 506 CG LEU A 37 0.077 -0.170 -4.052 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.060 -1.109 -2.851 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.441 -0.304 -4.731 1.00 0.00 C ATOM 0 H LEU A 37 -1.097 -2.857 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.346 -1.010 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.643 -0.858 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.448 0.581 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 37 0.005 0.850 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.760 -0.931 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.009 -0.922 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.028 -2.144 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.230 -0.142 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.540 -1.303 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.526 0.437 -5.526 1.00 0.00 H new ATOM 520 N THR A 38 -4.425 -0.258 -4.497 1.00 0.00 N ATOM 521 CA THR A 38 -5.729 0.118 -5.017 1.00 0.00 C ATOM 522 C THR A 38 -5.973 1.614 -4.813 1.00 0.00 C ATOM 523 O THR A 38 -5.724 2.146 -3.733 1.00 0.00 O ATOM 524 CB THR A 38 -6.780 -0.766 -4.342 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.198 -2.067 -4.354 1.00 0.00 O ATOM 526 CG2 THR A 38 -8.047 -0.917 -5.185 1.00 0.00 C ATOM 0 H THR A 38 -4.250 0.030 -3.534 1.00 0.00 H new ATOM 0 HA THR A 38 -5.788 -0.046 -6.093 1.00 0.00 H new ATOM 0 HB THR A 38 -7.039 -0.345 -3.371 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.812 -2.704 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.759 -1.553 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.492 0.064 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.794 -1.369 -6.144 1.00 0.00 H new ATOM 534 N CYS A 39 -6.457 2.251 -5.870 1.00 0.00 N ATOM 535 CA CYS A 39 -6.737 3.676 -5.821 1.00 0.00 C ATOM 536 C CYS A 39 -8.045 3.935 -6.570 1.00 0.00 C ATOM 537 O CYS A 39 -8.036 4.187 -7.774 1.00 0.00 O ATOM 538 CB CYS A 39 -5.581 4.500 -6.390 1.00 0.00 C ATOM 539 SG CYS A 39 -5.057 5.766 -5.177 1.00 0.00 S ATOM 0 H CYS A 39 -6.662 1.806 -6.765 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.845 3.992 -4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.742 3.847 -6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.889 4.980 -7.319 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.073 6.458 -5.670 1.00 0.00 H new ATOM 545 N ARG A 40 -9.140 3.862 -5.827 1.00 0.00 N ATOM 546 CA ARG A 40 -10.454 4.085 -6.407 1.00 0.00 C ATOM 547 C ARG A 40 -10.767 3.004 -7.443 1.00 0.00 C ATOM 548 O ARG A 40 -11.388 1.992 -7.122 1.00 0.00 O ATOM 549 CB ARG A 40 -10.536 5.460 -7.073 1.00 0.00 C ATOM 550 CG ARG A 40 -11.251 6.465 -6.168 1.00 0.00 C ATOM 551 CD ARG A 40 -10.621 6.494 -4.775 1.00 0.00 C ATOM 552 NE ARG A 40 -11.675 6.390 -3.740 1.00 0.00 N ATOM 553 CZ ARG A 40 -11.436 6.122 -2.449 1.00 0.00 C ATOM 554 NH1 ARG A 40 -10.179 5.930 -2.026 1.00 0.00 N ATOM 555 NH2 ARG A 40 -12.454 6.047 -1.581 1.00 0.00 N ATOM 0 H ARG A 40 -9.144 3.652 -4.829 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.185 4.041 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.532 5.819 -7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.066 5.378 -8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.203 7.459 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.306 6.202 -6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.914 5.671 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.058 7.418 -4.641 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.643 6.531 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.404 5.988 -2.687 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.997 5.726 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.411 6.194 -1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.272 5.843 -0.598 1.00 0.00 H new ATOM 569 N THR A 41 -10.323 3.255 -8.666 1.00 0.00 N ATOM 570 CA THR A 41 -10.548 2.316 -9.752 1.00 0.00 C ATOM 571 C THR A 41 -9.215 1.804 -10.299 1.00 0.00 C ATOM 572 O THR A 41 -9.189 1.001 -11.231 1.00 0.00 O ATOM 573 CB THR A 41 -11.411 3.012 -10.807 1.00 0.00 C ATOM 574 OG1 THR A 41 -10.563 4.030 -11.332 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.582 3.781 -10.193 1.00 0.00 C ATOM 0 H THR A 41 -9.808 4.095 -8.929 1.00 0.00 H new ATOM 0 HA THR A 41 -11.082 1.431 -9.406 1.00 0.00 H new ATOM 0 HB THR A 41 -11.793 2.271 -11.509 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.043 4.530 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.161 4.255 -10.985 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.220 3.092 -9.640 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.200 4.545 -9.515 1.00 0.00 H new ATOM 583 N GLN A 42 -8.139 2.288 -9.696 1.00 0.00 N ATOM 584 CA GLN A 42 -6.805 1.888 -10.110 1.00 0.00 C ATOM 585 C GLN A 42 -6.297 0.743 -9.233 1.00 0.00 C ATOM 586 O GLN A 42 -6.291 0.850 -8.007 1.00 0.00 O ATOM 587 CB GLN A 42 -5.841 3.076 -10.074 1.00 0.00 C ATOM 588 CG GLN A 42 -6.297 4.182 -11.028 1.00 0.00 C ATOM 589 CD GLN A 42 -5.815 5.552 -10.549 1.00 0.00 C ATOM 590 OE1 GLN A 42 -5.768 5.844 -9.366 1.00 0.00 O ATOM 591 NE2 GLN A 42 -5.461 6.375 -11.532 1.00 0.00 N ATOM 0 H GLN A 42 -8.164 2.954 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.856 1.534 -11.140 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.780 3.469 -9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.839 2.745 -10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.911 3.986 -12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.385 4.180 -11.100 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.525 6.067 -12.502 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.126 7.314 -11.315 1.00 0.00 H new ATOM 600 N ASP A 43 -5.882 -0.328 -9.894 1.00 0.00 N ATOM 601 CA ASP A 43 -5.373 -1.492 -9.189 1.00 0.00 C ATOM 602 C ASP A 43 -4.018 -1.887 -9.778 1.00 0.00 C ATOM 603 O ASP A 43 -3.876 -2.007 -10.994 1.00 0.00 O ATOM 604 CB ASP A 43 -6.320 -2.685 -9.340 1.00 0.00 C ATOM 605 CG ASP A 43 -6.937 -2.849 -10.730 1.00 0.00 C ATOM 606 OD1 ASP A 43 -7.699 -1.939 -11.124 1.00 0.00 O ATOM 607 OD2 ASP A 43 -6.633 -3.879 -11.368 1.00 0.00 O ATOM 0 H ASP A 43 -5.888 -0.414 -10.910 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.283 -1.234 -8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.775 -3.596 -9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.125 -2.585 -8.611 1.00 0.00 H new ATOM 612 N GLN A 44 -3.055 -2.080 -8.888 1.00 0.00 N ATOM 613 CA GLN A 44 -1.716 -2.459 -9.305 1.00 0.00 C ATOM 614 C GLN A 44 -1.061 -3.345 -8.243 1.00 0.00 C ATOM 615 O GLN A 44 -0.962 -2.957 -7.080 1.00 0.00 O ATOM 616 CB GLN A 44 -0.860 -1.223 -9.591 1.00 0.00 C ATOM 617 CG GLN A 44 -1.456 -0.396 -10.732 1.00 0.00 C ATOM 618 CD GLN A 44 -0.558 0.795 -11.072 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.658 0.701 -11.102 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.224 1.918 -11.327 1.00 0.00 N ATOM 0 H GLN A 44 -3.176 -1.981 -7.880 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.792 -3.030 -10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.788 -0.610 -8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.153 -1.530 -9.850 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.583 -1.024 -11.614 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.447 -0.040 -10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.243 1.927 -11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.716 2.770 -11.565 1.00 0.00 H new ATOM 629 N LYS A 45 -0.630 -4.519 -8.682 1.00 0.00 N ATOM 630 CA LYS A 45 0.012 -5.463 -7.784 1.00 0.00 C ATOM 631 C LYS A 45 1.529 -5.380 -7.963 1.00 0.00 C ATOM 632 O LYS A 45 2.012 -4.812 -8.942 1.00 0.00 O ATOM 633 CB LYS A 45 -0.554 -6.870 -7.991 1.00 0.00 C ATOM 634 CG LYS A 45 -1.874 -7.045 -7.236 1.00 0.00 C ATOM 635 CD LYS A 45 -2.918 -7.742 -8.111 1.00 0.00 C ATOM 636 CE LYS A 45 -2.508 -9.186 -8.409 1.00 0.00 C ATOM 637 NZ LYS A 45 -2.682 -9.488 -9.847 1.00 0.00 N ATOM 0 H LYS A 45 -0.713 -4.837 -9.647 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.202 -5.207 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.712 -7.050 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.168 -7.611 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.705 -7.628 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.249 -6.071 -6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.885 -7.731 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.039 -7.194 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.468 -9.342 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.109 -9.872 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.399 -10.472 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.680 -9.359 -10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.089 -8.846 -10.411 1.00 0.00 H new ATOM 651 N SER A 46 2.239 -5.953 -7.003 1.00 0.00 N ATOM 652 CA SER A 46 3.692 -5.951 -7.043 1.00 0.00 C ATOM 653 C SER A 46 4.211 -7.369 -7.286 1.00 0.00 C ATOM 654 O SER A 46 3.449 -8.332 -7.225 1.00 0.00 O ATOM 655 CB SER A 46 4.277 -5.386 -5.747 1.00 0.00 C ATOM 656 OG SER A 46 5.608 -4.910 -5.925 1.00 0.00 O ATOM 0 H SER A 46 1.835 -6.422 -6.192 1.00 0.00 H new ATOM 0 HA SER A 46 4.011 -5.309 -7.864 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.646 -4.573 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.268 -6.159 -4.978 1.00 0.00 H new ATOM 0 HG SER A 46 6.229 -5.668 -5.926 1.00 0.00 H new ATOM 662 N ASN A 47 5.506 -7.452 -7.557 1.00 0.00 N ATOM 663 CA ASN A 47 6.136 -8.737 -7.810 1.00 0.00 C ATOM 664 C ASN A 47 5.729 -9.724 -6.715 1.00 0.00 C ATOM 665 O ASN A 47 5.294 -9.318 -5.639 1.00 0.00 O ATOM 666 CB ASN A 47 7.661 -8.615 -7.794 1.00 0.00 C ATOM 667 CG ASN A 47 8.137 -7.859 -6.552 1.00 0.00 C ATOM 668 OD1 ASN A 47 7.946 -6.662 -6.410 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.766 -8.622 -5.662 1.00 0.00 N ATOM 0 H ASN A 47 6.135 -6.651 -7.607 1.00 0.00 H new ATOM 0 HA ASN A 47 5.812 -9.084 -8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.109 -9.608 -7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.997 -8.096 -8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.122 -8.211 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.892 -9.618 -5.843 1.00 0.00 H new ATOM 676 N VAL A 48 5.885 -11.002 -7.027 1.00 0.00 N ATOM 677 CA VAL A 48 5.539 -12.051 -6.083 1.00 0.00 C ATOM 678 C VAL A 48 6.751 -12.359 -5.202 1.00 0.00 C ATOM 679 O VAL A 48 7.807 -12.742 -5.705 1.00 0.00 O ATOM 680 CB VAL A 48 5.017 -13.279 -6.832 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.184 -14.546 -5.991 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.558 -13.087 -7.252 1.00 0.00 C ATOM 0 H VAL A 48 6.247 -11.335 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 48 4.734 -11.722 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 48 5.613 -13.397 -7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.805 -15.404 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.240 -14.697 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.626 -14.441 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.212 -13.974 -7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.942 -12.930 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.479 -12.219 -7.907 1.00 0.00 H new ATOM 692 N ALA A 49 6.560 -12.180 -3.903 1.00 0.00 N ATOM 693 CA ALA A 49 7.625 -12.433 -2.948 1.00 0.00 C ATOM 694 C ALA A 49 7.903 -13.937 -2.887 1.00 0.00 C ATOM 695 O ALA A 49 7.354 -14.639 -2.040 1.00 0.00 O ATOM 696 CB ALA A 49 7.236 -11.857 -1.585 1.00 0.00 C ATOM 0 H ALA A 49 5.683 -11.863 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 49 8.545 -11.940 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.035 -12.047 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.078 -10.782 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.318 -12.331 -1.238 1.00 0.00 H new ATOM 702 N GLU A 50 8.754 -14.386 -3.798 1.00 0.00 N ATOM 703 CA GLU A 50 9.111 -15.793 -3.859 1.00 0.00 C ATOM 704 C GLU A 50 10.074 -16.146 -2.724 1.00 0.00 C ATOM 705 O GLU A 50 11.218 -15.692 -2.712 1.00 0.00 O ATOM 706 CB GLU A 50 9.713 -16.148 -5.220 1.00 0.00 C ATOM 707 CG GLU A 50 8.662 -16.047 -6.328 1.00 0.00 C ATOM 708 CD GLU A 50 9.323 -15.854 -7.694 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.761 -16.878 -8.262 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.375 -14.688 -8.140 1.00 0.00 O ATOM 0 H GLU A 50 9.207 -13.800 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 50 8.203 -16.384 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.544 -15.478 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.119 -17.159 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.052 -16.950 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.991 -15.212 -6.123 1.00 0.00 H new ATOM 717 N GLY A 51 9.578 -16.952 -1.798 1.00 0.00 N ATOM 718 CA GLY A 51 10.380 -17.371 -0.661 1.00 0.00 C ATOM 719 C GLY A 51 11.189 -16.200 -0.100 1.00 0.00 C ATOM 720 O GLY A 51 12.414 -16.176 -0.212 1.00 0.00 O ATOM 0 H GLY A 51 8.629 -17.327 -1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.732 -17.776 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.055 -18.172 -0.963 1.00 0.00 H new ATOM 724 N MET A 52 10.471 -15.257 0.492 1.00 0.00 N ATOM 725 CA MET A 52 11.107 -14.085 1.072 1.00 0.00 C ATOM 726 C MET A 52 11.076 -14.145 2.600 1.00 0.00 C ATOM 727 O MET A 52 11.985 -13.646 3.262 1.00 0.00 O ATOM 728 CB MET A 52 10.384 -12.824 0.595 1.00 0.00 C ATOM 729 CG MET A 52 11.369 -11.824 -0.014 1.00 0.00 C ATOM 730 SD MET A 52 12.139 -12.531 -1.461 1.00 0.00 S ATOM 731 CE MET A 52 12.133 -11.109 -2.541 1.00 0.00 C ATOM 0 H MET A 52 9.455 -15.280 0.583 1.00 0.00 H new ATOM 0 HA MET A 52 12.148 -14.062 0.749 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.628 -13.091 -0.144 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.862 -12.361 1.432 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.848 -10.905 -0.281 1.00 0.00 H new ATOM 0 HG3 MET A 52 12.130 -11.557 0.720 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.582 -11.377 -3.497 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.107 -10.779 -2.702 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.706 -10.302 -2.084 1.00 0.00 H new ATOM 741 N GLY A 53 10.021 -14.759 3.116 1.00 0.00 N ATOM 742 CA GLY A 53 9.861 -14.889 4.554 1.00 0.00 C ATOM 743 C GLY A 53 8.742 -13.980 5.066 1.00 0.00 C ATOM 744 O GLY A 53 7.829 -13.632 4.318 1.00 0.00 O ATOM 0 H GLY A 53 9.269 -15.172 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.636 -15.925 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.797 -14.635 5.052 1.00 0.00 H new ATOM 748 N THR A 54 8.849 -13.621 6.337 1.00 0.00 N ATOM 749 CA THR A 54 7.857 -12.760 6.957 1.00 0.00 C ATOM 750 C THR A 54 8.162 -11.291 6.653 1.00 0.00 C ATOM 751 O THR A 54 7.447 -10.399 7.107 1.00 0.00 O ATOM 752 CB THR A 54 7.825 -13.076 8.453 1.00 0.00 C ATOM 753 OG1 THR A 54 9.153 -12.806 8.894 1.00 0.00 O ATOM 754 CG2 THR A 54 7.637 -14.569 8.732 1.00 0.00 C ATOM 0 H THR A 54 9.608 -13.911 6.954 1.00 0.00 H new ATOM 0 HA THR A 54 6.863 -12.945 6.550 1.00 0.00 H new ATOM 0 HB THR A 54 7.019 -12.514 8.925 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.221 -12.983 9.855 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.621 -14.739 9.809 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.695 -14.904 8.298 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.461 -15.129 8.288 1.00 0.00 H new ATOM 762 N THR A 55 9.223 -11.087 5.887 1.00 0.00 N ATOM 763 CA THR A 55 9.631 -9.742 5.517 1.00 0.00 C ATOM 764 C THR A 55 9.968 -9.678 4.026 1.00 0.00 C ATOM 765 O THR A 55 11.126 -9.492 3.655 1.00 0.00 O ATOM 766 CB THR A 55 10.797 -9.336 6.421 1.00 0.00 C ATOM 767 OG1 THR A 55 11.848 -10.225 6.054 1.00 0.00 O ATOM 768 CG2 THR A 55 10.535 -9.658 7.894 1.00 0.00 C ATOM 0 H THR A 55 9.813 -11.830 5.512 1.00 0.00 H new ATOM 0 HA THR A 55 8.821 -9.028 5.666 1.00 0.00 H new ATOM 0 HB THR A 55 10.987 -8.268 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.100 -10.065 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.393 -9.350 8.492 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.647 -9.123 8.231 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.378 -10.730 8.010 1.00 0.00 H new ATOM 776 N PRO A 56 8.908 -9.841 3.190 1.00 0.00 N ATOM 777 CA PRO A 56 9.080 -9.804 1.748 1.00 0.00 C ATOM 778 C PRO A 56 9.290 -8.370 1.257 1.00 0.00 C ATOM 779 O PRO A 56 8.492 -7.484 1.558 1.00 0.00 O ATOM 780 CB PRO A 56 7.822 -10.446 1.185 1.00 0.00 C ATOM 781 CG PRO A 56 6.793 -10.396 2.302 1.00 0.00 C ATOM 782 CD PRO A 56 7.523 -10.065 3.594 1.00 0.00 C ATOM 0 HA PRO A 56 9.968 -10.342 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.469 -9.908 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.013 -11.474 0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.034 -9.643 2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.277 -11.352 2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.102 -9.180 4.071 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.447 -10.881 4.312 1.00 0.00 H new ATOM 790 N GLU A 57 10.369 -8.186 0.510 1.00 0.00 N ATOM 791 CA GLU A 57 10.695 -6.875 -0.025 1.00 0.00 C ATOM 792 C GLU A 57 10.303 -6.792 -1.501 1.00 0.00 C ATOM 793 O GLU A 57 10.536 -7.730 -2.263 1.00 0.00 O ATOM 794 CB GLU A 57 12.179 -6.558 0.168 1.00 0.00 C ATOM 795 CG GLU A 57 12.385 -5.579 1.325 1.00 0.00 C ATOM 796 CD GLU A 57 13.867 -5.242 1.501 1.00 0.00 C ATOM 797 OE1 GLU A 57 14.638 -6.191 1.762 1.00 0.00 O ATOM 798 OE2 GLU A 57 14.195 -4.043 1.371 1.00 0.00 O ATOM 0 H GLU A 57 11.029 -8.923 0.263 1.00 0.00 H new ATOM 0 HA GLU A 57 10.124 -6.127 0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.729 -7.479 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.586 -6.133 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.820 -4.666 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.995 -6.012 2.246 1.00 0.00 H new ATOM 805 N TRP A 58 9.714 -5.661 -1.862 1.00 0.00 N ATOM 806 CA TRP A 58 9.288 -5.444 -3.234 1.00 0.00 C ATOM 807 C TRP A 58 10.119 -4.295 -3.810 1.00 0.00 C ATOM 808 O TRP A 58 10.529 -4.342 -4.969 1.00 0.00 O ATOM 809 CB TRP A 58 7.781 -5.186 -3.305 1.00 0.00 C ATOM 810 CG TRP A 58 6.926 -6.367 -2.843 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.505 -7.414 -3.566 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.400 -6.581 -1.516 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.750 -8.283 -2.805 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.684 -7.760 -1.519 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.525 -5.803 -0.352 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.037 -8.268 -0.386 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.873 -6.323 0.772 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.148 -7.509 0.786 1.00 0.00 C ATOM 0 H TRP A 58 9.522 -4.885 -1.228 1.00 0.00 H new ATOM 0 HA TRP A 58 9.460 -6.335 -3.838 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.542 -4.316 -2.693 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.513 -4.936 -4.332 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.729 -7.559 -4.613 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.320 -9.150 -3.127 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.080 -4.877 -0.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.483 -9.194 -0.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.938 -5.763 1.693 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.673 -7.844 1.696 1.00 0.00 H new ATOM 829 N ASN A 59 10.342 -3.291 -2.975 1.00 0.00 N ATOM 830 CA ASN A 59 11.116 -2.133 -3.388 1.00 0.00 C ATOM 831 C ASN A 59 10.603 -1.637 -4.741 1.00 0.00 C ATOM 832 O ASN A 59 11.372 -1.117 -5.548 1.00 0.00 O ATOM 833 CB ASN A 59 12.596 -2.487 -3.544 1.00 0.00 C ATOM 834 CG ASN A 59 13.311 -2.470 -2.192 1.00 0.00 C ATOM 835 OD1 ASN A 59 13.921 -1.491 -1.795 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.200 -3.605 -1.507 1.00 0.00 N ATOM 0 H ASN A 59 10.000 -3.255 -2.015 1.00 0.00 H new ATOM 0 HA ASN A 59 11.008 -1.365 -2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.691 -3.474 -3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.073 -1.778 -4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.640 -3.693 -0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.674 -4.387 -1.898 1.00 0.00 H new ATOM 843 N GLU A 60 9.306 -1.816 -4.948 1.00 0.00 N ATOM 844 CA GLU A 60 8.681 -1.394 -6.190 1.00 0.00 C ATOM 845 C GLU A 60 8.233 0.065 -6.088 1.00 0.00 C ATOM 846 O GLU A 60 8.412 0.703 -5.052 1.00 0.00 O ATOM 847 CB GLU A 60 7.506 -2.305 -6.550 1.00 0.00 C ATOM 848 CG GLU A 60 7.942 -3.404 -7.521 1.00 0.00 C ATOM 849 CD GLU A 60 8.624 -2.806 -8.754 1.00 0.00 C ATOM 850 OE1 GLU A 60 7.900 -2.171 -9.551 1.00 0.00 O ATOM 851 OE2 GLU A 60 9.853 -2.999 -8.873 1.00 0.00 O ATOM 0 H GLU A 60 8.671 -2.248 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 60 9.417 -1.473 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.099 -2.755 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.707 -1.714 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.626 -4.088 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.075 -3.988 -7.828 1.00 0.00 H new ATOM 858 N THR A 61 7.657 0.551 -7.178 1.00 0.00 N ATOM 859 CA THR A 61 7.181 1.923 -7.225 1.00 0.00 C ATOM 860 C THR A 61 5.942 2.028 -8.116 1.00 0.00 C ATOM 861 O THR A 61 5.997 1.711 -9.303 1.00 0.00 O ATOM 862 CB THR A 61 8.339 2.810 -7.689 1.00 0.00 C ATOM 863 OG1 THR A 61 9.135 2.981 -6.520 1.00 0.00 O ATOM 864 CG2 THR A 61 7.886 4.228 -8.042 1.00 0.00 C ATOM 0 H THR A 61 7.509 0.019 -8.036 1.00 0.00 H new ATOM 0 HA THR A 61 6.864 2.265 -6.240 1.00 0.00 H new ATOM 0 HB THR A 61 8.819 2.356 -8.556 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.872 2.320 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.746 4.815 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.153 4.186 -8.847 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.436 4.695 -7.166 1.00 0.00 H new ATOM 872 N PHE A 62 4.852 2.473 -7.508 1.00 0.00 N ATOM 873 CA PHE A 62 3.600 2.623 -8.231 1.00 0.00 C ATOM 874 C PHE A 62 3.174 4.091 -8.290 1.00 0.00 C ATOM 875 O PHE A 62 3.504 4.874 -7.401 1.00 0.00 O ATOM 876 CB PHE A 62 2.542 1.828 -7.464 1.00 0.00 C ATOM 877 CG PHE A 62 2.849 0.333 -7.349 1.00 0.00 C ATOM 878 CD1 PHE A 62 3.644 -0.122 -6.344 1.00 0.00 C ATOM 879 CD2 PHE A 62 2.326 -0.539 -8.251 1.00 0.00 C ATOM 880 CE1 PHE A 62 3.929 -1.509 -6.238 1.00 0.00 C ATOM 881 CE2 PHE A 62 2.611 -1.927 -8.145 1.00 0.00 C ATOM 882 CZ PHE A 62 3.406 -2.382 -7.140 1.00 0.00 C ATOM 0 H PHE A 62 4.810 2.735 -6.523 1.00 0.00 H new ATOM 0 HA PHE A 62 3.716 2.264 -9.254 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.443 2.246 -6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.579 1.954 -7.958 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.058 0.571 -5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.694 -0.177 -9.048 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.561 -1.871 -5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.197 -2.620 -8.862 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.622 -3.437 -7.058 1.00 0.00 H new ATOM 892 N ILE A 63 2.447 4.421 -9.348 1.00 0.00 N ATOM 893 CA ILE A 63 1.972 5.781 -9.535 1.00 0.00 C ATOM 894 C ILE A 63 0.451 5.768 -9.703 1.00 0.00 C ATOM 895 O ILE A 63 -0.099 4.862 -10.328 1.00 0.00 O ATOM 896 CB ILE A 63 2.713 6.453 -10.692 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.197 6.081 -10.683 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.502 7.969 -10.673 1.00 0.00 C ATOM 899 CD1 ILE A 63 4.913 6.710 -9.487 1.00 0.00 C ATOM 0 H ILE A 63 2.176 3.769 -10.084 1.00 0.00 H new ATOM 0 HA ILE A 63 2.190 6.385 -8.654 1.00 0.00 H new ATOM 0 HB ILE A 63 2.293 6.081 -11.627 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.303 4.997 -10.646 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.665 6.416 -11.609 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.040 8.422 -11.506 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.438 8.190 -10.765 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.877 8.377 -9.734 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.966 6.430 -9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.825 7.795 -9.540 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.458 6.354 -8.562 1.00 0.00 H new ATOM 911 N PHE A 64 -0.184 6.782 -9.135 1.00 0.00 N ATOM 912 CA PHE A 64 -1.630 6.898 -9.215 1.00 0.00 C ATOM 913 C PHE A 64 -2.058 8.363 -9.329 1.00 0.00 C ATOM 914 O PHE A 64 -1.613 9.205 -8.551 1.00 0.00 O ATOM 915 CB PHE A 64 -2.198 6.313 -7.920 1.00 0.00 C ATOM 916 CG PHE A 64 -2.111 4.788 -7.836 1.00 0.00 C ATOM 917 CD1 PHE A 64 -3.065 4.018 -8.425 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.079 4.201 -7.171 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.984 2.603 -8.346 1.00 0.00 C ATOM 920 CE2 PHE A 64 -0.998 2.786 -7.093 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.953 2.016 -7.682 1.00 0.00 C ATOM 0 H PHE A 64 0.276 7.531 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.997 6.371 -10.096 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.664 6.744 -7.073 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.242 6.613 -7.825 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.884 4.483 -8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.321 4.812 -6.703 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.742 1.992 -8.814 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.178 2.320 -6.566 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.892 0.939 -7.622 1.00 0.00 H new ATOM 931 N THR A 65 -2.916 8.621 -10.304 1.00 0.00 N ATOM 932 CA THR A 65 -3.408 9.969 -10.530 1.00 0.00 C ATOM 933 C THR A 65 -4.273 10.425 -9.353 1.00 0.00 C ATOM 934 O THR A 65 -5.187 9.715 -8.938 1.00 0.00 O ATOM 935 CB THR A 65 -4.148 9.985 -11.869 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.106 10.006 -12.841 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.905 11.293 -12.106 1.00 0.00 C ATOM 0 H THR A 65 -3.283 7.919 -10.947 1.00 0.00 H new ATOM 0 HA THR A 65 -2.588 10.684 -10.587 1.00 0.00 H new ATOM 0 HB THR A 65 -4.848 9.150 -11.906 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.497 10.016 -13.740 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.412 11.251 -13.070 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.641 11.436 -11.315 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.202 12.126 -12.102 1.00 0.00 H new ATOM 945 N VAL A 66 -3.954 11.608 -8.849 1.00 0.00 N ATOM 946 CA VAL A 66 -4.690 12.168 -7.728 1.00 0.00 C ATOM 947 C VAL A 66 -5.500 13.374 -8.207 1.00 0.00 C ATOM 948 O VAL A 66 -5.098 14.065 -9.141 1.00 0.00 O ATOM 949 CB VAL A 66 -3.728 12.508 -6.588 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.476 13.130 -5.407 1.00 0.00 C ATOM 951 CG2 VAL A 66 -2.940 11.272 -6.148 1.00 0.00 C ATOM 0 H VAL A 66 -3.195 12.195 -9.196 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.397 11.439 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.016 13.245 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.769 13.362 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.971 14.045 -5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.221 12.426 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.264 11.541 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.632 10.503 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.363 10.890 -6.990 1.00 0.00 H new ATOM 961 N SER A 67 -6.627 13.590 -7.544 1.00 0.00 N ATOM 962 CA SER A 67 -7.497 14.701 -7.891 1.00 0.00 C ATOM 963 C SER A 67 -8.665 14.778 -6.905 1.00 0.00 C ATOM 964 O SER A 67 -8.647 15.587 -5.978 1.00 0.00 O ATOM 965 CB SER A 67 -8.019 14.566 -9.322 1.00 0.00 C ATOM 966 OG SER A 67 -8.489 13.249 -9.598 1.00 0.00 O ATOM 0 H SER A 67 -6.957 13.015 -6.769 1.00 0.00 H new ATOM 0 HA SER A 67 -6.917 15.622 -7.830 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.827 15.280 -9.482 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.225 14.822 -10.023 1.00 0.00 H new ATOM 0 HG SER A 67 -8.815 13.205 -10.521 1.00 0.00 H new ATOM 972 N GLU A 68 -9.652 13.926 -7.138 1.00 0.00 N ATOM 973 CA GLU A 68 -10.825 13.887 -6.282 1.00 0.00 C ATOM 974 C GLU A 68 -11.077 12.460 -5.791 1.00 0.00 C ATOM 975 O GLU A 68 -10.820 11.497 -6.512 1.00 0.00 O ATOM 976 CB GLU A 68 -12.052 14.441 -7.009 1.00 0.00 C ATOM 977 CG GLU A 68 -12.707 13.365 -7.877 1.00 0.00 C ATOM 978 CD GLU A 68 -13.944 13.915 -8.591 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.971 14.083 -7.899 1.00 0.00 O ATOM 980 OE2 GLU A 68 -13.834 14.155 -9.813 1.00 0.00 O ATOM 0 H GLU A 68 -9.663 13.257 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.639 14.521 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.772 14.815 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.759 15.287 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.990 13.000 -8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.989 12.514 -7.257 1.00 0.00 H new ATOM 987 N GLY A 69 -11.576 12.369 -4.567 1.00 0.00 N ATOM 988 CA GLY A 69 -11.865 11.076 -3.970 1.00 0.00 C ATOM 989 C GLY A 69 -10.590 10.421 -3.436 1.00 0.00 C ATOM 990 O GLY A 69 -10.512 10.075 -2.259 1.00 0.00 O ATOM 0 H GLY A 69 -11.788 13.170 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.582 11.198 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.330 10.425 -4.711 1.00 0.00 H new ATOM 994 N THR A 70 -9.622 10.271 -4.328 1.00 0.00 N ATOM 995 CA THR A 70 -8.354 9.663 -3.962 1.00 0.00 C ATOM 996 C THR A 70 -7.706 10.435 -2.811 1.00 0.00 C ATOM 997 O THR A 70 -7.044 11.448 -3.033 1.00 0.00 O ATOM 998 CB THR A 70 -7.481 9.597 -5.216 1.00 0.00 C ATOM 999 OG1 THR A 70 -8.393 9.254 -6.256 1.00 0.00 O ATOM 1000 CG2 THR A 70 -6.496 8.427 -5.183 1.00 0.00 C ATOM 0 H THR A 70 -9.690 10.560 -5.304 1.00 0.00 H new ATOM 0 HA THR A 70 -8.495 8.647 -3.593 1.00 0.00 H new ATOM 0 HB THR A 70 -6.931 10.532 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.911 9.192 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.901 8.426 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.837 8.530 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.047 7.489 -5.108 1.00 0.00 H new ATOM 1008 N THR A 71 -7.919 9.928 -1.605 1.00 0.00 N ATOM 1009 CA THR A 71 -7.365 10.557 -0.419 1.00 0.00 C ATOM 1010 C THR A 71 -6.693 9.512 0.474 1.00 0.00 C ATOM 1011 O THR A 71 -6.367 9.793 1.626 1.00 0.00 O ATOM 1012 CB THR A 71 -8.490 11.322 0.281 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.616 10.454 0.177 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.913 12.575 -0.488 1.00 0.00 C ATOM 0 H THR A 71 -8.468 9.088 -1.424 1.00 0.00 H new ATOM 0 HA THR A 71 -6.582 11.269 -0.679 1.00 0.00 H new ATOM 0 HB THR A 71 -8.169 11.603 1.284 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.111 10.657 -0.644 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.714 13.080 0.052 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.061 13.247 -0.585 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.267 12.291 -1.479 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.506 8.329 -0.092 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.879 7.241 0.639 1.00 0.00 C ATOM 1024 C GLU A 72 -5.746 6.007 -0.257 1.00 0.00 C ATOM 1025 O GLU A 72 -6.614 5.742 -1.087 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.661 6.912 1.912 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.819 5.958 1.613 1.00 0.00 C ATOM 1028 CD GLU A 72 -9.064 6.337 2.418 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.485 7.507 2.295 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.566 5.447 3.138 1.00 0.00 O ATOM 0 H GLU A 72 -6.778 8.100 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.880 7.559 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.994 6.461 2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.047 7.831 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.049 5.982 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.524 4.936 1.852 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.653 5.285 -0.057 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.395 4.086 -0.836 1.00 0.00 C ATOM 1039 C LEU A 73 -4.752 2.855 -0.002 1.00 0.00 C ATOM 1040 O LEU A 73 -4.588 2.858 1.217 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.955 4.082 -1.353 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.513 2.821 -2.098 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.972 2.856 -3.557 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -1.002 2.613 -1.976 1.00 0.00 C ATOM 0 H LEU A 73 -3.936 5.507 0.633 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.028 4.065 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.826 4.936 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.286 4.233 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.994 1.962 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.645 1.948 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.059 2.921 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.539 3.724 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.714 1.710 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.481 3.471 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.733 2.510 -0.925 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.234 1.831 -0.692 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.616 0.595 -0.029 1.00 0.00 C ATOM 1058 C LYS A 74 -4.597 -0.495 -0.367 1.00 0.00 C ATOM 1059 O LYS A 74 -4.456 -0.880 -1.526 1.00 0.00 O ATOM 1060 CB LYS A 74 -7.056 0.221 -0.383 1.00 0.00 C ATOM 1061 CG LYS A 74 -8.021 0.644 0.727 1.00 0.00 C ATOM 1062 CD LYS A 74 -8.011 2.163 0.912 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.414 2.747 0.735 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.542 3.395 -0.589 1.00 0.00 N ATOM 0 H LYS A 74 -5.369 1.832 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.601 0.722 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.340 0.701 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.128 -0.855 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.030 0.310 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.741 0.158 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.633 2.409 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.331 2.616 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.158 1.957 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.614 3.473 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.495 3.801 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.833 4.151 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.389 2.689 -1.337 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.912 -0.961 0.668 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.910 -1.999 0.495 1.00 0.00 C ATOM 1080 C ALA A 75 -3.457 -3.323 1.032 1.00 0.00 C ATOM 1081 O ALA A 75 -3.525 -3.526 2.243 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.614 -1.578 1.192 1.00 0.00 C ATOM 0 H ALA A 75 -4.031 -0.639 1.628 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.681 -2.141 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.862 -2.356 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.252 -0.647 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.804 -1.430 2.255 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.833 -4.191 0.104 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.371 -5.490 0.468 1.00 0.00 C ATOM 1090 C LYS A 76 -3.354 -6.577 0.114 1.00 0.00 C ATOM 1091 O LYS A 76 -3.030 -6.771 -1.057 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.744 -5.700 -0.174 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.866 -5.316 0.793 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.171 -6.028 0.430 1.00 0.00 C ATOM 1095 CE LYS A 76 -9.126 -6.065 1.625 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.411 -4.694 2.103 1.00 0.00 N ATOM 0 H LYS A 76 -3.775 -4.019 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.535 -5.546 1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.820 -5.101 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.855 -6.743 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.577 -5.575 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.018 -4.237 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.648 -5.516 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.955 -7.044 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.056 -6.558 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.687 -6.654 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.218 -4.716 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.575 -4.317 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.640 -4.084 1.292 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.879 -7.257 1.147 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.905 -8.319 0.959 1.00 0.00 C ATOM 1112 C ILE A 77 -2.634 -9.616 0.604 1.00 0.00 C ATOM 1113 O ILE A 77 -3.588 -10.001 1.277 1.00 0.00 O ATOM 1114 CB ILE A 77 -1.000 -8.439 2.186 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.247 -7.131 2.442 1.00 0.00 C ATOM 1116 CG2 ILE A 77 -0.050 -9.631 2.053 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.030 -6.225 3.393 1.00 0.00 C ATOM 0 H ILE A 77 -3.150 -7.093 2.117 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.243 -8.086 0.125 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.629 -8.625 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.733 -7.349 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.078 -6.614 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.582 -9.693 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.630 -10.549 1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.575 -9.501 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.473 -5.303 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.000 -5.990 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.176 -6.736 4.345 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.156 -10.255 -0.454 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.750 -11.501 -0.907 1.00 0.00 C ATOM 1131 C PHE A 78 -1.686 -12.588 -1.073 1.00 0.00 C ATOM 1132 O PHE A 78 -0.527 -12.387 -0.713 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.393 -11.222 -2.267 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.720 -10.464 -2.184 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.808 -11.058 -1.626 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.811 -9.197 -2.670 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -7.040 -10.355 -1.549 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -6.042 -8.494 -2.593 1.00 0.00 C ATOM 1139 CZ PHE A 78 -7.130 -9.088 -2.034 1.00 0.00 C ATOM 0 H PHE A 78 -1.364 -9.933 -1.010 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.479 -11.852 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.695 -10.647 -2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.559 -12.169 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.736 -12.065 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.947 -8.726 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.904 -10.827 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.114 -7.488 -2.978 1.00 0.00 H new ATOM 0 HZ PHE A 78 -8.066 -8.553 -1.975 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.117 -13.716 -1.619 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.216 -14.834 -1.837 1.00 0.00 C ATOM 1151 C ASP A 79 -1.273 -15.251 -3.308 1.00 0.00 C ATOM 1152 O ASP A 79 -2.353 -15.479 -3.851 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.621 -16.041 -0.988 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.634 -17.210 -1.014 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.506 -16.980 -1.472 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.041 -18.307 -0.574 1.00 0.00 O ATOM 0 H ASP A 79 -3.079 -13.879 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.211 -14.516 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.747 -15.714 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.592 -16.398 -1.330 1.00 0.00 H new ATOM 1161 N LYS A 80 -0.097 -15.336 -3.912 1.00 0.00 N ATOM 1162 CA LYS A 80 0.000 -15.721 -5.309 1.00 0.00 C ATOM 1163 C LYS A 80 -1.040 -16.802 -5.610 1.00 0.00 C ATOM 1164 O LYS A 80 -1.559 -16.876 -6.723 1.00 0.00 O ATOM 1165 CB LYS A 80 1.433 -16.134 -5.653 1.00 0.00 C ATOM 1166 CG LYS A 80 1.536 -17.649 -5.844 1.00 0.00 C ATOM 1167 CD LYS A 80 2.968 -18.062 -6.187 1.00 0.00 C ATOM 1168 CE LYS A 80 2.985 -19.109 -7.303 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.373 -19.382 -7.737 1.00 0.00 N ATOM 0 H LYS A 80 0.797 -15.145 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.226 -14.872 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.753 -15.627 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.107 -15.817 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.215 -18.156 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.862 -17.965 -6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.538 -17.186 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.457 -18.464 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.520 -20.030 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.396 -18.756 -8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.366 -20.095 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.805 -18.505 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.925 -19.739 -6.931 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.315 -17.612 -4.598 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.284 -18.685 -4.741 1.00 0.00 C ATOM 1185 C ASP A 81 -3.657 -18.088 -5.056 1.00 0.00 C ATOM 1186 O ASP A 81 -4.271 -18.432 -6.064 1.00 0.00 O ATOM 1187 CB ASP A 81 -2.405 -19.493 -3.447 1.00 0.00 C ATOM 1188 CG ASP A 81 -1.419 -20.655 -3.316 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -1.255 -21.377 -4.323 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -0.852 -20.796 -2.211 1.00 0.00 O ATOM 0 H ASP A 81 -0.884 -17.547 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.947 -19.339 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.264 -18.820 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.419 -19.887 -3.376 1.00 0.00 H new ATOM 1195 N VAL A 82 -4.098 -17.203 -4.173 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.387 -16.555 -4.345 1.00 0.00 C ATOM 1197 C VAL A 82 -5.335 -15.640 -5.570 1.00 0.00 C ATOM 1198 O VAL A 82 -4.389 -15.701 -6.354 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.776 -15.815 -3.063 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -5.290 -14.365 -3.098 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -7.286 -15.882 -2.827 1.00 0.00 C ATOM 0 H VAL A 82 -3.586 -16.920 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.165 -17.296 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.285 -16.313 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.579 -13.862 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.205 -14.347 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.739 -13.851 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.535 -15.348 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.806 -15.422 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.594 -16.924 -2.736 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.362 -14.813 -5.696 1.00 0.00 N ATOM 1212 CA GLY A 83 -6.445 -13.887 -6.813 1.00 0.00 C ATOM 1213 C GLY A 83 -7.241 -12.637 -6.431 1.00 0.00 C ATOM 1214 O GLY A 83 -8.144 -12.226 -7.158 1.00 0.00 O ATOM 0 H GLY A 83 -7.144 -14.765 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.442 -13.601 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.918 -14.378 -7.663 1.00 0.00 H new ATOM 1218 N THR A 84 -6.878 -12.068 -5.291 1.00 0.00 N ATOM 1219 CA THR A 84 -7.547 -10.874 -4.804 1.00 0.00 C ATOM 1220 C THR A 84 -9.005 -11.184 -4.458 1.00 0.00 C ATOM 1221 O THR A 84 -9.448 -10.931 -3.339 1.00 0.00 O ATOM 1222 CB THR A 84 -7.393 -9.780 -5.862 1.00 0.00 C ATOM 1223 OG1 THR A 84 -8.520 -9.961 -6.715 1.00 0.00 O ATOM 1224 CG2 THR A 84 -6.190 -10.017 -6.778 1.00 0.00 C ATOM 0 H THR A 84 -6.129 -12.412 -4.690 1.00 0.00 H new ATOM 0 HA THR A 84 -7.095 -10.517 -3.879 1.00 0.00 H new ATOM 0 HB THR A 84 -7.291 -8.812 -5.371 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.333 -10.678 -7.356 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.126 -9.212 -7.510 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.278 -10.038 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.308 -10.969 -7.295 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.710 -11.726 -5.440 1.00 0.00 N ATOM 1233 CA GLU A 85 -11.109 -12.072 -5.254 1.00 0.00 C ATOM 1234 C GLU A 85 -11.232 -13.380 -4.469 1.00 0.00 C ATOM 1235 O GLU A 85 -11.516 -14.429 -5.045 1.00 0.00 O ATOM 1236 CB GLU A 85 -11.834 -12.169 -6.598 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.788 -10.833 -7.342 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.046 -11.029 -8.837 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -11.111 -11.507 -9.516 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -13.171 -10.698 -9.268 1.00 0.00 O ATOM 0 H GLU A 85 -9.339 -11.934 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.586 -11.279 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.374 -12.946 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.871 -12.464 -6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.534 -10.155 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.815 -10.364 -7.196 1.00 0.00 H new ATOM 1247 N ASP A 86 -11.012 -13.275 -3.167 1.00 0.00 N ATOM 1248 CA ASP A 86 -11.094 -14.437 -2.298 1.00 0.00 C ATOM 1249 C ASP A 86 -10.850 -14.004 -0.851 1.00 0.00 C ATOM 1250 O ASP A 86 -11.782 -13.952 -0.049 1.00 0.00 O ATOM 1251 CB ASP A 86 -10.034 -15.476 -2.666 1.00 0.00 C ATOM 1252 CG ASP A 86 -10.584 -16.827 -3.127 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -11.339 -17.432 -2.335 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -10.239 -17.223 -4.261 1.00 0.00 O ATOM 0 H ASP A 86 -10.777 -12.403 -2.692 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.085 -14.876 -2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.406 -15.067 -3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.391 -15.639 -1.801 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.592 -13.704 -0.560 1.00 0.00 N ATOM 1260 CA ASP A 87 -9.214 -13.278 0.776 1.00 0.00 C ATOM 1261 C ASP A 87 -7.772 -12.768 0.755 1.00 0.00 C ATOM 1262 O ASP A 87 -6.902 -13.382 0.139 1.00 0.00 O ATOM 1263 CB ASP A 87 -9.290 -14.441 1.767 1.00 0.00 C ATOM 1264 CG ASP A 87 -10.489 -14.404 2.717 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -11.546 -14.937 2.317 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -10.321 -13.843 3.822 1.00 0.00 O ATOM 0 H ASP A 87 -8.822 -13.748 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.903 -12.493 1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.319 -15.375 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.376 -14.453 2.360 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.563 -11.650 1.434 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.242 -11.050 1.501 1.00 0.00 C ATOM 1273 C ALA A 88 -5.620 -11.347 2.867 1.00 0.00 C ATOM 1274 O ALA A 88 -6.190 -11.000 3.901 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.347 -9.549 1.223 1.00 0.00 C ATOM 0 H ALA A 88 -8.287 -11.144 1.943 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.588 -11.477 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.355 -9.099 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.767 -9.391 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.994 -9.085 1.968 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.460 -11.986 2.828 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.755 -12.334 4.050 1.00 0.00 C ATOM 1283 C VAL A 89 -3.859 -11.173 5.041 1.00 0.00 C ATOM 1284 O VAL A 89 -3.844 -11.384 6.253 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.309 -12.718 3.729 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.197 -14.211 3.411 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.759 -11.870 2.581 1.00 0.00 C ATOM 0 H VAL A 89 -3.990 -12.272 1.969 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.212 -13.205 4.520 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.704 -12.517 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.159 -14.458 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.531 -14.792 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.821 -14.447 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.730 -12.163 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.368 -12.025 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.787 -10.817 2.861 1.00 0.00 H new ATOM 1297 N GLY A 90 -3.962 -9.973 4.489 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.068 -8.778 5.310 1.00 0.00 C ATOM 1299 C GLY A 90 -4.243 -7.531 4.442 1.00 0.00 C ATOM 1300 O GLY A 90 -4.214 -7.614 3.215 1.00 0.00 O ATOM 0 H GLY A 90 -3.974 -9.802 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.914 -8.874 5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.174 -8.675 5.925 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.421 -6.402 5.113 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.601 -5.139 4.419 1.00 0.00 C ATOM 1306 C GLU A 91 -4.062 -3.985 5.267 1.00 0.00 C ATOM 1307 O GLU A 91 -3.771 -4.162 6.449 1.00 0.00 O ATOM 1308 CB GLU A 91 -6.071 -4.915 4.060 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.842 -4.328 5.244 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.189 -2.858 4.998 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -6.414 -2.207 4.265 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -8.222 -2.420 5.549 1.00 0.00 O ATOM 0 H GLU A 91 -4.444 -6.336 6.131 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.035 -5.175 3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.142 -4.242 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.524 -5.860 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.756 -4.899 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.245 -4.417 6.152 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.945 -2.829 4.631 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.446 -1.647 5.313 1.00 0.00 C ATOM 1321 C ALA A 92 -3.996 -0.396 4.624 1.00 0.00 C ATOM 1322 O ALA A 92 -4.323 -0.429 3.438 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.917 -1.676 5.334 1.00 0.00 C ATOM 0 H ALA A 92 -4.187 -2.685 3.651 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.785 -1.630 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.543 -0.789 5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.577 -2.568 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.539 -1.691 4.312 1.00 0.00 H new ATOM 1329 N THR A 93 -4.081 0.677 5.396 1.00 0.00 N ATOM 1330 CA THR A 93 -4.586 1.936 4.875 1.00 0.00 C ATOM 1331 C THR A 93 -3.460 2.969 4.795 1.00 0.00 C ATOM 1332 O THR A 93 -2.919 3.385 5.819 1.00 0.00 O ATOM 1333 CB THR A 93 -5.755 2.379 5.757 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.778 1.427 5.480 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.354 3.713 5.309 1.00 0.00 C ATOM 0 H THR A 93 -3.809 0.701 6.379 1.00 0.00 H new ATOM 0 HA THR A 93 -4.955 1.823 3.856 1.00 0.00 H new ATOM 0 HB THR A 93 -5.419 2.462 6.791 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.574 1.638 6.012 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.180 3.981 5.968 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.589 4.488 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.721 3.622 4.287 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.140 3.354 3.568 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.089 4.331 3.341 1.00 0.00 C ATOM 1345 C ILE A 94 -2.709 5.630 2.820 1.00 0.00 C ATOM 1346 O ILE A 94 -2.978 5.759 1.627 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.010 3.753 2.422 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.410 2.477 3.016 1.00 0.00 C ATOM 1349 CG2 ILE A 94 0.062 4.799 2.109 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.491 1.318 2.021 1.00 0.00 C ATOM 0 H ILE A 94 -3.590 3.007 2.721 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.584 4.571 4.277 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.478 3.479 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.630 2.653 3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.940 2.213 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.816 4.362 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.398 5.654 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.532 5.127 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.058 0.423 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.534 1.128 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.061 1.575 1.117 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.923 6.584 3.765 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.506 7.867 3.414 1.00 0.00 C ATOM 1364 C PRO A 95 -2.486 8.756 2.700 1.00 0.00 C ATOM 1365 O PRO A 95 -1.284 8.642 2.937 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.985 8.455 4.732 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.242 7.698 5.821 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.617 6.466 5.188 1.00 0.00 C ATOM 0 HA PRO A 95 -4.333 7.774 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.772 9.523 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.063 8.340 4.842 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.474 8.329 6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.925 7.412 6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.541 6.435 5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.034 5.551 5.608 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.003 9.620 1.838 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.152 10.527 1.087 1.00 0.00 C ATOM 1378 C LEU A 96 -2.292 11.940 1.657 1.00 0.00 C ATOM 1379 O LEU A 96 -1.610 12.863 1.213 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.459 10.435 -0.409 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.725 9.030 -0.953 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -2.257 7.961 0.036 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -4.198 8.857 -1.329 1.00 0.00 C ATOM 0 H LEU A 96 -4.000 9.711 1.643 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.105 10.242 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.330 11.056 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.621 10.864 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.143 8.902 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.458 6.972 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.187 8.071 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.792 8.078 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.360 7.850 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.819 9.013 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.466 9.585 -2.095 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.179 12.065 2.633 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.417 13.350 3.269 1.00 0.00 C ATOM 1397 C GLU A 97 -2.095 13.968 3.727 1.00 0.00 C ATOM 1398 O GLU A 97 -1.871 15.165 3.551 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.392 13.211 4.439 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.543 14.211 4.316 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.420 14.194 5.570 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -7.050 13.141 5.808 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -6.442 15.235 6.261 1.00 0.00 O ATOM 0 H GLU A 97 -3.742 11.297 2.999 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.873 14.017 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.789 12.196 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.864 13.373 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.144 15.213 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.147 13.970 3.442 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.231 13.102 4.322 1.00 0.00 N ATOM 1411 CA PRO A 98 0.063 13.551 4.807 1.00 0.00 C ATOM 1412 C PRO A 98 1.035 13.777 3.647 1.00 0.00 C ATOM 1413 O PRO A 98 1.927 14.619 3.736 1.00 0.00 O ATOM 1414 CB PRO A 98 0.523 12.462 5.764 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.306 11.233 5.427 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.463 11.678 4.548 1.00 0.00 C ATOM 0 HA PRO A 98 0.011 14.514 5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.587 12.260 5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.371 12.763 6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.303 10.492 4.910 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.677 10.762 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.482 11.126 3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.421 11.506 5.038 1.00 0.00 H new ATOM 1424 N VAL A 99 0.829 13.010 2.587 1.00 0.00 N ATOM 1425 CA VAL A 99 1.676 13.117 1.411 1.00 0.00 C ATOM 1426 C VAL A 99 1.150 14.235 0.508 1.00 0.00 C ATOM 1427 O VAL A 99 1.767 14.562 -0.504 1.00 0.00 O ATOM 1428 CB VAL A 99 1.758 11.764 0.701 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.674 11.641 -0.372 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.149 11.543 0.103 1.00 0.00 C ATOM 0 H VAL A 99 0.088 12.312 2.518 1.00 0.00 H new ATOM 0 HA VAL A 99 2.694 13.382 1.696 1.00 0.00 H new ATOM 0 HB VAL A 99 1.584 10.985 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.755 10.670 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.308 11.733 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.802 12.432 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.181 10.574 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.364 12.330 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.895 11.566 0.898 1.00 0.00 H new ATOM 1440 N PHE A 100 0.015 14.790 0.908 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.601 15.864 0.148 1.00 0.00 C ATOM 1442 C PHE A 100 -0.250 17.229 0.744 1.00 0.00 C ATOM 1443 O PHE A 100 -0.176 18.224 0.025 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.115 15.659 0.230 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.644 14.556 -0.689 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.812 13.960 -1.586 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.946 14.171 -0.610 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.303 12.937 -2.439 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.437 13.147 -1.463 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.605 12.552 -2.359 1.00 0.00 C ATOM 0 H PHE A 100 -0.494 14.516 1.748 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.243 15.844 -0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.384 15.420 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.612 16.596 -0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.778 14.265 -1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.607 14.644 0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.643 12.465 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.471 12.841 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.978 11.773 -3.008 1.00 0.00 H new ATOM 1460 N VAL A 101 -0.044 17.232 2.053 1.00 0.00 N ATOM 1461 CA VAL A 101 0.297 18.458 2.754 1.00 0.00 C ATOM 1462 C VAL A 101 1.819 18.574 2.858 1.00 0.00 C ATOM 1463 O VAL A 101 2.367 19.674 2.799 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.400 18.493 4.116 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.868 18.081 3.991 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.333 17.612 5.130 1.00 0.00 C ATOM 0 H VAL A 101 -0.107 16.405 2.646 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.058 19.327 2.200 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.370 19.519 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.340 18.114 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.382 18.767 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.929 17.068 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.183 17.655 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.350 16.582 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.355 17.970 5.252 1.00 0.00 H new ATOM 1476 N GLU A 102 2.459 17.424 3.012 1.00 0.00 N ATOM 1477 CA GLU A 102 3.907 17.383 3.125 1.00 0.00 C ATOM 1478 C GLU A 102 4.550 17.442 1.738 1.00 0.00 C ATOM 1479 O GLU A 102 5.458 18.238 1.504 1.00 0.00 O ATOM 1480 CB GLU A 102 4.363 16.138 3.888 1.00 0.00 C ATOM 1481 CG GLU A 102 3.784 16.121 5.305 1.00 0.00 C ATOM 1482 CD GLU A 102 4.774 16.716 6.309 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.987 16.486 6.114 1.00 0.00 O ATOM 1484 OE2 GLU A 102 4.295 17.386 7.248 1.00 0.00 O ATOM 0 H GLU A 102 2.001 16.514 3.061 1.00 0.00 H new ATOM 0 HA GLU A 102 4.232 18.255 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.048 15.243 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.452 16.115 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.853 16.687 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.542 15.097 5.591 1.00 0.00 H new ATOM 1491 N GLY A 103 4.053 16.588 0.855 1.00 0.00 N ATOM 1492 CA GLY A 103 4.568 16.533 -0.503 1.00 0.00 C ATOM 1493 C GLY A 103 5.486 15.324 -0.693 1.00 0.00 C ATOM 1494 O GLY A 103 5.925 15.042 -1.807 1.00 0.00 O ATOM 0 H GLY A 103 3.300 15.929 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.739 16.479 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.116 17.449 -0.725 1.00 0.00 H new ATOM 1498 N SER A 104 5.750 14.643 0.413 1.00 0.00 N ATOM 1499 CA SER A 104 6.608 13.471 0.382 1.00 0.00 C ATOM 1500 C SER A 104 6.678 12.837 1.773 1.00 0.00 C ATOM 1501 O SER A 104 7.069 13.491 2.738 1.00 0.00 O ATOM 1502 CB SER A 104 8.012 13.829 -0.108 1.00 0.00 C ATOM 1503 OG SER A 104 8.673 14.730 0.776 1.00 0.00 O ATOM 0 H SER A 104 5.385 14.881 1.335 1.00 0.00 H new ATOM 0 HA SER A 104 6.180 12.753 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.604 12.919 -0.208 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.947 14.277 -1.100 1.00 0.00 H new ATOM 0 HG SER A 104 8.309 14.628 1.680 1.00 0.00 H new ATOM 1509 N ILE A 105 6.292 11.571 1.831 1.00 0.00 N ATOM 1510 CA ILE A 105 6.305 10.841 3.088 1.00 0.00 C ATOM 1511 C ILE A 105 7.305 9.687 2.992 1.00 0.00 C ATOM 1512 O ILE A 105 7.400 9.027 1.958 1.00 0.00 O ATOM 1513 CB ILE A 105 4.890 10.399 3.466 1.00 0.00 C ATOM 1514 CG1 ILE A 105 3.912 11.574 3.400 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.876 9.717 4.835 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.402 12.743 4.257 1.00 0.00 C ATOM 0 H ILE A 105 5.968 11.032 1.028 1.00 0.00 H new ATOM 0 HA ILE A 105 6.639 11.487 3.900 1.00 0.00 H new ATOM 0 HB ILE A 105 4.556 9.662 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.798 11.899 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.929 11.253 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.858 9.413 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.521 8.839 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.238 10.413 5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.689 13.565 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.492 12.421 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.374 13.077 3.895 1.00 0.00 H new ATOM 1528 N PRO A 106 8.045 9.473 4.113 1.00 0.00 N ATOM 1529 CA PRO A 106 9.034 8.410 4.165 1.00 0.00 C ATOM 1530 C PRO A 106 8.363 7.042 4.305 1.00 0.00 C ATOM 1531 O PRO A 106 7.166 6.959 4.576 1.00 0.00 O ATOM 1532 CB PRO A 106 9.924 8.758 5.346 1.00 0.00 C ATOM 1533 CG PRO A 106 9.130 9.742 6.191 1.00 0.00 C ATOM 1534 CD PRO A 106 7.959 10.234 5.356 1.00 0.00 C ATOM 0 HA PRO A 106 9.620 8.337 3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.178 7.867 5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.863 9.199 5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.774 9.262 7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.759 10.578 6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.010 10.059 5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.028 11.306 5.170 1.00 0.00 H new ATOM 1542 N PRO A 107 9.184 5.976 4.108 1.00 0.00 N ATOM 1543 CA PRO A 107 8.682 4.616 4.210 1.00 0.00 C ATOM 1544 C PRO A 107 8.461 4.221 5.671 1.00 0.00 C ATOM 1545 O PRO A 107 9.419 3.971 6.402 1.00 0.00 O ATOM 1546 CB PRO A 107 9.726 3.759 3.514 1.00 0.00 C ATOM 1547 CG PRO A 107 10.989 4.602 3.458 1.00 0.00 C ATOM 1548 CD PRO A 107 10.606 6.037 3.785 1.00 0.00 C ATOM 0 HA PRO A 107 7.706 4.491 3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.899 2.833 4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.398 3.480 2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.727 4.232 4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.443 4.544 2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.187 6.421 4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.792 6.699 2.939 1.00 0.00 H new ATOM 1556 N THR A 108 7.194 4.177 6.054 1.00 0.00 N ATOM 1557 CA THR A 108 6.835 3.817 7.415 1.00 0.00 C ATOM 1558 C THR A 108 5.997 2.537 7.425 1.00 0.00 C ATOM 1559 O THR A 108 5.246 2.276 6.487 1.00 0.00 O ATOM 1560 CB THR A 108 6.124 5.014 8.050 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.126 5.623 8.860 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.044 4.591 9.048 1.00 0.00 C ATOM 0 H THR A 108 6.402 4.385 5.445 1.00 0.00 H new ATOM 0 HA THR A 108 7.720 3.593 8.011 1.00 0.00 H new ATOM 0 HB THR A 108 5.676 5.627 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.751 6.410 9.308 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.571 5.478 9.469 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.294 3.987 8.538 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.497 4.007 9.849 1.00 0.00 H new ATOM 1570 N ALA A 109 6.154 1.773 8.496 1.00 0.00 N ATOM 1571 CA ALA A 109 5.420 0.527 8.640 1.00 0.00 C ATOM 1572 C ALA A 109 3.971 0.834 9.021 1.00 0.00 C ATOM 1573 O ALA A 109 3.689 1.199 10.161 1.00 0.00 O ATOM 1574 CB ALA A 109 6.119 -0.360 9.673 1.00 0.00 C ATOM 0 H ALA A 109 6.778 1.993 9.272 1.00 0.00 H new ATOM 0 HA ALA A 109 5.404 -0.020 7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.569 -1.295 9.782 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.135 -0.573 9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.151 0.156 10.633 1.00 0.00 H new ATOM 1580 N TYR A 110 3.089 0.674 8.044 1.00 0.00 N ATOM 1581 CA TYR A 110 1.676 0.930 8.263 1.00 0.00 C ATOM 1582 C TYR A 110 0.990 -0.284 8.893 1.00 0.00 C ATOM 1583 O TYR A 110 1.277 -1.422 8.527 1.00 0.00 O ATOM 1584 CB TYR A 110 1.074 1.180 6.879 1.00 0.00 C ATOM 1585 CG TYR A 110 1.492 2.511 6.249 1.00 0.00 C ATOM 1586 CD1 TYR A 110 0.947 3.693 6.709 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.413 2.529 5.222 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.340 4.945 6.117 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.806 3.781 4.630 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.251 4.927 5.106 1.00 0.00 C ATOM 1591 OH TYR A 110 2.622 6.110 4.547 1.00 0.00 O ATOM 0 H TYR A 110 3.326 0.370 7.100 1.00 0.00 H new ATOM 0 HA TYR A 110 1.539 1.775 8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.367 0.367 6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.013 1.152 6.956 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.226 3.678 7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.839 1.604 4.862 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.922 5.877 6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.526 3.809 3.825 1.00 0.00 H new ATOM 0 HH TYR A 110 3.279 5.945 3.838 1.00 0.00 H new ATOM 1601 N ASN A 111 0.096 0.001 9.828 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.633 -1.053 10.512 1.00 0.00 C ATOM 1603 C ASN A 111 -1.314 -1.951 9.477 1.00 0.00 C ATOM 1604 O ASN A 111 -1.971 -1.460 8.561 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.718 -0.472 11.421 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.191 0.732 12.204 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.105 1.233 11.965 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -2.019 1.166 13.150 1.00 0.00 N ATOM 0 H ASN A 111 -0.140 0.947 10.128 1.00 0.00 H new ATOM 0 HA ASN A 111 0.078 -1.618 11.115 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.578 -0.172 10.821 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.065 -1.238 12.115 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.759 1.965 13.728 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.914 0.700 13.297 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.133 -3.251 9.658 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.722 -4.222 8.752 1.00 0.00 C ATOM 1617 C VAL A 112 -2.677 -5.128 9.531 1.00 0.00 C ATOM 1618 O VAL A 112 -2.244 -5.913 10.374 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.620 -4.997 8.027 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.197 -6.197 7.274 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.164 -4.082 7.083 1.00 0.00 C ATOM 0 H VAL A 112 -0.587 -3.654 10.419 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.308 -3.719 7.982 1.00 0.00 H new ATOM 0 HB VAL A 112 0.073 -5.376 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.392 -6.730 6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.689 -6.867 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.922 -5.850 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.941 -4.658 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.513 -3.660 6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.623 -3.276 7.655 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.958 -4.990 9.223 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.977 -5.787 9.884 1.00 0.00 C ATOM 1633 C VAL A 113 -5.627 -6.723 8.864 1.00 0.00 C ATOM 1634 O VAL A 113 -5.409 -6.585 7.661 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.985 -4.872 10.583 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.600 -4.650 12.047 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.120 -3.539 9.844 1.00 0.00 C ATOM 0 H VAL A 113 -4.314 -4.338 8.524 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.531 -6.410 10.659 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.956 -5.366 10.563 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.332 -3.996 12.521 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.578 -5.608 12.567 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.614 -4.187 12.098 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.842 -2.908 10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.152 -3.038 9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.462 -3.721 8.825 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.413 -7.656 9.381 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.096 -8.616 8.531 1.00 0.00 C ATOM 1649 C LYS A 114 -8.484 -8.903 9.107 1.00 0.00 C ATOM 1650 O LYS A 114 -8.650 -9.824 9.906 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.239 -9.868 8.339 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.024 -10.965 7.617 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.725 -10.411 6.375 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.551 -11.497 5.682 1.00 0.00 C ATOM 1655 NZ LYS A 114 -9.197 -10.958 4.464 1.00 0.00 N ATOM 0 H LYS A 114 -6.592 -7.767 10.379 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.243 -8.204 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.346 -9.618 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.903 -10.235 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.349 -11.771 7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.762 -11.395 8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.373 -9.581 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.984 -10.014 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.909 -12.338 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.310 -11.877 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.698 -11.723 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.875 -10.216 4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.472 -10.556 3.836 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.446 -8.099 8.678 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.814 -8.256 9.142 1.00 0.00 C ATOM 1671 C ASP A 115 -11.003 -7.466 10.438 1.00 0.00 C ATOM 1672 O ASP A 115 -12.125 -7.105 10.792 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.133 -9.724 9.432 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.583 -10.135 9.171 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.142 -9.638 8.170 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -13.100 -10.936 9.979 1.00 0.00 O ATOM 0 H ASP A 115 -9.305 -7.337 8.014 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.479 -7.891 8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.479 -10.349 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.894 -9.933 10.475 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.889 -7.220 11.111 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.917 -6.479 12.361 1.00 0.00 C ATOM 1683 C GLU A 116 -8.692 -6.823 13.210 1.00 0.00 C ATOM 1684 O GLU A 116 -8.312 -6.059 14.096 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.212 -6.751 13.130 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.584 -8.233 13.070 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.717 -8.823 14.475 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -10.657 -9.115 15.071 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -12.875 -8.969 14.923 1.00 0.00 O ATOM 0 H GLU A 116 -8.961 -7.521 10.814 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.887 -5.414 12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.093 -6.444 14.169 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.021 -6.152 12.711 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.523 -8.354 12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.824 -8.780 12.513 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.108 -7.973 12.909 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.933 -8.428 13.634 1.00 0.00 C ATOM 1698 C GLU A 117 -5.661 -7.892 12.974 1.00 0.00 C ATOM 1699 O GLU A 117 -5.550 -7.885 11.749 1.00 0.00 O ATOM 1700 CB GLU A 117 -6.902 -9.955 13.725 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.784 -10.454 14.872 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.714 -11.574 14.402 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -8.199 -12.698 14.216 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -9.918 -11.281 14.238 1.00 0.00 O ATOM 0 H GLU A 117 -8.426 -8.604 12.173 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.984 -8.037 14.650 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.244 -10.386 12.784 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.877 -10.293 13.876 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.157 -10.815 15.687 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.375 -9.628 15.267 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.734 -7.457 13.814 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.475 -6.921 13.328 1.00 0.00 C ATOM 1713 C TYR A 118 -2.532 -8.045 12.893 1.00 0.00 C ATOM 1714 O TYR A 118 -2.047 -8.810 13.726 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.850 -6.175 14.508 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.595 -5.377 14.146 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.713 -4.135 13.556 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.345 -5.900 14.409 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.532 -3.385 13.216 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.835 -5.150 14.068 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.684 -3.929 13.489 1.00 0.00 C ATOM 1722 OH TYR A 118 1.799 -3.221 13.167 1.00 0.00 O ATOM 0 H TYR A 118 -4.830 -7.465 14.829 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.641 -6.275 12.466 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.591 -5.496 14.929 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.598 -6.894 15.287 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.691 -3.726 13.349 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.252 -6.872 14.871 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.610 -2.412 12.754 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.819 -5.548 14.268 1.00 0.00 H new ATOM 0 HH TYR A 118 2.596 -3.732 13.420 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.300 -8.109 11.590 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.424 -9.127 11.035 1.00 0.00 C ATOM 1734 C LYS A 119 0.032 -8.698 11.225 1.00 0.00 C ATOM 1735 O LYS A 119 0.901 -9.532 11.478 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.795 -9.417 9.580 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.267 -9.817 9.458 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.566 -11.068 10.288 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.359 -10.714 11.547 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.318 -11.831 12.516 1.00 0.00 N ATOM 0 H LYS A 119 -2.703 -7.472 10.903 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.551 -10.070 11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.602 -8.535 8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.164 -10.217 9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.900 -8.995 9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.512 -10.003 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.130 -11.781 9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.632 -11.555 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.946 -9.814 12.003 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.393 -10.492 11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.286 -12.073 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.873 -12.660 12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.765 -11.547 13.350 1.00 0.00 H new ATOM 1754 N GLY A 120 0.255 -7.398 11.095 1.00 0.00 N ATOM 1755 CA GLY A 120 1.591 -6.849 11.249 1.00 0.00 C ATOM 1756 C GLY A 120 1.651 -5.404 10.749 1.00 0.00 C ATOM 1757 O GLY A 120 0.725 -4.627 10.975 1.00 0.00 O ATOM 0 H GLY A 120 -0.467 -6.709 10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.885 -6.887 12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.305 -7.459 10.695 1.00 0.00 H new ATOM 1761 N GLU A 121 2.750 -5.089 10.079 1.00 0.00 N ATOM 1762 CA GLU A 121 2.943 -3.751 9.545 1.00 0.00 C ATOM 1763 C GLU A 121 3.482 -3.823 8.115 1.00 0.00 C ATOM 1764 O GLU A 121 4.209 -4.753 7.769 1.00 0.00 O ATOM 1765 CB GLU A 121 3.873 -2.932 10.442 1.00 0.00 C ATOM 1766 CG GLU A 121 5.160 -3.702 10.746 1.00 0.00 C ATOM 1767 CD GLU A 121 5.865 -3.127 11.976 1.00 0.00 C ATOM 1768 OE1 GLU A 121 5.553 -1.965 12.318 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.700 -3.861 12.547 1.00 0.00 O ATOM 0 H GLU A 121 3.516 -5.737 9.894 1.00 0.00 H new ATOM 0 HA GLU A 121 1.977 -3.246 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.116 -1.988 9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.363 -2.687 11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.928 -4.754 10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.827 -3.656 9.885 1.00 0.00 H new ATOM 1776 N ILE A 122 3.105 -2.830 7.324 1.00 0.00 N ATOM 1777 CA ILE A 122 3.542 -2.769 5.939 1.00 0.00 C ATOM 1778 C ILE A 122 4.314 -1.468 5.710 1.00 0.00 C ATOM 1779 O ILE A 122 3.773 -0.380 5.895 1.00 0.00 O ATOM 1780 CB ILE A 122 2.354 -2.954 4.994 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.823 -3.091 3.544 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.337 -1.823 5.163 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.634 -3.092 2.581 1.00 0.00 C ATOM 0 H ILE A 122 2.502 -2.061 7.615 1.00 0.00 H new ATOM 0 HA ILE A 122 4.225 -3.589 5.718 1.00 0.00 H new ATOM 0 HB ILE A 122 1.849 -3.883 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.495 -2.270 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.391 -4.014 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.502 -1.979 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.969 -1.815 6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.814 -0.868 4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.995 -3.190 1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.976 -3.929 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.083 -2.157 2.683 1.00 0.00 H new ATOM 1795 N TRP A 123 5.568 -1.624 5.310 1.00 0.00 N ATOM 1796 CA TRP A 123 6.420 -0.476 5.053 1.00 0.00 C ATOM 1797 C TRP A 123 6.114 0.034 3.643 1.00 0.00 C ATOM 1798 O TRP A 123 6.194 -0.721 2.675 1.00 0.00 O ATOM 1799 CB TRP A 123 7.895 -0.832 5.253 1.00 0.00 C ATOM 1800 CG TRP A 123 8.306 -0.978 6.719 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.973 -1.953 7.576 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.147 -0.077 7.471 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.535 -1.747 8.820 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.271 -0.570 8.754 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.781 1.115 7.079 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 10.024 0.064 9.749 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.529 1.737 8.086 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.665 1.254 9.382 1.00 0.00 C ATOM 0 H TRP A 123 6.014 -2.529 5.158 1.00 0.00 H new ATOM 0 HA TRP A 123 6.215 0.324 5.765 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.107 -1.766 4.732 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.510 -0.061 4.789 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.344 -2.794 7.325 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.429 -2.348 9.637 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.698 1.519 6.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.106 -0.343 10.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.036 2.658 7.838 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.262 1.793 10.102 1.00 0.00 H new ATOM 1819 N VAL A 124 5.770 1.311 3.572 1.00 0.00 N ATOM 1820 CA VAL A 124 5.451 1.931 2.297 1.00 0.00 C ATOM 1821 C VAL A 124 5.767 3.426 2.368 1.00 0.00 C ATOM 1822 O VAL A 124 5.680 4.033 3.435 1.00 0.00 O ATOM 1823 CB VAL A 124 3.995 1.645 1.925 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.710 2.045 0.476 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.646 0.175 2.167 1.00 0.00 C ATOM 0 H VAL A 124 5.705 1.934 4.377 1.00 0.00 H new ATOM 0 HA VAL A 124 6.065 1.506 1.502 1.00 0.00 H new ATOM 0 HB VAL A 124 3.359 2.251 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.668 1.831 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.900 3.111 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.359 1.479 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.605 -0.002 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.293 -0.457 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.791 -0.065 3.220 1.00 0.00 H new ATOM 1835 N ALA A 125 6.129 3.977 1.219 1.00 0.00 N ATOM 1836 CA ALA A 125 6.458 5.390 1.138 1.00 0.00 C ATOM 1837 C ALA A 125 5.496 6.079 0.168 1.00 0.00 C ATOM 1838 O ALA A 125 5.106 5.497 -0.844 1.00 0.00 O ATOM 1839 CB ALA A 125 7.921 5.550 0.719 1.00 0.00 C ATOM 0 H ALA A 125 6.202 3.471 0.337 1.00 0.00 H new ATOM 0 HA ALA A 125 6.343 5.867 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.168 6.610 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.565 5.069 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.073 5.085 -0.255 1.00 0.00 H new ATOM 1845 N LEU A 126 5.140 7.308 0.510 1.00 0.00 N ATOM 1846 CA LEU A 126 4.231 8.083 -0.317 1.00 0.00 C ATOM 1847 C LEU A 126 4.956 9.324 -0.840 1.00 0.00 C ATOM 1848 O LEU A 126 5.641 10.012 -0.085 1.00 0.00 O ATOM 1849 CB LEU A 126 2.945 8.398 0.450 1.00 0.00 C ATOM 1850 CG LEU A 126 2.125 7.191 0.910 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.222 7.560 2.089 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.333 6.591 -0.253 1.00 0.00 C ATOM 0 H LEU A 126 5.465 7.787 1.350 1.00 0.00 H new ATOM 0 HA LEU A 126 3.921 7.505 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.205 8.991 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.313 9.022 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 126 2.814 6.422 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.650 6.685 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.834 7.905 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.538 8.354 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.759 5.735 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.653 7.342 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.022 6.268 -1.034 1.00 0.00 H new ATOM 1864 N SER A 127 4.780 9.574 -2.130 1.00 0.00 N ATOM 1865 CA SER A 127 5.409 10.721 -2.762 1.00 0.00 C ATOM 1866 C SER A 127 4.423 11.398 -3.716 1.00 0.00 C ATOM 1867 O SER A 127 4.149 10.884 -4.799 1.00 0.00 O ATOM 1868 CB SER A 127 6.677 10.309 -3.514 1.00 0.00 C ATOM 1869 OG SER A 127 7.821 11.029 -3.065 1.00 0.00 O ATOM 0 H SER A 127 4.211 9.002 -2.754 1.00 0.00 H new ATOM 0 HA SER A 127 5.695 11.427 -1.983 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.846 9.240 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.537 10.480 -4.581 1.00 0.00 H new ATOM 0 HG SER A 127 8.610 10.736 -3.568 1.00 0.00 H new ATOM 1875 N PHE A 128 3.917 12.542 -3.279 1.00 0.00 N ATOM 1876 CA PHE A 128 2.968 13.295 -4.081 1.00 0.00 C ATOM 1877 C PHE A 128 3.690 14.253 -5.031 1.00 0.00 C ATOM 1878 O PHE A 128 4.704 14.846 -4.667 1.00 0.00 O ATOM 1879 CB PHE A 128 2.110 14.109 -3.110 1.00 0.00 C ATOM 1880 CG PHE A 128 1.090 15.021 -3.795 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.234 14.510 -4.721 1.00 0.00 C ATOM 1882 CD2 PHE A 128 1.038 16.343 -3.479 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.712 15.355 -5.357 1.00 0.00 C ATOM 1884 CE2 PHE A 128 0.092 17.189 -4.115 1.00 0.00 C ATOM 1885 CZ PHE A 128 -0.764 16.677 -5.040 1.00 0.00 C ATOM 0 H PHE A 128 4.146 12.966 -2.380 1.00 0.00 H new ATOM 0 HA PHE A 128 2.367 12.614 -4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.582 13.424 -2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.764 14.717 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.275 13.460 -4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.717 16.749 -2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.391 14.949 -6.093 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.052 18.239 -3.865 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.485 17.320 -5.523 1.00 0.00 H new ATOM 1895 N LYS A 129 3.139 14.373 -6.230 1.00 0.00 N ATOM 1896 CA LYS A 129 3.718 15.248 -7.235 1.00 0.00 C ATOM 1897 C LYS A 129 2.630 16.168 -7.792 1.00 0.00 C ATOM 1898 O LYS A 129 1.918 15.800 -8.725 1.00 0.00 O ATOM 1899 CB LYS A 129 4.439 14.429 -8.307 1.00 0.00 C ATOM 1900 CG LYS A 129 5.640 13.687 -7.716 1.00 0.00 C ATOM 1901 CD LYS A 129 6.012 12.476 -8.573 1.00 0.00 C ATOM 1902 CE LYS A 129 7.396 12.652 -9.200 1.00 0.00 C ATOM 1903 NZ LYS A 129 7.658 11.580 -10.187 1.00 0.00 N ATOM 0 H LYS A 129 2.298 13.879 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 129 4.480 15.888 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.747 13.713 -8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.773 15.087 -9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.492 14.364 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.408 13.362 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.998 11.575 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.268 12.339 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.460 13.626 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.159 12.633 -8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.602 11.714 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.617 10.655 -9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 6.940 11.617 -10.938 1.00 0.00 H new ATOM 1917 N PRO A 130 2.533 17.379 -7.180 1.00 0.00 N ATOM 1918 CA PRO A 130 1.544 18.355 -7.605 1.00 0.00 C ATOM 1919 C PRO A 130 1.955 19.015 -8.922 1.00 0.00 C ATOM 1920 O PRO A 130 3.113 19.390 -9.098 1.00 0.00 O ATOM 1921 CB PRO A 130 1.443 19.341 -6.452 1.00 0.00 C ATOM 1922 CG PRO A 130 2.706 19.148 -5.628 1.00 0.00 C ATOM 1923 CD PRO A 130 3.359 17.849 -6.072 1.00 0.00 C ATOM 0 HA PRO A 130 0.573 17.906 -7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.368 20.365 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.553 19.151 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.387 19.986 -5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.466 19.111 -4.565 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.390 18.011 -6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.385 17.121 -5.261 1.00 0.00 H new ATOM 1931 N SER A 131 0.983 19.136 -9.815 1.00 0.00 N ATOM 1932 CA SER A 131 1.230 19.744 -11.112 1.00 0.00 C ATOM 1933 C SER A 131 1.734 21.177 -10.930 1.00 0.00 C ATOM 1934 O SER A 131 0.943 22.119 -10.908 1.00 0.00 O ATOM 1935 CB SER A 131 -0.033 19.731 -11.975 1.00 0.00 C ATOM 1936 OG SER A 131 -1.186 20.132 -11.240 1.00 0.00 O ATOM 0 H SER A 131 0.024 18.824 -9.666 1.00 0.00 H new ATOM 0 HA SER A 131 1.994 19.159 -11.625 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.103 20.397 -12.827 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.188 18.729 -12.375 1.00 0.00 H new ATOM 0 HG SER A 131 -1.006 20.982 -10.787 1.00 0.00 H new