USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 957 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 Single : A 1 GLY N :NH3+ -122:sc= 0.0824 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.128 USER MOD Single : A 12 THR OG1 : rot 53:sc= 0.0802 USER MOD Single : A 14 HIS : no HD1:sc= -0.0719 X(o=-0.072,f=-0.3) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 22 LYS NZ :NH3+ -135:sc= -0.712 (180deg=-1.12) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.565 K(o=0.56,f=-5.1!) USER MOD Single : A 33 SER OG : rot 40:sc= 0.15 USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.753 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -57:sc= 0.895 USER MOD Single : A 57 SER OG : rot 146:sc= -0.84 USER MOD Single : A 62 SER OG : rot -70:sc= -2.18! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.8!) USER MOD Single : A 74 ASN :FLIP amide:sc= 0.642 F(o=-0.66,f=0.64) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0614 USER MOD Single : A 80 ASN : amide:sc= -0.0863 X(o=-0.086,f=-0.0053) USER MOD Single : A 83 HIS : no HD1:sc=-0.00509 X(o=-0.0051,f=-0.26) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.212) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-2.1!) USER MOD Single : A 99 THR OG1 : rot 77:sc=0.000667 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0948 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 37:sc= 0.0278 USER MOD Single : A 123 SER OG : rot 32:sc= 0.062 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.663 48.998 1.609 1.00 0.00 N ATOM 2 CA GLY A 1 -20.297 48.805 2.168 1.00 0.00 C ATOM 3 C GLY A 1 -19.249 49.621 1.437 1.00 0.00 C ATOM 4 O GLY A 1 -19.579 50.460 0.599 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.298 49.344 2.356 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.627 49.693 0.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.020 48.092 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.297 49.081 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.032 47.749 2.115 1.00 0.00 H new ATOM 10 N SER A 2 -17.983 49.376 1.756 1.00 0.00 N ATOM 11 CA SER A 2 -16.882 50.094 1.124 1.00 0.00 C ATOM 12 C SER A 2 -15.839 49.121 0.582 1.00 0.00 C ATOM 13 O SER A 2 -15.261 48.335 1.331 1.00 0.00 O ATOM 14 CB SER A 2 -16.231 51.053 2.123 1.00 0.00 C ATOM 15 OG SER A 2 -15.850 52.265 1.494 1.00 0.00 O ATOM 0 H SER A 2 -17.693 48.686 2.449 1.00 0.00 H new ATOM 0 HA SER A 2 -17.286 50.668 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.927 51.264 2.935 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.356 50.580 2.568 1.00 0.00 H new ATOM 0 HG SER A 2 -15.438 52.861 2.154 1.00 0.00 H new ATOM 21 N SER A 3 -15.605 49.179 -0.724 1.00 0.00 N ATOM 22 CA SER A 3 -14.633 48.302 -1.366 1.00 0.00 C ATOM 23 C SER A 3 -13.213 48.649 -0.927 1.00 0.00 C ATOM 24 O SER A 3 -12.606 49.588 -1.441 1.00 0.00 O ATOM 25 CB SER A 3 -14.749 48.405 -2.889 1.00 0.00 C ATOM 26 OG SER A 3 -14.656 47.127 -3.494 1.00 0.00 O ATOM 0 H SER A 3 -16.075 49.824 -1.359 1.00 0.00 H new ATOM 0 HA SER A 3 -14.848 47.278 -1.061 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.699 48.868 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.961 49.052 -3.274 1.00 0.00 H new ATOM 0 HG SER A 3 -14.735 47.219 -4.467 1.00 0.00 H new ATOM 32 N GLY A 4 -12.693 47.885 0.028 1.00 0.00 N ATOM 33 CA GLY A 4 -11.349 48.127 0.521 1.00 0.00 C ATOM 34 C GLY A 4 -11.298 48.240 2.031 1.00 0.00 C ATOM 35 O GLY A 4 -10.801 49.228 2.570 1.00 0.00 O ATOM 0 H GLY A 4 -13.177 47.103 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.695 47.317 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.962 49.045 0.078 1.00 0.00 H new ATOM 39 N SER A 5 -11.816 47.226 2.716 1.00 0.00 N ATOM 40 CA SER A 5 -11.830 47.215 4.175 1.00 0.00 C ATOM 41 C SER A 5 -10.458 46.843 4.729 1.00 0.00 C ATOM 42 O SER A 5 -10.030 47.367 5.757 1.00 0.00 O ATOM 43 CB SER A 5 -12.885 46.233 4.689 1.00 0.00 C ATOM 44 OG SER A 5 -14.188 46.641 4.311 1.00 0.00 O ATOM 0 H SER A 5 -12.232 46.401 2.284 1.00 0.00 H new ATOM 0 HA SER A 5 -12.081 48.218 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.683 45.238 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.823 46.163 5.775 1.00 0.00 H new ATOM 0 HG SER A 5 -14.844 45.996 4.650 1.00 0.00 H new ATOM 50 N SER A 6 -9.775 45.935 4.039 1.00 0.00 N ATOM 51 CA SER A 6 -8.451 45.491 4.462 1.00 0.00 C ATOM 52 C SER A 6 -7.424 45.717 3.358 1.00 0.00 C ATOM 53 O SER A 6 -7.775 45.830 2.183 1.00 0.00 O ATOM 54 CB SER A 6 -8.486 44.011 4.848 1.00 0.00 C ATOM 55 OG SER A 6 -9.485 43.318 4.122 1.00 0.00 O ATOM 0 H SER A 6 -10.116 45.493 3.185 1.00 0.00 H new ATOM 0 HA SER A 6 -8.158 46.079 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.513 43.559 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.677 43.915 5.917 1.00 0.00 H new ATOM 0 HG SER A 6 -9.486 42.374 4.386 1.00 0.00 H new ATOM 61 N GLY A 7 -6.154 45.782 3.743 1.00 0.00 N ATOM 62 CA GLY A 7 -5.094 45.994 2.774 1.00 0.00 C ATOM 63 C GLY A 7 -4.360 44.713 2.428 1.00 0.00 C ATOM 64 O GLY A 7 -4.838 43.915 1.622 1.00 0.00 O ATOM 0 H GLY A 7 -5.839 45.692 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.517 46.424 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.384 46.720 3.170 1.00 0.00 H new ATOM 68 N ASP A 8 -3.196 44.518 3.040 1.00 0.00 N ATOM 69 CA ASP A 8 -2.392 43.325 2.794 1.00 0.00 C ATOM 70 C ASP A 8 -1.946 43.260 1.337 1.00 0.00 C ATOM 71 O ASP A 8 -2.772 43.229 0.425 1.00 0.00 O ATOM 72 CB ASP A 8 -3.183 42.066 3.155 1.00 0.00 C ATOM 73 CG ASP A 8 -2.979 41.649 4.599 1.00 0.00 C ATOM 74 OD1 ASP A 8 -2.733 42.536 5.443 1.00 0.00 O ATOM 75 OD2 ASP A 8 -3.066 40.437 4.885 1.00 0.00 O ATOM 0 H ASP A 8 -2.788 45.170 3.710 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.505 43.380 3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.244 42.243 2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.882 41.250 2.498 1.00 0.00 H new ATOM 80 N ARG A 9 -0.634 43.237 1.126 1.00 0.00 N ATOM 81 CA ARG A 9 -0.077 43.174 -0.221 1.00 0.00 C ATOM 82 C ARG A 9 -0.349 41.817 -0.859 1.00 0.00 C ATOM 83 O ARG A 9 -0.878 41.736 -1.968 1.00 0.00 O ATOM 84 CB ARG A 9 1.429 43.442 -0.184 1.00 0.00 C ATOM 85 CG ARG A 9 1.803 44.710 0.566 1.00 0.00 C ATOM 86 CD ARG A 9 3.069 44.519 1.387 1.00 0.00 C ATOM 87 NE ARG A 9 3.892 45.726 1.412 1.00 0.00 N ATOM 88 CZ ARG A 9 3.622 46.792 2.162 1.00 0.00 C ATOM 89 NH1 ARG A 9 2.551 46.806 2.947 1.00 0.00 N ATOM 90 NH2 ARG A 9 4.424 47.847 2.127 1.00 0.00 N ATOM 0 H ARG A 9 0.063 43.261 1.870 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.561 43.942 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.929 42.593 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.803 43.511 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.948 45.524 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.983 45.001 1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.802 44.241 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.648 43.694 0.973 1.00 0.00 H new ATOM 0 HE ARG A 9 4.722 45.753 0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.930 45.997 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.349 47.626 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.248 47.842 1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.217 48.664 2.702 1.00 0.00 H new ATOM 104 N ARG A 10 0.015 40.752 -0.152 1.00 0.00 N ATOM 105 CA ARG A 10 -0.190 39.396 -0.651 1.00 0.00 C ATOM 106 C ARG A 10 -0.973 38.556 0.354 1.00 0.00 C ATOM 107 O ARG A 10 -0.860 37.330 0.373 1.00 0.00 O ATOM 108 CB ARG A 10 1.156 38.731 -0.947 1.00 0.00 C ATOM 109 CG ARG A 10 1.954 39.433 -2.035 1.00 0.00 C ATOM 110 CD ARG A 10 3.207 40.089 -1.474 1.00 0.00 C ATOM 111 NE ARG A 10 4.230 40.282 -2.500 1.00 0.00 N ATOM 112 CZ ARG A 10 4.209 41.269 -3.392 1.00 0.00 C ATOM 113 NH1 ARG A 10 3.222 42.155 -3.389 1.00 0.00 N ATOM 114 NH2 ARG A 10 5.180 41.371 -4.290 1.00 0.00 N ATOM 0 H ARG A 10 0.453 40.801 0.768 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.769 39.460 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.748 38.705 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.984 37.697 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.233 38.713 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.331 40.188 -2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.947 41.052 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.611 39.472 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 10 5.006 39.621 -2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.473 42.082 -2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.212 42.909 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.942 40.693 -4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.165 42.127 -4.974 1.00 0.00 H new ATOM 128 N SER A 11 -1.768 39.222 1.188 1.00 0.00 N ATOM 129 CA SER A 11 -2.570 38.535 2.195 1.00 0.00 C ATOM 130 C SER A 11 -1.692 37.676 3.101 1.00 0.00 C ATOM 131 O SER A 11 -0.498 37.510 2.849 1.00 0.00 O ATOM 132 CB SER A 11 -3.633 37.664 1.523 1.00 0.00 C ATOM 133 OG SER A 11 -4.537 37.134 2.477 1.00 0.00 O ATOM 0 H SER A 11 -1.873 40.237 1.186 1.00 0.00 H new ATOM 0 HA SER A 11 -3.061 39.291 2.807 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.180 38.255 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.151 36.849 0.982 1.00 0.00 H new ATOM 0 HG SER A 11 -5.207 36.583 2.022 1.00 0.00 H new ATOM 139 N THR A 12 -2.291 37.133 4.155 1.00 0.00 N ATOM 140 CA THR A 12 -1.565 36.290 5.097 1.00 0.00 C ATOM 141 C THR A 12 -1.939 34.823 4.916 1.00 0.00 C ATOM 142 O THR A 12 -2.803 34.301 5.620 1.00 0.00 O ATOM 143 CB THR A 12 -1.855 36.729 6.533 1.00 0.00 C ATOM 144 OG1 THR A 12 -3.240 36.965 6.716 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.118 37.989 6.935 1.00 0.00 C ATOM 0 H THR A 12 -3.278 37.262 4.378 1.00 0.00 H new ATOM 0 HA THR A 12 -0.499 36.401 4.898 1.00 0.00 H new ATOM 0 HB THR A 12 -1.508 35.908 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.748 36.183 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.369 38.244 7.965 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.044 37.824 6.853 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.410 38.807 6.277 1.00 0.00 H new ATOM 153 N LEU A 13 -1.284 34.164 3.965 1.00 0.00 N ATOM 154 CA LEU A 13 -1.549 32.757 3.690 1.00 0.00 C ATOM 155 C LEU A 13 -0.289 32.052 3.198 1.00 0.00 C ATOM 156 O LEU A 13 0.451 32.586 2.372 1.00 0.00 O ATOM 157 CB LEU A 13 -2.661 32.621 2.648 1.00 0.00 C ATOM 158 CG LEU A 13 -2.360 33.262 1.291 1.00 0.00 C ATOM 159 CD1 LEU A 13 -1.768 32.236 0.338 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.619 33.879 0.700 1.00 0.00 C ATOM 0 H LEU A 13 -0.567 34.582 3.373 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.869 32.285 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.866 31.562 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.571 33.067 3.050 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.628 34.056 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.560 32.709 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.842 31.842 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.477 31.421 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.385 34.330 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.375 33.105 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.000 34.645 1.375 1.00 0.00 H new ATOM 172 N HIS A 14 -0.051 30.849 3.712 1.00 0.00 N ATOM 173 CA HIS A 14 1.120 30.071 3.324 1.00 0.00 C ATOM 174 C HIS A 14 0.747 28.612 3.082 1.00 0.00 C ATOM 175 O HIS A 14 0.842 28.115 1.959 1.00 0.00 O ATOM 176 CB HIS A 14 2.201 30.164 4.405 1.00 0.00 C ATOM 177 CG HIS A 14 3.529 30.619 3.883 1.00 0.00 C ATOM 178 ND1 HIS A 14 3.679 31.710 3.053 1.00 0.00 N ATOM 179 CD2 HIS A 14 4.775 30.124 4.079 1.00 0.00 C ATOM 180 CE1 HIS A 14 4.958 31.866 2.759 1.00 0.00 C ATOM 181 NE2 HIS A 14 5.643 30.916 3.369 1.00 0.00 N ATOM 0 H HIS A 14 -0.653 30.393 4.397 1.00 0.00 H new ATOM 0 HA HIS A 14 1.511 30.485 2.394 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.869 30.853 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.319 29.188 4.875 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.036 29.267 4.681 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.372 32.638 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.654 30.791 3.320 1.00 0.00 H new ATOM 190 N LEU A 15 0.322 27.931 4.141 1.00 0.00 N ATOM 191 CA LEU A 15 -0.066 26.529 4.044 1.00 0.00 C ATOM 192 C LEU A 15 -1.472 26.314 4.596 1.00 0.00 C ATOM 193 O LEU A 15 -1.683 26.331 5.808 1.00 0.00 O ATOM 194 CB LEU A 15 0.935 25.647 4.796 1.00 0.00 C ATOM 195 CG LEU A 15 1.713 24.662 3.923 1.00 0.00 C ATOM 196 CD1 LEU A 15 2.882 25.358 3.243 1.00 0.00 C ATOM 197 CD2 LEU A 15 2.202 23.485 4.754 1.00 0.00 C ATOM 0 H LEU A 15 0.238 28.328 5.077 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.064 26.249 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.646 26.291 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.398 25.086 5.561 1.00 0.00 H new ATOM 0 HG LEU A 15 1.043 24.284 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.424 24.641 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.509 26.167 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.553 25.765 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.754 22.794 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.855 23.847 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.348 22.970 5.193 1.00 0.00 H new ATOM 209 N LEU A 16 -2.431 26.111 3.697 1.00 0.00 N ATOM 210 CA LEU A 16 -3.817 25.892 4.093 1.00 0.00 C ATOM 211 C LEU A 16 -4.518 24.949 3.122 1.00 0.00 C ATOM 212 O LEU A 16 -4.900 25.347 2.022 1.00 0.00 O ATOM 213 CB LEU A 16 -4.566 27.225 4.160 1.00 0.00 C ATOM 214 CG LEU A 16 -5.774 27.243 5.102 1.00 0.00 C ATOM 215 CD1 LEU A 16 -5.510 28.150 6.295 1.00 0.00 C ATOM 216 CD2 LEU A 16 -7.026 27.688 4.360 1.00 0.00 C ATOM 0 H LEU A 16 -2.273 26.094 2.689 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.819 25.432 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.868 28.001 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.903 27.486 3.157 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.935 26.230 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.380 28.149 6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.641 27.787 6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.320 29.165 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.873 27.694 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.875 28.691 3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.228 26.998 3.541 1.00 0.00 H new ATOM 228 N GLN A 17 -4.686 23.697 3.538 1.00 0.00 N ATOM 229 CA GLN A 17 -5.342 22.698 2.704 1.00 0.00 C ATOM 230 C GLN A 17 -6.004 21.623 3.562 1.00 0.00 C ATOM 231 O GLN A 17 -7.178 21.303 3.376 1.00 0.00 O ATOM 232 CB GLN A 17 -4.331 22.055 1.751 1.00 0.00 C ATOM 233 CG GLN A 17 -4.303 22.697 0.373 1.00 0.00 C ATOM 234 CD GLN A 17 -5.467 22.262 -0.496 1.00 0.00 C ATOM 235 OE1 GLN A 17 -5.725 21.069 -0.657 1.00 0.00 O ATOM 236 NE2 GLN A 17 -6.177 23.231 -1.062 1.00 0.00 N ATOM 0 H GLN A 17 -4.377 23.352 4.447 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.114 23.199 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.336 22.118 2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.566 20.996 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.320 23.782 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.367 22.441 -0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.927 24.207 -0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.972 22.999 -1.658 1.00 0.00 H new ATOM 245 N GLY A 18 -5.243 21.073 4.502 1.00 0.00 N ATOM 246 CA GLY A 18 -5.774 20.041 5.375 1.00 0.00 C ATOM 247 C GLY A 18 -4.863 18.832 5.463 1.00 0.00 C ATOM 248 O GLY A 18 -4.235 18.594 6.494 1.00 0.00 O ATOM 0 H GLY A 18 -4.269 21.322 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.922 20.454 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.753 19.729 5.011 1.00 0.00 H new ATOM 252 N GLY A 19 -4.792 18.067 4.378 1.00 0.00 N ATOM 253 CA GLY A 19 -3.951 16.885 4.359 1.00 0.00 C ATOM 254 C GLY A 19 -4.482 15.779 5.249 1.00 0.00 C ATOM 255 O GLY A 19 -3.943 15.528 6.327 1.00 0.00 O ATOM 0 H GLY A 19 -5.302 18.245 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.871 16.517 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.945 17.154 4.681 1.00 0.00 H new ATOM 259 N ASP A 20 -5.543 15.117 4.799 1.00 0.00 N ATOM 260 CA ASP A 20 -6.148 14.032 5.562 1.00 0.00 C ATOM 261 C ASP A 20 -5.722 12.676 5.011 1.00 0.00 C ATOM 262 O ASP A 20 -5.205 12.581 3.898 1.00 0.00 O ATOM 263 CB ASP A 20 -7.672 14.151 5.535 1.00 0.00 C ATOM 264 CG ASP A 20 -8.332 13.392 6.670 1.00 0.00 C ATOM 265 OD1 ASP A 20 -7.681 13.213 7.721 1.00 0.00 O ATOM 266 OD2 ASP A 20 -9.499 12.978 6.508 1.00 0.00 O ATOM 0 H ASP A 20 -6.002 15.313 3.909 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.803 14.109 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.953 15.203 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.046 13.774 4.583 1.00 0.00 H new ATOM 271 N GLU A 21 -5.941 11.627 5.798 1.00 0.00 N ATOM 272 CA GLU A 21 -5.579 10.275 5.389 1.00 0.00 C ATOM 273 C GLU A 21 -6.802 9.513 4.887 1.00 0.00 C ATOM 274 O GLU A 21 -7.824 9.442 5.569 1.00 0.00 O ATOM 275 CB GLU A 21 -4.936 9.522 6.556 1.00 0.00 C ATOM 276 CG GLU A 21 -3.417 9.563 6.543 1.00 0.00 C ATOM 277 CD GLU A 21 -2.862 10.824 7.175 1.00 0.00 C ATOM 278 OE1 GLU A 21 -3.241 11.127 8.327 1.00 0.00 O ATOM 279 OE2 GLU A 21 -2.049 11.510 6.520 1.00 0.00 O ATOM 0 H GLU A 21 -6.367 11.688 6.723 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.860 10.348 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.295 9.947 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.263 8.483 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.029 8.694 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.064 9.491 5.514 1.00 0.00 H new ATOM 286 N LYS A 22 -6.689 8.946 3.691 1.00 0.00 N ATOM 287 CA LYS A 22 -7.783 8.188 3.097 1.00 0.00 C ATOM 288 C LYS A 22 -7.406 6.720 2.937 1.00 0.00 C ATOM 289 O LYS A 22 -6.408 6.392 2.294 1.00 0.00 O ATOM 290 CB LYS A 22 -8.162 8.781 1.738 1.00 0.00 C ATOM 291 CG LYS A 22 -9.468 8.236 1.179 1.00 0.00 C ATOM 292 CD LYS A 22 -9.812 8.875 -0.158 1.00 0.00 C ATOM 293 CE LYS A 22 -9.548 7.924 -1.314 1.00 0.00 C ATOM 294 NZ LYS A 22 -8.121 7.947 -1.739 1.00 0.00 N ATOM 0 H LYS A 22 -5.850 8.997 3.114 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.641 8.252 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.241 9.864 1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.360 8.581 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.390 7.156 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.274 8.420 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.861 9.171 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.224 9.783 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.823 6.911 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.182 8.194 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.069 7.988 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.652 8.783 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.645 7.086 -1.402 1.00 0.00 H new ATOM 308 N LYS A 23 -8.209 5.840 3.524 1.00 0.00 N ATOM 309 CA LYS A 23 -7.959 4.405 3.447 1.00 0.00 C ATOM 310 C LYS A 23 -8.957 3.727 2.513 1.00 0.00 C ATOM 311 O LYS A 23 -10.166 3.784 2.736 1.00 0.00 O ATOM 312 CB LYS A 23 -8.035 3.778 4.841 1.00 0.00 C ATOM 313 CG LYS A 23 -6.866 2.860 5.160 1.00 0.00 C ATOM 314 CD LYS A 23 -7.067 2.139 6.484 1.00 0.00 C ATOM 315 CE LYS A 23 -5.805 2.165 7.332 1.00 0.00 C ATOM 316 NZ LYS A 23 -5.864 3.217 8.383 1.00 0.00 N ATOM 0 H LYS A 23 -9.039 6.095 4.059 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.957 4.256 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.076 4.573 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.963 3.213 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.748 2.128 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.945 3.442 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.885 2.606 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.359 1.106 6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.662 1.191 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.941 2.340 6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.985 3.202 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.974 4.149 7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.674 3.036 9.010 1.00 0.00 H new ATOM 330 N VAL A 24 -8.442 3.089 1.468 1.00 0.00 N ATOM 331 CA VAL A 24 -9.287 2.400 0.501 1.00 0.00 C ATOM 332 C VAL A 24 -9.045 0.894 0.532 1.00 0.00 C ATOM 333 O VAL A 24 -7.976 0.420 0.151 1.00 0.00 O ATOM 334 CB VAL A 24 -9.042 2.917 -0.929 1.00 0.00 C ATOM 335 CG1 VAL A 24 -10.066 2.336 -1.892 1.00 0.00 C ATOM 336 CG2 VAL A 24 -9.073 4.438 -0.960 1.00 0.00 C ATOM 0 H VAL A 24 -7.443 3.035 1.269 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.320 2.606 0.782 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.052 2.590 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.876 2.713 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.989 1.249 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.068 2.629 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.898 4.785 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.047 4.789 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.296 4.831 -0.304 1.00 0.00 H new ATOM 346 N ASN A 25 -10.046 0.149 0.988 1.00 0.00 N ATOM 347 CA ASN A 25 -9.941 -1.304 1.070 1.00 0.00 C ATOM 348 C ASN A 25 -10.511 -1.960 -0.184 1.00 0.00 C ATOM 349 O ASN A 25 -11.587 -1.592 -0.656 1.00 0.00 O ATOM 350 CB ASN A 25 -10.675 -1.820 2.308 1.00 0.00 C ATOM 351 CG ASN A 25 -12.134 -1.413 2.327 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.474 -0.263 2.048 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.008 -2.357 2.660 1.00 0.00 N ATOM 0 H ASN A 25 -10.939 0.526 1.306 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.885 -1.564 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.604 -2.907 2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.183 -1.440 3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.004 -2.141 2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.682 -3.297 2.884 1.00 0.00 H new ATOM 360 N LEU A 26 -9.782 -2.935 -0.718 1.00 0.00 N ATOM 361 CA LEU A 26 -10.215 -3.643 -1.918 1.00 0.00 C ATOM 362 C LEU A 26 -10.013 -5.148 -1.763 1.00 0.00 C ATOM 363 O LEU A 26 -8.970 -5.598 -1.291 1.00 0.00 O ATOM 364 CB LEU A 26 -9.448 -3.136 -3.140 1.00 0.00 C ATOM 365 CG LEU A 26 -9.427 -1.616 -3.306 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.364 -1.203 -4.312 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.795 -1.109 -3.736 1.00 0.00 C ATOM 0 H LEU A 26 -8.890 -3.253 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.278 -3.450 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.420 -3.494 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.887 -3.578 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.180 -1.168 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.364 -0.118 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.385 -1.534 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.579 -1.661 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.762 -0.025 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.070 -1.565 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.535 -1.372 -2.980 1.00 0.00 H new ATOM 379 N VAL A 27 -11.019 -5.918 -2.164 1.00 0.00 N ATOM 380 CA VAL A 27 -10.952 -7.372 -2.072 1.00 0.00 C ATOM 381 C VAL A 27 -10.811 -8.005 -3.452 1.00 0.00 C ATOM 382 O VAL A 27 -11.802 -8.213 -4.153 1.00 0.00 O ATOM 383 CB VAL A 27 -12.200 -7.948 -1.379 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.025 -9.435 -1.112 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.490 -7.198 -0.088 1.00 0.00 C ATOM 0 H VAL A 27 -11.890 -5.560 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.072 -7.611 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.053 -7.820 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.917 -9.824 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.872 -9.959 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.160 -9.590 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.376 -7.620 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.638 -7.290 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.664 -6.145 -0.310 1.00 0.00 H new ATOM 395 N LEU A 28 -9.576 -8.309 -3.836 1.00 0.00 N ATOM 396 CA LEU A 28 -9.307 -8.920 -5.132 1.00 0.00 C ATOM 397 C LEU A 28 -9.851 -10.344 -5.187 1.00 0.00 C ATOM 398 O LEU A 28 -9.688 -11.117 -4.242 1.00 0.00 O ATOM 399 CB LEU A 28 -7.804 -8.924 -5.416 1.00 0.00 C ATOM 400 CG LEU A 28 -7.145 -7.544 -5.437 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.640 -7.669 -5.255 1.00 0.00 C ATOM 402 CD2 LEU A 28 -7.468 -6.820 -6.735 1.00 0.00 C ATOM 0 H LEU A 28 -8.745 -8.142 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.812 -8.328 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.309 -9.535 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.633 -9.406 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.543 -6.959 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.188 -6.677 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.428 -8.148 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.225 -8.272 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.991 -5.840 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.097 -7.402 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.547 -6.698 -6.825 1.00 0.00 H new ATOM 414 N GLY A 29 -10.496 -10.683 -6.297 1.00 0.00 N ATOM 415 CA GLY A 29 -11.054 -12.014 -6.453 1.00 0.00 C ATOM 416 C GLY A 29 -9.995 -13.050 -6.778 1.00 0.00 C ATOM 417 O GLY A 29 -9.266 -13.501 -5.895 1.00 0.00 O ATOM 0 H GLY A 29 -10.643 -10.061 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.568 -12.299 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.801 -12.001 -7.246 1.00 0.00 H new ATOM 421 N ASP A 30 -9.912 -13.429 -8.050 1.00 0.00 N ATOM 422 CA ASP A 30 -8.936 -14.419 -8.490 1.00 0.00 C ATOM 423 C ASP A 30 -8.247 -13.971 -9.774 1.00 0.00 C ATOM 424 O ASP A 30 -8.808 -14.089 -10.864 1.00 0.00 O ATOM 425 CB ASP A 30 -9.613 -15.774 -8.706 1.00 0.00 C ATOM 426 CG ASP A 30 -9.990 -16.447 -7.401 1.00 0.00 C ATOM 427 OD1 ASP A 30 -9.109 -16.581 -6.526 1.00 0.00 O ATOM 428 OD2 ASP A 30 -11.167 -16.840 -7.254 1.00 0.00 O ATOM 0 H ASP A 30 -10.509 -13.065 -8.793 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.181 -14.519 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.508 -15.637 -9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.944 -16.426 -9.268 1.00 0.00 H new ATOM 433 N GLY A 31 -7.030 -13.456 -9.639 1.00 0.00 N ATOM 434 CA GLY A 31 -6.285 -12.998 -10.797 1.00 0.00 C ATOM 435 C GLY A 31 -6.557 -11.542 -11.122 1.00 0.00 C ATOM 436 O GLY A 31 -6.578 -11.154 -12.290 1.00 0.00 O ATOM 0 H GLY A 31 -6.546 -13.347 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.219 -13.134 -10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.543 -13.614 -11.658 1.00 0.00 H new ATOM 440 N ARG A 32 -6.766 -10.737 -10.087 1.00 0.00 N ATOM 441 CA ARG A 32 -7.037 -9.314 -10.267 1.00 0.00 C ATOM 442 C ARG A 32 -5.810 -8.479 -9.923 1.00 0.00 C ATOM 443 O ARG A 32 -4.790 -9.008 -9.482 1.00 0.00 O ATOM 444 CB ARG A 32 -8.221 -8.886 -9.399 1.00 0.00 C ATOM 445 CG ARG A 32 -9.483 -9.701 -9.644 1.00 0.00 C ATOM 446 CD ARG A 32 -10.694 -8.807 -9.854 1.00 0.00 C ATOM 447 NE ARG A 32 -11.887 -9.576 -10.205 1.00 0.00 N ATOM 448 CZ ARG A 32 -12.966 -9.049 -10.781 1.00 0.00 C ATOM 449 NH1 ARG A 32 -13.006 -7.754 -11.072 1.00 0.00 N ATOM 450 NH2 ARG A 32 -14.007 -9.818 -11.067 1.00 0.00 N ATOM 0 H ARG A 32 -6.753 -11.044 -9.114 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.285 -9.146 -11.315 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.941 -8.972 -8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.436 -7.834 -9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.343 -10.336 -10.519 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.661 -10.362 -8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.885 -8.236 -8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.481 -8.087 -10.644 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.893 -10.574 -9.997 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.208 -7.158 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.835 -7.356 -11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.982 -10.813 -10.846 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.833 -9.414 -11.508 1.00 0.00 H new ATOM 464 N SER A 33 -5.914 -7.170 -10.127 1.00 0.00 N ATOM 465 CA SER A 33 -4.811 -6.260 -9.837 1.00 0.00 C ATOM 466 C SER A 33 -5.301 -4.818 -9.755 1.00 0.00 C ATOM 467 O SER A 33 -6.293 -4.452 -10.386 1.00 0.00 O ATOM 468 CB SER A 33 -3.727 -6.383 -10.910 1.00 0.00 C ATOM 469 OG SER A 33 -2.745 -7.333 -10.535 1.00 0.00 O ATOM 0 H SER A 33 -6.751 -6.715 -10.492 1.00 0.00 H new ATOM 0 HA SER A 33 -4.390 -6.536 -8.870 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.180 -6.677 -11.857 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.257 -5.413 -11.070 1.00 0.00 H new ATOM 0 HG SER A 33 -3.179 -8.099 -10.104 1.00 0.00 H new ATOM 475 N LEU A 34 -4.598 -4.004 -8.975 1.00 0.00 N ATOM 476 CA LEU A 34 -4.959 -2.600 -8.810 1.00 0.00 C ATOM 477 C LEU A 34 -4.870 -1.857 -10.139 1.00 0.00 C ATOM 478 O LEU A 34 -5.622 -0.914 -10.385 1.00 0.00 O ATOM 479 CB LEU A 34 -4.048 -1.936 -7.777 1.00 0.00 C ATOM 480 CG LEU A 34 -3.998 -2.632 -6.415 1.00 0.00 C ATOM 481 CD1 LEU A 34 -2.583 -2.620 -5.857 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.962 -1.967 -5.443 1.00 0.00 C ATOM 0 H LEU A 34 -3.774 -4.292 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.989 -2.553 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.037 -1.891 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.379 -0.908 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.303 -3.670 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.570 -3.120 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.917 -3.142 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.247 -1.590 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.914 -2.474 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.687 -0.920 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.977 -2.030 -5.836 1.00 0.00 H new ATOM 494 N GLY A 35 -3.945 -2.286 -10.991 1.00 0.00 N ATOM 495 CA GLY A 35 -3.773 -1.649 -12.283 1.00 0.00 C ATOM 496 C GLY A 35 -3.329 -0.204 -12.164 1.00 0.00 C ATOM 497 O GLY A 35 -3.728 0.642 -12.964 1.00 0.00 O ATOM 0 H GLY A 35 -3.311 -3.064 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.037 -2.205 -12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.713 -1.693 -12.834 1.00 0.00 H new ATOM 501 N LEU A 36 -2.503 0.078 -11.163 1.00 0.00 N ATOM 502 CA LEU A 36 -2.004 1.430 -10.941 1.00 0.00 C ATOM 503 C LEU A 36 -0.556 1.558 -11.400 1.00 0.00 C ATOM 504 O LEU A 36 0.177 0.571 -11.459 1.00 0.00 O ATOM 505 CB LEU A 36 -2.118 1.801 -9.461 1.00 0.00 C ATOM 506 CG LEU A 36 -3.483 2.339 -9.030 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.506 2.595 -7.531 1.00 0.00 C ATOM 508 CD2 LEU A 36 -3.819 3.610 -9.794 1.00 0.00 C ATOM 0 H LEU A 36 -2.165 -0.612 -10.492 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.613 2.117 -11.528 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.887 0.920 -8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.360 2.550 -9.231 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.239 1.588 -9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.485 2.978 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.309 1.664 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.740 3.327 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.794 3.979 -9.475 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.061 4.367 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.844 3.396 -10.863 1.00 0.00 H new ATOM 520 N THR A 37 -0.149 2.782 -11.723 1.00 0.00 N ATOM 521 CA THR A 37 1.212 3.040 -12.177 1.00 0.00 C ATOM 522 C THR A 37 1.970 3.892 -11.164 1.00 0.00 C ATOM 523 O THR A 37 2.139 5.097 -11.354 1.00 0.00 O ATOM 524 CB THR A 37 1.195 3.740 -13.537 1.00 0.00 C ATOM 525 OG1 THR A 37 0.237 3.146 -14.395 1.00 0.00 O ATOM 526 CG2 THR A 37 2.532 3.702 -14.247 1.00 0.00 C ATOM 0 H THR A 37 -0.743 3.610 -11.679 1.00 0.00 H new ATOM 0 HA THR A 37 1.723 2.082 -12.276 1.00 0.00 H new ATOM 0 HB THR A 37 0.944 4.779 -13.323 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.348 3.498 -15.303 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.450 4.216 -15.205 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.284 4.197 -13.633 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.825 2.666 -14.415 1.00 0.00 H new ATOM 534 N ILE A 38 2.424 3.259 -10.087 1.00 0.00 N ATOM 535 CA ILE A 38 3.162 3.959 -9.044 1.00 0.00 C ATOM 536 C ILE A 38 4.582 4.284 -9.498 1.00 0.00 C ATOM 537 O ILE A 38 5.061 3.750 -10.499 1.00 0.00 O ATOM 538 CB ILE A 38 3.228 3.129 -7.748 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.856 1.761 -8.023 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.839 2.969 -7.149 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.169 0.976 -6.769 1.00 0.00 C ATOM 0 H ILE A 38 2.293 2.262 -9.915 1.00 0.00 H new ATOM 0 HA ILE A 38 2.625 4.887 -8.846 1.00 0.00 H new ATOM 0 HB ILE A 38 3.854 3.657 -7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.178 1.178 -8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.774 1.900 -8.593 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.903 2.380 -6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.426 3.951 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.191 2.460 -7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.612 0.018 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.871 1.538 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.250 0.805 -6.208 1.00 0.00 H new ATOM 553 N ARG A 39 5.250 5.160 -8.755 1.00 0.00 N ATOM 554 CA ARG A 39 6.615 5.555 -9.081 1.00 0.00 C ATOM 555 C ARG A 39 7.437 5.768 -7.814 1.00 0.00 C ATOM 556 O ARG A 39 6.921 5.659 -6.702 1.00 0.00 O ATOM 557 CB ARG A 39 6.611 6.833 -9.923 1.00 0.00 C ATOM 558 CG ARG A 39 5.666 7.903 -9.399 1.00 0.00 C ATOM 559 CD ARG A 39 5.919 9.244 -10.068 1.00 0.00 C ATOM 560 NE ARG A 39 7.111 9.902 -9.540 1.00 0.00 N ATOM 561 CZ ARG A 39 7.365 11.201 -9.682 1.00 0.00 C ATOM 562 NH1 ARG A 39 6.514 11.984 -10.334 1.00 0.00 N ATOM 563 NH2 ARG A 39 8.474 11.720 -9.171 1.00 0.00 N ATOM 0 H ARG A 39 4.868 5.610 -7.923 1.00 0.00 H new ATOM 0 HA ARG A 39 7.072 4.751 -9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.622 7.238 -9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.332 6.583 -10.947 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.635 7.597 -9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.790 8.004 -8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.031 9.098 -11.142 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.054 9.891 -9.923 1.00 0.00 H new ATOM 0 HE ARG A 39 7.789 9.333 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.660 11.591 -10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.714 12.979 -10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.132 11.124 -8.669 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.669 12.715 -9.280 1.00 0.00 H new ATOM 577 N GLY A 40 8.718 6.073 -7.991 1.00 0.00 N ATOM 578 CA GLY A 40 9.590 6.297 -6.852 1.00 0.00 C ATOM 579 C GLY A 40 9.674 5.088 -5.940 1.00 0.00 C ATOM 580 O GLY A 40 8.849 4.178 -6.028 1.00 0.00 O ATOM 0 H GLY A 40 9.168 6.169 -8.901 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.589 6.551 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.227 7.153 -6.283 1.00 0.00 H new ATOM 584 N GLY A 41 10.672 5.079 -5.062 1.00 0.00 N ATOM 585 CA GLY A 41 10.839 3.968 -4.144 1.00 0.00 C ATOM 586 C GLY A 41 11.859 4.260 -3.060 1.00 0.00 C ATOM 587 O GLY A 41 12.371 5.375 -2.964 1.00 0.00 O ATOM 0 H GLY A 41 11.367 5.820 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.880 3.735 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.148 3.084 -4.701 1.00 0.00 H new ATOM 591 N ALA A 42 12.154 3.255 -2.243 1.00 0.00 N ATOM 592 CA ALA A 42 13.119 3.407 -1.160 1.00 0.00 C ATOM 593 C ALA A 42 14.543 3.520 -1.696 1.00 0.00 C ATOM 594 O ALA A 42 15.429 4.041 -1.019 1.00 0.00 O ATOM 595 CB ALA A 42 13.009 2.238 -0.191 1.00 0.00 C ATOM 0 H ALA A 42 11.739 2.326 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 42 12.888 4.331 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.734 2.362 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.004 2.207 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.210 1.307 -0.720 1.00 0.00 H new ATOM 601 N GLU A 43 14.759 3.029 -2.913 1.00 0.00 N ATOM 602 CA GLU A 43 16.078 3.077 -3.532 1.00 0.00 C ATOM 603 C GLU A 43 16.203 4.275 -4.468 1.00 0.00 C ATOM 604 O GLU A 43 16.965 4.243 -5.434 1.00 0.00 O ATOM 605 CB GLU A 43 16.349 1.784 -4.304 1.00 0.00 C ATOM 606 CG GLU A 43 17.794 1.319 -4.224 1.00 0.00 C ATOM 607 CD GLU A 43 18.253 0.623 -5.491 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.526 1.324 -6.488 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.339 -0.623 -5.485 1.00 0.00 O ATOM 0 H GLU A 43 14.038 2.594 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 43 16.817 3.183 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.701 0.997 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.081 1.932 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.438 2.177 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.907 0.640 -3.379 1.00 0.00 H new ATOM 616 N TYR A 44 15.451 5.333 -4.178 1.00 0.00 N ATOM 617 CA TYR A 44 15.482 6.539 -4.996 1.00 0.00 C ATOM 618 C TYR A 44 15.248 7.788 -4.149 1.00 0.00 C ATOM 619 O TYR A 44 14.873 8.839 -4.670 1.00 0.00 O ATOM 620 CB TYR A 44 14.429 6.455 -6.102 1.00 0.00 C ATOM 621 CG TYR A 44 14.640 5.298 -7.052 1.00 0.00 C ATOM 622 CD1 TYR A 44 15.700 5.295 -7.950 1.00 0.00 C ATOM 623 CD2 TYR A 44 13.780 4.207 -7.050 1.00 0.00 C ATOM 624 CE1 TYR A 44 15.896 4.240 -8.820 1.00 0.00 C ATOM 625 CE2 TYR A 44 13.970 3.147 -7.916 1.00 0.00 C ATOM 626 CZ TYR A 44 15.029 3.169 -8.799 1.00 0.00 C ATOM 627 OH TYR A 44 15.221 2.115 -9.662 1.00 0.00 O ATOM 0 H TYR A 44 14.814 5.379 -3.383 1.00 0.00 H new ATOM 0 HA TYR A 44 16.472 6.613 -5.446 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.443 6.365 -5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.435 7.386 -6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.383 6.132 -7.968 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.949 4.187 -6.360 1.00 0.00 H new ATOM 0 HE1 TYR A 44 16.724 4.254 -9.513 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.293 2.306 -7.901 1.00 0.00 H new ATOM 0 HH TYR A 44 14.523 1.442 -9.517 1.00 0.00 H new ATOM 637 N GLY A 45 15.471 7.670 -2.842 1.00 0.00 N ATOM 638 CA GLY A 45 15.279 8.800 -1.949 1.00 0.00 C ATOM 639 C GLY A 45 13.935 9.478 -2.140 1.00 0.00 C ATOM 640 O GLY A 45 13.789 10.669 -1.868 1.00 0.00 O ATOM 0 H GLY A 45 15.781 6.812 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.366 8.461 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.074 9.527 -2.114 1.00 0.00 H new ATOM 644 N LEU A 46 12.953 8.717 -2.612 1.00 0.00 N ATOM 645 CA LEU A 46 11.615 9.252 -2.841 1.00 0.00 C ATOM 646 C LEU A 46 10.549 8.298 -2.315 1.00 0.00 C ATOM 647 O LEU A 46 10.808 7.112 -2.109 1.00 0.00 O ATOM 648 CB LEU A 46 11.396 9.508 -4.334 1.00 0.00 C ATOM 649 CG LEU A 46 10.099 10.243 -4.680 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.088 11.628 -4.051 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.929 10.338 -6.188 1.00 0.00 C ATOM 0 H LEU A 46 13.058 7.729 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 46 11.530 10.195 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.237 10.087 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.405 8.551 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 46 9.261 9.676 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.159 12.137 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.165 11.536 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.933 12.205 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.002 10.863 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.770 10.883 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.893 9.335 -6.614 1.00 0.00 H new ATOM 663 N GLY A 47 9.347 8.823 -2.100 1.00 0.00 N ATOM 664 CA GLY A 47 8.258 8.005 -1.600 1.00 0.00 C ATOM 665 C GLY A 47 7.509 7.296 -2.711 1.00 0.00 C ATOM 666 O GLY A 47 8.006 7.187 -3.832 1.00 0.00 O ATOM 0 H GLY A 47 9.108 9.801 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.653 7.266 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.564 8.632 -1.040 1.00 0.00 H new ATOM 670 N ILE A 48 6.309 6.816 -2.401 1.00 0.00 N ATOM 671 CA ILE A 48 5.491 6.114 -3.382 1.00 0.00 C ATOM 672 C ILE A 48 4.336 6.989 -3.859 1.00 0.00 C ATOM 673 O ILE A 48 3.464 7.366 -3.076 1.00 0.00 O ATOM 674 CB ILE A 48 4.922 4.804 -2.805 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.033 3.991 -2.139 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.248 3.992 -3.900 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.098 3.519 -3.103 1.00 0.00 C ATOM 0 H ILE A 48 5.882 6.901 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 48 6.140 5.879 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 48 4.175 5.050 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.500 4.597 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.592 3.125 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.851 3.069 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.434 4.572 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.976 3.752 -4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.853 2.949 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.644 2.886 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.566 4.381 -3.579 1.00 0.00 H new ATOM 689 N TYR A 49 4.338 7.311 -5.149 1.00 0.00 N ATOM 690 CA TYR A 49 3.292 8.142 -5.732 1.00 0.00 C ATOM 691 C TYR A 49 2.501 7.367 -6.781 1.00 0.00 C ATOM 692 O TYR A 49 2.744 6.180 -7.005 1.00 0.00 O ATOM 693 CB TYR A 49 3.901 9.397 -6.361 1.00 0.00 C ATOM 694 CG TYR A 49 4.586 10.302 -5.363 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.905 10.078 -4.984 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.916 11.380 -4.798 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.535 10.902 -4.072 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.540 12.210 -3.886 1.00 0.00 C ATOM 699 CZ TYR A 49 5.848 11.967 -3.526 1.00 0.00 C ATOM 700 OH TYR A 49 6.473 12.790 -2.618 1.00 0.00 O ATOM 0 H TYR A 49 5.053 7.008 -5.810 1.00 0.00 H new ATOM 0 HA TYR A 49 2.610 8.437 -4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.621 9.099 -7.123 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.115 9.957 -6.868 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.446 9.246 -5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.890 11.573 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.560 10.714 -3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.005 13.045 -3.458 1.00 0.00 H new ATOM 0 HH TYR A 49 5.852 13.492 -2.331 1.00 0.00 H new ATOM 710 N ILE A 50 1.553 8.044 -7.421 1.00 0.00 N ATOM 711 CA ILE A 50 0.727 7.420 -8.446 1.00 0.00 C ATOM 712 C ILE A 50 0.636 8.298 -9.689 1.00 0.00 C ATOM 713 O ILE A 50 0.644 9.526 -9.596 1.00 0.00 O ATOM 714 CB ILE A 50 -0.696 7.136 -7.926 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.636 6.411 -6.580 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.478 6.316 -8.942 1.00 0.00 C ATOM 717 CD1 ILE A 50 -1.916 6.516 -5.780 1.00 0.00 C ATOM 0 H ILE A 50 1.338 9.026 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 50 1.206 6.476 -8.706 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.210 8.086 -7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.410 5.359 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.185 6.821 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.481 6.124 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.546 6.868 -9.880 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.968 5.368 -9.115 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.802 5.979 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.133 7.565 -5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.737 6.080 -6.349 1.00 0.00 H new ATOM 729 N THR A 51 0.549 7.662 -10.852 1.00 0.00 N ATOM 730 CA THR A 51 0.458 8.386 -12.115 1.00 0.00 C ATOM 731 C THR A 51 -0.075 7.482 -13.222 1.00 0.00 C ATOM 732 O THR A 51 0.385 7.545 -14.363 1.00 0.00 O ATOM 733 CB THR A 51 1.827 8.943 -12.507 1.00 0.00 C ATOM 734 OG1 THR A 51 1.738 9.697 -13.703 1.00 0.00 O ATOM 735 CG2 THR A 51 2.872 7.867 -12.718 1.00 0.00 C ATOM 0 H THR A 51 0.540 6.646 -10.947 1.00 0.00 H new ATOM 0 HA THR A 51 -0.238 9.215 -11.982 1.00 0.00 H new ATOM 0 HB THR A 51 2.136 9.568 -11.669 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.365 9.137 -14.416 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.820 8.329 -12.994 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.000 7.299 -11.797 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.549 7.198 -13.515 1.00 0.00 H new ATOM 743 N GLY A 52 -1.047 6.645 -12.879 1.00 0.00 N ATOM 744 CA GLY A 52 -1.627 5.741 -13.857 1.00 0.00 C ATOM 745 C GLY A 52 -2.712 4.864 -13.265 1.00 0.00 C ATOM 746 O GLY A 52 -2.553 4.322 -12.171 1.00 0.00 O ATOM 0 H GLY A 52 -1.444 6.575 -11.942 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.042 6.321 -14.681 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.842 5.110 -14.274 1.00 0.00 H new ATOM 750 N VAL A 53 -3.817 4.724 -13.990 1.00 0.00 N ATOM 751 CA VAL A 53 -4.934 3.907 -13.529 1.00 0.00 C ATOM 752 C VAL A 53 -5.505 3.068 -14.668 1.00 0.00 C ATOM 753 O VAL A 53 -5.839 3.591 -15.731 1.00 0.00 O ATOM 754 CB VAL A 53 -6.058 4.774 -12.933 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.119 3.901 -12.282 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.490 5.772 -11.936 1.00 0.00 C ATOM 0 H VAL A 53 -3.963 5.165 -14.898 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.545 3.248 -12.753 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.529 5.333 -13.742 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.905 4.532 -11.867 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.547 3.232 -13.028 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.666 3.312 -11.484 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.299 6.376 -11.525 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.991 5.236 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.772 6.420 -12.439 1.00 0.00 H new ATOM 766 N ASP A 54 -5.616 1.764 -14.438 1.00 0.00 N ATOM 767 CA ASP A 54 -6.147 0.852 -15.444 1.00 0.00 C ATOM 768 C ASP A 54 -7.577 1.232 -15.822 1.00 0.00 C ATOM 769 O ASP A 54 -8.325 1.764 -15.002 1.00 0.00 O ATOM 770 CB ASP A 54 -6.108 -0.588 -14.929 1.00 0.00 C ATOM 771 CG ASP A 54 -4.892 -1.346 -15.423 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.765 -0.986 -15.023 1.00 0.00 O ATOM 773 OD2 ASP A 54 -5.066 -2.300 -16.210 1.00 0.00 O ATOM 0 H ASP A 54 -5.345 1.315 -13.563 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.522 0.928 -16.334 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.110 -0.581 -13.839 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.011 -1.109 -15.247 1.00 0.00 H new ATOM 778 N PRO A 55 -7.977 0.963 -17.077 1.00 0.00 N ATOM 779 CA PRO A 55 -9.325 1.279 -17.561 1.00 0.00 C ATOM 780 C PRO A 55 -10.389 0.381 -16.941 1.00 0.00 C ATOM 781 O PRO A 55 -10.669 -0.706 -17.445 1.00 0.00 O ATOM 782 CB PRO A 55 -9.228 1.030 -19.068 1.00 0.00 C ATOM 783 CG PRO A 55 -8.134 0.031 -19.217 1.00 0.00 C ATOM 784 CD PRO A 55 -7.149 0.329 -18.121 1.00 0.00 C ATOM 0 HA PRO A 55 -9.623 2.295 -17.301 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.168 0.650 -19.468 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.001 1.950 -19.607 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.519 -0.985 -19.130 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.663 0.111 -20.197 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.668 -0.578 -17.756 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.356 0.994 -18.464 1.00 0.00 H new ATOM 792 N GLY A 56 -10.979 0.843 -15.843 1.00 0.00 N ATOM 793 CA GLY A 56 -12.007 0.069 -15.172 1.00 0.00 C ATOM 794 C GLY A 56 -11.428 -0.997 -14.262 1.00 0.00 C ATOM 795 O GLY A 56 -11.953 -2.108 -14.185 1.00 0.00 O ATOM 0 H GLY A 56 -10.764 1.739 -15.406 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.638 0.738 -14.587 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.647 -0.402 -15.917 1.00 0.00 H new ATOM 799 N SER A 57 -10.344 -0.660 -13.573 1.00 0.00 N ATOM 800 CA SER A 57 -9.694 -1.596 -12.663 1.00 0.00 C ATOM 801 C SER A 57 -10.274 -1.482 -11.257 1.00 0.00 C ATOM 802 O SER A 57 -11.146 -0.652 -11.000 1.00 0.00 O ATOM 803 CB SER A 57 -8.186 -1.341 -12.628 1.00 0.00 C ATOM 804 OG SER A 57 -7.902 0.047 -12.686 1.00 0.00 O ATOM 0 H SER A 57 -9.896 0.255 -13.627 1.00 0.00 H new ATOM 0 HA SER A 57 -9.877 -2.606 -13.030 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.763 -1.764 -11.717 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.709 -1.848 -13.466 1.00 0.00 H new ATOM 0 HG SER A 57 -7.103 0.240 -12.153 1.00 0.00 H new ATOM 810 N GLU A 58 -9.784 -2.320 -10.350 1.00 0.00 N ATOM 811 CA GLU A 58 -10.253 -2.313 -8.969 1.00 0.00 C ATOM 812 C GLU A 58 -9.984 -0.964 -8.311 1.00 0.00 C ATOM 813 O GLU A 58 -10.762 -0.501 -7.478 1.00 0.00 O ATOM 814 CB GLU A 58 -9.576 -3.431 -8.173 1.00 0.00 C ATOM 815 CG GLU A 58 -10.470 -4.636 -7.936 1.00 0.00 C ATOM 816 CD GLU A 58 -11.541 -4.371 -6.894 1.00 0.00 C ATOM 817 OE1 GLU A 58 -11.222 -3.744 -5.862 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.697 -4.791 -7.111 1.00 0.00 O ATOM 0 H GLU A 58 -9.062 -3.013 -10.546 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.329 -2.484 -8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.680 -3.753 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.251 -3.035 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.944 -4.922 -8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.859 -5.480 -7.617 1.00 0.00 H new ATOM 825 N ALA A 59 -8.875 -0.337 -8.691 1.00 0.00 N ATOM 826 CA ALA A 59 -8.502 0.960 -8.138 1.00 0.00 C ATOM 827 C ALA A 59 -9.363 2.074 -8.723 1.00 0.00 C ATOM 828 O ALA A 59 -9.772 2.994 -8.014 1.00 0.00 O ATOM 829 CB ALA A 59 -7.029 1.239 -8.395 1.00 0.00 C ATOM 0 H ALA A 59 -8.219 -0.706 -9.380 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.673 0.931 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.764 2.210 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.424 0.464 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.841 1.243 -9.469 1.00 0.00 H new ATOM 835 N GLU A 60 -9.636 1.985 -10.020 1.00 0.00 N ATOM 836 CA GLU A 60 -10.449 2.985 -10.702 1.00 0.00 C ATOM 837 C GLU A 60 -11.887 2.953 -10.197 1.00 0.00 C ATOM 838 O GLU A 60 -12.565 3.981 -10.157 1.00 0.00 O ATOM 839 CB GLU A 60 -10.422 2.751 -12.214 1.00 0.00 C ATOM 840 CG GLU A 60 -10.724 3.999 -13.027 1.00 0.00 C ATOM 841 CD GLU A 60 -12.155 4.470 -12.862 1.00 0.00 C ATOM 842 OE1 GLU A 60 -13.067 3.616 -12.881 1.00 0.00 O ATOM 843 OE2 GLU A 60 -12.366 5.692 -12.716 1.00 0.00 O ATOM 0 H GLU A 60 -9.306 1.230 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.028 3.967 -10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.440 2.371 -12.497 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.148 1.978 -12.467 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.046 4.797 -12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.531 3.797 -14.081 1.00 0.00 H new ATOM 850 N GLY A 61 -12.348 1.767 -9.812 1.00 0.00 N ATOM 851 CA GLY A 61 -13.704 1.626 -9.315 1.00 0.00 C ATOM 852 C GLY A 61 -13.890 2.254 -7.948 1.00 0.00 C ATOM 853 O GLY A 61 -14.890 2.927 -7.697 1.00 0.00 O ATOM 0 H GLY A 61 -11.807 0.902 -9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.396 2.087 -10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.960 0.568 -9.263 1.00 0.00 H new ATOM 857 N SER A 62 -12.925 2.035 -7.062 1.00 0.00 N ATOM 858 CA SER A 62 -12.986 2.585 -5.713 1.00 0.00 C ATOM 859 C SER A 62 -13.003 4.111 -5.748 1.00 0.00 C ATOM 860 O SER A 62 -13.920 4.743 -5.225 1.00 0.00 O ATOM 861 CB SER A 62 -11.798 2.091 -4.884 1.00 0.00 C ATOM 862 OG SER A 62 -12.234 1.418 -3.716 1.00 0.00 O ATOM 0 H SER A 62 -12.091 1.480 -7.254 1.00 0.00 H new ATOM 0 HA SER A 62 -13.910 2.242 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.185 1.420 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.168 2.936 -4.606 1.00 0.00 H new ATOM 0 HG SER A 62 -12.625 2.065 -3.093 1.00 0.00 H new ATOM 868 N GLY A 63 -11.983 4.694 -6.369 1.00 0.00 N ATOM 869 CA GLY A 63 -11.901 6.140 -6.461 1.00 0.00 C ATOM 870 C GLY A 63 -10.478 6.648 -6.335 1.00 0.00 C ATOM 871 O GLY A 63 -10.206 7.564 -5.559 1.00 0.00 O ATOM 0 H GLY A 63 -11.212 4.192 -6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.317 6.465 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.514 6.586 -5.678 1.00 0.00 H new ATOM 875 N LEU A 64 -9.568 6.053 -7.100 1.00 0.00 N ATOM 876 CA LEU A 64 -8.166 6.451 -7.070 1.00 0.00 C ATOM 877 C LEU A 64 -7.806 7.265 -8.308 1.00 0.00 C ATOM 878 O LEU A 64 -8.351 7.045 -9.389 1.00 0.00 O ATOM 879 CB LEU A 64 -7.266 5.218 -6.977 1.00 0.00 C ATOM 880 CG LEU A 64 -7.121 4.629 -5.571 1.00 0.00 C ATOM 881 CD1 LEU A 64 -7.948 3.361 -5.433 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.657 4.348 -5.258 1.00 0.00 C ATOM 0 H LEU A 64 -9.777 5.294 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.009 7.074 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.661 4.447 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.276 5.480 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.493 5.360 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.831 2.958 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.998 3.590 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.608 2.624 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.573 3.930 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.260 3.636 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.089 5.276 -5.313 1.00 0.00 H new ATOM 894 N LYS A 65 -6.883 8.207 -8.142 1.00 0.00 N ATOM 895 CA LYS A 65 -6.449 9.055 -9.247 1.00 0.00 C ATOM 896 C LYS A 65 -4.927 9.163 -9.284 1.00 0.00 C ATOM 897 O LYS A 65 -4.229 8.509 -8.508 1.00 0.00 O ATOM 898 CB LYS A 65 -7.069 10.448 -9.123 1.00 0.00 C ATOM 899 CG LYS A 65 -8.327 10.630 -9.957 1.00 0.00 C ATOM 900 CD LYS A 65 -9.580 10.353 -9.143 1.00 0.00 C ATOM 901 CE LYS A 65 -10.836 10.473 -9.992 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.916 11.213 -9.283 1.00 0.00 N ATOM 0 H LYS A 65 -6.421 8.402 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.785 8.598 -10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.306 10.639 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.332 11.193 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.362 11.647 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.295 9.961 -10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.523 9.352 -8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.635 11.053 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.597 10.985 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.192 9.477 -10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.755 11.273 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.162 10.711 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.586 12.172 -9.052 1.00 0.00 H new ATOM 916 N VAL A 66 -4.420 9.991 -10.189 1.00 0.00 N ATOM 917 CA VAL A 66 -2.981 10.186 -10.327 1.00 0.00 C ATOM 918 C VAL A 66 -2.498 11.345 -9.461 1.00 0.00 C ATOM 919 O VAL A 66 -3.145 12.389 -9.389 1.00 0.00 O ATOM 920 CB VAL A 66 -2.587 10.454 -11.792 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.752 9.196 -12.630 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.411 11.597 -12.365 1.00 0.00 C ATOM 0 H VAL A 66 -4.984 10.539 -10.839 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.504 9.264 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.537 10.744 -11.819 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.469 9.406 -13.661 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.114 8.407 -12.232 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.792 8.872 -12.598 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.119 11.772 -13.400 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.469 11.338 -12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.236 12.500 -11.781 1.00 0.00 H new ATOM 932 N GLY A 67 -1.358 11.152 -8.807 1.00 0.00 N ATOM 933 CA GLY A 67 -0.807 12.189 -7.954 1.00 0.00 C ATOM 934 C GLY A 67 -0.848 11.816 -6.486 1.00 0.00 C ATOM 935 O GLY A 67 -0.013 12.264 -5.700 1.00 0.00 O ATOM 0 H GLY A 67 -0.805 10.296 -8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.224 12.386 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.364 13.114 -8.106 1.00 0.00 H new ATOM 939 N ASP A 68 -1.823 10.992 -6.114 1.00 0.00 N ATOM 940 CA ASP A 68 -1.971 10.557 -4.729 1.00 0.00 C ATOM 941 C ASP A 68 -0.714 9.838 -4.248 1.00 0.00 C ATOM 942 O ASP A 68 -0.075 9.111 -5.007 1.00 0.00 O ATOM 943 CB ASP A 68 -3.186 9.638 -4.588 1.00 0.00 C ATOM 944 CG ASP A 68 -4.419 10.380 -4.111 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.796 11.381 -4.756 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.008 9.959 -3.094 1.00 0.00 O ATOM 0 H ASP A 68 -2.522 10.612 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.121 11.441 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.397 9.169 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.953 8.837 -3.886 1.00 0.00 H new ATOM 951 N GLN A 69 -0.369 10.046 -2.982 1.00 0.00 N ATOM 952 CA GLN A 69 0.811 9.417 -2.400 1.00 0.00 C ATOM 953 C GLN A 69 0.414 8.323 -1.414 1.00 0.00 C ATOM 954 O GLN A 69 -0.130 8.603 -0.346 1.00 0.00 O ATOM 955 CB GLN A 69 1.677 10.464 -1.696 1.00 0.00 C ATOM 956 CG GLN A 69 3.105 10.006 -1.447 1.00 0.00 C ATOM 957 CD GLN A 69 3.642 10.474 -0.109 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.880 10.839 0.786 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.962 10.468 0.032 1.00 0.00 N ATOM 0 H GLN A 69 -0.889 10.644 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 69 1.386 8.963 -3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.696 11.372 -2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.216 10.723 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.146 8.918 -1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.747 10.381 -2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.556 10.157 -0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.383 10.774 0.909 1.00 0.00 H new ATOM 968 N ILE A 70 0.689 7.075 -1.781 1.00 0.00 N ATOM 969 CA ILE A 70 0.359 5.939 -0.930 1.00 0.00 C ATOM 970 C ILE A 70 1.243 5.911 0.313 1.00 0.00 C ATOM 971 O ILE A 70 2.451 5.695 0.223 1.00 0.00 O ATOM 972 CB ILE A 70 0.514 4.604 -1.687 1.00 0.00 C ATOM 973 CG1 ILE A 70 -0.237 4.656 -3.020 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.011 3.448 -0.836 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.525 4.028 -4.167 1.00 0.00 C ATOM 0 H ILE A 70 1.139 6.826 -2.662 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.682 6.059 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 70 1.572 4.444 -1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.195 4.147 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.455 5.696 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.128 2.514 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.586 3.400 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.042 3.601 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.066 4.100 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.471 4.551 -4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.720 2.979 -3.943 1.00 0.00 H new ATOM 987 N LEU A 71 0.631 6.131 1.472 1.00 0.00 N ATOM 988 CA LEU A 71 1.362 6.132 2.734 1.00 0.00 C ATOM 989 C LEU A 71 1.749 4.713 3.140 1.00 0.00 C ATOM 990 O LEU A 71 2.931 4.373 3.196 1.00 0.00 O ATOM 991 CB LEU A 71 0.520 6.777 3.835 1.00 0.00 C ATOM 992 CG LEU A 71 0.181 8.252 3.611 1.00 0.00 C ATOM 993 CD1 LEU A 71 -0.911 8.701 4.568 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.424 9.114 3.775 1.00 0.00 C ATOM 0 H LEU A 71 -0.369 6.311 1.563 1.00 0.00 H new ATOM 0 HA LEU A 71 2.274 6.713 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.410 6.217 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.053 6.682 4.781 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.188 8.370 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.138 9.753 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.808 8.104 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.571 8.569 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.165 10.160 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.822 8.991 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.177 8.809 3.048 1.00 0.00 H new ATOM 1006 N GLU A 72 0.745 3.889 3.423 1.00 0.00 N ATOM 1007 CA GLU A 72 0.981 2.507 3.824 1.00 0.00 C ATOM 1008 C GLU A 72 -0.064 1.578 3.214 1.00 0.00 C ATOM 1009 O GLU A 72 -1.132 2.021 2.793 1.00 0.00 O ATOM 1010 CB GLU A 72 0.961 2.386 5.348 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.288 2.973 5.988 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.118 4.432 6.364 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.877 4.759 7.043 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -0.983 5.248 5.979 1.00 0.00 O ATOM 0 H GLU A 72 -0.239 4.154 3.382 1.00 0.00 H new ATOM 0 HA GLU A 72 1.963 2.210 3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.040 1.334 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.838 2.888 5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.126 2.874 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.540 2.399 6.879 1.00 0.00 H new ATOM 1021 N VAL A 73 0.252 0.288 3.173 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.659 -0.705 2.617 1.00 0.00 C ATOM 1023 C VAL A 73 -0.607 -2.004 3.412 1.00 0.00 C ATOM 1024 O VAL A 73 0.467 -2.554 3.654 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.331 -1.005 1.143 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.409 -1.881 0.523 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.166 0.287 0.357 1.00 0.00 C ATOM 0 H VAL A 73 1.132 -0.094 3.518 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.662 -0.284 2.679 1.00 0.00 H new ATOM 0 HB VAL A 73 0.613 -1.549 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.160 -2.082 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.472 -2.822 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.369 -1.367 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.065 0.054 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.091 0.861 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.646 0.873 0.787 1.00 0.00 H new ATOM 1037 N ASN A 74 -1.777 -2.491 3.817 1.00 0.00 N ATOM 1038 CA ASN A 74 -1.864 -3.727 4.585 1.00 0.00 C ATOM 1039 C ASN A 74 -1.104 -3.603 5.902 1.00 0.00 C ATOM 1040 O ASN A 74 -0.495 -4.564 6.372 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.313 -4.898 3.770 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.397 -5.622 2.995 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -2.376 -5.479 1.674 1.00 0.00 O flip ATOM 1044 ND2 ASN A 74 -3.243 -6.302 3.575 1.00 0.00 N flip ATOM 0 H ASN A 74 -2.676 -2.048 3.626 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.914 -3.914 4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.557 -4.531 3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.817 -5.601 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.222 -6.384 4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.965 -6.783 3.039 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.144 -2.414 6.492 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.455 -2.186 7.749 1.00 0.00 C ATOM 1053 C GLY A 75 1.053 -2.179 7.592 1.00 0.00 C ATOM 1054 O GLY A 75 1.783 -2.508 8.527 1.00 0.00 O ATOM 0 H GLY A 75 -1.641 -1.604 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.778 -1.233 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.739 -2.961 8.461 1.00 0.00 H new ATOM 1058 N ARG A 76 1.520 -1.802 6.406 1.00 0.00 N ATOM 1059 CA ARG A 76 2.952 -1.754 6.129 1.00 0.00 C ATOM 1060 C ARG A 76 3.355 -0.383 5.594 1.00 0.00 C ATOM 1061 O ARG A 76 2.776 0.111 4.627 1.00 0.00 O ATOM 1062 CB ARG A 76 3.334 -2.840 5.122 1.00 0.00 C ATOM 1063 CG ARG A 76 4.830 -2.925 4.858 1.00 0.00 C ATOM 1064 CD ARG A 76 5.344 -4.350 5.001 1.00 0.00 C ATOM 1065 NE ARG A 76 6.786 -4.436 4.784 1.00 0.00 N ATOM 1066 CZ ARG A 76 7.694 -3.969 5.639 1.00 0.00 C ATOM 1067 NH1 ARG A 76 7.312 -3.386 6.768 1.00 0.00 N ATOM 1068 NH2 ARG A 76 8.986 -4.088 5.364 1.00 0.00 N ATOM 0 H ARG A 76 0.929 -1.526 5.622 1.00 0.00 H new ATOM 0 HA ARG A 76 3.485 -1.931 7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.983 -3.804 5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.817 -2.650 4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.044 -2.559 3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.360 -2.275 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.104 -4.724 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.831 -4.994 4.287 1.00 0.00 H new ATOM 0 HE ARG A 76 7.117 -4.880 3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.319 -3.294 6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.011 -3.030 7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.284 -4.537 4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.682 -3.730 6.019 1.00 0.00 H new ATOM 1082 N SER A 77 4.352 0.223 6.230 1.00 0.00 N ATOM 1083 CA SER A 77 4.834 1.537 5.818 1.00 0.00 C ATOM 1084 C SER A 77 5.347 1.503 4.383 1.00 0.00 C ATOM 1085 O SER A 77 6.314 0.805 4.075 1.00 0.00 O ATOM 1086 CB SER A 77 5.943 2.013 6.758 1.00 0.00 C ATOM 1087 OG SER A 77 5.785 1.465 8.054 1.00 0.00 O ATOM 0 H SER A 77 4.842 -0.174 7.032 1.00 0.00 H new ATOM 0 HA SER A 77 3.999 2.236 5.869 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.914 1.725 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.932 3.101 6.816 1.00 0.00 H new ATOM 0 HG SER A 77 6.508 1.784 8.634 1.00 0.00 H new ATOM 1093 N PHE A 78 4.694 2.261 3.508 1.00 0.00 N ATOM 1094 CA PHE A 78 5.085 2.318 2.104 1.00 0.00 C ATOM 1095 C PHE A 78 5.937 3.553 1.825 1.00 0.00 C ATOM 1096 O PHE A 78 5.916 4.099 0.722 1.00 0.00 O ATOM 1097 CB PHE A 78 3.843 2.324 1.209 1.00 0.00 C ATOM 1098 CG PHE A 78 3.541 0.987 0.594 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.359 -0.132 1.391 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.438 0.849 -0.781 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.080 -1.363 0.828 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.161 -0.379 -1.350 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.982 -1.487 -0.544 1.00 0.00 C ATOM 0 H PHE A 78 3.892 2.844 3.746 1.00 0.00 H new ATOM 0 HA PHE A 78 5.681 1.433 1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.983 2.647 1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.981 3.058 0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.436 -0.041 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.576 1.712 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.939 -2.227 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.084 -0.473 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.766 -2.448 -0.986 1.00 0.00 H new ATOM 1113 N LEU A 79 6.686 3.989 2.833 1.00 0.00 N ATOM 1114 CA LEU A 79 7.545 5.159 2.695 1.00 0.00 C ATOM 1115 C LEU A 79 8.956 4.754 2.282 1.00 0.00 C ATOM 1116 O LEU A 79 9.647 5.498 1.586 1.00 0.00 O ATOM 1117 CB LEU A 79 7.591 5.941 4.010 1.00 0.00 C ATOM 1118 CG LEU A 79 6.227 6.253 4.626 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.385 6.714 6.066 1.00 0.00 C ATOM 1120 CD2 LEU A 79 5.500 7.307 3.803 1.00 0.00 C ATOM 0 H LEU A 79 6.715 3.550 3.753 1.00 0.00 H new ATOM 0 HA LEU A 79 7.127 5.795 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.177 5.373 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.118 6.879 3.839 1.00 0.00 H new ATOM 0 HG LEU A 79 5.630 5.341 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.404 6.932 6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.865 5.928 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.000 7.614 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.531 7.517 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.094 8.221 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.354 6.939 2.787 1.00 0.00 H new ATOM 1132 N ASN A 80 9.377 3.569 2.713 1.00 0.00 N ATOM 1133 CA ASN A 80 10.706 3.065 2.387 1.00 0.00 C ATOM 1134 C ASN A 80 10.621 1.673 1.767 1.00 0.00 C ATOM 1135 O ASN A 80 11.242 0.726 2.251 1.00 0.00 O ATOM 1136 CB ASN A 80 11.581 3.029 3.641 1.00 0.00 C ATOM 1137 CG ASN A 80 13.059 2.943 3.313 1.00 0.00 C ATOM 1138 OD1 ASN A 80 13.718 1.950 3.617 1.00 0.00 O ATOM 1139 ND2 ASN A 80 13.587 3.990 2.688 1.00 0.00 N ATOM 0 H ASN A 80 8.817 2.940 3.289 1.00 0.00 H new ATOM 0 HA ASN A 80 11.157 3.739 1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.395 3.923 4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.297 2.174 4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.577 3.991 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.003 4.793 2.455 1.00 0.00 H new ATOM 1146 N ILE A 81 9.849 1.556 0.692 1.00 0.00 N ATOM 1147 CA ILE A 81 9.682 0.282 0.004 1.00 0.00 C ATOM 1148 C ILE A 81 10.223 0.353 -1.420 1.00 0.00 C ATOM 1149 O ILE A 81 10.003 1.333 -2.131 1.00 0.00 O ATOM 1150 CB ILE A 81 8.199 -0.145 -0.035 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.060 -1.545 -0.638 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.374 0.863 -0.822 1.00 0.00 C ATOM 1153 CD1 ILE A 81 7.931 -2.639 0.399 1.00 0.00 C ATOM 0 H ILE A 81 9.329 2.329 0.278 1.00 0.00 H new ATOM 0 HA ILE A 81 10.249 -0.461 0.566 1.00 0.00 H new ATOM 0 HB ILE A 81 7.821 -0.173 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.185 -1.567 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.928 -1.750 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.331 0.546 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.448 1.842 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.751 0.924 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.836 -3.604 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.817 -2.644 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.047 -2.458 1.010 1.00 0.00 H new ATOM 1165 N LEU A 82 10.932 -0.694 -1.832 1.00 0.00 N ATOM 1166 CA LEU A 82 11.505 -0.750 -3.172 1.00 0.00 C ATOM 1167 C LEU A 82 10.416 -0.650 -4.235 1.00 0.00 C ATOM 1168 O LEU A 82 9.282 -1.077 -4.017 1.00 0.00 O ATOM 1169 CB LEU A 82 12.296 -2.047 -3.356 1.00 0.00 C ATOM 1170 CG LEU A 82 13.553 -2.167 -2.493 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.831 -3.625 -2.157 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.746 -1.543 -3.200 1.00 0.00 C ATOM 0 H LEU A 82 11.123 -1.515 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 82 12.179 0.099 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.640 -2.889 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.584 -2.134 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 82 13.386 -1.626 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.729 -3.692 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.985 -4.040 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.979 -4.189 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.632 -1.637 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.917 -2.055 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.546 -0.488 -3.389 1.00 0.00 H new ATOM 1184 N HIS A 83 10.768 -0.085 -5.385 1.00 0.00 N ATOM 1185 CA HIS A 83 9.821 0.071 -6.482 1.00 0.00 C ATOM 1186 C HIS A 83 9.352 -1.287 -6.994 1.00 0.00 C ATOM 1187 O HIS A 83 8.181 -1.465 -7.330 1.00 0.00 O ATOM 1188 CB HIS A 83 10.455 0.868 -7.622 1.00 0.00 C ATOM 1189 CG HIS A 83 9.506 1.173 -8.740 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.141 1.261 -8.564 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.730 1.413 -10.054 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.567 1.540 -9.722 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.509 1.638 -10.640 1.00 0.00 N ATOM 0 H HIS A 83 11.703 0.273 -5.581 1.00 0.00 H new ATOM 0 HA HIS A 83 8.955 0.616 -6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.849 1.804 -7.225 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.302 0.308 -8.018 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.690 1.425 -10.549 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.507 1.666 -9.888 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.355 1.847 -11.626 1.00 0.00 H new ATOM 1202 N ASP A 84 10.274 -2.243 -7.052 1.00 0.00 N ATOM 1203 CA ASP A 84 9.955 -3.585 -7.524 1.00 0.00 C ATOM 1204 C ASP A 84 9.127 -4.342 -6.491 1.00 0.00 C ATOM 1205 O ASP A 84 8.258 -5.141 -6.842 1.00 0.00 O ATOM 1206 CB ASP A 84 11.239 -4.359 -7.832 1.00 0.00 C ATOM 1207 CG ASP A 84 10.964 -5.694 -8.494 1.00 0.00 C ATOM 1208 OD1 ASP A 84 10.793 -6.695 -7.766 1.00 0.00 O ATOM 1209 OD2 ASP A 84 10.920 -5.740 -9.742 1.00 0.00 O ATOM 0 H ASP A 84 11.248 -2.113 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 84 9.367 -3.492 -8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.875 -3.758 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.792 -4.522 -6.907 1.00 0.00 H new ATOM 1214 N GLU A 85 9.401 -4.086 -5.216 1.00 0.00 N ATOM 1215 CA GLU A 85 8.681 -4.743 -4.132 1.00 0.00 C ATOM 1216 C GLU A 85 7.281 -4.157 -3.975 1.00 0.00 C ATOM 1217 O GLU A 85 6.321 -4.880 -3.708 1.00 0.00 O ATOM 1218 CB GLU A 85 9.455 -4.604 -2.820 1.00 0.00 C ATOM 1219 CG GLU A 85 9.223 -5.753 -1.851 1.00 0.00 C ATOM 1220 CD GLU A 85 10.199 -5.743 -0.691 1.00 0.00 C ATOM 1221 OE1 GLU A 85 10.533 -4.642 -0.206 1.00 0.00 O ATOM 1222 OE2 GLU A 85 10.629 -6.836 -0.267 1.00 0.00 O ATOM 0 H GLU A 85 10.117 -3.428 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 85 8.587 -5.800 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.520 -4.536 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.170 -3.669 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.205 -5.698 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.310 -6.698 -2.386 1.00 0.00 H new ATOM 1229 N ALA A 86 7.174 -2.843 -4.143 1.00 0.00 N ATOM 1230 CA ALA A 86 5.892 -2.160 -4.020 1.00 0.00 C ATOM 1231 C ALA A 86 4.887 -2.689 -5.038 1.00 0.00 C ATOM 1232 O ALA A 86 3.714 -2.888 -4.724 1.00 0.00 O ATOM 1233 CB ALA A 86 6.076 -0.660 -4.188 1.00 0.00 C ATOM 0 H ALA A 86 7.959 -2.231 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 86 5.497 -2.358 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.111 -0.162 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.753 -0.288 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.497 -0.453 -5.172 1.00 0.00 H new ATOM 1239 N VAL A 87 5.356 -2.917 -6.262 1.00 0.00 N ATOM 1240 CA VAL A 87 4.500 -3.424 -7.326 1.00 0.00 C ATOM 1241 C VAL A 87 4.164 -4.895 -7.106 1.00 0.00 C ATOM 1242 O VAL A 87 3.001 -5.292 -7.164 1.00 0.00 O ATOM 1243 CB VAL A 87 5.164 -3.261 -8.708 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.194 -3.640 -9.816 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.667 -1.838 -8.894 1.00 0.00 C ATOM 0 H VAL A 87 6.325 -2.758 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 87 3.582 -2.836 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 87 6.019 -3.934 -8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.681 -3.518 -10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.888 -4.679 -9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.317 -2.995 -9.768 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.133 -1.742 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.830 -1.144 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.400 -1.607 -8.121 1.00 0.00 H new ATOM 1255 N ARG A 88 5.191 -5.699 -6.854 1.00 0.00 N ATOM 1256 CA ARG A 88 5.006 -7.128 -6.627 1.00 0.00 C ATOM 1257 C ARG A 88 4.106 -7.374 -5.420 1.00 0.00 C ATOM 1258 O ARG A 88 3.182 -8.185 -5.478 1.00 0.00 O ATOM 1259 CB ARG A 88 6.359 -7.812 -6.417 1.00 0.00 C ATOM 1260 CG ARG A 88 6.468 -9.164 -7.103 1.00 0.00 C ATOM 1261 CD ARG A 88 7.884 -9.425 -7.592 1.00 0.00 C ATOM 1262 NE ARG A 88 8.207 -10.850 -7.594 1.00 0.00 N ATOM 1263 CZ ARG A 88 8.516 -11.542 -6.501 1.00 0.00 C ATOM 1264 NH1 ARG A 88 8.545 -10.945 -5.315 1.00 0.00 N ATOM 1265 NH2 ARG A 88 8.797 -12.835 -6.592 1.00 0.00 N ATOM 0 H ARG A 88 6.160 -5.386 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 88 4.526 -7.552 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.149 -7.160 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.530 -7.941 -5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.170 -9.951 -6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.777 -9.203 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.999 -9.025 -8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.591 -8.894 -6.955 1.00 0.00 H new ATOM 0 HE ARG A 88 8.195 -11.343 -8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.330 -9.951 -5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.783 -11.481 -4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.776 -13.299 -7.500 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.034 -13.366 -5.754 1.00 0.00 H new ATOM 1279 N LEU A 89 4.381 -6.668 -4.328 1.00 0.00 N ATOM 1280 CA LEU A 89 3.596 -6.811 -3.107 1.00 0.00 C ATOM 1281 C LEU A 89 2.152 -6.372 -3.333 1.00 0.00 C ATOM 1282 O LEU A 89 1.215 -7.048 -2.912 1.00 0.00 O ATOM 1283 CB LEU A 89 4.220 -5.990 -1.976 1.00 0.00 C ATOM 1284 CG LEU A 89 3.516 -6.110 -0.624 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.907 -7.407 0.068 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.845 -4.914 0.255 1.00 0.00 C ATOM 0 H LEU A 89 5.141 -5.991 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 89 3.596 -7.864 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.259 -6.297 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.229 -4.941 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 89 2.440 -6.124 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.396 -7.475 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.620 -8.253 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.985 -7.423 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.336 -5.016 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.922 -4.868 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.514 -3.999 -0.237 1.00 0.00 H new ATOM 1298 N LEU A 90 1.983 -5.234 -3.999 1.00 0.00 N ATOM 1299 CA LEU A 90 0.653 -4.704 -4.279 1.00 0.00 C ATOM 1300 C LEU A 90 -0.161 -5.689 -5.111 1.00 0.00 C ATOM 1301 O LEU A 90 -1.384 -5.758 -4.988 1.00 0.00 O ATOM 1302 CB LEU A 90 0.759 -3.365 -5.011 1.00 0.00 C ATOM 1303 CG LEU A 90 1.046 -2.159 -4.115 1.00 0.00 C ATOM 1304 CD1 LEU A 90 1.507 -0.973 -4.949 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.189 -1.794 -3.304 1.00 0.00 C ATOM 0 H LEU A 90 2.749 -4.662 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 90 0.142 -4.551 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.548 -3.439 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.173 -3.187 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 90 1.846 -2.424 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.707 -0.124 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.417 -1.238 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.728 -0.706 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.032 -0.934 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.008 -1.547 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.477 -2.639 -2.679 1.00 0.00 H new ATOM 1317 N LYS A 91 0.525 -6.449 -5.958 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.135 -7.431 -6.811 1.00 0.00 C ATOM 1319 C LYS A 91 0.136 -8.849 -6.318 1.00 0.00 C ATOM 1320 O LYS A 91 0.474 -9.737 -7.101 1.00 0.00 O ATOM 1321 CB LYS A 91 0.338 -7.279 -8.258 1.00 0.00 C ATOM 1322 CG LYS A 91 0.305 -5.846 -8.763 1.00 0.00 C ATOM 1323 CD LYS A 91 -1.081 -5.238 -8.621 1.00 0.00 C ATOM 1324 CE LYS A 91 -1.256 -4.035 -9.534 1.00 0.00 C ATOM 1325 NZ LYS A 91 -0.086 -3.116 -9.475 1.00 0.00 N ATOM 0 H LYS A 91 1.538 -6.404 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.209 -7.252 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.356 -7.661 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.287 -7.897 -8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.025 -5.246 -8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.609 -5.821 -9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.835 -5.989 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.244 -4.938 -7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.398 -4.376 -10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.158 -3.493 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.346 -2.196 -9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.203 -2.985 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.704 -3.524 -10.015 1.00 0.00 H new ATOM 1339 N SER A 92 -0.017 -9.055 -5.014 1.00 0.00 N ATOM 1340 CA SER A 92 0.211 -10.366 -4.415 1.00 0.00 C ATOM 1341 C SER A 92 -0.898 -10.713 -3.427 1.00 0.00 C ATOM 1342 O SER A 92 -1.596 -11.713 -3.589 1.00 0.00 O ATOM 1343 CB SER A 92 1.569 -10.398 -3.710 1.00 0.00 C ATOM 1344 OG SER A 92 2.269 -11.594 -4.008 1.00 0.00 O ATOM 0 H SER A 92 -0.298 -8.332 -4.352 1.00 0.00 H new ATOM 0 HA SER A 92 0.206 -11.109 -5.213 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.163 -9.538 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.425 -10.316 -2.633 1.00 0.00 H new ATOM 0 HG SER A 92 3.134 -11.590 -3.548 1.00 0.00 H new ATOM 1350 N SER A 93 -1.052 -9.879 -2.403 1.00 0.00 N ATOM 1351 CA SER A 93 -2.076 -10.098 -1.387 1.00 0.00 C ATOM 1352 C SER A 93 -3.473 -9.962 -1.985 1.00 0.00 C ATOM 1353 O SER A 93 -3.638 -9.457 -3.095 1.00 0.00 O ATOM 1354 CB SER A 93 -1.903 -9.106 -0.236 1.00 0.00 C ATOM 1355 OG SER A 93 -0.950 -9.576 0.702 1.00 0.00 O ATOM 0 H SER A 93 -0.482 -9.046 -2.255 1.00 0.00 H new ATOM 0 HA SER A 93 -1.961 -11.112 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.586 -8.140 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.861 -8.949 0.261 1.00 0.00 H new ATOM 0 HG SER A 93 -0.856 -8.924 1.427 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.476 -10.416 -1.241 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.860 -10.345 -1.697 1.00 0.00 C ATOM 1363 C ARG A 94 -6.517 -9.048 -1.236 1.00 0.00 C ATOM 1364 O ARG A 94 -7.002 -8.261 -2.050 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.656 -11.545 -1.180 1.00 0.00 C ATOM 1366 CG ARG A 94 -5.889 -12.857 -1.236 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.708 -13.337 -2.668 1.00 0.00 C ATOM 1368 NE ARG A 94 -6.622 -14.428 -2.998 1.00 0.00 N ATOM 1369 CZ ARG A 94 -6.436 -15.269 -4.014 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -5.374 -15.147 -4.801 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -7.316 -16.235 -4.244 1.00 0.00 N ATOM 0 H ARG A 94 -4.357 -10.837 -0.320 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.857 -10.365 -2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.957 -11.354 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.570 -11.643 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.913 -12.729 -0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.421 -13.615 -0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.873 -12.505 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.680 -13.669 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.451 -14.553 -2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.694 -14.406 -4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.237 -15.794 -5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.134 -16.333 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.174 -16.879 -5.022 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.529 -8.832 0.075 1.00 0.00 N ATOM 1386 CA HIS A 95 -7.126 -7.629 0.646 1.00 0.00 C ATOM 1387 C HIS A 95 -6.105 -6.499 0.721 1.00 0.00 C ATOM 1388 O HIS A 95 -5.270 -6.460 1.625 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.682 -7.925 2.041 1.00 0.00 C ATOM 1390 CG HIS A 95 -9.024 -7.307 2.293 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -10.078 -7.997 2.850 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -9.479 -6.052 2.061 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -11.124 -7.196 2.949 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.786 -6.011 2.477 1.00 0.00 N ATOM 0 H HIS A 95 -6.133 -9.473 0.762 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.942 -7.313 -0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.758 -9.004 2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.977 -7.562 2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.918 -5.236 1.629 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.091 -7.465 3.348 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -11.398 -5.196 2.429 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.176 -5.579 -0.237 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.257 -4.448 -0.280 1.00 0.00 C ATOM 1405 C LEU A 96 -5.913 -3.192 0.287 1.00 0.00 C ATOM 1406 O LEU A 96 -6.928 -2.723 -0.227 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.796 -4.193 -1.716 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.365 -5.441 -2.487 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.320 -5.156 -3.981 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.010 -5.929 -1.995 1.00 0.00 C ATOM 0 H LEU A 96 -6.860 -5.595 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.390 -4.692 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.606 -3.709 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.962 -3.491 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.099 -6.227 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.011 -6.055 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.309 -4.853 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.607 -4.355 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.718 -6.818 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.266 -5.147 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.074 -6.173 -0.934 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.323 -2.652 1.349 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.849 -1.450 1.986 1.00 0.00 C ATOM 1424 C ILE A 97 -4.862 -0.293 1.873 1.00 0.00 C ATOM 1425 O ILE A 97 -4.098 -0.023 2.800 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.166 -1.694 3.475 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -6.979 -2.981 3.644 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -6.916 -0.506 4.059 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.363 -3.960 4.620 1.00 0.00 C ATOM 0 H ILE A 97 -4.481 -3.027 1.786 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.770 -1.193 1.464 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.227 -1.807 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.983 -2.725 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.084 -3.465 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.132 -0.694 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.303 0.391 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.850 -0.363 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.991 -4.848 4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.370 -4.245 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.283 -3.493 5.602 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.883 0.386 0.731 1.00 0.00 N ATOM 1442 CA LEU A 98 -3.989 1.514 0.497 1.00 0.00 C ATOM 1443 C LEU A 98 -4.432 2.737 1.294 1.00 0.00 C ATOM 1444 O LEU A 98 -5.627 2.988 1.452 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.942 1.853 -0.995 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.293 0.790 -1.881 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.300 -0.290 -2.246 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.712 1.426 -3.135 1.00 0.00 C ATOM 0 H LEU A 98 -5.509 0.175 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.991 1.229 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.960 2.024 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.400 2.790 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.481 0.325 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.819 -1.038 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.669 -0.765 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.134 0.158 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.254 0.655 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.507 1.917 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.958 2.162 -2.854 1.00 0.00 H new ATOM 1460 N THR A 99 -3.460 3.496 1.792 1.00 0.00 N ATOM 1461 CA THR A 99 -3.748 4.694 2.571 1.00 0.00 C ATOM 1462 C THR A 99 -3.097 5.921 1.943 1.00 0.00 C ATOM 1463 O THR A 99 -2.039 6.369 2.384 1.00 0.00 O ATOM 1464 CB THR A 99 -3.257 4.522 4.010 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.556 3.223 4.489 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.865 5.518 4.973 1.00 0.00 C ATOM 0 H THR A 99 -2.466 3.302 1.669 1.00 0.00 H new ATOM 0 HA THR A 99 -4.828 4.842 2.578 1.00 0.00 H new ATOM 0 HB THR A 99 -2.181 4.691 3.971 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.924 2.580 4.106 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.474 5.340 5.975 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.611 6.530 4.658 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.949 5.402 4.980 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.736 6.460 0.909 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.217 7.635 0.219 1.00 0.00 C ATOM 1476 C VAL A 100 -3.699 8.919 0.883 1.00 0.00 C ATOM 1477 O VAL A 100 -4.573 8.894 1.749 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.638 7.648 -1.263 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -2.879 6.586 -2.044 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.140 7.447 -1.393 1.00 0.00 C ATOM 0 H VAL A 100 -4.613 6.102 0.531 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.130 7.583 0.280 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.388 8.622 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.190 6.611 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.809 6.782 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.094 5.603 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.419 7.459 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.418 6.488 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.661 8.249 -0.871 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.123 10.044 0.470 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.492 11.342 1.025 1.00 0.00 C ATOM 1492 C LYS A 101 -3.901 12.308 -0.082 1.00 0.00 C ATOM 1493 O LYS A 101 -3.429 12.207 -1.215 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.328 11.929 1.825 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.016 11.956 1.059 1.00 0.00 C ATOM 1496 CD LYS A 101 0.037 12.777 1.787 1.00 0.00 C ATOM 1497 CE LYS A 101 0.176 14.167 1.187 1.00 0.00 C ATOM 1498 NZ LYS A 101 1.585 14.473 0.810 1.00 0.00 N ATOM 0 H LYS A 101 -2.399 10.083 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.343 11.196 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.583 12.944 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.195 11.347 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.653 10.938 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.182 12.373 0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.230 12.860 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.997 12.262 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.461 14.247 0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.177 14.908 1.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.636 15.430 0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.189 14.422 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.914 13.781 0.107 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.780 13.247 0.253 1.00 0.00 N ATOM 1513 CA ASP A 102 -5.251 14.233 -0.713 1.00 0.00 C ATOM 1514 C ASP A 102 -4.161 15.251 -1.027 1.00 0.00 C ATOM 1515 O ASP A 102 -4.099 16.319 -0.417 1.00 0.00 O ATOM 1516 CB ASP A 102 -6.493 14.948 -0.178 1.00 0.00 C ATOM 1517 CG ASP A 102 -7.670 14.007 -0.001 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -7.453 12.867 0.460 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -8.807 14.411 -0.323 1.00 0.00 O ATOM 0 H ASP A 102 -5.180 13.346 1.186 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.509 13.709 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.257 15.414 0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.771 15.749 -0.863 1.00 0.00 H new ATOM 1524 N VAL A 103 -3.302 14.915 -1.984 1.00 0.00 N ATOM 1525 CA VAL A 103 -2.213 15.799 -2.380 1.00 0.00 C ATOM 1526 C VAL A 103 -2.747 17.074 -3.023 1.00 0.00 C ATOM 1527 O VAL A 103 -2.131 18.136 -2.926 1.00 0.00 O ATOM 1528 CB VAL A 103 -1.253 15.104 -3.363 1.00 0.00 C ATOM 1529 CG1 VAL A 103 -0.037 15.976 -3.633 1.00 0.00 C ATOM 1530 CG2 VAL A 103 -0.834 13.744 -2.826 1.00 0.00 C ATOM 0 H VAL A 103 -3.340 14.036 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.667 16.054 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.777 14.952 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.629 15.467 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.358 16.924 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.491 16.163 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.156 13.267 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.329 13.871 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.716 13.118 -2.691 1.00 0.00 H new ATOM 1540 N GLY A 104 -3.896 16.963 -3.682 1.00 0.00 N ATOM 1541 CA GLY A 104 -4.493 18.115 -4.332 1.00 0.00 C ATOM 1542 C GLY A 104 -5.712 17.750 -5.155 1.00 0.00 C ATOM 1543 O GLY A 104 -5.868 18.213 -6.285 1.00 0.00 O ATOM 0 H GLY A 104 -4.424 16.096 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.775 18.849 -3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.752 18.589 -4.976 1.00 0.00 H new ATOM 1547 N ARG A 105 -6.578 16.917 -4.590 1.00 0.00 N ATOM 1548 CA ARG A 105 -7.791 16.489 -5.279 1.00 0.00 C ATOM 1549 C ARG A 105 -9.001 17.277 -4.790 1.00 0.00 C ATOM 1550 O ARG A 105 -8.921 18.010 -3.804 1.00 0.00 O ATOM 1551 CB ARG A 105 -8.022 14.992 -5.066 1.00 0.00 C ATOM 1552 CG ARG A 105 -6.869 14.124 -5.544 1.00 0.00 C ATOM 1553 CD ARG A 105 -6.758 14.125 -7.061 1.00 0.00 C ATOM 1554 NE ARG A 105 -5.559 14.821 -7.522 1.00 0.00 N ATOM 1555 CZ ARG A 105 -4.320 14.394 -7.290 1.00 0.00 C ATOM 1556 NH1 ARG A 105 -4.113 13.276 -6.605 1.00 0.00 N ATOM 1557 NH2 ARG A 105 -3.285 15.086 -7.745 1.00 0.00 N ATOM 0 H ARG A 105 -6.463 16.524 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.661 16.681 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.190 14.806 -4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.931 14.695 -5.590 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -5.937 14.486 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -7.010 13.103 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.743 13.097 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -7.640 14.601 -7.489 1.00 0.00 H new ATOM 0 HE ARG A 105 -5.678 15.684 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.906 12.739 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.161 12.954 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.438 15.945 -8.273 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.335 14.759 -7.567 1.00 0.00 H new ATOM 1571 N LEU A 106 -10.123 17.121 -5.486 1.00 0.00 N ATOM 1572 CA LEU A 106 -11.351 17.817 -5.122 1.00 0.00 C ATOM 1573 C LEU A 106 -12.422 16.829 -4.666 1.00 0.00 C ATOM 1574 O LEU A 106 -12.420 15.667 -5.070 1.00 0.00 O ATOM 1575 CB LEU A 106 -11.867 18.636 -6.307 1.00 0.00 C ATOM 1576 CG LEU A 106 -11.372 20.082 -6.360 1.00 0.00 C ATOM 1577 CD1 LEU A 106 -9.853 20.124 -6.423 1.00 0.00 C ATOM 1578 CD2 LEU A 106 -11.977 20.809 -7.552 1.00 0.00 C ATOM 0 H LEU A 106 -10.206 16.519 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 106 -11.127 18.490 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.576 18.134 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -12.957 18.642 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.692 20.589 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.519 21.161 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.439 19.641 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.511 19.600 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.614 21.837 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.688 20.302 -8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -13.063 20.810 -7.464 1.00 0.00 H new ATOM 1590 N PRO A 107 -13.356 17.281 -3.811 1.00 0.00 N ATOM 1591 CA PRO A 107 -14.437 16.431 -3.301 1.00 0.00 C ATOM 1592 C PRO A 107 -15.450 16.071 -4.381 1.00 0.00 C ATOM 1593 O PRO A 107 -15.322 16.492 -5.531 1.00 0.00 O ATOM 1594 CB PRO A 107 -15.091 17.295 -2.220 1.00 0.00 C ATOM 1595 CG PRO A 107 -14.786 18.697 -2.621 1.00 0.00 C ATOM 1596 CD PRO A 107 -13.433 18.654 -3.278 1.00 0.00 C ATOM 0 HA PRO A 107 -14.063 15.476 -2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -16.166 17.122 -2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -14.687 17.068 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -15.541 19.080 -3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -14.778 19.358 -1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -13.347 19.398 -4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -12.633 18.854 -2.565 1.00 0.00 H new ATOM 1604 N HIS A 108 -16.458 15.291 -4.004 1.00 0.00 N ATOM 1605 CA HIS A 108 -17.495 14.874 -4.942 1.00 0.00 C ATOM 1606 C HIS A 108 -18.868 15.357 -4.485 1.00 0.00 C ATOM 1607 O HIS A 108 -19.311 15.044 -3.380 1.00 0.00 O ATOM 1608 CB HIS A 108 -17.498 13.351 -5.087 1.00 0.00 C ATOM 1609 CG HIS A 108 -17.702 12.884 -6.494 1.00 0.00 C ATOM 1610 ND1 HIS A 108 -16.754 12.170 -7.197 1.00 0.00 N ATOM 1611 CD2 HIS A 108 -18.754 13.033 -7.334 1.00 0.00 C ATOM 1612 CE1 HIS A 108 -17.213 11.901 -8.405 1.00 0.00 C ATOM 1613 NE2 HIS A 108 -18.425 12.414 -8.514 1.00 0.00 N ATOM 0 H HIS A 108 -16.579 14.935 -3.056 1.00 0.00 H new ATOM 0 HA HIS A 108 -17.276 15.323 -5.911 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -16.552 12.957 -4.716 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -18.285 12.936 -4.457 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -19.680 13.544 -7.116 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -16.687 11.354 -9.174 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -19.020 12.359 -9.341 1.00 0.00 H new ATOM 1622 N ALA A 109 -19.536 16.121 -5.342 1.00 0.00 N ATOM 1623 CA ALA A 109 -20.858 16.648 -5.026 1.00 0.00 C ATOM 1624 C ALA A 109 -21.610 17.039 -6.293 1.00 0.00 C ATOM 1625 O ALA A 109 -21.022 17.559 -7.241 1.00 0.00 O ATOM 1626 CB ALA A 109 -20.741 17.841 -4.090 1.00 0.00 C ATOM 0 H ALA A 109 -19.184 16.389 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 109 -21.425 15.863 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -21.736 18.224 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -20.251 17.532 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -20.152 18.623 -4.569 1.00 0.00 H new ATOM 1632 N ARG A 110 -22.915 16.785 -6.304 1.00 0.00 N ATOM 1633 CA ARG A 110 -23.749 17.111 -7.455 1.00 0.00 C ATOM 1634 C ARG A 110 -24.651 18.304 -7.153 1.00 0.00 C ATOM 1635 O ARG A 110 -24.869 19.161 -8.009 1.00 0.00 O ATOM 1636 CB ARG A 110 -24.597 15.904 -7.857 1.00 0.00 C ATOM 1637 CG ARG A 110 -23.776 14.673 -8.207 1.00 0.00 C ATOM 1638 CD ARG A 110 -24.612 13.406 -8.128 1.00 0.00 C ATOM 1639 NE ARG A 110 -25.189 13.049 -9.423 1.00 0.00 N ATOM 1640 CZ ARG A 110 -26.217 12.217 -9.572 1.00 0.00 C ATOM 1641 NH1 ARG A 110 -26.783 11.654 -8.511 1.00 0.00 N ATOM 1642 NH2 ARG A 110 -26.680 11.946 -10.785 1.00 0.00 N ATOM 0 H ARG A 110 -23.418 16.354 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 110 -23.092 17.375 -8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -25.275 15.658 -7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -25.215 16.174 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -23.369 14.780 -9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -22.928 14.594 -7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -23.992 12.585 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -25.412 13.544 -7.400 1.00 0.00 H new ATOM 0 HE ARG A 110 -24.780 13.462 -10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -26.430 11.858 -7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -27.571 11.017 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -26.248 12.375 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -27.468 11.308 -10.899 1.00 0.00 H new ATOM 1656 N THR A 111 -25.172 18.351 -5.932 1.00 0.00 N ATOM 1657 CA THR A 111 -26.051 19.437 -5.516 1.00 0.00 C ATOM 1658 C THR A 111 -25.420 20.246 -4.387 1.00 0.00 C ATOM 1659 O THR A 111 -25.567 19.910 -3.213 1.00 0.00 O ATOM 1660 CB THR A 111 -27.404 18.883 -5.068 1.00 0.00 C ATOM 1661 OG1 THR A 111 -27.681 17.652 -5.711 1.00 0.00 O ATOM 1662 CG2 THR A 111 -28.558 19.820 -5.354 1.00 0.00 C ATOM 0 H THR A 111 -25.000 17.649 -5.212 1.00 0.00 H new ATOM 0 HA THR A 111 -26.202 20.097 -6.371 1.00 0.00 H new ATOM 0 HB THR A 111 -27.320 18.754 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 111 -28.550 17.314 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 111 -29.488 19.367 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 111 -28.400 20.763 -4.830 1.00 0.00 H new ATOM 0 HG23 THR A 111 -28.618 20.006 -6.426 1.00 0.00 H new ATOM 1670 N THR A 112 -24.718 21.314 -4.752 1.00 0.00 N ATOM 1671 CA THR A 112 -24.065 22.170 -3.770 1.00 0.00 C ATOM 1672 C THR A 112 -24.871 23.445 -3.539 1.00 0.00 C ATOM 1673 O THR A 112 -24.306 24.519 -3.329 1.00 0.00 O ATOM 1674 CB THR A 112 -22.650 22.524 -4.231 1.00 0.00 C ATOM 1675 OG1 THR A 112 -22.173 21.571 -5.163 1.00 0.00 O ATOM 1676 CG2 THR A 112 -21.651 22.596 -3.096 1.00 0.00 C ATOM 0 H THR A 112 -24.587 21.607 -5.720 1.00 0.00 H new ATOM 0 HA THR A 112 -24.006 21.622 -2.829 1.00 0.00 H new ATOM 0 HB THR A 112 -22.733 23.512 -4.684 1.00 0.00 H new ATOM 0 HG1 THR A 112 -21.268 21.816 -5.447 1.00 0.00 H new ATOM 0 HG21 THR A 112 -20.668 22.851 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 112 -21.964 23.359 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 112 -21.600 21.630 -2.594 1.00 0.00 H new ATOM 1684 N VAL A 113 -26.193 23.319 -3.580 1.00 0.00 N ATOM 1685 CA VAL A 113 -27.076 24.459 -3.374 1.00 0.00 C ATOM 1686 C VAL A 113 -27.751 24.395 -2.006 1.00 0.00 C ATOM 1687 O VAL A 113 -28.075 25.424 -1.415 1.00 0.00 O ATOM 1688 CB VAL A 113 -28.159 24.535 -4.470 1.00 0.00 C ATOM 1689 CG1 VAL A 113 -29.040 23.295 -4.442 1.00 0.00 C ATOM 1690 CG2 VAL A 113 -28.994 25.797 -4.313 1.00 0.00 C ATOM 0 H VAL A 113 -26.676 22.438 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 113 -26.455 25.354 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 113 -27.663 24.576 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -29.797 23.369 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -28.428 22.410 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -29.527 23.217 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -29.752 25.832 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -29.480 25.793 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -28.349 26.672 -4.393 1.00 0.00 H new ATOM 1700 N ASP A 114 -27.957 23.179 -1.510 1.00 0.00 N ATOM 1701 CA ASP A 114 -28.591 22.981 -0.212 1.00 0.00 C ATOM 1702 C ASP A 114 -30.010 23.544 -0.207 1.00 0.00 C ATOM 1703 O ASP A 114 -30.207 24.755 -0.309 1.00 0.00 O ATOM 1704 CB ASP A 114 -27.763 23.642 0.891 1.00 0.00 C ATOM 1705 CG ASP A 114 -26.397 23.003 1.049 1.00 0.00 C ATOM 1706 OD1 ASP A 114 -25.487 23.346 0.265 1.00 0.00 O ATOM 1707 OD2 ASP A 114 -26.236 22.160 1.956 1.00 0.00 O ATOM 0 H ASP A 114 -27.694 22.317 -1.987 1.00 0.00 H new ATOM 0 HA ASP A 114 -28.644 21.909 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -27.642 24.701 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -28.303 23.577 1.836 1.00 0.00 H new ATOM 1712 N GLU A 115 -30.992 22.658 -0.087 1.00 0.00 N ATOM 1713 CA GLU A 115 -32.392 23.065 -0.069 1.00 0.00 C ATOM 1714 C GLU A 115 -32.772 23.766 -1.370 1.00 0.00 C ATOM 1715 O GLU A 115 -31.904 24.197 -2.129 1.00 0.00 O ATOM 1716 CB GLU A 115 -32.660 23.991 1.120 1.00 0.00 C ATOM 1717 CG GLU A 115 -34.104 23.962 1.599 1.00 0.00 C ATOM 1718 CD GLU A 115 -34.219 23.738 3.093 1.00 0.00 C ATOM 1719 OE1 GLU A 115 -33.650 24.544 3.861 1.00 0.00 O ATOM 1720 OE2 GLU A 115 -34.879 22.757 3.498 1.00 0.00 O ATOM 0 H GLU A 115 -30.844 21.652 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 115 -33.004 22.169 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -32.006 23.708 1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -32.398 25.012 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -34.588 24.903 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -34.641 23.171 1.075 1.00 0.00 H new ATOM 1727 N THR A 116 -34.072 23.876 -1.620 1.00 0.00 N ATOM 1728 CA THR A 116 -34.565 24.525 -2.829 1.00 0.00 C ATOM 1729 C THR A 116 -34.384 26.037 -2.748 1.00 0.00 C ATOM 1730 O THR A 116 -34.051 26.686 -3.740 1.00 0.00 O ATOM 1731 CB THR A 116 -36.040 24.187 -3.050 1.00 0.00 C ATOM 1732 OG1 THR A 116 -36.697 23.976 -1.812 1.00 0.00 O ATOM 1733 CG2 THR A 116 -36.252 22.952 -3.898 1.00 0.00 C ATOM 0 H THR A 116 -34.803 23.524 -1.002 1.00 0.00 H new ATOM 0 HA THR A 116 -33.984 24.153 -3.673 1.00 0.00 H new ATOM 0 HB THR A 116 -36.456 25.045 -3.578 1.00 0.00 H new ATOM 0 HG1 THR A 116 -37.640 23.763 -1.974 1.00 0.00 H new ATOM 0 HG21 THR A 116 -37.320 22.770 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 116 -35.800 23.102 -4.878 1.00 0.00 H new ATOM 0 HG23 THR A 116 -35.789 22.093 -3.412 1.00 0.00 H new ATOM 1741 N LYS A 117 -34.605 26.592 -1.562 1.00 0.00 N ATOM 1742 CA LYS A 117 -34.466 28.028 -1.351 1.00 0.00 C ATOM 1743 C LYS A 117 -34.371 28.354 0.136 1.00 0.00 C ATOM 1744 O LYS A 117 -33.342 28.836 0.612 1.00 0.00 O ATOM 1745 CB LYS A 117 -35.649 28.773 -1.978 1.00 0.00 C ATOM 1746 CG LYS A 117 -35.234 29.843 -2.973 1.00 0.00 C ATOM 1747 CD LYS A 117 -36.371 30.193 -3.920 1.00 0.00 C ATOM 1748 CE LYS A 117 -36.670 29.051 -4.877 1.00 0.00 C ATOM 1749 NZ LYS A 117 -37.544 29.483 -6.002 1.00 0.00 N ATOM 0 H LYS A 117 -34.881 26.069 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 117 -33.544 28.354 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -36.296 28.054 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -36.239 29.234 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -34.917 30.737 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -34.375 29.495 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -37.266 30.430 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -36.111 31.086 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -35.735 28.657 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -37.153 28.239 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -37.724 28.675 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -38.447 29.836 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -37.073 30.240 -6.537 1.00 0.00 H new ATOM 1763 N TRP A 118 -35.450 28.087 0.865 1.00 0.00 N ATOM 1764 CA TRP A 118 -35.487 28.353 2.299 1.00 0.00 C ATOM 1765 C TRP A 118 -36.806 27.882 2.905 1.00 0.00 C ATOM 1766 O TRP A 118 -36.833 27.335 4.007 1.00 0.00 O ATOM 1767 CB TRP A 118 -35.293 29.846 2.568 1.00 0.00 C ATOM 1768 CG TRP A 118 -35.092 30.166 4.017 1.00 0.00 C ATOM 1769 CD1 TRP A 118 -35.964 30.819 4.841 1.00 0.00 C ATOM 1770 CD2 TRP A 118 -33.945 29.851 4.814 1.00 0.00 C ATOM 1771 NE1 TRP A 118 -35.429 30.929 6.102 1.00 0.00 N ATOM 1772 CE2 TRP A 118 -34.191 30.341 6.111 1.00 0.00 C ATOM 1773 CE3 TRP A 118 -32.734 29.201 4.559 1.00 0.00 C ATOM 1774 CZ2 TRP A 118 -33.270 30.202 7.146 1.00 0.00 C ATOM 1775 CZ3 TRP A 118 -31.822 29.063 5.587 1.00 0.00 C ATOM 1776 CH2 TRP A 118 -32.094 29.561 6.868 1.00 0.00 C ATOM 0 H TRP A 118 -36.309 27.687 0.487 1.00 0.00 H new ATOM 0 HA TRP A 118 -34.674 27.799 2.767 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -34.432 30.201 2.002 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -36.163 30.390 2.200 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -36.932 31.194 4.545 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -35.880 31.375 6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -32.515 28.813 3.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -33.477 30.587 8.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -30.883 28.563 5.400 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -31.361 29.436 7.651 1.00 0.00 H new ATOM 1787 N ILE A 119 -37.898 28.100 2.178 1.00 0.00 N ATOM 1788 CA ILE A 119 -39.220 27.700 2.645 1.00 0.00 C ATOM 1789 C ILE A 119 -39.272 26.201 2.933 1.00 0.00 C ATOM 1790 O ILE A 119 -38.582 25.411 2.289 1.00 0.00 O ATOM 1791 CB ILE A 119 -40.311 28.057 1.614 1.00 0.00 C ATOM 1792 CG1 ILE A 119 -41.699 27.725 2.167 1.00 0.00 C ATOM 1793 CG2 ILE A 119 -40.067 27.323 0.303 1.00 0.00 C ATOM 1794 CD1 ILE A 119 -42.784 28.656 1.671 1.00 0.00 C ATOM 0 H ILE A 119 -37.893 28.551 1.263 1.00 0.00 H new ATOM 0 HA ILE A 119 -39.411 28.249 3.567 1.00 0.00 H new ATOM 0 HB ILE A 119 -40.266 29.129 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -41.956 26.702 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -41.667 27.765 3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -40.846 27.587 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -39.094 27.608 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -40.085 26.248 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -43.741 28.362 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -42.550 29.678 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -42.844 28.599 0.584 1.00 0.00 H new ATOM 1806 N ALA A 120 -40.094 25.819 3.904 1.00 0.00 N ATOM 1807 CA ALA A 120 -40.236 24.417 4.279 1.00 0.00 C ATOM 1808 C ALA A 120 -41.043 23.650 3.237 1.00 0.00 C ATOM 1809 O ALA A 120 -40.704 22.521 2.883 1.00 0.00 O ATOM 1810 CB ALA A 120 -40.890 24.300 5.647 1.00 0.00 C ATOM 0 H ALA A 120 -40.672 26.461 4.446 1.00 0.00 H new ATOM 0 HA ALA A 120 -39.240 23.976 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -40.990 23.248 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -40.273 24.806 6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -41.877 24.762 5.619 1.00 0.00 H new ATOM 1816 N SER A 121 -42.113 24.271 2.751 1.00 0.00 N ATOM 1817 CA SER A 121 -42.969 23.646 1.749 1.00 0.00 C ATOM 1818 C SER A 121 -43.576 22.352 2.282 1.00 0.00 C ATOM 1819 O SER A 121 -42.876 21.358 2.472 1.00 0.00 O ATOM 1820 CB SER A 121 -42.173 23.361 0.474 1.00 0.00 C ATOM 1821 OG SER A 121 -42.932 22.589 -0.440 1.00 0.00 O ATOM 0 H SER A 121 -42.408 25.205 3.034 1.00 0.00 H new ATOM 0 HA SER A 121 -43.779 24.338 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 121 -41.881 24.301 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 121 -41.254 22.832 0.726 1.00 0.00 H new ATOM 0 HG SER A 121 -42.401 22.422 -1.247 1.00 0.00 H new ATOM 1827 N SER A 122 -44.884 22.372 2.521 1.00 0.00 N ATOM 1828 CA SER A 122 -45.584 21.199 3.033 1.00 0.00 C ATOM 1829 C SER A 122 -47.046 21.206 2.596 1.00 0.00 C ATOM 1830 O SER A 122 -47.627 22.262 2.347 1.00 0.00 O ATOM 1831 CB SER A 122 -45.496 21.152 4.559 1.00 0.00 C ATOM 1832 OG SER A 122 -44.468 20.272 4.984 1.00 0.00 O ATOM 0 H SER A 122 -45.479 23.186 2.369 1.00 0.00 H new ATOM 0 HA SER A 122 -45.104 20.311 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 122 -45.305 22.153 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 122 -46.451 20.827 4.972 1.00 0.00 H new ATOM 0 HG SER A 122 -43.707 20.336 4.369 1.00 0.00 H new ATOM 1838 N SER A 123 -47.636 20.017 2.504 1.00 0.00 N ATOM 1839 CA SER A 123 -49.030 19.884 2.097 1.00 0.00 C ATOM 1840 C SER A 123 -49.666 18.650 2.728 1.00 0.00 C ATOM 1841 O SER A 123 -49.461 17.528 2.264 1.00 0.00 O ATOM 1842 CB SER A 123 -49.132 19.803 0.573 1.00 0.00 C ATOM 1843 OG SER A 123 -49.356 21.083 0.007 1.00 0.00 O ATOM 0 H SER A 123 -47.170 19.133 2.706 1.00 0.00 H new ATOM 0 HA SER A 123 -49.570 20.765 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 123 -48.214 19.378 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 123 -49.945 19.132 0.295 1.00 0.00 H new ATOM 0 HG SER A 123 -48.920 21.766 0.559 1.00 0.00 H new ATOM 1849 N GLY A 124 -50.438 18.864 3.788 1.00 0.00 N ATOM 1850 CA GLY A 124 -51.092 17.759 4.465 1.00 0.00 C ATOM 1851 C GLY A 124 -50.275 17.223 5.627 1.00 0.00 C ATOM 1852 O GLY A 124 -49.048 17.304 5.613 1.00 0.00 O ATOM 0 H GLY A 124 -50.623 19.783 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -52.066 18.086 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -51.273 16.955 3.751 1.00 0.00 H new ATOM 1856 N PRO A 125 -50.935 16.664 6.655 1.00 0.00 N ATOM 1857 CA PRO A 125 -50.250 16.114 7.830 1.00 0.00 C ATOM 1858 C PRO A 125 -49.481 14.838 7.506 1.00 0.00 C ATOM 1859 O PRO A 125 -48.376 14.625 8.005 1.00 0.00 O ATOM 1860 CB PRO A 125 -51.393 15.817 8.802 1.00 0.00 C ATOM 1861 CG PRO A 125 -52.585 15.610 7.934 1.00 0.00 C ATOM 1862 CD PRO A 125 -52.401 16.526 6.754 1.00 0.00 C ATOM 0 HA PRO A 125 -49.505 16.803 8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -51.182 14.932 9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -51.547 16.643 9.496 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -52.659 14.571 7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -53.504 15.844 8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -52.827 16.101 5.845 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -52.886 17.489 6.913 1.00 0.00 H new ATOM 1870 N SER A 126 -50.073 13.992 6.668 1.00 0.00 N ATOM 1871 CA SER A 126 -49.446 12.733 6.275 1.00 0.00 C ATOM 1872 C SER A 126 -49.393 11.758 7.448 1.00 0.00 C ATOM 1873 O SER A 126 -50.064 10.727 7.441 1.00 0.00 O ATOM 1874 CB SER A 126 -48.034 12.980 5.737 1.00 0.00 C ATOM 1875 OG SER A 126 -47.666 11.987 4.795 1.00 0.00 O ATOM 0 H SER A 126 -50.988 14.155 6.247 1.00 0.00 H new ATOM 0 HA SER A 126 -50.053 12.290 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 126 -47.986 13.964 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 126 -47.322 12.984 6.563 1.00 0.00 H new ATOM 0 HG SER A 126 -46.761 12.168 4.465 1.00 0.00 H new ATOM 1881 N SER A 127 -48.589 12.091 8.453 1.00 0.00 N ATOM 1882 CA SER A 127 -48.449 11.243 9.632 1.00 0.00 C ATOM 1883 C SER A 127 -48.650 12.051 10.911 1.00 0.00 C ATOM 1884 O SER A 127 -47.797 12.053 11.798 1.00 0.00 O ATOM 1885 CB SER A 127 -47.071 10.577 9.644 1.00 0.00 C ATOM 1886 OG SER A 127 -47.151 9.249 10.132 1.00 0.00 O ATOM 0 H SER A 127 -48.025 12.941 8.475 1.00 0.00 H new ATOM 0 HA SER A 127 -49.218 10.471 9.589 1.00 0.00 H new ATOM 0 HB2 SER A 127 -46.657 10.573 8.636 1.00 0.00 H new ATOM 0 HB3 SER A 127 -46.389 11.156 10.267 1.00 0.00 H new ATOM 0 HG SER A 127 -46.258 8.845 10.128 1.00 0.00 H new ATOM 1892 N GLY A 128 -49.786 12.735 10.999 1.00 0.00 N ATOM 1893 CA GLY A 128 -50.080 13.535 12.173 1.00 0.00 C ATOM 1894 C GLY A 128 -51.566 13.619 12.460 1.00 0.00 C ATOM 1895 O GLY A 128 -52.360 13.573 11.497 1.00 0.00 O ATOM 1896 OXT GLY A 128 -51.936 13.732 13.648 1.00 0.00 O ATOM 0 H GLY A 128 -50.508 12.749 10.278 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -49.570 13.108 13.037 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -49.683 14.540 12.033 1.00 0.00 H new TER 1900 GLY A 128