USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 564 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+ 138:sc= 0.046 (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 14 CYS SG : rot -77:sc= -4.65! USER MOD Single : A 22 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.7!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0282 X(o=-0.028,f=-0.19) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -147:sc= -0.113 (180deg=-0.936) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -15:sc= -1.64 USER MOD Single : A 49 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=-0.28) USER MOD Single : A 50 TYR OH : rot 70:sc= -0.122 USER MOD Single : A 54 ASN : amide:sc= -4.79! C(o=-4.8!,f=-4.7!) USER MOD Single : A 62 THR OG1 : rot -140:sc= -2.97 USER MOD Single : A 63 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.29) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -20:sc= 1.68 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.265 -17.630 11.164 1.00 0.00 N ATOM 2 CA GLY A 1 14.203 -17.082 10.200 1.00 0.00 C ATOM 3 C GLY A 1 13.623 -15.845 9.510 1.00 0.00 C ATOM 4 O GLY A 1 12.406 -15.717 9.381 1.00 0.00 O ATOM 0 H1 GLY A 1 13.260 -18.668 11.093 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.551 -17.350 12.124 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.311 -17.265 10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.134 -16.819 10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.446 -17.838 9.454 1.00 0.00 H new ATOM 8 N SER A 2 14.519 -14.967 9.087 1.00 0.00 N ATOM 9 CA SER A 2 14.111 -13.745 8.414 1.00 0.00 C ATOM 10 C SER A 2 15.343 -12.953 7.975 1.00 0.00 C ATOM 11 O SER A 2 16.345 -12.909 8.688 1.00 0.00 O ATOM 12 CB SER A 2 13.224 -12.888 9.320 1.00 0.00 C ATOM 13 OG SER A 2 12.074 -12.401 8.635 1.00 0.00 O ATOM 0 H SER A 2 15.527 -15.077 9.197 1.00 0.00 H new ATOM 0 HA SER A 2 13.530 -14.017 7.533 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.910 -13.477 10.182 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.802 -12.046 9.702 1.00 0.00 H new ATOM 0 HG SER A 2 11.533 -11.860 9.248 1.00 0.00 H new ATOM 18 N SER A 3 15.231 -12.346 6.803 1.00 0.00 N ATOM 19 CA SER A 3 16.323 -11.558 6.260 1.00 0.00 C ATOM 20 C SER A 3 15.776 -10.296 5.589 1.00 0.00 C ATOM 21 O SER A 3 14.576 -10.195 5.334 1.00 0.00 O ATOM 22 CB SER A 3 17.149 -12.373 5.262 1.00 0.00 C ATOM 23 OG SER A 3 16.480 -12.523 4.013 1.00 0.00 O ATOM 0 H SER A 3 14.399 -12.384 6.214 1.00 0.00 H new ATOM 0 HA SER A 3 16.977 -11.270 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.110 -11.884 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.358 -13.357 5.682 1.00 0.00 H new ATOM 0 HG SER A 3 17.040 -13.047 3.403 1.00 0.00 H new ATOM 28 N GLY A 4 16.681 -9.366 5.321 1.00 0.00 N ATOM 29 CA GLY A 4 16.303 -8.116 4.686 1.00 0.00 C ATOM 30 C GLY A 4 15.969 -8.331 3.208 1.00 0.00 C ATOM 31 O GLY A 4 16.727 -8.973 2.484 1.00 0.00 O ATOM 0 H GLY A 4 17.675 -9.454 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.441 -7.689 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.117 -7.397 4.778 1.00 0.00 H new ATOM 35 N SER A 5 14.833 -7.780 2.805 1.00 0.00 N ATOM 36 CA SER A 5 14.389 -7.904 1.427 1.00 0.00 C ATOM 37 C SER A 5 13.527 -6.700 1.045 1.00 0.00 C ATOM 38 O SER A 5 12.858 -6.115 1.896 1.00 0.00 O ATOM 39 CB SER A 5 13.611 -9.204 1.214 1.00 0.00 C ATOM 40 OG SER A 5 12.575 -9.370 2.179 1.00 0.00 O ATOM 0 H SER A 5 14.207 -7.247 3.409 1.00 0.00 H new ATOM 0 HA SER A 5 15.269 -7.930 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.179 -9.208 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.296 -10.050 1.269 1.00 0.00 H new ATOM 0 HG SER A 5 12.101 -10.210 2.008 1.00 0.00 H new ATOM 45 N SER A 6 13.570 -6.364 -0.236 1.00 0.00 N ATOM 46 CA SER A 6 12.801 -5.240 -0.741 1.00 0.00 C ATOM 47 C SER A 6 11.484 -5.735 -1.344 1.00 0.00 C ATOM 48 O SER A 6 11.485 -6.442 -2.351 1.00 0.00 O ATOM 49 CB SER A 6 13.597 -4.451 -1.783 1.00 0.00 C ATOM 50 OG SER A 6 13.673 -3.065 -1.459 1.00 0.00 O ATOM 0 H SER A 6 14.126 -6.851 -0.939 1.00 0.00 H new ATOM 0 HA SER A 6 12.584 -4.573 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.604 -4.862 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.131 -4.570 -2.761 1.00 0.00 H new ATOM 0 HG SER A 6 14.190 -2.596 -2.147 1.00 0.00 H new ATOM 55 N GLY A 7 10.393 -5.345 -0.702 1.00 0.00 N ATOM 56 CA GLY A 7 9.073 -5.741 -1.162 1.00 0.00 C ATOM 57 C GLY A 7 9.058 -7.210 -1.587 1.00 0.00 C ATOM 58 O GLY A 7 8.510 -7.551 -2.635 1.00 0.00 O ATOM 0 H GLY A 7 10.396 -4.759 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.344 -5.581 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.773 -5.113 -2.001 1.00 0.00 H new ATOM 62 N GLY A 8 9.665 -8.040 -0.753 1.00 0.00 N ATOM 63 CA GLY A 8 9.729 -9.465 -1.030 1.00 0.00 C ATOM 64 C GLY A 8 8.424 -9.962 -1.656 1.00 0.00 C ATOM 65 O GLY A 8 8.362 -10.205 -2.860 1.00 0.00 O ATOM 0 H GLY A 8 10.117 -7.753 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.561 -9.671 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.924 -10.010 -0.106 1.00 0.00 H new ATOM 69 N GLU A 9 7.413 -10.095 -0.811 1.00 0.00 N ATOM 70 CA GLU A 9 6.113 -10.558 -1.266 1.00 0.00 C ATOM 71 C GLU A 9 4.999 -9.738 -0.612 1.00 0.00 C ATOM 72 O GLU A 9 4.997 -9.542 0.602 1.00 0.00 O ATOM 73 CB GLU A 9 5.931 -12.051 -0.983 1.00 0.00 C ATOM 74 CG GLU A 9 5.500 -12.287 0.466 1.00 0.00 C ATOM 75 CD GLU A 9 5.978 -13.652 0.965 1.00 0.00 C ATOM 76 OE1 GLU A 9 7.199 -13.772 1.208 1.00 0.00 O ATOM 77 OE2 GLU A 9 5.112 -14.544 1.091 1.00 0.00 O ATOM 0 H GLU A 9 7.468 -9.890 0.187 1.00 0.00 H new ATOM 0 HA GLU A 9 6.057 -10.417 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.184 -12.464 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.865 -12.578 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.906 -11.501 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.414 -12.229 0.540 1.00 0.00 H new ATOM 82 N ILE A 10 4.078 -9.278 -1.447 1.00 0.00 N ATOM 83 CA ILE A 10 2.962 -8.483 -0.966 1.00 0.00 C ATOM 84 C ILE A 10 2.026 -9.370 -0.144 1.00 0.00 C ATOM 85 O ILE A 10 1.323 -10.217 -0.695 1.00 0.00 O ATOM 86 CB ILE A 10 2.269 -7.772 -2.131 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.082 -6.561 -2.595 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.833 -7.392 -1.766 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.009 -5.426 -1.572 1.00 0.00 C ATOM 0 H ILE A 10 4.083 -9.441 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 10 3.315 -7.692 -0.304 1.00 0.00 H new ATOM 0 HB ILE A 10 2.215 -8.465 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.121 -6.853 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.706 -6.213 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.364 -6.888 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.269 -8.292 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.841 -6.724 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.595 -4.578 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.971 -5.120 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.409 -5.770 -0.618 1.00 0.00 H new ATOM 100 N ILE A 11 2.045 -9.147 1.161 1.00 0.00 N ATOM 101 CA ILE A 11 1.207 -9.916 2.066 1.00 0.00 C ATOM 102 C ILE A 11 0.054 -9.038 2.557 1.00 0.00 C ATOM 103 O ILE A 11 0.078 -7.820 2.382 1.00 0.00 O ATOM 104 CB ILE A 11 2.047 -10.517 3.194 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.460 -9.442 4.202 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.254 -11.274 2.636 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.315 -9.124 5.166 1.00 0.00 C ATOM 0 H ILE A 11 2.628 -8.444 1.615 1.00 0.00 H new ATOM 0 HA ILE A 11 0.762 -10.764 1.545 1.00 0.00 H new ATOM 0 HB ILE A 11 1.433 -11.241 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.330 -9.781 4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.756 -8.537 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.834 -11.691 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.910 -12.081 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.879 -10.590 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.636 -8.357 5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.455 -8.762 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.038 -10.026 5.712 1.00 0.00 H new ATOM 118 N GLU A 12 -0.927 -9.690 3.162 1.00 0.00 N ATOM 119 CA GLU A 12 -2.087 -8.984 3.680 1.00 0.00 C ATOM 120 C GLU A 12 -1.701 -8.159 4.909 1.00 0.00 C ATOM 121 O GLU A 12 -1.161 -8.695 5.876 1.00 0.00 O ATOM 122 CB GLU A 12 -3.221 -9.958 4.007 1.00 0.00 C ATOM 123 CG GLU A 12 -3.653 -10.733 2.761 1.00 0.00 C ATOM 124 CD GLU A 12 -4.639 -11.846 3.124 1.00 0.00 C ATOM 125 OE1 GLU A 12 -5.557 -11.555 3.921 1.00 0.00 O ATOM 126 OE2 GLU A 12 -4.451 -12.964 2.596 1.00 0.00 O ATOM 0 H GLU A 12 -0.943 -10.700 3.305 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.448 -8.304 2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.895 -10.655 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.071 -9.409 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.115 -10.052 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.778 -11.162 2.273 1.00 0.00 H new ATOM 131 N GLY A 13 -1.992 -6.869 4.833 1.00 0.00 N ATOM 132 CA GLY A 13 -1.682 -5.965 5.928 1.00 0.00 C ATOM 133 C GLY A 13 -0.718 -4.867 5.476 1.00 0.00 C ATOM 134 O GLY A 13 -0.731 -3.763 6.017 1.00 0.00 O ATOM 0 H GLY A 13 -2.439 -6.428 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.601 -5.515 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.241 -6.525 6.753 1.00 0.00 H new ATOM 138 N CYS A 14 0.096 -5.207 4.487 1.00 0.00 N ATOM 139 CA CYS A 14 1.065 -4.264 3.955 1.00 0.00 C ATOM 140 C CYS A 14 0.329 -2.972 3.597 1.00 0.00 C ATOM 141 O CYS A 14 -0.764 -3.010 3.034 1.00 0.00 O ATOM 142 CB CYS A 14 1.819 -4.844 2.757 1.00 0.00 C ATOM 143 SG CYS A 14 3.165 -5.940 3.336 1.00 0.00 S ATOM 0 H CYS A 14 0.104 -6.124 4.040 1.00 0.00 H new ATOM 0 HA CYS A 14 1.823 -4.052 4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.133 -5.402 2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.231 -4.037 2.151 1.00 0.00 H new ATOM 0 HG CYS A 14 4.160 -5.219 3.761 1.00 0.00 H new ATOM 148 N ARG A 15 0.959 -1.857 3.936 1.00 0.00 N ATOM 149 CA ARG A 15 0.379 -0.554 3.656 1.00 0.00 C ATOM 150 C ARG A 15 1.250 0.212 2.659 1.00 0.00 C ATOM 151 O ARG A 15 2.427 0.460 2.919 1.00 0.00 O ATOM 152 CB ARG A 15 0.234 0.270 4.936 1.00 0.00 C ATOM 153 CG ARG A 15 -1.149 0.076 5.561 1.00 0.00 C ATOM 154 CD ARG A 15 -1.462 1.193 6.558 1.00 0.00 C ATOM 155 NE ARG A 15 -1.641 0.627 7.914 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.630 0.321 8.739 1.00 0.00 C ATOM 157 NH1 ARG A 15 0.636 0.525 8.352 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.886 -0.189 9.951 1.00 0.00 N ATOM 0 H ARG A 15 1.866 -1.829 4.402 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.610 -0.716 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.004 -0.023 5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.391 1.325 4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.907 0.060 4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.192 -0.889 6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.653 1.923 6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.366 1.721 6.253 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.593 0.459 8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.831 0.913 7.429 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.405 0.292 8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.850 -0.344 10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.117 -0.422 10.579 1.00 0.00 H new ATOM 169 N LEU A 16 0.638 0.568 1.538 1.00 0.00 N ATOM 170 CA LEU A 16 1.344 1.301 0.502 1.00 0.00 C ATOM 171 C LEU A 16 0.358 2.212 -0.232 1.00 0.00 C ATOM 172 O LEU A 16 -0.844 1.952 -0.243 1.00 0.00 O ATOM 173 CB LEU A 16 2.093 0.337 -0.421 1.00 0.00 C ATOM 174 CG LEU A 16 1.556 -1.093 -0.475 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.026 -1.106 -0.468 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.129 -1.849 -1.676 1.00 0.00 C ATOM 0 H LEU A 16 -0.338 0.362 1.326 1.00 0.00 H new ATOM 0 HA LEU A 16 2.107 1.943 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.079 0.748 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.136 0.301 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 16 1.887 -1.615 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.329 -2.136 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.338 -0.631 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.346 -0.561 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.731 -2.864 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.849 -1.336 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.216 -1.887 -1.598 1.00 0.00 H new ATOM 187 N PRO A 17 0.918 3.291 -0.844 1.00 0.00 N ATOM 188 CA PRO A 17 0.102 4.242 -1.578 1.00 0.00 C ATOM 189 C PRO A 17 -0.338 3.663 -2.924 1.00 0.00 C ATOM 190 O PRO A 17 0.474 3.521 -3.838 1.00 0.00 O ATOM 191 CB PRO A 17 0.973 5.480 -1.720 1.00 0.00 C ATOM 192 CG PRO A 17 2.399 5.017 -1.472 1.00 0.00 C ATOM 193 CD PRO A 17 2.338 3.631 -0.853 1.00 0.00 C ATOM 0 HA PRO A 17 -0.829 4.483 -1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.871 5.917 -2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.681 6.247 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.961 4.994 -2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.915 5.710 -0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.914 2.912 -1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.752 3.629 0.155 1.00 0.00 H new ATOM 198 N VAL A 18 -1.621 3.345 -3.005 1.00 0.00 N ATOM 199 CA VAL A 18 -2.178 2.786 -4.224 1.00 0.00 C ATOM 200 C VAL A 18 -2.708 3.918 -5.106 1.00 0.00 C ATOM 201 O VAL A 18 -3.688 4.574 -4.757 1.00 0.00 O ATOM 202 CB VAL A 18 -3.247 1.745 -3.882 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.017 1.318 -5.133 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.629 0.536 -3.178 1.00 0.00 C ATOM 0 H VAL A 18 -2.291 3.464 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.406 2.267 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.956 2.206 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.770 0.578 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.505 2.187 -5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.326 0.884 -5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.410 -0.188 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.888 0.074 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.148 0.859 -2.255 1.00 0.00 H new ATOM 214 N LEU A 19 -2.036 4.114 -6.230 1.00 0.00 N ATOM 215 CA LEU A 19 -2.426 5.157 -7.165 1.00 0.00 C ATOM 216 C LEU A 19 -3.949 5.167 -7.303 1.00 0.00 C ATOM 217 O LEU A 19 -4.587 4.117 -7.257 1.00 0.00 O ATOM 218 CB LEU A 19 -1.689 4.988 -8.495 1.00 0.00 C ATOM 219 CG LEU A 19 -2.177 5.866 -9.648 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.492 7.233 -9.625 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.997 5.157 -10.992 1.00 0.00 C ATOM 0 H LEU A 19 -1.223 3.568 -6.515 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.133 6.137 -6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.631 5.194 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.767 3.945 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.245 6.039 -9.516 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.857 7.837 -10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.716 7.736 -8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.414 7.101 -9.719 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.352 5.803 -11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.942 4.933 -11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.569 4.229 -10.993 1.00 0.00 H new ATOM 232 N ARG A 20 -4.488 6.366 -7.468 1.00 0.00 N ATOM 233 CA ARG A 20 -5.925 6.528 -7.613 1.00 0.00 C ATOM 234 C ARG A 20 -6.251 7.921 -8.153 1.00 0.00 C ATOM 235 O ARG A 20 -6.106 8.915 -7.442 1.00 0.00 O ATOM 236 CB ARG A 20 -6.640 6.326 -6.275 1.00 0.00 C ATOM 237 CG ARG A 20 -8.155 6.241 -6.470 1.00 0.00 C ATOM 238 CD ARG A 20 -8.896 6.735 -5.226 1.00 0.00 C ATOM 239 NE ARG A 20 -9.711 7.923 -5.560 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.872 7.877 -6.227 1.00 0.00 C ATOM 241 NH1 ARG A 20 -11.362 6.698 -6.636 1.00 0.00 N ATOM 242 NH2 ARG A 20 -11.543 9.007 -6.486 1.00 0.00 N ATOM 0 H ARG A 20 -3.955 7.235 -7.505 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.274 5.772 -8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.279 5.414 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.402 7.151 -5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.448 6.838 -7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.441 5.211 -6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.536 5.943 -4.835 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.181 6.983 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.367 8.836 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.851 5.837 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.246 6.662 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.170 9.904 -6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.427 8.970 -6.994 1.00 0.00 H new ATOM 253 N ARG A 21 -6.685 7.950 -9.404 1.00 0.00 N ATOM 254 CA ARG A 21 -7.034 9.206 -10.047 1.00 0.00 C ATOM 255 C ARG A 21 -8.437 9.645 -9.628 1.00 0.00 C ATOM 256 O ARG A 21 -9.430 9.054 -10.051 1.00 0.00 O ATOM 257 CB ARG A 21 -6.979 9.078 -11.571 1.00 0.00 C ATOM 258 CG ARG A 21 -5.541 9.188 -12.081 1.00 0.00 C ATOM 259 CD ARG A 21 -5.513 9.513 -13.575 1.00 0.00 C ATOM 260 NE ARG A 21 -4.575 8.605 -14.272 1.00 0.00 N ATOM 261 CZ ARG A 21 -4.127 8.802 -15.519 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.525 9.877 -16.214 1.00 0.00 N ATOM 263 NH2 ARG A 21 -3.277 7.926 -16.073 1.00 0.00 N ATOM 0 H ARG A 21 -6.803 7.124 -9.990 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.307 9.954 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.404 8.121 -11.874 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.590 9.857 -12.027 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.013 9.964 -11.526 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.014 8.251 -11.899 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.513 9.410 -13.997 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.209 10.549 -13.725 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.249 7.778 -13.772 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.170 10.546 -15.793 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.183 10.026 -17.163 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.971 7.109 -15.545 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.936 8.077 -17.023 1.00 0.00 H new ATOM 274 N ASN A 22 -8.477 10.680 -8.802 1.00 0.00 N ATOM 275 CA ASN A 22 -9.743 11.207 -8.321 1.00 0.00 C ATOM 276 C ASN A 22 -10.493 11.862 -9.483 1.00 0.00 C ATOM 277 O ASN A 22 -9.984 11.917 -10.601 1.00 0.00 O ATOM 278 CB ASN A 22 -9.524 12.268 -7.241 1.00 0.00 C ATOM 279 CG ASN A 22 -8.401 13.228 -7.637 1.00 0.00 C ATOM 280 OD1 ASN A 22 -8.479 13.946 -8.620 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.353 13.201 -6.818 1.00 0.00 N ATOM 0 H ASN A 22 -7.652 11.168 -8.453 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.315 10.379 -7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.446 12.827 -7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.278 11.785 -6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.551 13.805 -6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.352 12.576 -6.012 1.00 0.00 H new ATOM 287 N GLN A 23 -11.690 12.340 -9.178 1.00 0.00 N ATOM 288 CA GLN A 23 -12.515 12.988 -10.183 1.00 0.00 C ATOM 289 C GLN A 23 -11.673 13.959 -11.014 1.00 0.00 C ATOM 290 O GLN A 23 -11.535 13.787 -12.225 1.00 0.00 O ATOM 291 CB GLN A 23 -13.702 13.707 -9.538 1.00 0.00 C ATOM 292 CG GLN A 23 -14.976 13.508 -10.362 1.00 0.00 C ATOM 293 CD GLN A 23 -16.093 14.433 -9.874 1.00 0.00 C ATOM 294 OE1 GLN A 23 -17.027 14.023 -9.206 1.00 0.00 O ATOM 295 NE2 GLN A 23 -15.946 15.702 -10.247 1.00 0.00 N ATOM 0 H GLN A 23 -12.108 12.292 -8.249 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.914 12.221 -10.847 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.855 13.329 -8.527 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.483 14.771 -9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.768 13.706 -11.414 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.301 12.470 -10.291 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.139 15.979 -10.807 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -16.640 16.398 -9.973 1.00 0.00 H new ATOM 302 N ASP A 24 -11.132 14.958 -10.332 1.00 0.00 N ATOM 303 CA ASP A 24 -10.307 15.955 -10.993 1.00 0.00 C ATOM 304 C ASP A 24 -9.370 15.261 -11.983 1.00 0.00 C ATOM 305 O ASP A 24 -8.970 15.855 -12.984 1.00 0.00 O ATOM 306 CB ASP A 24 -9.448 16.716 -9.982 1.00 0.00 C ATOM 307 CG ASP A 24 -10.190 17.785 -9.176 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.423 17.638 -9.040 1.00 0.00 O ATOM 309 OD2 ASP A 24 -9.506 18.724 -8.714 1.00 0.00 O ATOM 0 H ASP A 24 -11.249 15.098 -9.328 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.968 16.655 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.009 15.999 -9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.623 17.191 -10.513 1.00 0.00 H new ATOM 313 N ASN A 25 -9.048 14.014 -11.670 1.00 0.00 N ATOM 314 CA ASN A 25 -8.166 13.234 -12.520 1.00 0.00 C ATOM 315 C ASN A 25 -6.712 13.578 -12.191 1.00 0.00 C ATOM 316 O ASN A 25 -5.912 13.837 -13.090 1.00 0.00 O ATOM 317 CB ASN A 25 -8.403 13.550 -13.998 1.00 0.00 C ATOM 318 CG ASN A 25 -8.013 12.363 -14.882 1.00 0.00 C ATOM 319 OD1 ASN A 25 -8.445 11.239 -14.684 1.00 0.00 O ATOM 320 ND2 ASN A 25 -7.174 12.674 -15.866 1.00 0.00 N ATOM 0 H ASN A 25 -9.382 13.525 -10.840 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.371 12.179 -12.339 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.453 13.797 -14.157 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.822 14.427 -14.284 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.854 11.951 -16.511 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.851 13.635 -15.976 1.00 0.00 H new ATOM 326 N GLU A 26 -6.413 13.570 -10.901 1.00 0.00 N ATOM 327 CA GLU A 26 -5.069 13.878 -10.442 1.00 0.00 C ATOM 328 C GLU A 26 -4.438 12.649 -9.783 1.00 0.00 C ATOM 329 O GLU A 26 -4.802 12.285 -8.666 1.00 0.00 O ATOM 330 CB GLU A 26 -5.076 15.071 -9.484 1.00 0.00 C ATOM 331 CG GLU A 26 -5.690 16.305 -10.149 1.00 0.00 C ATOM 332 CD GLU A 26 -5.411 17.566 -9.327 1.00 0.00 C ATOM 333 OE1 GLU A 26 -5.682 17.520 -8.108 1.00 0.00 O ATOM 334 OE2 GLU A 26 -4.934 18.546 -9.938 1.00 0.00 O ATOM 0 H GLU A 26 -7.078 13.355 -10.158 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.465 14.153 -11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.641 14.818 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.057 15.293 -9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.282 16.423 -11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.766 16.167 -10.257 1.00 0.00 H new ATOM 339 N ASP A 27 -3.503 12.047 -10.503 1.00 0.00 N ATOM 340 CA ASP A 27 -2.818 10.866 -10.003 1.00 0.00 C ATOM 341 C ASP A 27 -2.533 11.043 -8.510 1.00 0.00 C ATOM 342 O ASP A 27 -1.598 11.747 -8.133 1.00 0.00 O ATOM 343 CB ASP A 27 -1.483 10.660 -10.719 1.00 0.00 C ATOM 344 CG ASP A 27 -0.412 11.707 -10.406 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.645 12.882 -10.767 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.614 11.311 -9.813 1.00 0.00 O ATOM 0 H ASP A 27 -3.203 12.354 -11.428 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.459 10.002 -10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.095 9.676 -10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.662 10.655 -11.794 1.00 0.00 H new ATOM 350 N GLU A 28 -3.356 10.391 -7.702 1.00 0.00 N ATOM 351 CA GLU A 28 -3.202 10.467 -6.259 1.00 0.00 C ATOM 352 C GLU A 28 -2.409 9.264 -5.744 1.00 0.00 C ATOM 353 O GLU A 28 -2.145 8.324 -6.493 1.00 0.00 O ATOM 354 CB GLU A 28 -4.564 10.561 -5.568 1.00 0.00 C ATOM 355 CG GLU A 28 -4.411 11.014 -4.114 1.00 0.00 C ATOM 356 CD GLU A 28 -5.610 11.857 -3.673 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.745 11.359 -3.840 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.366 12.978 -3.180 1.00 0.00 O ATOM 0 H GLU A 28 -4.131 9.808 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.645 11.373 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.201 11.263 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.060 9.591 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.317 10.143 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.494 11.594 -4.004 1.00 0.00 H new ATOM 363 N TRP A 29 -2.052 9.331 -4.471 1.00 0.00 N ATOM 364 CA TRP A 29 -1.294 8.259 -3.848 1.00 0.00 C ATOM 365 C TRP A 29 -1.747 8.144 -2.392 1.00 0.00 C ATOM 366 O TRP A 29 -0.966 8.391 -1.474 1.00 0.00 O ATOM 367 CB TRP A 29 0.211 8.498 -3.989 1.00 0.00 C ATOM 368 CG TRP A 29 0.724 8.398 -5.427 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.905 9.391 -6.309 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.118 7.194 -6.118 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.385 8.917 -7.513 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.519 7.538 -7.393 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.137 5.858 -5.680 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.966 6.604 -8.335 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.586 4.936 -6.633 1.00 0.00 C ATOM 376 CH2 TRP A 29 1.992 5.267 -7.921 1.00 0.00 C ATOM 0 H TRP A 29 -2.274 10.111 -3.853 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.486 7.310 -4.348 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.450 9.486 -3.597 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.743 7.773 -3.373 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.701 10.431 -6.103 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.602 9.475 -8.339 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.829 5.566 -4.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.274 6.899 -9.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.619 3.895 -6.348 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.326 4.496 -8.599 1.00 0.00 H new ATOM 386 N PRO A 30 -3.040 7.759 -2.220 1.00 0.00 N ATOM 387 CA PRO A 30 -3.607 7.609 -0.890 1.00 0.00 C ATOM 388 C PRO A 30 -3.100 6.329 -0.220 1.00 0.00 C ATOM 389 O PRO A 30 -2.733 5.372 -0.901 1.00 0.00 O ATOM 390 CB PRO A 30 -5.111 7.614 -1.101 1.00 0.00 C ATOM 391 CG PRO A 30 -5.328 7.301 -2.572 1.00 0.00 C ATOM 392 CD PRO A 30 -3.993 7.459 -3.284 1.00 0.00 C ATOM 0 HA PRO A 30 -3.311 8.410 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.596 6.871 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.538 8.582 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.708 6.287 -2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.071 7.974 -3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.718 6.549 -3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.030 8.261 -4.021 1.00 0.00 H new ATOM 397 N LEU A 31 -3.098 6.353 1.104 1.00 0.00 N ATOM 398 CA LEU A 31 -2.644 5.208 1.873 1.00 0.00 C ATOM 399 C LEU A 31 -3.674 4.082 1.760 1.00 0.00 C ATOM 400 O LEU A 31 -4.861 4.296 1.999 1.00 0.00 O ATOM 401 CB LEU A 31 -2.337 5.618 3.315 1.00 0.00 C ATOM 402 CG LEU A 31 -1.248 4.810 4.024 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.718 3.380 4.301 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.061 4.842 3.233 1.00 0.00 C ATOM 0 H LEU A 31 -3.404 7.148 1.664 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.707 4.825 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.044 6.668 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.255 5.542 3.897 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.051 5.276 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.925 2.828 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.604 3.405 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.960 2.888 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.818 4.260 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.102 4.416 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.400 5.873 3.133 1.00 0.00 H new ATOM 415 N ALA A 32 -3.182 2.908 1.393 1.00 0.00 N ATOM 416 CA ALA A 32 -4.044 1.748 1.245 1.00 0.00 C ATOM 417 C ALA A 32 -3.406 0.549 1.948 1.00 0.00 C ATOM 418 O ALA A 32 -2.181 0.442 2.012 1.00 0.00 O ATOM 419 CB ALA A 32 -4.297 1.486 -0.241 1.00 0.00 C ATOM 0 H ALA A 32 -2.197 2.735 1.194 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.011 1.927 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.944 0.616 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.779 2.356 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.348 1.300 -0.744 1.00 0.00 H new ATOM 425 N GLU A 33 -4.263 -0.323 2.457 1.00 0.00 N ATOM 426 CA GLU A 33 -3.797 -1.511 3.153 1.00 0.00 C ATOM 427 C GLU A 33 -4.209 -2.771 2.388 1.00 0.00 C ATOM 428 O GLU A 33 -5.351 -2.888 1.947 1.00 0.00 O ATOM 429 CB GLU A 33 -4.322 -1.546 4.590 1.00 0.00 C ATOM 430 CG GLU A 33 -3.591 -2.606 5.416 1.00 0.00 C ATOM 431 CD GLU A 33 -4.348 -2.912 6.709 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.586 -3.057 6.622 1.00 0.00 O ATOM 433 OE2 GLU A 33 -3.670 -2.994 7.758 1.00 0.00 O ATOM 0 H GLU A 33 -5.277 -0.231 2.402 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.708 -1.477 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.193 -0.567 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.391 -1.757 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.483 -3.518 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.586 -2.258 5.653 1.00 0.00 H new ATOM 438 N ILE A 34 -3.255 -3.681 2.255 1.00 0.00 N ATOM 439 CA ILE A 34 -3.504 -4.928 1.550 1.00 0.00 C ATOM 440 C ILE A 34 -4.503 -5.769 2.348 1.00 0.00 C ATOM 441 O ILE A 34 -4.428 -5.829 3.575 1.00 0.00 O ATOM 442 CB ILE A 34 -2.188 -5.650 1.257 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.222 -4.740 0.495 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.437 -6.967 0.519 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.521 -4.757 -1.006 1.00 0.00 C ATOM 0 H ILE A 34 -2.309 -3.580 2.623 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.956 -4.732 0.578 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.716 -5.898 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.301 -3.721 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.196 -5.066 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.485 -7.460 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.062 -7.616 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.942 -6.765 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.820 -4.102 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.417 -5.773 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.539 -4.408 -1.178 1.00 0.00 H new ATOM 456 N LEU A 35 -5.413 -6.397 1.620 1.00 0.00 N ATOM 457 CA LEU A 35 -6.425 -7.233 2.245 1.00 0.00 C ATOM 458 C LEU A 35 -6.283 -8.667 1.733 1.00 0.00 C ATOM 459 O LEU A 35 -6.234 -9.610 2.522 1.00 0.00 O ATOM 460 CB LEU A 35 -7.818 -6.638 2.031 1.00 0.00 C ATOM 461 CG LEU A 35 -7.989 -5.171 2.430 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.439 -4.718 2.243 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.491 -4.928 3.856 1.00 0.00 C ATOM 0 H LEU A 35 -5.472 -6.344 0.603 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.280 -7.264 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.077 -6.740 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.536 -7.233 2.595 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.373 -4.563 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.534 -3.672 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.724 -4.831 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.094 -5.328 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.624 -3.877 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.059 -5.547 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.434 -5.186 3.921 1.00 0.00 H new ATOM 474 N SER A 36 -6.221 -8.788 0.415 1.00 0.00 N ATOM 475 CA SER A 36 -6.086 -10.092 -0.212 1.00 0.00 C ATOM 476 C SER A 36 -5.352 -9.957 -1.547 1.00 0.00 C ATOM 477 O SER A 36 -5.444 -8.924 -2.208 1.00 0.00 O ATOM 478 CB SER A 36 -7.453 -10.747 -0.421 1.00 0.00 C ATOM 479 OG SER A 36 -7.404 -12.158 -0.227 1.00 0.00 O ATOM 0 H SER A 36 -6.262 -8.004 -0.236 1.00 0.00 H new ATOM 0 HA SER A 36 -5.505 -10.732 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.174 -10.311 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.808 -10.532 -1.429 1.00 0.00 H new ATOM 0 HG SER A 36 -8.296 -12.539 -0.368 1.00 0.00 H new ATOM 484 N VAL A 37 -4.641 -11.016 -1.905 1.00 0.00 N ATOM 485 CA VAL A 37 -3.891 -11.028 -3.150 1.00 0.00 C ATOM 486 C VAL A 37 -4.508 -12.056 -4.101 1.00 0.00 C ATOM 487 O VAL A 37 -5.339 -12.866 -3.691 1.00 0.00 O ATOM 488 CB VAL A 37 -2.411 -11.289 -2.867 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.617 -11.409 -4.170 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.825 -10.201 -1.966 1.00 0.00 C ATOM 0 H VAL A 37 -4.568 -11.872 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.948 -10.056 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.333 -12.239 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.568 -11.594 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.011 -12.236 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.706 -10.482 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.772 -10.411 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.921 -9.232 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.364 -10.184 -1.019 1.00 0.00 H new ATOM 500 N LYS A 38 -4.079 -11.990 -5.353 1.00 0.00 N ATOM 501 CA LYS A 38 -4.579 -12.905 -6.365 1.00 0.00 C ATOM 502 C LYS A 38 -3.598 -12.945 -7.538 1.00 0.00 C ATOM 503 O LYS A 38 -2.567 -12.275 -7.513 1.00 0.00 O ATOM 504 CB LYS A 38 -6.006 -12.528 -6.770 1.00 0.00 C ATOM 505 CG LYS A 38 -6.770 -13.751 -7.281 1.00 0.00 C ATOM 506 CD LYS A 38 -7.143 -13.586 -8.756 1.00 0.00 C ATOM 507 CE LYS A 38 -8.661 -13.497 -8.931 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.318 -14.697 -8.368 1.00 0.00 N ATOM 0 H LYS A 38 -3.391 -11.317 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.642 -13.917 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.529 -12.098 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.978 -11.762 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.160 -14.645 -7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.673 -13.895 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.674 -12.687 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.756 -14.428 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.038 -12.602 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.906 -13.403 -9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.166 -14.923 -8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.659 -15.501 -8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.592 -14.512 -7.382 1.00 0.00 H new ATOM 518 N ASP A 39 -3.954 -13.738 -8.538 1.00 0.00 N ATOM 519 CA ASP A 39 -3.118 -13.875 -9.719 1.00 0.00 C ATOM 520 C ASP A 39 -3.957 -14.429 -10.871 1.00 0.00 C ATOM 521 O ASP A 39 -4.567 -15.490 -10.746 1.00 0.00 O ATOM 522 CB ASP A 39 -1.963 -14.845 -9.465 1.00 0.00 C ATOM 523 CG ASP A 39 -1.375 -15.493 -10.722 1.00 0.00 C ATOM 524 OD1 ASP A 39 -1.924 -16.539 -11.130 1.00 0.00 O ATOM 525 OD2 ASP A 39 -0.391 -14.927 -11.245 1.00 0.00 O ATOM 0 H ASP A 39 -4.810 -14.292 -8.555 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.716 -12.892 -9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.168 -14.312 -8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.310 -15.633 -8.797 1.00 0.00 H new ATOM 529 N ILE A 40 -3.961 -13.686 -11.969 1.00 0.00 N ATOM 530 CA ILE A 40 -4.715 -14.090 -13.143 1.00 0.00 C ATOM 531 C ILE A 40 -3.792 -14.085 -14.363 1.00 0.00 C ATOM 532 O ILE A 40 -3.925 -13.236 -15.243 1.00 0.00 O ATOM 533 CB ILE A 40 -5.959 -13.213 -13.309 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.873 -13.323 -12.087 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.695 -13.546 -14.607 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.598 -12.002 -11.824 1.00 0.00 C ATOM 0 H ILE A 40 -3.454 -12.807 -12.070 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.085 -15.109 -13.026 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.638 -12.174 -13.379 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.603 -14.117 -12.245 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.285 -13.600 -11.212 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.575 -12.909 -14.700 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.032 -13.376 -15.455 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.004 -14.591 -14.592 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.241 -12.108 -10.950 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.866 -11.215 -11.643 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.204 -11.741 -12.691 1.00 0.00 H new ATOM 547 N SER A 41 -2.877 -15.043 -14.377 1.00 0.00 N ATOM 548 CA SER A 41 -1.933 -15.159 -15.475 1.00 0.00 C ATOM 549 C SER A 41 -0.865 -14.069 -15.365 1.00 0.00 C ATOM 550 O SER A 41 -0.633 -13.324 -16.315 1.00 0.00 O ATOM 551 CB SER A 41 -2.645 -15.070 -16.826 1.00 0.00 C ATOM 552 OG SER A 41 -2.191 -16.070 -17.736 1.00 0.00 O ATOM 0 H SER A 41 -2.769 -15.746 -13.646 1.00 0.00 H new ATOM 0 HA SER A 41 -1.454 -16.136 -15.411 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.720 -15.176 -16.677 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.479 -14.084 -17.259 1.00 0.00 H new ATOM 0 HG SER A 41 -2.671 -15.981 -18.586 1.00 0.00 H new ATOM 557 N GLY A 42 -0.242 -14.011 -14.197 1.00 0.00 N ATOM 558 CA GLY A 42 0.795 -13.024 -13.950 1.00 0.00 C ATOM 559 C GLY A 42 0.199 -11.729 -13.397 1.00 0.00 C ATOM 560 O GLY A 42 0.875 -10.982 -12.691 1.00 0.00 O ATOM 0 H GLY A 42 -0.436 -14.632 -13.411 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.522 -13.424 -13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.331 -12.815 -14.876 1.00 0.00 H new ATOM 564 N ARG A 43 -1.061 -11.501 -13.739 1.00 0.00 N ATOM 565 CA ARG A 43 -1.756 -10.308 -13.286 1.00 0.00 C ATOM 566 C ARG A 43 -2.184 -10.466 -11.826 1.00 0.00 C ATOM 567 O ARG A 43 -3.322 -10.840 -11.546 1.00 0.00 O ATOM 568 CB ARG A 43 -2.990 -10.029 -14.145 1.00 0.00 C ATOM 569 CG ARG A 43 -3.355 -8.544 -14.116 1.00 0.00 C ATOM 570 CD ARG A 43 -4.378 -8.252 -13.017 1.00 0.00 C ATOM 571 NE ARG A 43 -5.594 -7.646 -13.605 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.609 -6.480 -14.264 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.474 -5.786 -14.423 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.758 -6.008 -14.764 1.00 0.00 N ATOM 0 H ARG A 43 -1.619 -12.123 -14.325 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.067 -9.468 -13.378 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.800 -10.340 -15.172 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.831 -10.621 -13.783 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.457 -7.948 -13.950 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.760 -8.247 -15.083 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.637 -9.174 -12.496 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.947 -7.577 -12.277 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.476 -8.148 -13.502 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.599 -6.146 -14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.485 -4.898 -14.925 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.622 -6.536 -14.643 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.769 -5.120 -15.266 1.00 0.00 H new ATOM 585 N LYS A 44 -1.250 -10.173 -10.932 1.00 0.00 N ATOM 586 CA LYS A 44 -1.517 -10.277 -9.508 1.00 0.00 C ATOM 587 C LYS A 44 -2.475 -9.160 -9.090 1.00 0.00 C ATOM 588 O LYS A 44 -2.241 -7.992 -9.394 1.00 0.00 O ATOM 589 CB LYS A 44 -0.207 -10.294 -8.717 1.00 0.00 C ATOM 590 CG LYS A 44 0.137 -11.711 -8.254 1.00 0.00 C ATOM 591 CD LYS A 44 0.341 -11.757 -6.738 1.00 0.00 C ATOM 592 CE LYS A 44 1.691 -11.150 -6.349 1.00 0.00 C ATOM 593 NZ LYS A 44 2.751 -12.182 -6.380 1.00 0.00 N ATOM 0 H LYS A 44 -0.307 -9.863 -11.167 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.011 -11.222 -9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.601 -9.904 -9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.292 -9.636 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.663 -12.395 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.042 -12.052 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.463 -11.213 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.289 -12.789 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.943 -10.340 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.627 -10.716 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.660 -11.754 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.516 -12.941 -5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.822 -12.578 -7.339 1.00 0.00 H new ATOM 603 N LEU A 45 -3.532 -9.559 -8.398 1.00 0.00 N ATOM 604 CA LEU A 45 -4.526 -8.606 -7.934 1.00 0.00 C ATOM 605 C LEU A 45 -4.424 -8.468 -6.414 1.00 0.00 C ATOM 606 O LEU A 45 -4.137 -9.439 -5.716 1.00 0.00 O ATOM 607 CB LEU A 45 -5.920 -9.005 -8.424 1.00 0.00 C ATOM 608 CG LEU A 45 -6.515 -8.138 -9.535 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.411 -7.506 -10.387 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.506 -8.937 -10.383 1.00 0.00 C ATOM 0 H LEU A 45 -3.722 -10.529 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.335 -7.620 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.878 -10.035 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.601 -8.988 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.072 -7.323 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.860 -6.895 -11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.778 -6.881 -9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.808 -8.292 -10.842 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.914 -8.297 -11.165 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.994 -9.785 -10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.317 -9.299 -9.751 1.00 0.00 H new ATOM 621 N PHE A 46 -4.664 -7.252 -5.945 1.00 0.00 N ATOM 622 CA PHE A 46 -4.602 -6.975 -4.520 1.00 0.00 C ATOM 623 C PHE A 46 -5.752 -6.061 -4.089 1.00 0.00 C ATOM 624 O PHE A 46 -5.928 -4.977 -4.642 1.00 0.00 O ATOM 625 CB PHE A 46 -3.275 -6.258 -4.261 1.00 0.00 C ATOM 626 CG PHE A 46 -2.065 -6.938 -4.908 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.687 -6.595 -6.168 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.368 -7.883 -4.222 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.565 -7.225 -6.769 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.246 -8.513 -4.821 1.00 0.00 C ATOM 631 CZ PHE A 46 0.132 -8.170 -6.083 1.00 0.00 C ATOM 0 H PHE A 46 -4.902 -6.448 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.680 -7.905 -3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.347 -5.236 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.112 -6.195 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.240 -5.843 -6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.668 -8.154 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.265 -6.954 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.307 -9.264 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.986 -8.649 -6.540 1.00 0.00 H new ATOM 640 N TYR A 47 -6.505 -6.535 -3.108 1.00 0.00 N ATOM 641 CA TYR A 47 -7.633 -5.776 -2.596 1.00 0.00 C ATOM 642 C TYR A 47 -7.188 -4.801 -1.504 1.00 0.00 C ATOM 643 O TYR A 47 -7.120 -5.166 -0.331 1.00 0.00 O ATOM 644 CB TYR A 47 -8.591 -6.801 -1.988 1.00 0.00 C ATOM 645 CG TYR A 47 -10.012 -6.276 -1.775 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.664 -5.616 -2.797 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.643 -6.463 -0.562 1.00 0.00 C ATOM 648 CE1 TYR A 47 -12.001 -5.121 -2.598 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.980 -5.968 -0.362 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.594 -5.322 -1.389 1.00 0.00 C ATOM 651 OH TYR A 47 -13.857 -4.855 -1.201 1.00 0.00 O ATOM 0 H TYR A 47 -6.356 -7.436 -2.654 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.096 -5.193 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.631 -7.675 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.190 -7.134 -1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.171 -5.471 -3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.134 -6.981 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.522 -4.602 -3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.484 -6.107 0.583 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.079 -4.218 -1.912 1.00 0.00 H new ATOM 660 N VAL A 48 -6.897 -3.580 -1.928 1.00 0.00 N ATOM 661 CA VAL A 48 -6.461 -2.550 -1.001 1.00 0.00 C ATOM 662 C VAL A 48 -7.663 -1.699 -0.588 1.00 0.00 C ATOM 663 O VAL A 48 -8.641 -1.600 -1.327 1.00 0.00 O ATOM 664 CB VAL A 48 -5.332 -1.727 -1.627 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.191 -2.630 -2.096 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.856 -0.862 -2.775 1.00 0.00 C ATOM 0 H VAL A 48 -6.955 -3.281 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.054 -2.999 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.937 -1.061 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.402 -2.020 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.791 -3.182 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.565 -3.332 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.034 -0.288 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.290 -1.501 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.618 -0.180 -2.398 1.00 0.00 H new ATOM 676 N HIS A 49 -7.550 -1.107 0.592 1.00 0.00 N ATOM 677 CA HIS A 49 -8.616 -0.267 1.113 1.00 0.00 C ATOM 678 C HIS A 49 -8.047 1.095 1.516 1.00 0.00 C ATOM 679 O HIS A 49 -7.224 1.182 2.426 1.00 0.00 O ATOM 680 CB HIS A 49 -9.348 -0.967 2.259 1.00 0.00 C ATOM 681 CG HIS A 49 -10.176 -0.040 3.116 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.273 0.651 2.632 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.055 0.304 4.431 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.782 1.374 3.618 1.00 0.00 C ATOM 685 NE2 HIS A 49 -11.025 1.158 4.732 1.00 0.00 N ATOM 0 H HIS A 49 -6.737 -1.192 1.202 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.360 -0.094 0.336 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.997 -1.738 1.844 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.616 -1.471 2.890 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.298 -0.057 5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.644 2.021 3.552 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.179 1.583 5.646 1.00 0.00 H new ATOM 692 N TYR A 50 -8.508 2.123 0.819 1.00 0.00 N ATOM 693 CA TYR A 50 -8.054 3.475 1.093 1.00 0.00 C ATOM 694 C TYR A 50 -8.346 3.869 2.543 1.00 0.00 C ATOM 695 O TYR A 50 -9.461 3.683 3.028 1.00 0.00 O ATOM 696 CB TYR A 50 -8.855 4.386 0.160 1.00 0.00 C ATOM 697 CG TYR A 50 -8.688 4.056 -1.325 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.437 3.774 -1.832 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.790 4.042 -2.157 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.280 3.464 -3.230 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.633 3.732 -3.554 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.386 3.457 -4.022 1.00 0.00 C ATOM 703 OH TYR A 50 -8.238 3.164 -5.341 1.00 0.00 O ATOM 0 H TYR A 50 -9.191 2.047 0.065 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.978 3.557 0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.911 4.318 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.551 5.419 0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.575 3.786 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.770 4.264 -1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.306 3.242 -3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.486 3.718 -4.216 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.009 2.216 -5.442 1.00 0.00 H new ATOM 712 N ILE A 51 -7.324 4.403 3.194 1.00 0.00 N ATOM 713 CA ILE A 51 -7.457 4.823 4.579 1.00 0.00 C ATOM 714 C ILE A 51 -7.187 6.327 4.679 1.00 0.00 C ATOM 715 O ILE A 51 -6.052 6.744 4.901 1.00 0.00 O ATOM 716 CB ILE A 51 -6.560 3.977 5.484 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.145 3.870 4.910 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.180 2.602 5.739 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.910 2.495 4.283 1.00 0.00 C ATOM 0 H ILE A 51 -6.400 4.555 2.789 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.475 4.656 4.932 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.479 4.478 6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.993 4.646 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.414 4.043 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.522 2.020 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.149 2.724 6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.311 2.080 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.897 2.446 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.038 1.723 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.627 2.335 3.477 1.00 0.00 H new ATOM 730 N ASP A 52 -8.252 7.098 4.512 1.00 0.00 N ATOM 731 CA ASP A 52 -8.145 8.545 4.580 1.00 0.00 C ATOM 732 C ASP A 52 -9.518 9.167 4.315 1.00 0.00 C ATOM 733 O ASP A 52 -9.951 9.257 3.167 1.00 0.00 O ATOM 734 CB ASP A 52 -7.173 9.077 3.524 1.00 0.00 C ATOM 735 CG ASP A 52 -6.121 10.056 4.048 1.00 0.00 C ATOM 736 OD1 ASP A 52 -6.489 11.234 4.245 1.00 0.00 O ATOM 737 OD2 ASP A 52 -4.972 9.604 4.241 1.00 0.00 O ATOM 0 H ASP A 52 -9.192 6.748 4.330 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.779 8.809 5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.663 8.231 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.747 9.570 2.739 1.00 0.00 H new ATOM 741 N PHE A 53 -10.164 9.580 5.395 1.00 0.00 N ATOM 742 CA PHE A 53 -11.478 10.190 5.294 1.00 0.00 C ATOM 743 C PHE A 53 -12.361 9.428 4.303 1.00 0.00 C ATOM 744 O PHE A 53 -12.309 9.679 3.100 1.00 0.00 O ATOM 745 CB PHE A 53 -11.271 11.617 4.780 1.00 0.00 C ATOM 746 CG PHE A 53 -11.751 12.702 5.746 1.00 0.00 C ATOM 747 CD1 PHE A 53 -11.081 12.924 6.908 1.00 0.00 C ATOM 748 CD2 PHE A 53 -12.851 13.443 5.442 1.00 0.00 C ATOM 749 CE1 PHE A 53 -11.527 13.932 7.803 1.00 0.00 C ATOM 750 CE2 PHE A 53 -13.298 14.450 6.339 1.00 0.00 C ATOM 751 CZ PHE A 53 -12.626 14.673 7.500 1.00 0.00 C ATOM 0 H PHE A 53 -9.801 9.504 6.345 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.971 10.175 6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.211 11.769 4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -11.797 11.731 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.210 12.334 7.150 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.384 13.266 4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.993 14.110 8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -14.171 15.038 6.099 1.00 0.00 H new ATOM 0 HZ PHE A 53 -12.965 15.439 8.182 1.00 0.00 H new ATOM 760 N ASN A 54 -13.152 8.515 4.846 1.00 0.00 N ATOM 761 CA ASN A 54 -14.045 7.714 4.027 1.00 0.00 C ATOM 762 C ASN A 54 -14.741 6.673 4.904 1.00 0.00 C ATOM 763 O ASN A 54 -14.210 6.274 5.939 1.00 0.00 O ATOM 764 CB ASN A 54 -13.273 6.973 2.933 1.00 0.00 C ATOM 765 CG ASN A 54 -13.363 7.715 1.598 1.00 0.00 C ATOM 766 OD1 ASN A 54 -14.426 8.113 1.151 1.00 0.00 O ATOM 767 ND2 ASN A 54 -12.192 7.879 0.991 1.00 0.00 N ATOM 0 H ASN A 54 -13.193 8.312 5.845 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.770 8.384 3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.228 6.871 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.673 5.965 2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.146 8.364 0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.340 7.520 1.422 1.00 0.00 H new ATOM 773 N ARG A 55 -15.919 6.261 4.458 1.00 0.00 N ATOM 774 CA ARG A 55 -16.692 5.273 5.190 1.00 0.00 C ATOM 775 C ARG A 55 -16.167 3.866 4.900 1.00 0.00 C ATOM 776 O ARG A 55 -15.757 3.151 5.813 1.00 0.00 O ATOM 777 CB ARG A 55 -18.173 5.345 4.815 1.00 0.00 C ATOM 778 CG ARG A 55 -18.955 6.187 5.826 1.00 0.00 C ATOM 779 CD ARG A 55 -19.081 7.637 5.351 1.00 0.00 C ATOM 780 NE ARG A 55 -18.193 8.509 6.151 1.00 0.00 N ATOM 781 CZ ARG A 55 -18.307 8.688 7.473 1.00 0.00 C ATOM 782 NH1 ARG A 55 -19.272 8.055 8.154 1.00 0.00 N ATOM 783 NH2 ARG A 55 -17.456 9.499 8.116 1.00 0.00 N ATOM 0 H ARG A 55 -16.356 6.594 3.599 1.00 0.00 H new ATOM 0 HA ARG A 55 -16.587 5.491 6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -18.279 5.775 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -18.591 4.339 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -19.948 5.760 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -18.453 6.160 6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -18.819 7.707 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -20.114 7.971 5.445 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.446 9.005 5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -19.920 7.437 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.359 8.191 9.161 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.721 9.980 7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.543 9.635 9.123 1.00 0.00 H new ATOM 794 N ARG A 56 -16.195 3.510 3.624 1.00 0.00 N ATOM 795 CA ARG A 56 -15.728 2.201 3.201 1.00 0.00 C ATOM 796 C ARG A 56 -15.775 2.087 1.676 1.00 0.00 C ATOM 797 O ARG A 56 -16.800 2.374 1.060 1.00 0.00 O ATOM 798 CB ARG A 56 -16.577 1.087 3.815 1.00 0.00 C ATOM 799 CG ARG A 56 -18.033 1.194 3.357 1.00 0.00 C ATOM 800 CD ARG A 56 -18.953 0.367 4.260 1.00 0.00 C ATOM 801 NE ARG A 56 -20.100 -0.147 3.478 1.00 0.00 N ATOM 802 CZ ARG A 56 -21.180 -0.725 4.021 1.00 0.00 C ATOM 803 NH1 ARG A 56 -21.268 -0.866 5.350 1.00 0.00 N ATOM 804 NH2 ARG A 56 -22.173 -1.161 3.234 1.00 0.00 N ATOM 0 H ARG A 56 -16.534 4.106 2.869 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.700 2.090 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.172 0.116 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -16.529 1.145 4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -18.347 2.238 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -18.121 0.848 2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -18.398 -0.464 4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -19.311 0.980 5.087 1.00 0.00 H new ATOM 0 HE ARG A 56 -20.066 -0.055 2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.513 -0.533 5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -22.090 -1.306 5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -22.107 -1.053 2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -22.995 -1.601 3.647 1.00 0.00 H new ATOM 815 N LEU A 57 -14.652 1.669 1.111 1.00 0.00 N ATOM 816 CA LEU A 57 -14.553 1.513 -0.331 1.00 0.00 C ATOM 817 C LEU A 57 -14.100 0.089 -0.656 1.00 0.00 C ATOM 818 O LEU A 57 -14.907 -0.743 -1.069 1.00 0.00 O ATOM 819 CB LEU A 57 -13.650 2.596 -0.925 1.00 0.00 C ATOM 820 CG LEU A 57 -13.974 4.036 -0.521 1.00 0.00 C ATOM 821 CD1 LEU A 57 -12.780 4.693 0.175 1.00 0.00 C ATOM 822 CD2 LEU A 57 -14.452 4.849 -1.726 1.00 0.00 C ATOM 0 H LEU A 57 -13.803 1.434 1.625 1.00 0.00 H new ATOM 0 HA LEU A 57 -15.528 1.651 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.621 2.382 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.698 2.525 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.793 4.012 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.037 5.715 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.525 4.128 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.925 4.704 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.676 5.868 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.671 4.867 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.351 4.392 -2.140 1.00 0.00 H new ATOM 833 N ASP A 58 -12.812 -0.148 -0.458 1.00 0.00 N ATOM 834 CA ASP A 58 -12.243 -1.458 -0.725 1.00 0.00 C ATOM 835 C ASP A 58 -12.414 -1.791 -2.209 1.00 0.00 C ATOM 836 O ASP A 58 -13.536 -1.910 -2.697 1.00 0.00 O ATOM 837 CB ASP A 58 -12.953 -2.543 0.087 1.00 0.00 C ATOM 838 CG ASP A 58 -13.276 -2.162 1.533 1.00 0.00 C ATOM 839 OD1 ASP A 58 -14.320 -1.502 1.725 1.00 0.00 O ATOM 840 OD2 ASP A 58 -12.471 -2.537 2.412 1.00 0.00 O ATOM 0 H ASP A 58 -12.146 0.545 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.189 -1.431 -0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.882 -2.805 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.330 -3.437 0.093 1.00 0.00 H new ATOM 844 N GLU A 59 -11.282 -1.931 -2.885 1.00 0.00 N ATOM 845 CA GLU A 59 -11.293 -2.248 -4.303 1.00 0.00 C ATOM 846 C GLU A 59 -9.979 -2.920 -4.707 1.00 0.00 C ATOM 847 O GLU A 59 -8.941 -2.680 -4.093 1.00 0.00 O ATOM 848 CB GLU A 59 -11.547 -0.993 -5.143 1.00 0.00 C ATOM 849 CG GLU A 59 -10.327 -0.070 -5.133 1.00 0.00 C ATOM 850 CD GLU A 59 -10.463 1.029 -6.188 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.399 1.844 -6.040 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.627 1.029 -7.118 1.00 0.00 O ATOM 0 H GLU A 59 -10.353 -1.831 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.109 -2.945 -4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.783 -1.279 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.414 -0.460 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.215 0.380 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.425 -0.652 -5.323 1.00 0.00 H new ATOM 857 N TRP A 60 -10.068 -3.750 -5.735 1.00 0.00 N ATOM 858 CA TRP A 60 -8.899 -4.460 -6.227 1.00 0.00 C ATOM 859 C TRP A 60 -8.031 -3.463 -6.999 1.00 0.00 C ATOM 860 O TRP A 60 -8.547 -2.522 -7.602 1.00 0.00 O ATOM 861 CB TRP A 60 -9.307 -5.672 -7.067 1.00 0.00 C ATOM 862 CG TRP A 60 -10.067 -6.744 -6.282 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.379 -6.796 -6.016 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.504 -7.923 -5.671 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.702 -7.918 -5.280 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.525 -8.625 -5.063 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.176 -8.382 -5.632 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.325 -9.827 -4.374 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -7.992 -9.584 -4.939 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.009 -10.303 -4.322 1.00 0.00 C ATOM 0 H TRP A 60 -10.931 -3.947 -6.241 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.315 -4.863 -5.399 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.928 -5.334 -7.896 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.412 -6.119 -7.500 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.094 -6.053 -6.337 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.633 -8.180 -4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.362 -7.849 -6.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.141 -10.359 -3.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -6.989 -9.981 -4.879 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.785 -11.224 -3.805 1.00 0.00 H new ATOM 880 N VAL A 61 -6.729 -3.703 -6.956 1.00 0.00 N ATOM 881 CA VAL A 61 -5.785 -2.839 -7.644 1.00 0.00 C ATOM 882 C VAL A 61 -4.696 -3.695 -8.293 1.00 0.00 C ATOM 883 O VAL A 61 -4.794 -4.920 -8.313 1.00 0.00 O ATOM 884 CB VAL A 61 -5.229 -1.796 -6.673 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.343 -0.897 -6.134 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.463 -2.465 -5.529 1.00 0.00 C ATOM 0 H VAL A 61 -6.305 -4.484 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.282 -2.288 -8.442 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.529 -1.167 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.919 -0.165 -5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.826 -0.379 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.079 -1.505 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.078 -1.701 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.132 -3.129 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.632 -3.042 -5.936 1.00 0.00 H new ATOM 896 N THR A 62 -3.681 -3.015 -8.806 1.00 0.00 N ATOM 897 CA THR A 62 -2.574 -3.697 -9.454 1.00 0.00 C ATOM 898 C THR A 62 -1.253 -3.333 -8.775 1.00 0.00 C ATOM 899 O THR A 62 -1.219 -2.478 -7.891 1.00 0.00 O ATOM 900 CB THR A 62 -2.609 -3.348 -10.943 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.632 -1.923 -10.965 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.927 -3.752 -11.609 1.00 0.00 C ATOM 0 H THR A 62 -3.602 -1.998 -8.786 1.00 0.00 H new ATOM 0 HA THR A 62 -2.665 -4.779 -9.358 1.00 0.00 H new ATOM 0 HB THR A 62 -1.780 -3.841 -11.451 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.243 -1.616 -11.667 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.899 -3.482 -12.665 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.068 -4.829 -11.514 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.754 -3.234 -11.124 1.00 0.00 H new ATOM 910 N HIS A 63 -0.195 -3.999 -9.215 1.00 0.00 N ATOM 911 CA HIS A 63 1.126 -3.755 -8.661 1.00 0.00 C ATOM 912 C HIS A 63 1.612 -2.367 -9.082 1.00 0.00 C ATOM 913 O HIS A 63 2.200 -1.643 -8.281 1.00 0.00 O ATOM 914 CB HIS A 63 2.096 -4.870 -9.060 1.00 0.00 C ATOM 915 CG HIS A 63 3.552 -4.498 -8.911 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.542 -4.999 -9.739 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.175 -3.670 -8.025 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.704 -4.489 -9.357 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.475 -3.667 -8.294 1.00 0.00 N ATOM 0 H HIS A 63 -0.226 -4.707 -9.949 1.00 0.00 H new ATOM 0 HA HIS A 63 1.076 -3.768 -7.572 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.892 -5.751 -8.451 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.907 -5.149 -10.097 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.692 -3.111 -7.237 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.664 -4.690 -9.809 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.185 -3.137 -7.789 1.00 0.00 H new ATOM 926 N GLU A 64 1.346 -2.038 -10.337 1.00 0.00 N ATOM 927 CA GLU A 64 1.749 -0.749 -10.874 1.00 0.00 C ATOM 928 C GLU A 64 1.362 0.372 -9.907 1.00 0.00 C ATOM 929 O GLU A 64 2.054 1.386 -9.820 1.00 0.00 O ATOM 930 CB GLU A 64 1.137 -0.517 -12.257 1.00 0.00 C ATOM 931 CG GLU A 64 -0.391 -0.573 -12.197 1.00 0.00 C ATOM 932 CD GLU A 64 -0.945 -1.537 -13.248 1.00 0.00 C ATOM 933 OE1 GLU A 64 -0.657 -2.746 -13.117 1.00 0.00 O ATOM 934 OE2 GLU A 64 -1.645 -1.043 -14.158 1.00 0.00 O ATOM 0 H GLU A 64 0.856 -2.641 -10.998 1.00 0.00 H new ATOM 0 HA GLU A 64 2.833 -0.746 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.454 0.453 -12.641 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.505 -1.271 -12.953 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.708 -0.891 -11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.802 0.423 -12.360 1.00 0.00 H new ATOM 939 N ARG A 65 0.260 0.152 -9.207 1.00 0.00 N ATOM 940 CA ARG A 65 -0.226 1.132 -8.250 1.00 0.00 C ATOM 941 C ARG A 65 0.437 0.918 -6.888 1.00 0.00 C ATOM 942 O ARG A 65 0.563 1.855 -6.101 1.00 0.00 O ATOM 943 CB ARG A 65 -1.745 1.039 -8.090 1.00 0.00 C ATOM 944 CG ARG A 65 -2.451 1.242 -9.432 1.00 0.00 C ATOM 945 CD ARG A 65 -3.845 0.612 -9.420 1.00 0.00 C ATOM 946 NE ARG A 65 -4.817 1.518 -10.070 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.978 1.117 -10.606 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.319 -0.179 -10.570 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.798 2.010 -11.176 1.00 0.00 N ATOM 0 H ARG A 65 -0.311 -0.690 -9.283 1.00 0.00 H new ATOM 0 HA ARG A 65 0.028 2.121 -8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.012 0.066 -7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.086 1.791 -7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.532 2.308 -9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.855 0.800 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.824 -0.346 -9.940 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.153 0.411 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.589 2.511 -10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.695 -0.859 -10.135 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.202 -0.485 -10.978 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.539 2.996 -11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.681 1.704 -11.584 1.00 0.00 H new ATOM 960 N LEU A 66 0.844 -0.321 -6.651 1.00 0.00 N ATOM 961 CA LEU A 66 1.491 -0.669 -5.398 1.00 0.00 C ATOM 962 C LEU A 66 2.895 -0.060 -5.367 1.00 0.00 C ATOM 963 O LEU A 66 3.786 -0.508 -6.086 1.00 0.00 O ATOM 964 CB LEU A 66 1.474 -2.185 -5.189 1.00 0.00 C ATOM 965 CG LEU A 66 0.095 -2.821 -5.006 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.171 -4.343 -5.137 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.534 -2.391 -3.679 1.00 0.00 C ATOM 0 H LEU A 66 0.738 -1.096 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 66 0.942 -0.248 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.958 -2.655 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.079 -2.418 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.556 -2.462 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.823 -4.770 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.548 -4.605 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.843 -4.741 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.514 -2.857 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.107 -2.703 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.644 -1.307 -3.663 1.00 0.00 H new ATOM 978 N ASP A 67 3.047 0.952 -4.525 1.00 0.00 N ATOM 979 CA ASP A 67 4.326 1.628 -4.391 1.00 0.00 C ATOM 980 C ASP A 67 5.104 1.011 -3.228 1.00 0.00 C ATOM 981 O ASP A 67 5.225 1.619 -2.165 1.00 0.00 O ATOM 982 CB ASP A 67 4.135 3.117 -4.096 1.00 0.00 C ATOM 983 CG ASP A 67 5.245 4.029 -4.623 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.388 3.532 -4.722 1.00 0.00 O ATOM 985 OD2 ASP A 67 4.925 5.200 -4.917 1.00 0.00 O ATOM 0 H ASP A 67 2.306 1.320 -3.929 1.00 0.00 H new ATOM 0 HA ASP A 67 4.867 1.514 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.187 3.438 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.057 3.251 -3.017 1.00 0.00 H new ATOM 989 N LEU A 68 5.611 -0.190 -3.467 1.00 0.00 N ATOM 990 CA LEU A 68 6.374 -0.896 -2.451 1.00 0.00 C ATOM 991 C LEU A 68 7.477 0.021 -1.919 1.00 0.00 C ATOM 992 O LEU A 68 7.986 -0.189 -0.819 1.00 0.00 O ATOM 993 CB LEU A 68 6.892 -2.228 -3.000 1.00 0.00 C ATOM 994 CG LEU A 68 5.919 -3.013 -3.883 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.338 -4.481 -3.988 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.482 -2.860 -3.384 1.00 0.00 C ATOM 0 H LEU A 68 5.508 -0.692 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 68 5.737 -1.152 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.798 -2.034 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.178 -2.859 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 68 5.956 -2.595 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.630 -5.017 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.335 -4.545 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.347 -4.929 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.811 -3.427 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.409 -3.236 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.200 -1.807 -3.404 1.00 0.00 H new ATOM 1007 N LYS A 69 7.816 1.017 -2.725 1.00 0.00 N ATOM 1008 CA LYS A 69 8.849 1.966 -2.349 1.00 0.00 C ATOM 1009 C LYS A 69 8.361 2.803 -1.165 1.00 0.00 C ATOM 1010 O LYS A 69 9.133 3.553 -0.571 1.00 0.00 O ATOM 1011 CB LYS A 69 9.275 2.801 -3.558 1.00 0.00 C ATOM 1012 CG LYS A 69 9.646 1.904 -4.741 1.00 0.00 C ATOM 1013 CD LYS A 69 10.993 2.317 -5.340 1.00 0.00 C ATOM 1014 CE LYS A 69 10.997 2.129 -6.859 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.638 0.845 -7.220 1.00 0.00 N ATOM 0 H LYS A 69 7.393 1.187 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 69 9.746 1.442 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.465 3.471 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.126 3.427 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.692 0.865 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.871 1.964 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.198 3.360 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.791 1.723 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.975 2.151 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.530 2.954 -7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.633 0.733 -8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.619 0.838 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.113 0.060 -6.784 1.00 0.00 H new ATOM 1025 N LYS A 70 7.083 2.644 -0.856 1.00 0.00 N ATOM 1026 CA LYS A 70 6.483 3.375 0.246 1.00 0.00 C ATOM 1027 C LYS A 70 5.635 2.417 1.087 1.00 0.00 C ATOM 1028 O LYS A 70 4.706 2.843 1.772 1.00 0.00 O ATOM 1029 CB LYS A 70 5.708 4.587 -0.273 1.00 0.00 C ATOM 1030 CG LYS A 70 6.640 5.566 -0.990 1.00 0.00 C ATOM 1031 CD LYS A 70 6.287 7.014 -0.640 1.00 0.00 C ATOM 1032 CE LYS A 70 7.207 7.994 -1.373 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.587 8.437 -2.642 1.00 0.00 N ATOM 0 H LYS A 70 6.446 2.019 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 70 7.256 3.777 0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.925 4.258 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.215 5.091 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.673 5.362 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.567 5.420 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.249 7.214 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.374 7.164 0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.408 8.857 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.166 7.518 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.224 9.101 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.418 7.612 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.683 8.910 -2.440 1.00 0.00 H new ATOM 1043 N ILE A 71 5.985 1.141 1.005 1.00 0.00 N ATOM 1044 CA ILE A 71 5.268 0.120 1.749 1.00 0.00 C ATOM 1045 C ILE A 71 5.547 0.293 3.244 1.00 0.00 C ATOM 1046 O ILE A 71 6.493 0.981 3.627 1.00 0.00 O ATOM 1047 CB ILE A 71 5.611 -1.272 1.216 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.343 -2.054 0.869 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.501 -2.032 2.201 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.654 -3.538 0.663 1.00 0.00 C ATOM 0 H ILE A 71 6.755 0.792 0.435 1.00 0.00 H new ATOM 0 HA ILE A 71 4.193 0.233 1.610 1.00 0.00 H new ATOM 0 HB ILE A 71 6.179 -1.154 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.611 -1.940 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.894 -1.644 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.730 -3.018 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.428 -1.479 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.980 -2.141 3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.736 -4.072 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.368 -3.650 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.080 -3.951 1.577 1.00 0.00 H new ATOM 1061 N GLN A 72 4.708 -0.343 4.048 1.00 0.00 N ATOM 1062 CA GLN A 72 4.853 -0.269 5.492 1.00 0.00 C ATOM 1063 C GLN A 72 4.325 -1.547 6.145 1.00 0.00 C ATOM 1064 O GLN A 72 3.356 -1.508 6.902 1.00 0.00 O ATOM 1065 CB GLN A 72 4.144 0.965 6.051 1.00 0.00 C ATOM 1066 CG GLN A 72 4.850 2.250 5.610 1.00 0.00 C ATOM 1067 CD GLN A 72 4.441 3.431 6.494 1.00 0.00 C ATOM 1068 OE1 GLN A 72 5.083 3.755 7.479 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.338 4.054 6.087 1.00 0.00 N ATOM 0 H GLN A 72 3.925 -0.912 3.727 1.00 0.00 H new ATOM 0 HA GLN A 72 5.913 -0.176 5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.109 0.979 5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.121 0.914 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.930 2.111 5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.603 2.466 4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.848 3.731 5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.982 4.855 6.609 1.00 0.00 H new ATOM 1076 N PHE A 73 4.985 -2.652 5.829 1.00 0.00 N ATOM 1077 CA PHE A 73 4.594 -3.940 6.375 1.00 0.00 C ATOM 1078 C PHE A 73 4.135 -3.803 7.829 1.00 0.00 C ATOM 1079 O PHE A 73 4.552 -2.882 8.530 1.00 0.00 O ATOM 1080 CB PHE A 73 5.830 -4.841 6.327 1.00 0.00 C ATOM 1081 CG PHE A 73 6.049 -5.524 4.974 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.609 -4.832 3.946 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.683 -6.822 4.801 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.812 -5.465 2.692 1.00 0.00 C ATOM 1085 CE2 PHE A 73 5.886 -7.455 3.546 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.446 -6.763 2.518 1.00 0.00 C ATOM 0 H PHE A 73 5.788 -2.681 5.201 1.00 0.00 H new ATOM 0 HA PHE A 73 3.767 -4.352 5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.711 -4.246 6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.740 -5.606 7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.899 -3.801 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.238 -7.371 5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.257 -4.916 1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.596 -8.486 3.408 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.600 -7.244 1.564 1.00 0.00 H new ATOM 1095 N PRO A 74 3.262 -4.757 8.249 1.00 0.00 N ATOM 1096 CA PRO A 74 2.743 -4.751 9.606 1.00 0.00 C ATOM 1097 C PRO A 74 3.801 -5.233 10.600 1.00 0.00 C ATOM 1098 O PRO A 74 4.717 -5.966 10.230 1.00 0.00 O ATOM 1099 CB PRO A 74 1.517 -5.647 9.562 1.00 0.00 C ATOM 1100 CG PRO A 74 1.659 -6.488 8.303 1.00 0.00 C ATOM 1101 CD PRO A 74 2.748 -5.861 7.446 1.00 0.00 C ATOM 0 HA PRO A 74 2.477 -3.752 9.950 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.463 -6.278 10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.602 -5.055 9.535 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.917 -7.516 8.557 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.716 -6.522 7.758 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.533 -6.581 7.214 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.349 -5.507 6.495 1.00 0.00 H new ATOM 1106 N LYS A 75 3.639 -4.803 11.842 1.00 0.00 N ATOM 1107 CA LYS A 75 4.569 -5.182 12.893 1.00 0.00 C ATOM 1108 C LYS A 75 3.920 -6.241 13.785 1.00 0.00 C ATOM 1109 O LYS A 75 3.551 -5.957 14.924 1.00 0.00 O ATOM 1110 CB LYS A 75 5.049 -3.946 13.656 1.00 0.00 C ATOM 1111 CG LYS A 75 6.119 -4.316 14.684 1.00 0.00 C ATOM 1112 CD LYS A 75 7.201 -3.238 14.763 1.00 0.00 C ATOM 1113 CE LYS A 75 7.728 -3.095 16.193 1.00 0.00 C ATOM 1114 NZ LYS A 75 8.830 -2.108 16.242 1.00 0.00 N ATOM 0 H LYS A 75 2.878 -4.196 12.145 1.00 0.00 H new ATOM 0 HA LYS A 75 5.465 -5.631 12.464 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.451 -3.215 12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.205 -3.474 14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.658 -4.446 15.663 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.571 -5.271 14.416 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.022 -3.492 14.093 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.795 -2.285 14.424 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.921 -2.781 16.855 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.080 -4.061 16.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.176 -2.023 17.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.606 -2.423 15.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.483 -1.184 15.916 1.00 0.00 H new ATOM 1124 N LYS A 76 3.799 -7.440 13.235 1.00 0.00 N ATOM 1125 CA LYS A 76 3.200 -8.543 13.967 1.00 0.00 C ATOM 1126 C LYS A 76 4.244 -9.152 14.906 1.00 0.00 C ATOM 1127 O LYS A 76 5.356 -9.462 14.486 1.00 0.00 O ATOM 1128 CB LYS A 76 2.580 -9.554 13.000 1.00 0.00 C ATOM 1129 CG LYS A 76 1.599 -10.477 13.726 1.00 0.00 C ATOM 1130 CD LYS A 76 0.246 -10.509 13.013 1.00 0.00 C ATOM 1131 CE LYS A 76 -0.833 -9.819 13.849 1.00 0.00 C ATOM 1132 NZ LYS A 76 -1.645 -10.819 14.577 1.00 0.00 N ATOM 0 H LYS A 76 4.106 -7.672 12.290 1.00 0.00 H new ATOM 0 HA LYS A 76 2.379 -8.186 14.589 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.063 -9.026 12.199 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.367 -10.148 12.535 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.012 -11.485 13.776 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.465 -10.136 14.753 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.330 -10.017 12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.043 -11.542 12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.369 -9.133 14.558 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.476 -9.222 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.372 -10.333 15.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.103 -11.457 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.031 -11.371 15.209 1.00 0.00 H new ATOM 1142 N GLU A 77 3.846 -9.303 16.161 1.00 0.00 N ATOM 1143 CA GLU A 77 4.732 -9.869 17.164 1.00 0.00 C ATOM 1144 C GLU A 77 5.972 -8.989 17.334 1.00 0.00 C ATOM 1145 O GLU A 77 6.453 -8.395 16.370 1.00 0.00 O ATOM 1146 CB GLU A 77 5.123 -11.304 16.803 1.00 0.00 C ATOM 1147 CG GLU A 77 5.012 -12.225 18.020 1.00 0.00 C ATOM 1148 CD GLU A 77 6.321 -12.979 18.259 1.00 0.00 C ATOM 1149 OE1 GLU A 77 6.637 -13.849 17.420 1.00 0.00 O ATOM 1150 OE2 GLU A 77 6.977 -12.667 19.277 1.00 0.00 O ATOM 0 H GLU A 77 2.922 -9.043 16.506 1.00 0.00 H new ATOM 0 HA GLU A 77 4.200 -9.901 18.115 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.478 -11.671 16.005 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.144 -11.322 16.421 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.760 -11.638 18.903 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.201 -12.937 17.869 1.00 0.00 H new ATOM 1155 N ALA A 78 6.454 -8.933 18.567 1.00 0.00 N ATOM 1156 CA ALA A 78 7.629 -8.135 18.875 1.00 0.00 C ATOM 1157 C ALA A 78 8.802 -8.609 18.015 1.00 0.00 C ATOM 1158 O ALA A 78 8.963 -9.806 17.783 1.00 0.00 O ATOM 1159 CB ALA A 78 7.929 -8.227 20.372 1.00 0.00 C ATOM 0 H ALA A 78 6.053 -9.427 19.364 1.00 0.00 H new ATOM 0 HA ALA A 78 7.453 -7.085 18.641 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.810 -7.629 20.604 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.076 -7.852 20.938 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.115 -9.266 20.643 1.00 0.00 H new ATOM 1165 N LYS A 79 9.590 -7.644 17.563 1.00 0.00 N ATOM 1166 CA LYS A 79 10.745 -7.948 16.734 1.00 0.00 C ATOM 1167 C LYS A 79 11.989 -8.049 17.617 1.00 0.00 C ATOM 1168 O LYS A 79 12.556 -7.033 18.016 1.00 0.00 O ATOM 1169 CB LYS A 79 10.873 -6.927 15.602 1.00 0.00 C ATOM 1170 CG LYS A 79 10.439 -7.531 14.266 1.00 0.00 C ATOM 1171 CD LYS A 79 11.646 -7.791 13.363 1.00 0.00 C ATOM 1172 CE LYS A 79 11.536 -9.155 12.678 1.00 0.00 C ATOM 1173 NZ LYS A 79 12.629 -9.333 11.697 1.00 0.00 N ATOM 0 H LYS A 79 9.452 -6.652 17.755 1.00 0.00 H new ATOM 0 HA LYS A 79 10.622 -8.915 16.247 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.262 -6.053 15.825 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.905 -6.584 15.532 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.904 -8.464 14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.745 -6.855 13.766 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.716 -7.007 12.610 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.562 -7.749 13.953 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.577 -9.948 13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.572 -9.240 12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.539 -10.264 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.572 -8.587 10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.546 -9.273 12.184 1.00 0.00 H new ATOM 1183 N THR A 80 12.380 -9.284 17.895 1.00 0.00 N ATOM 1184 CA THR A 80 13.548 -9.531 18.723 1.00 0.00 C ATOM 1185 C THR A 80 14.034 -10.971 18.545 1.00 0.00 C ATOM 1186 O THR A 80 13.232 -11.878 18.327 1.00 0.00 O ATOM 1187 CB THR A 80 13.183 -9.188 20.169 1.00 0.00 C ATOM 1188 OG1 THR A 80 14.197 -9.825 20.943 1.00 0.00 O ATOM 1189 CG2 THR A 80 11.889 -9.865 20.623 1.00 0.00 C ATOM 0 H THR A 80 11.908 -10.125 17.561 1.00 0.00 H new ATOM 0 HA THR A 80 14.385 -8.900 18.424 1.00 0.00 H new ATOM 0 HB THR A 80 13.083 -8.107 20.271 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.039 -9.653 21.895 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.676 -9.588 21.656 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.066 -9.543 19.984 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.001 -10.947 20.553 1.00 0.00 H new ATOM 1197 N PRO A 81 15.380 -11.140 18.644 1.00 0.00 N ATOM 1198 CA PRO A 81 15.982 -12.453 18.497 1.00 0.00 C ATOM 1199 C PRO A 81 15.747 -13.309 19.743 1.00 0.00 C ATOM 1200 O PRO A 81 14.909 -12.976 20.580 1.00 0.00 O ATOM 1201 CB PRO A 81 17.454 -12.184 18.230 1.00 0.00 C ATOM 1202 CG PRO A 81 17.708 -10.760 18.698 1.00 0.00 C ATOM 1203 CD PRO A 81 16.359 -10.089 18.901 1.00 0.00 C ATOM 0 HA PRO A 81 15.541 -13.028 17.682 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.084 -12.891 18.769 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.686 -12.294 17.171 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.278 -10.759 19.627 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.298 -10.215 17.961 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.261 -9.695 19.913 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.227 -9.250 18.218 1.00 0.00 H new ATOM 1208 N SER A 82 16.503 -14.395 19.828 1.00 0.00 N ATOM 1209 CA SER A 82 16.387 -15.299 20.959 1.00 0.00 C ATOM 1210 C SER A 82 17.321 -16.495 20.769 1.00 0.00 C ATOM 1211 O SER A 82 17.056 -17.371 19.946 1.00 0.00 O ATOM 1212 CB SER A 82 14.944 -15.777 21.136 1.00 0.00 C ATOM 1213 OG SER A 82 14.582 -15.883 22.511 1.00 0.00 O ATOM 0 H SER A 82 17.197 -14.668 19.132 1.00 0.00 H new ATOM 0 HA SER A 82 16.676 -14.759 21.860 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.268 -15.083 20.636 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.821 -16.746 20.653 1.00 0.00 H new ATOM 0 HG SER A 82 13.654 -16.189 22.582 1.00 0.00 H new ATOM 1218 N GLY A 83 18.396 -16.495 21.544 1.00 0.00 N ATOM 1219 CA GLY A 83 19.372 -17.569 21.472 1.00 0.00 C ATOM 1220 C GLY A 83 18.686 -18.919 21.256 1.00 0.00 C ATOM 1221 O GLY A 83 18.127 -19.492 22.190 1.00 0.00 O ATOM 0 H GLY A 83 18.612 -15.768 22.225 1.00 0.00 H new ATOM 0 HA2 GLY A 83 20.070 -17.377 20.657 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.956 -17.597 22.392 1.00 0.00 H new ATOM 1225 N PRO A 84 18.753 -19.402 19.987 1.00 0.00 N ATOM 1226 CA PRO A 84 18.145 -20.674 19.636 1.00 0.00 C ATOM 1227 C PRO A 84 18.980 -21.844 20.162 1.00 0.00 C ATOM 1228 O PRO A 84 20.148 -21.985 19.808 1.00 0.00 O ATOM 1229 CB PRO A 84 18.038 -20.655 18.120 1.00 0.00 C ATOM 1230 CG PRO A 84 19.006 -19.583 17.648 1.00 0.00 C ATOM 1231 CD PRO A 84 19.406 -18.752 18.855 1.00 0.00 C ATOM 0 HA PRO A 84 17.163 -20.810 20.089 1.00 0.00 H new ATOM 0 HB2 PRO A 84 18.295 -21.627 17.698 1.00 0.00 H new ATOM 0 HB3 PRO A 84 17.020 -20.429 17.803 1.00 0.00 H new ATOM 0 HG2 PRO A 84 19.884 -20.037 17.189 1.00 0.00 H new ATOM 0 HG3 PRO A 84 18.539 -18.954 16.890 1.00 0.00 H new ATOM 0 HD2 PRO A 84 20.489 -18.732 18.981 1.00 0.00 H new ATOM 0 HD3 PRO A 84 19.078 -17.718 18.750 1.00 0.00 H new ATOM 1236 N SER A 85 18.345 -22.652 20.999 1.00 0.00 N ATOM 1237 CA SER A 85 19.015 -23.806 21.576 1.00 0.00 C ATOM 1238 C SER A 85 18.455 -25.093 20.970 1.00 0.00 C ATOM 1239 O SER A 85 17.244 -25.230 20.805 1.00 0.00 O ATOM 1240 CB SER A 85 18.864 -23.825 23.098 1.00 0.00 C ATOM 1241 OG SER A 85 20.088 -23.523 23.761 1.00 0.00 O ATOM 0 H SER A 85 17.375 -22.531 21.291 1.00 0.00 H new ATOM 0 HA SER A 85 20.078 -23.737 21.344 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.103 -23.103 23.396 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.513 -24.807 23.415 1.00 0.00 H new ATOM 0 HG SER A 85 19.948 -23.544 24.731 1.00 0.00 H new ATOM 1246 N SER A 86 19.364 -26.006 20.656 1.00 0.00 N ATOM 1247 CA SER A 86 18.976 -27.279 20.072 1.00 0.00 C ATOM 1248 C SER A 86 18.287 -27.048 18.725 1.00 0.00 C ATOM 1249 O SER A 86 17.202 -26.471 18.668 1.00 0.00 O ATOM 1250 CB SER A 86 18.054 -28.058 21.013 1.00 0.00 C ATOM 1251 OG SER A 86 16.687 -27.688 20.848 1.00 0.00 O ATOM 0 H SER A 86 20.368 -25.889 20.795 1.00 0.00 H new ATOM 0 HA SER A 86 19.877 -27.873 19.915 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.165 -29.126 20.828 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.356 -27.881 22.045 1.00 0.00 H new ATOM 0 HG SER A 86 16.636 -26.811 20.413 1.00 0.00 H new ATOM 1256 N GLY A 87 18.947 -27.512 17.673 1.00 0.00 N ATOM 1257 CA GLY A 87 18.412 -27.363 16.330 1.00 0.00 C ATOM 1258 C GLY A 87 19.039 -28.380 15.375 1.00 0.00 C ATOM 1259 O GLY A 87 18.332 -29.173 14.755 1.00 0.00 O ATOM 0 H GLY A 87 19.846 -27.991 17.724 1.00 0.00 H new ATOM 0 HA2 GLY A 87 17.330 -27.495 16.349 1.00 0.00 H new ATOM 0 HA3 GLY A 87 18.604 -26.353 15.968 1.00 0.00 H new TER 1263 GLY A 87