USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0608 (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 8 MET CE :methyl 157:sc= -1.74 (180deg=-2.66!) USER MOD Single : A 10 ASN : amide:sc= -0.871 X(o=-0.87,f=-0.64) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.491 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= -1.09 (180deg=-3.44!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0339) USER MOD Single : A 38 HIS : no HD1:sc= -4.11! C(o=-4.1!,f=-8.6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.818 K(o=0.82,f=-0.037) USER MOD Single : A 45 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00194) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.789 USER MOD Single : A 64 SER OG : rot 147:sc= 0.961 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0188 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -51:sc= 0.315 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.816 11.287 -6.933 1.00 0.00 N ATOM 2 CA GLY A 1 2.139 10.551 -8.141 1.00 0.00 C ATOM 3 C GLY A 1 2.145 9.051 -7.924 1.00 0.00 C ATOM 4 O GLY A 1 2.179 8.582 -6.786 1.00 0.00 O ATOM 0 H1 GLY A 1 0.867 11.703 -7.023 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.836 10.642 -6.118 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.514 12.045 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.416 10.799 -8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.117 10.866 -8.504 1.00 0.00 H new ATOM 8 N SER A 2 2.109 8.296 -9.017 1.00 0.00 N ATOM 9 CA SER A 2 2.104 6.840 -8.940 1.00 0.00 C ATOM 10 C SER A 2 3.021 6.352 -7.823 1.00 0.00 C ATOM 11 O SER A 2 2.638 5.505 -7.015 1.00 0.00 O ATOM 12 CB SER A 2 2.543 6.236 -10.276 1.00 0.00 C ATOM 13 OG SER A 2 1.550 6.422 -11.270 1.00 0.00 O ATOM 0 H SER A 2 2.083 8.668 -9.966 1.00 0.00 H new ATOM 0 HA SER A 2 1.087 6.516 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.476 6.698 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.741 5.172 -10.150 1.00 0.00 H new ATOM 0 HG SER A 2 1.855 6.029 -12.114 1.00 0.00 H new ATOM 19 N SER A 3 4.235 6.893 -7.783 1.00 0.00 N ATOM 20 CA SER A 3 5.209 6.510 -6.768 1.00 0.00 C ATOM 21 C SER A 3 5.923 7.738 -6.210 1.00 0.00 C ATOM 22 O SER A 3 5.857 8.823 -6.787 1.00 0.00 O ATOM 23 CB SER A 3 6.231 5.534 -7.353 1.00 0.00 C ATOM 24 OG SER A 3 5.637 4.278 -7.629 1.00 0.00 O ATOM 0 H SER A 3 4.567 7.598 -8.442 1.00 0.00 H new ATOM 0 HA SER A 3 4.675 6.020 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.652 5.949 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.056 5.404 -6.653 1.00 0.00 H new ATOM 0 HG SER A 3 6.311 3.673 -8.004 1.00 0.00 H new ATOM 30 N GLY A 4 6.605 7.558 -5.083 1.00 0.00 N ATOM 31 CA GLY A 4 7.321 8.658 -4.465 1.00 0.00 C ATOM 32 C GLY A 4 7.168 8.676 -2.957 1.00 0.00 C ATOM 33 O GLY A 4 6.354 7.939 -2.400 1.00 0.00 O ATOM 0 H GLY A 4 6.674 6.669 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.379 8.587 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.957 9.600 -4.875 1.00 0.00 H new ATOM 37 N SER A 5 7.954 9.518 -2.294 1.00 0.00 N ATOM 38 CA SER A 5 7.906 9.624 -0.840 1.00 0.00 C ATOM 39 C SER A 5 6.911 10.695 -0.406 1.00 0.00 C ATOM 40 O SER A 5 6.132 10.494 0.525 1.00 0.00 O ATOM 41 CB SER A 5 9.295 9.947 -0.286 1.00 0.00 C ATOM 42 OG SER A 5 9.803 11.145 -0.848 1.00 0.00 O ATOM 0 H SER A 5 8.631 10.137 -2.740 1.00 0.00 H new ATOM 0 HA SER A 5 7.577 8.665 -0.441 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.244 10.044 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.976 9.124 -0.501 1.00 0.00 H new ATOM 0 HG SER A 5 10.691 11.330 -0.476 1.00 0.00 H new ATOM 48 N SER A 6 6.944 11.836 -1.089 1.00 0.00 N ATOM 49 CA SER A 6 6.048 12.942 -0.772 1.00 0.00 C ATOM 50 C SER A 6 4.655 12.693 -1.343 1.00 0.00 C ATOM 51 O SER A 6 3.665 12.682 -0.612 1.00 0.00 O ATOM 52 CB SER A 6 6.609 14.254 -1.322 1.00 0.00 C ATOM 53 OG SER A 6 7.928 14.480 -0.856 1.00 0.00 O ATOM 0 H SER A 6 7.581 12.018 -1.865 1.00 0.00 H new ATOM 0 HA SER A 6 5.970 13.015 0.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.605 14.227 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.967 15.082 -1.021 1.00 0.00 H new ATOM 0 HG SER A 6 8.265 15.324 -1.223 1.00 0.00 H new ATOM 59 N GLY A 7 4.586 12.493 -2.655 1.00 0.00 N ATOM 60 CA GLY A 7 3.311 12.247 -3.303 1.00 0.00 C ATOM 61 C GLY A 7 2.622 11.004 -2.774 1.00 0.00 C ATOM 62 O GLY A 7 3.247 10.173 -2.115 1.00 0.00 O ATOM 0 H GLY A 7 5.391 12.497 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.660 13.109 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.467 12.143 -4.377 1.00 0.00 H new ATOM 66 N MET A 8 1.331 10.878 -3.061 1.00 0.00 N ATOM 67 CA MET A 8 0.557 9.728 -2.608 1.00 0.00 C ATOM 68 C MET A 8 1.044 8.447 -3.278 1.00 0.00 C ATOM 69 O MET A 8 1.863 8.488 -4.195 1.00 0.00 O ATOM 70 CB MET A 8 -0.930 9.939 -2.903 1.00 0.00 C ATOM 71 CG MET A 8 -1.669 10.681 -1.802 1.00 0.00 C ATOM 72 SD MET A 8 -2.377 9.571 -0.570 1.00 0.00 S ATOM 73 CE MET A 8 -0.897 8.994 0.257 1.00 0.00 C ATOM 0 H MET A 8 0.799 11.557 -3.605 1.00 0.00 H new ATOM 0 HA MET A 8 0.696 9.629 -1.531 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.032 10.494 -3.835 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.403 8.969 -3.057 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.983 11.372 -1.311 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.464 11.281 -2.244 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.151 8.648 1.259 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.460 8.173 -0.311 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.178 9.810 0.327 1.00 0.00 H new ATOM 83 N ALA A 9 0.534 7.311 -2.813 1.00 0.00 N ATOM 84 CA ALA A 9 0.917 6.019 -3.368 1.00 0.00 C ATOM 85 C ALA A 9 -0.244 5.031 -3.309 1.00 0.00 C ATOM 86 O ALA A 9 -0.657 4.609 -2.230 1.00 0.00 O ATOM 87 CB ALA A 9 2.124 5.463 -2.628 1.00 0.00 C ATOM 0 H ALA A 9 -0.145 7.260 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 9 1.183 6.165 -4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.399 4.498 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.961 6.154 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.878 5.338 -1.573 1.00 0.00 H new ATOM 93 N ASN A 10 -0.765 4.668 -4.476 1.00 0.00 N ATOM 94 CA ASN A 10 -1.879 3.730 -4.556 1.00 0.00 C ATOM 95 C ASN A 10 -1.507 2.388 -3.933 1.00 0.00 C ATOM 96 O ASN A 10 -0.693 1.643 -4.478 1.00 0.00 O ATOM 97 CB ASN A 10 -2.300 3.529 -6.014 1.00 0.00 C ATOM 98 CG ASN A 10 -2.519 4.843 -6.739 1.00 0.00 C ATOM 99 OD1 ASN A 10 -2.867 5.852 -6.126 1.00 0.00 O ATOM 100 ND2 ASN A 10 -2.317 4.835 -8.051 1.00 0.00 N ATOM 0 H ASN A 10 -0.434 5.009 -5.379 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.715 4.150 -3.997 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.534 2.953 -6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.218 2.942 -6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.450 5.689 -8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.029 3.975 -8.517 1.00 0.00 H new ATOM 107 N TYR A 11 -2.110 2.087 -2.788 1.00 0.00 N ATOM 108 CA TYR A 11 -1.841 0.836 -2.089 1.00 0.00 C ATOM 109 C TYR A 11 -1.705 -0.321 -3.074 1.00 0.00 C ATOM 110 O TYR A 11 -0.679 -1.000 -3.115 1.00 0.00 O ATOM 111 CB TYR A 11 -2.957 0.538 -1.086 1.00 0.00 C ATOM 112 CG TYR A 11 -3.039 1.539 0.044 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.902 1.920 0.746 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.254 2.106 0.408 1.00 0.00 C ATOM 115 CE1 TYR A 11 -1.973 2.834 1.779 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.334 3.023 1.439 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.191 3.383 2.122 1.00 0.00 C ATOM 118 OH TYR A 11 -3.265 4.295 3.150 1.00 0.00 O ATOM 0 H TYR A 11 -2.788 2.692 -2.325 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.898 0.945 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.911 0.518 -1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.802 -0.457 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.946 1.494 0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.151 1.825 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.079 3.117 2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.286 3.455 1.708 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.194 4.586 3.263 1.00 0.00 H new ATOM 128 N TYR A 12 -2.748 -0.538 -3.868 1.00 0.00 N ATOM 129 CA TYR A 12 -2.748 -1.613 -4.853 1.00 0.00 C ATOM 130 C TYR A 12 -1.465 -1.594 -5.680 1.00 0.00 C ATOM 131 O TYR A 12 -0.866 -2.638 -5.938 1.00 0.00 O ATOM 132 CB TYR A 12 -3.962 -1.489 -5.775 1.00 0.00 C ATOM 133 CG TYR A 12 -5.278 -1.769 -5.083 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.699 -3.073 -4.851 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.099 -0.730 -4.663 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.900 -3.333 -4.220 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.301 -0.982 -4.030 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.697 -2.285 -3.811 1.00 0.00 C ATOM 139 OH TYR A 12 -8.895 -2.539 -3.182 1.00 0.00 O ATOM 0 H TYR A 12 -3.604 0.016 -3.849 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.801 -2.561 -4.318 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.988 -0.483 -6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.846 -2.180 -6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.077 -3.897 -5.169 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.793 0.291 -4.834 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.213 -4.352 -4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.927 -0.163 -3.708 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.333 -1.691 -2.958 1.00 0.00 H new ATOM 149 N GLU A 13 -1.050 -0.400 -6.090 1.00 0.00 N ATOM 150 CA GLU A 13 0.161 -0.245 -6.887 1.00 0.00 C ATOM 151 C GLU A 13 1.401 -0.578 -6.063 1.00 0.00 C ATOM 152 O GLU A 13 2.221 -1.405 -6.461 1.00 0.00 O ATOM 153 CB GLU A 13 0.263 1.183 -7.428 1.00 0.00 C ATOM 154 CG GLU A 13 -0.782 1.511 -8.481 1.00 0.00 C ATOM 155 CD GLU A 13 -0.514 0.820 -9.804 1.00 0.00 C ATOM 156 OE1 GLU A 13 0.261 1.369 -10.615 1.00 0.00 O ATOM 157 OE2 GLU A 13 -1.080 -0.271 -10.028 1.00 0.00 O ATOM 0 H GLU A 13 -1.534 0.474 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 13 0.105 -0.940 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.164 1.884 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.255 1.331 -7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.766 1.218 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.809 2.589 -8.637 1.00 0.00 H new ATOM 164 N VAL A 14 1.531 0.072 -4.911 1.00 0.00 N ATOM 165 CA VAL A 14 2.670 -0.155 -4.029 1.00 0.00 C ATOM 166 C VAL A 14 2.990 -1.641 -3.917 1.00 0.00 C ATOM 167 O VAL A 14 4.153 -2.043 -3.979 1.00 0.00 O ATOM 168 CB VAL A 14 2.410 0.411 -2.620 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.587 0.118 -1.702 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.137 1.906 -2.689 1.00 0.00 C ATOM 0 H VAL A 14 0.862 0.760 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 14 3.521 0.365 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 14 1.527 -0.078 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.386 0.525 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.732 -0.960 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.488 0.579 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.955 2.289 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.999 2.414 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.260 2.087 -3.311 1.00 0.00 H new ATOM 180 N LEU A 15 1.953 -2.453 -3.752 1.00 0.00 N ATOM 181 CA LEU A 15 2.123 -3.897 -3.632 1.00 0.00 C ATOM 182 C LEU A 15 2.347 -4.535 -4.999 1.00 0.00 C ATOM 183 O LEU A 15 3.202 -5.405 -5.157 1.00 0.00 O ATOM 184 CB LEU A 15 0.898 -4.521 -2.960 1.00 0.00 C ATOM 185 CG LEU A 15 0.908 -4.540 -1.431 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.497 -4.754 -0.890 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.850 -5.619 -0.917 1.00 0.00 C ATOM 0 H LEU A 15 0.985 -2.137 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 15 3.003 -4.084 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.012 -3.980 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.796 -5.546 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 15 1.267 -3.574 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.470 -4.765 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.144 -3.945 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.885 -5.706 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.844 -5.618 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.521 -6.593 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.860 -5.421 -1.275 1.00 0.00 H new ATOM 199 N GLY A 16 1.573 -4.094 -5.986 1.00 0.00 N ATOM 200 CA GLY A 16 1.703 -4.632 -7.328 1.00 0.00 C ATOM 201 C GLY A 16 0.623 -5.643 -7.655 1.00 0.00 C ATOM 202 O GLY A 16 0.877 -6.633 -8.342 1.00 0.00 O ATOM 0 H GLY A 16 0.858 -3.374 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.662 -3.815 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.681 -5.102 -7.434 1.00 0.00 H new ATOM 206 N VAL A 17 -0.586 -5.397 -7.161 1.00 0.00 N ATOM 207 CA VAL A 17 -1.709 -6.294 -7.404 1.00 0.00 C ATOM 208 C VAL A 17 -2.946 -5.520 -7.846 1.00 0.00 C ATOM 209 O VAL A 17 -3.021 -4.303 -7.676 1.00 0.00 O ATOM 210 CB VAL A 17 -2.053 -7.116 -6.148 1.00 0.00 C ATOM 211 CG1 VAL A 17 -0.841 -7.905 -5.677 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.569 -6.207 -5.042 1.00 0.00 C ATOM 0 H VAL A 17 -0.813 -4.583 -6.590 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.405 -6.972 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.841 -7.824 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.104 -8.479 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.520 -8.584 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.030 -7.217 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.807 -6.804 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.804 -5.474 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.466 -5.691 -5.384 1.00 0.00 H new ATOM 222 N GLN A 18 -3.913 -6.233 -8.413 1.00 0.00 N ATOM 223 CA GLN A 18 -5.147 -5.612 -8.879 1.00 0.00 C ATOM 224 C GLN A 18 -6.239 -5.709 -7.819 1.00 0.00 C ATOM 225 O GLN A 18 -6.136 -6.494 -6.877 1.00 0.00 O ATOM 226 CB GLN A 18 -5.618 -6.274 -10.175 1.00 0.00 C ATOM 227 CG GLN A 18 -4.623 -6.149 -11.318 1.00 0.00 C ATOM 228 CD GLN A 18 -4.875 -7.156 -12.423 1.00 0.00 C ATOM 229 OE1 GLN A 18 -5.415 -6.816 -13.477 1.00 0.00 O ATOM 230 NE2 GLN A 18 -4.485 -8.403 -12.189 1.00 0.00 N ATOM 0 H GLN A 18 -3.866 -7.241 -8.561 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.944 -4.558 -9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.810 -7.330 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.565 -5.827 -10.478 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.674 -5.142 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.613 -6.284 -10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.042 -8.641 -11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.629 -9.124 -12.896 1.00 0.00 H new ATOM 239 N ALA A 19 -7.286 -4.905 -7.979 1.00 0.00 N ATOM 240 CA ALA A 19 -8.398 -4.901 -7.037 1.00 0.00 C ATOM 241 C ALA A 19 -9.143 -6.232 -7.062 1.00 0.00 C ATOM 242 O ALA A 19 -9.784 -6.614 -6.083 1.00 0.00 O ATOM 243 CB ALA A 19 -9.349 -3.755 -7.348 1.00 0.00 C ATOM 0 H ALA A 19 -7.387 -4.248 -8.753 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.993 -4.760 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.175 -3.764 -6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.815 -2.808 -7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.740 -3.871 -8.359 1.00 0.00 H new ATOM 249 N SER A 20 -9.055 -6.933 -8.188 1.00 0.00 N ATOM 250 CA SER A 20 -9.725 -8.219 -8.342 1.00 0.00 C ATOM 251 C SER A 20 -8.827 -9.359 -7.870 1.00 0.00 C ATOM 252 O SER A 20 -9.057 -10.522 -8.201 1.00 0.00 O ATOM 253 CB SER A 20 -10.123 -8.439 -9.803 1.00 0.00 C ATOM 254 OG SER A 20 -11.161 -7.554 -10.187 1.00 0.00 O ATOM 0 H SER A 20 -8.526 -6.632 -9.007 1.00 0.00 H new ATOM 0 HA SER A 20 -10.624 -8.209 -7.726 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.256 -8.289 -10.446 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.449 -9.470 -9.943 1.00 0.00 H new ATOM 0 HG SER A 20 -11.396 -7.713 -11.125 1.00 0.00 H new ATOM 260 N ALA A 21 -7.803 -9.016 -7.095 1.00 0.00 N ATOM 261 CA ALA A 21 -6.872 -10.009 -6.576 1.00 0.00 C ATOM 262 C ALA A 21 -7.420 -10.670 -5.315 1.00 0.00 C ATOM 263 O ALA A 21 -8.212 -10.074 -4.585 1.00 0.00 O ATOM 264 CB ALA A 21 -5.521 -9.369 -6.293 1.00 0.00 C ATOM 0 H ALA A 21 -7.598 -8.057 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.745 -10.782 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.835 -10.123 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.117 -8.950 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.642 -8.575 -5.556 1.00 0.00 H new ATOM 270 N SER A 22 -6.994 -11.904 -5.066 1.00 0.00 N ATOM 271 CA SER A 22 -7.446 -12.647 -3.896 1.00 0.00 C ATOM 272 C SER A 22 -6.708 -12.187 -2.642 1.00 0.00 C ATOM 273 O SER A 22 -5.644 -11.572 -2.707 1.00 0.00 O ATOM 274 CB SER A 22 -7.233 -14.148 -4.105 1.00 0.00 C ATOM 275 OG SER A 22 -8.355 -14.739 -4.737 1.00 0.00 O ATOM 0 H SER A 22 -6.336 -12.410 -5.659 1.00 0.00 H new ATOM 0 HA SER A 22 -8.510 -12.453 -3.762 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.342 -14.311 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.057 -14.631 -3.144 1.00 0.00 H new ATOM 0 HG SER A 22 -8.193 -15.698 -4.861 1.00 0.00 H new ATOM 281 N PRO A 23 -7.287 -12.492 -1.471 1.00 0.00 N ATOM 282 CA PRO A 23 -6.703 -12.120 -0.179 1.00 0.00 C ATOM 283 C PRO A 23 -5.434 -12.907 0.131 1.00 0.00 C ATOM 284 O PRO A 23 -4.739 -12.622 1.106 1.00 0.00 O ATOM 285 CB PRO A 23 -7.807 -12.469 0.823 1.00 0.00 C ATOM 286 CG PRO A 23 -8.604 -13.534 0.152 1.00 0.00 C ATOM 287 CD PRO A 23 -8.556 -13.223 -1.318 1.00 0.00 C ATOM 0 HA PRO A 23 -6.401 -11.073 -0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.389 -12.822 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.422 -11.599 1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.187 -14.520 0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.631 -13.541 0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.572 -14.131 -1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.408 -12.618 -1.629 1.00 0.00 H new ATOM 295 N GLU A 24 -5.138 -13.898 -0.704 1.00 0.00 N ATOM 296 CA GLU A 24 -3.952 -14.726 -0.517 1.00 0.00 C ATOM 297 C GLU A 24 -2.787 -14.204 -1.354 1.00 0.00 C ATOM 298 O GLU A 24 -1.635 -14.238 -0.922 1.00 0.00 O ATOM 299 CB GLU A 24 -4.253 -16.179 -0.892 1.00 0.00 C ATOM 300 CG GLU A 24 -3.186 -17.159 -0.433 1.00 0.00 C ATOM 301 CD GLU A 24 -3.691 -18.588 -0.381 1.00 0.00 C ATOM 302 OE1 GLU A 24 -4.814 -18.802 0.121 1.00 0.00 O ATOM 303 OE2 GLU A 24 -2.962 -19.492 -0.842 1.00 0.00 O ATOM 0 H GLU A 24 -5.703 -14.147 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.670 -14.681 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.210 -16.467 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.360 -16.252 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.332 -17.104 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.830 -16.867 0.555 1.00 0.00 H new ATOM 310 N ASP A 25 -3.097 -13.723 -2.553 1.00 0.00 N ATOM 311 CA ASP A 25 -2.077 -13.194 -3.450 1.00 0.00 C ATOM 312 C ASP A 25 -1.325 -12.037 -2.798 1.00 0.00 C ATOM 313 O ASP A 25 -0.095 -12.033 -2.749 1.00 0.00 O ATOM 314 CB ASP A 25 -2.712 -12.729 -4.762 1.00 0.00 C ATOM 315 CG ASP A 25 -2.987 -11.239 -4.776 1.00 0.00 C ATOM 316 OD1 ASP A 25 -4.075 -10.832 -4.317 1.00 0.00 O ATOM 317 OD2 ASP A 25 -2.115 -10.479 -5.247 1.00 0.00 O ATOM 0 H ASP A 25 -4.046 -13.689 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.366 -13.993 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.051 -12.981 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.645 -13.269 -4.922 1.00 0.00 H new ATOM 322 N ILE A 26 -2.073 -11.059 -2.299 1.00 0.00 N ATOM 323 CA ILE A 26 -1.478 -9.898 -1.649 1.00 0.00 C ATOM 324 C ILE A 26 -0.588 -10.316 -0.483 1.00 0.00 C ATOM 325 O ILE A 26 0.378 -9.631 -0.148 1.00 0.00 O ATOM 326 CB ILE A 26 -2.556 -8.926 -1.135 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.393 -8.395 -2.301 1.00 0.00 C ATOM 328 CG2 ILE A 26 -1.913 -7.777 -0.372 1.00 0.00 C ATOM 329 CD1 ILE A 26 -4.825 -8.084 -1.924 1.00 0.00 C ATOM 0 H ILE A 26 -3.092 -11.047 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.873 -9.391 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.215 -9.465 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.924 -7.492 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.389 -9.131 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.688 -7.099 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.356 -8.171 0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.234 -7.237 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.359 -7.712 -2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.310 -8.990 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.839 -7.326 -1.141 1.00 0.00 H new ATOM 341 N LYS A 27 -0.920 -11.447 0.131 1.00 0.00 N ATOM 342 CA LYS A 27 -0.151 -11.960 1.258 1.00 0.00 C ATOM 343 C LYS A 27 1.187 -12.525 0.792 1.00 0.00 C ATOM 344 O LYS A 27 2.246 -12.110 1.262 1.00 0.00 O ATOM 345 CB LYS A 27 -0.945 -13.041 1.994 1.00 0.00 C ATOM 346 CG LYS A 27 -0.593 -13.159 3.467 1.00 0.00 C ATOM 347 CD LYS A 27 -1.637 -13.958 4.228 1.00 0.00 C ATOM 348 CE LYS A 27 -1.578 -15.436 3.871 1.00 0.00 C ATOM 349 NZ LYS A 27 -2.264 -16.280 4.887 1.00 0.00 N ATOM 0 H LYS A 27 -1.717 -12.026 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 27 0.042 -11.132 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.009 -12.826 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.770 -14.002 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.381 -13.638 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.507 -12.163 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.481 -13.835 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.630 -13.568 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.041 -15.593 2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.537 -15.747 3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.202 -17.280 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.807 -16.150 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.264 -16.001 4.953 1.00 0.00 H new ATOM 363 N LYS A 28 1.131 -13.473 -0.137 1.00 0.00 N ATOM 364 CA LYS A 28 2.338 -14.094 -0.671 1.00 0.00 C ATOM 365 C LYS A 28 3.263 -13.048 -1.284 1.00 0.00 C ATOM 366 O LYS A 28 4.477 -13.086 -1.085 1.00 0.00 O ATOM 367 CB LYS A 28 1.973 -15.146 -1.721 1.00 0.00 C ATOM 368 CG LYS A 28 1.092 -14.612 -2.836 1.00 0.00 C ATOM 369 CD LYS A 28 0.727 -15.702 -3.830 1.00 0.00 C ATOM 370 CE LYS A 28 -0.439 -16.543 -3.332 1.00 0.00 C ATOM 371 NZ LYS A 28 -0.013 -17.524 -2.296 1.00 0.00 N ATOM 0 H LYS A 28 0.262 -13.828 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 28 2.862 -14.578 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.889 -15.548 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.462 -15.974 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.183 -14.187 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.609 -13.804 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.468 -15.251 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.592 -16.343 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.208 -15.890 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.889 -17.073 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.530 -18.416 -2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.008 -17.700 -2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.219 -17.142 -1.351 1.00 0.00 H new ATOM 385 N ALA A 29 2.681 -12.114 -2.028 1.00 0.00 N ATOM 386 CA ALA A 29 3.453 -11.055 -2.667 1.00 0.00 C ATOM 387 C ALA A 29 4.185 -10.208 -1.631 1.00 0.00 C ATOM 388 O ALA A 29 5.363 -9.890 -1.796 1.00 0.00 O ATOM 389 CB ALA A 29 2.545 -10.181 -3.520 1.00 0.00 C ATOM 0 H ALA A 29 1.677 -12.069 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 29 4.199 -11.521 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.135 -9.395 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.072 -10.790 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.777 -9.731 -2.891 1.00 0.00 H new ATOM 395 N TYR A 30 3.481 -9.847 -0.565 1.00 0.00 N ATOM 396 CA TYR A 30 4.063 -9.034 0.496 1.00 0.00 C ATOM 397 C TYR A 30 5.352 -9.662 1.018 1.00 0.00 C ATOM 398 O TYR A 30 6.427 -9.068 0.925 1.00 0.00 O ATOM 399 CB TYR A 30 3.066 -8.864 1.643 1.00 0.00 C ATOM 400 CG TYR A 30 3.718 -8.567 2.975 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.042 -7.265 3.337 1.00 0.00 C ATOM 402 CD2 TYR A 30 4.010 -9.588 3.870 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.638 -6.990 4.552 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.605 -9.322 5.088 1.00 0.00 C ATOM 405 CZ TYR A 30 4.918 -8.021 5.424 1.00 0.00 C ATOM 406 OH TYR A 30 5.511 -7.751 6.636 1.00 0.00 O ATOM 0 H TYR A 30 2.506 -10.104 -0.412 1.00 0.00 H new ATOM 0 HA TYR A 30 4.299 -8.054 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.377 -8.056 1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.472 -9.773 1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.824 -6.455 2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.768 -10.608 3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.884 -5.972 4.818 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.824 -10.128 5.773 1.00 0.00 H new ATOM 0 HH TYR A 30 5.639 -8.587 7.131 1.00 0.00 H new ATOM 416 N ARG A 31 5.236 -10.867 1.566 1.00 0.00 N ATOM 417 CA ARG A 31 6.391 -11.576 2.103 1.00 0.00 C ATOM 418 C ARG A 31 7.642 -11.280 1.281 1.00 0.00 C ATOM 419 O ARG A 31 8.638 -10.780 1.804 1.00 0.00 O ATOM 420 CB ARG A 31 6.126 -13.083 2.124 1.00 0.00 C ATOM 421 CG ARG A 31 4.894 -13.474 2.923 1.00 0.00 C ATOM 422 CD ARG A 31 4.988 -14.905 3.428 1.00 0.00 C ATOM 423 NE ARG A 31 4.494 -15.866 2.444 1.00 0.00 N ATOM 424 CZ ARG A 31 4.865 -17.141 2.412 1.00 0.00 C ATOM 425 NH1 ARG A 31 5.729 -17.606 3.303 1.00 0.00 N ATOM 426 NH2 ARG A 31 4.371 -17.953 1.486 1.00 0.00 N ATOM 0 H ARG A 31 4.354 -11.373 1.650 1.00 0.00 H new ATOM 0 HA ARG A 31 6.557 -11.229 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.012 -13.437 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.996 -13.590 2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.777 -12.796 3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.006 -13.364 2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.025 -15.136 3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.415 -15.003 4.350 1.00 0.00 H new ATOM 0 HE ARG A 31 3.828 -15.540 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.111 -16.984 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.012 -18.586 3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.706 -17.598 0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.656 -18.932 1.462 1.00 0.00 H new ATOM 440 N LYS A 32 7.583 -11.593 -0.009 1.00 0.00 N ATOM 441 CA LYS A 32 8.710 -11.361 -0.905 1.00 0.00 C ATOM 442 C LYS A 32 8.995 -9.869 -1.044 1.00 0.00 C ATOM 443 O LYS A 32 10.145 -9.436 -0.956 1.00 0.00 O ATOM 444 CB LYS A 32 8.427 -11.967 -2.282 1.00 0.00 C ATOM 445 CG LYS A 32 8.604 -13.475 -2.330 1.00 0.00 C ATOM 446 CD LYS A 32 7.403 -14.197 -1.742 1.00 0.00 C ATOM 447 CE LYS A 32 7.655 -15.691 -1.621 1.00 0.00 C ATOM 448 NZ LYS A 32 8.582 -16.008 -0.499 1.00 0.00 N ATOM 0 H LYS A 32 6.766 -12.008 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 32 9.588 -11.843 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.407 -11.720 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.090 -11.508 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.751 -13.792 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.503 -13.754 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.175 -13.785 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.530 -14.024 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.708 -16.208 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.074 -16.066 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.623 -17.038 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.533 -15.650 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.239 -15.557 0.373 1.00 0.00 H new ATOM 462 N LEU A 33 7.943 -9.087 -1.261 1.00 0.00 N ATOM 463 CA LEU A 33 8.081 -7.643 -1.411 1.00 0.00 C ATOM 464 C LEU A 33 8.947 -7.060 -0.298 1.00 0.00 C ATOM 465 O LEU A 33 9.993 -6.468 -0.558 1.00 0.00 O ATOM 466 CB LEU A 33 6.704 -6.976 -1.403 1.00 0.00 C ATOM 467 CG LEU A 33 5.891 -7.101 -2.692 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.445 -6.696 -2.453 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.508 -6.255 -3.796 1.00 0.00 C ATOM 0 H LEU A 33 6.985 -9.429 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 33 8.568 -7.447 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.121 -7.402 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.837 -5.917 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 33 5.907 -8.144 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.882 -6.791 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.006 -7.344 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.409 -5.662 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.916 -6.356 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.524 -5.210 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.527 -6.592 -3.986 1.00 0.00 H new ATOM 481 N ALA A 34 8.503 -7.235 0.943 1.00 0.00 N ATOM 482 CA ALA A 34 9.240 -6.731 2.095 1.00 0.00 C ATOM 483 C ALA A 34 10.743 -6.891 1.899 1.00 0.00 C ATOM 484 O ALA A 34 11.509 -5.944 2.085 1.00 0.00 O ATOM 485 CB ALA A 34 8.791 -7.445 3.362 1.00 0.00 C ATOM 0 H ALA A 34 7.637 -7.722 1.176 1.00 0.00 H new ATOM 0 HA ALA A 34 9.025 -5.667 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.350 -7.059 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.726 -7.274 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.976 -8.515 3.262 1.00 0.00 H new ATOM 491 N LEU A 35 11.161 -8.094 1.523 1.00 0.00 N ATOM 492 CA LEU A 35 12.575 -8.379 1.302 1.00 0.00 C ATOM 493 C LEU A 35 13.077 -7.693 0.035 1.00 0.00 C ATOM 494 O LEU A 35 14.212 -7.221 -0.018 1.00 0.00 O ATOM 495 CB LEU A 35 12.802 -9.888 1.203 1.00 0.00 C ATOM 496 CG LEU A 35 13.102 -10.610 2.517 1.00 0.00 C ATOM 497 CD1 LEU A 35 12.674 -12.067 2.436 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.582 -10.505 2.857 1.00 0.00 C ATOM 0 H LEU A 35 10.541 -8.888 1.365 1.00 0.00 H new ATOM 0 HA LEU A 35 13.136 -7.989 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.916 -10.340 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.630 -10.066 0.517 1.00 0.00 H new ATOM 0 HG LEU A 35 12.532 -10.129 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.896 -12.564 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.603 -12.121 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.216 -12.561 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.778 -11.024 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.171 -10.960 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.858 -9.456 2.959 1.00 0.00 H new ATOM 510 N ARG A 36 12.222 -7.641 -0.981 1.00 0.00 N ATOM 511 CA ARG A 36 12.579 -7.012 -2.247 1.00 0.00 C ATOM 512 C ARG A 36 12.941 -5.544 -2.042 1.00 0.00 C ATOM 513 O ARG A 36 13.961 -5.070 -2.543 1.00 0.00 O ATOM 514 CB ARG A 36 11.423 -7.129 -3.243 1.00 0.00 C ATOM 515 CG ARG A 36 11.819 -6.812 -4.675 1.00 0.00 C ATOM 516 CD ARG A 36 11.746 -5.319 -4.956 1.00 0.00 C ATOM 517 NE ARG A 36 12.678 -4.913 -6.005 1.00 0.00 N ATOM 518 CZ ARG A 36 12.401 -4.982 -7.302 1.00 0.00 C ATOM 519 NH1 ARG A 36 11.224 -5.438 -7.708 1.00 0.00 N ATOM 520 NH2 ARG A 36 13.302 -4.594 -8.196 1.00 0.00 N ATOM 0 H ARG A 36 11.278 -8.026 -0.952 1.00 0.00 H new ATOM 0 HA ARG A 36 13.450 -7.530 -2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.020 -8.141 -3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.623 -6.455 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.832 -7.169 -4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.162 -7.345 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.731 -5.055 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.966 -4.767 -4.042 1.00 0.00 H new ATOM 0 HE ARG A 36 13.592 -4.557 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.529 -5.737 -7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.013 -5.490 -8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.208 -4.242 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.088 -4.647 -9.192 1.00 0.00 H new ATOM 534 N TRP A 37 12.100 -4.830 -1.303 1.00 0.00 N ATOM 535 CA TRP A 37 12.331 -3.416 -1.032 1.00 0.00 C ATOM 536 C TRP A 37 13.144 -3.232 0.245 1.00 0.00 C ATOM 537 O TRP A 37 13.171 -2.146 0.824 1.00 0.00 O ATOM 538 CB TRP A 37 10.999 -2.674 -0.915 1.00 0.00 C ATOM 539 CG TRP A 37 10.356 -2.395 -2.239 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.241 -2.995 -2.752 1.00 0.00 C ATOM 541 CD2 TRP A 37 10.790 -1.447 -3.221 1.00 0.00 C ATOM 542 NE1 TRP A 37 8.956 -2.478 -3.992 1.00 0.00 N ATOM 543 CE2 TRP A 37 9.891 -1.526 -4.302 1.00 0.00 C ATOM 544 CE3 TRP A 37 11.849 -0.538 -3.290 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.022 -0.730 -5.438 1.00 0.00 C ATOM 546 CZ3 TRP A 37 11.978 0.250 -4.418 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.068 0.151 -5.479 1.00 0.00 C ATOM 0 H TRP A 37 11.252 -5.207 -0.881 1.00 0.00 H new ATOM 0 HA TRP A 37 12.899 -3.000 -1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.315 -3.264 -0.304 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.161 -1.731 -0.392 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.668 -3.764 -2.255 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.175 -2.757 -4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.554 -0.453 -2.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.322 -0.806 -6.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.794 0.954 -4.483 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.195 0.782 -6.346 1.00 0.00 H new ATOM 558 N HIS A 38 13.805 -4.300 0.680 1.00 0.00 N ATOM 559 CA HIS A 38 14.620 -4.256 1.889 1.00 0.00 C ATOM 560 C HIS A 38 15.836 -3.356 1.691 1.00 0.00 C ATOM 561 O HIS A 38 16.481 -3.365 0.643 1.00 0.00 O ATOM 562 CB HIS A 38 15.070 -5.664 2.278 1.00 0.00 C ATOM 563 CG HIS A 38 15.431 -5.798 3.725 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.686 -5.507 4.218 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.694 -6.194 4.789 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.705 -5.720 5.522 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.508 -6.137 5.893 1.00 0.00 N ATOM 0 H HIS A 38 13.792 -5.207 0.213 1.00 0.00 H new ATOM 0 HA HIS A 38 14.011 -3.843 2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.272 -6.369 2.044 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.931 -5.943 1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.658 -6.498 4.773 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.555 -5.577 6.173 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.233 -6.378 6.845 1.00 0.00 H new ATOM 575 N PRO A 39 16.157 -2.560 2.722 1.00 0.00 N ATOM 576 CA PRO A 39 17.298 -1.639 2.685 1.00 0.00 C ATOM 577 C PRO A 39 18.635 -2.372 2.707 1.00 0.00 C ATOM 578 O PRO A 39 19.568 -2.002 1.995 1.00 0.00 O ATOM 579 CB PRO A 39 17.123 -0.807 3.958 1.00 0.00 C ATOM 580 CG PRO A 39 16.343 -1.682 4.878 1.00 0.00 C ATOM 581 CD PRO A 39 15.433 -2.497 4.002 1.00 0.00 C ATOM 0 HA PRO A 39 17.314 -1.046 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.087 -0.537 4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.594 0.124 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.004 -2.325 5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.770 -1.088 5.590 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.261 -3.491 4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.457 -2.026 3.889 1.00 0.00 H new ATOM 589 N ASP A 40 18.720 -3.413 3.528 1.00 0.00 N ATOM 590 CA ASP A 40 19.943 -4.199 3.642 1.00 0.00 C ATOM 591 C ASP A 40 20.282 -4.872 2.315 1.00 0.00 C ATOM 592 O ASP A 40 21.452 -5.030 1.967 1.00 0.00 O ATOM 593 CB ASP A 40 19.798 -5.253 4.740 1.00 0.00 C ATOM 594 CG ASP A 40 21.053 -6.085 4.915 1.00 0.00 C ATOM 595 OD1 ASP A 40 22.154 -5.559 4.651 1.00 0.00 O ATOM 596 OD2 ASP A 40 20.934 -7.262 5.314 1.00 0.00 O ATOM 0 H ASP A 40 17.957 -3.732 4.124 1.00 0.00 H new ATOM 0 HA ASP A 40 20.756 -3.523 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.558 -4.761 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.961 -5.909 4.501 1.00 0.00 H new ATOM 601 N LYS A 41 19.250 -5.269 1.579 1.00 0.00 N ATOM 602 CA LYS A 41 19.436 -5.925 0.290 1.00 0.00 C ATOM 603 C LYS A 41 19.868 -4.922 -0.775 1.00 0.00 C ATOM 604 O LYS A 41 20.441 -5.296 -1.797 1.00 0.00 O ATOM 605 CB LYS A 41 18.143 -6.620 -0.143 1.00 0.00 C ATOM 606 CG LYS A 41 17.757 -7.793 0.740 1.00 0.00 C ATOM 607 CD LYS A 41 18.680 -8.980 0.526 1.00 0.00 C ATOM 608 CE LYS A 41 18.593 -9.970 1.678 1.00 0.00 C ATOM 609 NZ LYS A 41 19.857 -10.738 1.846 1.00 0.00 N ATOM 0 H LYS A 41 18.275 -5.148 1.853 1.00 0.00 H new ATOM 0 HA LYS A 41 20.223 -6.671 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.331 -5.892 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.255 -6.970 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.791 -7.489 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.729 -8.087 0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.419 -9.481 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.707 -8.630 0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.368 -9.435 2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.769 -10.661 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.757 -11.401 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.059 -11.269 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.639 -10.081 2.040 1.00 0.00 H new ATOM 623 N ASN A 42 19.590 -3.646 -0.526 1.00 0.00 N ATOM 624 CA ASN A 42 19.951 -2.589 -1.463 1.00 0.00 C ATOM 625 C ASN A 42 21.092 -1.739 -0.912 1.00 0.00 C ATOM 626 O ASN A 42 20.898 -0.876 -0.055 1.00 0.00 O ATOM 627 CB ASN A 42 18.738 -1.704 -1.759 1.00 0.00 C ATOM 628 CG ASN A 42 17.704 -2.407 -2.617 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.930 -2.655 -3.801 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.563 -2.732 -2.021 1.00 0.00 N ATOM 0 H ASN A 42 19.116 -3.320 0.316 1.00 0.00 H new ATOM 0 HA ASN A 42 20.285 -3.058 -2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.278 -1.397 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.069 -0.796 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.830 -3.207 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.419 -2.506 -1.037 1.00 0.00 H new ATOM 637 N PRO A 43 22.310 -1.987 -1.414 1.00 0.00 N ATOM 638 CA PRO A 43 23.506 -1.255 -0.988 1.00 0.00 C ATOM 639 C PRO A 43 23.499 0.194 -1.461 1.00 0.00 C ATOM 640 O PRO A 43 23.733 1.115 -0.678 1.00 0.00 O ATOM 641 CB PRO A 43 24.650 -2.028 -1.650 1.00 0.00 C ATOM 642 CG PRO A 43 24.029 -2.682 -2.835 1.00 0.00 C ATOM 643 CD PRO A 43 22.614 -3.001 -2.438 1.00 0.00 C ATOM 0 HA PRO A 43 23.583 -1.199 0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.460 -1.361 -1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.076 -2.765 -0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.052 -2.021 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.571 -3.587 -3.110 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.933 -2.932 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.526 -4.012 -2.041 1.00 0.00 H new ATOM 651 N ASP A 44 23.228 0.390 -2.747 1.00 0.00 N ATOM 652 CA ASP A 44 23.188 1.729 -3.325 1.00 0.00 C ATOM 653 C ASP A 44 22.208 2.619 -2.568 1.00 0.00 C ATOM 654 O ASP A 44 22.578 3.678 -2.064 1.00 0.00 O ATOM 655 CB ASP A 44 22.797 1.658 -4.802 1.00 0.00 C ATOM 656 CG ASP A 44 23.987 1.403 -5.705 1.00 0.00 C ATOM 657 OD1 ASP A 44 24.406 0.232 -5.817 1.00 0.00 O ATOM 658 OD2 ASP A 44 24.500 2.374 -6.299 1.00 0.00 O ATOM 0 H ASP A 44 23.033 -0.361 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 44 24.184 2.164 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 44 22.062 0.865 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 44 22.318 2.593 -5.093 1.00 0.00 H new ATOM 663 N ASN A 45 20.955 2.180 -2.492 1.00 0.00 N ATOM 664 CA ASN A 45 19.920 2.938 -1.798 1.00 0.00 C ATOM 665 C ASN A 45 19.412 2.174 -0.579 1.00 0.00 C ATOM 666 O ASN A 45 18.712 1.170 -0.709 1.00 0.00 O ATOM 667 CB ASN A 45 18.758 3.240 -2.746 1.00 0.00 C ATOM 668 CG ASN A 45 18.018 1.986 -3.172 1.00 0.00 C ATOM 669 OD1 ASN A 45 18.536 1.179 -3.943 1.00 0.00 O ATOM 670 ND2 ASN A 45 16.801 1.818 -2.670 1.00 0.00 N ATOM 0 H ASN A 45 20.632 1.304 -2.902 1.00 0.00 H new ATOM 0 HA ASN A 45 20.357 3.877 -1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.061 3.921 -2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.138 3.753 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.255 0.993 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.411 2.514 -2.034 1.00 0.00 H new ATOM 677 N LYS A 46 19.770 2.657 0.606 1.00 0.00 N ATOM 678 CA LYS A 46 19.350 2.022 1.850 1.00 0.00 C ATOM 679 C LYS A 46 18.066 2.656 2.377 1.00 0.00 C ATOM 680 O LYS A 46 17.094 1.959 2.666 1.00 0.00 O ATOM 681 CB LYS A 46 20.455 2.133 2.902 1.00 0.00 C ATOM 682 CG LYS A 46 21.427 0.966 2.888 1.00 0.00 C ATOM 683 CD LYS A 46 22.561 1.196 1.904 1.00 0.00 C ATOM 684 CE LYS A 46 23.779 0.353 2.250 1.00 0.00 C ATOM 685 NZ LYS A 46 24.601 0.979 3.322 1.00 0.00 N ATOM 0 H LYS A 46 20.350 3.486 0.731 1.00 0.00 H new ATOM 0 HA LYS A 46 19.157 0.969 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.008 3.058 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.999 2.204 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.836 0.820 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.895 0.052 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.224 0.954 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.835 2.251 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.456 -0.637 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.390 0.215 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.421 0.374 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.931 1.913 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.026 1.088 4.182 1.00 0.00 H new ATOM 699 N GLU A 47 18.071 3.980 2.498 1.00 0.00 N ATOM 700 CA GLU A 47 16.906 4.705 2.990 1.00 0.00 C ATOM 701 C GLU A 47 15.722 4.541 2.041 1.00 0.00 C ATOM 702 O GLU A 47 14.690 3.982 2.412 1.00 0.00 O ATOM 703 CB GLU A 47 17.236 6.190 3.159 1.00 0.00 C ATOM 704 CG GLU A 47 16.180 6.964 3.930 1.00 0.00 C ATOM 705 CD GLU A 47 16.687 8.303 4.429 1.00 0.00 C ATOM 706 OE1 GLU A 47 17.508 8.314 5.370 1.00 0.00 O ATOM 707 OE2 GLU A 47 16.264 9.340 3.877 1.00 0.00 O ATOM 0 H GLU A 47 18.868 4.571 2.262 1.00 0.00 H new ATOM 0 HA GLU A 47 16.633 4.288 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.192 6.285 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.358 6.641 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.312 7.124 3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.845 6.367 4.778 1.00 0.00 H new ATOM 714 N GLU A 48 15.880 5.032 0.816 1.00 0.00 N ATOM 715 CA GLU A 48 14.824 4.940 -0.185 1.00 0.00 C ATOM 716 C GLU A 48 14.074 3.616 -0.066 1.00 0.00 C ATOM 717 O GLU A 48 12.849 3.572 -0.176 1.00 0.00 O ATOM 718 CB GLU A 48 15.410 5.082 -1.591 1.00 0.00 C ATOM 719 CG GLU A 48 14.387 4.891 -2.699 1.00 0.00 C ATOM 720 CD GLU A 48 14.808 5.545 -4.001 1.00 0.00 C ATOM 721 OE1 GLU A 48 14.708 6.786 -4.100 1.00 0.00 O ATOM 722 OE2 GLU A 48 15.236 4.817 -4.920 1.00 0.00 O ATOM 0 H GLU A 48 16.728 5.497 0.493 1.00 0.00 H new ATOM 0 HA GLU A 48 14.120 5.753 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.860 6.070 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.210 4.353 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.232 3.825 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.431 5.306 -2.381 1.00 0.00 H new ATOM 729 N ALA A 49 14.820 2.539 0.159 1.00 0.00 N ATOM 730 CA ALA A 49 14.227 1.215 0.295 1.00 0.00 C ATOM 731 C ALA A 49 13.439 1.096 1.595 1.00 0.00 C ATOM 732 O ALA A 49 12.320 0.586 1.609 1.00 0.00 O ATOM 733 CB ALA A 49 15.306 0.144 0.230 1.00 0.00 C ATOM 0 H ALA A 49 15.836 2.558 0.251 1.00 0.00 H new ATOM 0 HA ALA A 49 13.534 1.068 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.849 -0.840 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.823 0.206 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.021 0.298 1.038 1.00 0.00 H new ATOM 739 N GLU A 50 14.033 1.570 2.687 1.00 0.00 N ATOM 740 CA GLU A 50 13.386 1.515 3.992 1.00 0.00 C ATOM 741 C GLU A 50 11.930 1.961 3.898 1.00 0.00 C ATOM 742 O GLU A 50 11.015 1.209 4.232 1.00 0.00 O ATOM 743 CB GLU A 50 14.137 2.393 4.995 1.00 0.00 C ATOM 744 CG GLU A 50 15.200 1.646 5.783 1.00 0.00 C ATOM 745 CD GLU A 50 15.736 2.453 6.950 1.00 0.00 C ATOM 746 OE1 GLU A 50 15.019 2.578 7.965 1.00 0.00 O ATOM 747 OE2 GLU A 50 16.873 2.959 6.847 1.00 0.00 O ATOM 0 H GLU A 50 14.960 1.996 2.693 1.00 0.00 H new ATOM 0 HA GLU A 50 13.408 0.481 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 50 14.606 3.219 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.420 2.829 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.781 0.711 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.023 1.385 5.118 1.00 0.00 H new ATOM 754 N LYS A 51 11.724 3.191 3.439 1.00 0.00 N ATOM 755 CA LYS A 51 10.380 3.741 3.299 1.00 0.00 C ATOM 756 C LYS A 51 9.438 2.720 2.669 1.00 0.00 C ATOM 757 O LYS A 51 8.389 2.399 3.228 1.00 0.00 O ATOM 758 CB LYS A 51 10.413 5.013 2.449 1.00 0.00 C ATOM 759 CG LYS A 51 9.036 5.511 2.046 1.00 0.00 C ATOM 760 CD LYS A 51 8.229 5.957 3.254 1.00 0.00 C ATOM 761 CE LYS A 51 8.703 7.305 3.774 1.00 0.00 C ATOM 762 NZ LYS A 51 8.235 7.560 5.164 1.00 0.00 N ATOM 0 H LYS A 51 12.471 3.826 3.157 1.00 0.00 H new ATOM 0 HA LYS A 51 10.009 3.986 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.926 5.798 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.999 4.824 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.138 6.342 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.501 4.719 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.174 6.020 2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.313 5.211 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.792 7.343 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.339 8.096 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.579 8.489 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.195 7.550 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.603 6.820 5.795 1.00 0.00 H new ATOM 776 N LYS A 52 9.820 2.211 1.502 1.00 0.00 N ATOM 777 CA LYS A 52 9.011 1.224 0.796 1.00 0.00 C ATOM 778 C LYS A 52 8.573 0.106 1.737 1.00 0.00 C ATOM 779 O LYS A 52 7.422 -0.329 1.706 1.00 0.00 O ATOM 780 CB LYS A 52 9.797 0.637 -0.379 1.00 0.00 C ATOM 781 CG LYS A 52 10.071 1.638 -1.487 1.00 0.00 C ATOM 782 CD LYS A 52 8.890 1.757 -2.436 1.00 0.00 C ATOM 783 CE LYS A 52 9.180 2.731 -3.567 1.00 0.00 C ATOM 784 NZ LYS A 52 9.178 4.144 -3.097 1.00 0.00 N ATOM 0 H LYS A 52 10.685 2.466 1.025 1.00 0.00 H new ATOM 0 HA LYS A 52 8.121 1.725 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.746 0.246 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.243 -0.206 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.289 2.613 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.957 1.332 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.654 0.777 -2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.011 2.090 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.149 2.497 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.434 2.608 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.363 4.777 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.251 4.371 -2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.919 4.272 -2.378 1.00 0.00 H new ATOM 798 N PHE A 53 9.497 -0.353 2.574 1.00 0.00 N ATOM 799 CA PHE A 53 9.206 -1.420 3.525 1.00 0.00 C ATOM 800 C PHE A 53 7.914 -1.133 4.285 1.00 0.00 C ATOM 801 O PHE A 53 7.019 -1.975 4.351 1.00 0.00 O ATOM 802 CB PHE A 53 10.365 -1.585 4.510 1.00 0.00 C ATOM 803 CG PHE A 53 10.248 -2.808 5.374 1.00 0.00 C ATOM 804 CD1 PHE A 53 10.586 -4.057 4.878 1.00 0.00 C ATOM 805 CD2 PHE A 53 9.801 -2.709 6.681 1.00 0.00 C ATOM 806 CE1 PHE A 53 10.479 -5.184 5.670 1.00 0.00 C ATOM 807 CE2 PHE A 53 9.692 -3.833 7.479 1.00 0.00 C ATOM 808 CZ PHE A 53 10.033 -5.072 6.972 1.00 0.00 C ATOM 0 H PHE A 53 10.454 -0.003 2.613 1.00 0.00 H new ATOM 0 HA PHE A 53 9.080 -2.347 2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.301 -1.632 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.417 -0.703 5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.937 -4.151 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.534 -1.742 7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.744 -6.152 5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.341 -3.742 8.496 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.951 -5.952 7.593 1.00 0.00 H new ATOM 818 N LYS A 54 7.825 0.062 4.858 1.00 0.00 N ATOM 819 CA LYS A 54 6.644 0.463 5.614 1.00 0.00 C ATOM 820 C LYS A 54 5.395 0.407 4.741 1.00 0.00 C ATOM 821 O LYS A 54 4.349 -0.084 5.167 1.00 0.00 O ATOM 822 CB LYS A 54 6.826 1.876 6.173 1.00 0.00 C ATOM 823 CG LYS A 54 5.774 2.265 7.197 1.00 0.00 C ATOM 824 CD LYS A 54 6.113 1.725 8.576 1.00 0.00 C ATOM 825 CE LYS A 54 5.041 2.084 9.594 1.00 0.00 C ATOM 826 NZ LYS A 54 5.492 1.827 10.989 1.00 0.00 N ATOM 0 H LYS A 54 8.557 0.771 4.813 1.00 0.00 H new ATOM 0 HA LYS A 54 6.519 -0.235 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.812 1.952 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.801 2.590 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.691 3.351 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.802 1.883 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.222 0.642 8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.073 2.127 8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.776 3.136 9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.140 1.505 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.733 2.084 11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.721 0.819 11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.337 2.398 11.191 1.00 0.00 H new ATOM 840 N LEU A 55 5.511 0.911 3.517 1.00 0.00 N ATOM 841 CA LEU A 55 4.391 0.917 2.583 1.00 0.00 C ATOM 842 C LEU A 55 3.891 -0.501 2.323 1.00 0.00 C ATOM 843 O LEU A 55 2.699 -0.783 2.452 1.00 0.00 O ATOM 844 CB LEU A 55 4.804 1.573 1.264 1.00 0.00 C ATOM 845 CG LEU A 55 4.695 3.097 1.210 1.00 0.00 C ATOM 846 CD1 LEU A 55 3.253 3.536 1.412 1.00 0.00 C ATOM 847 CD2 LEU A 55 5.600 3.735 2.254 1.00 0.00 C ATOM 0 H LEU A 55 6.369 1.321 3.149 1.00 0.00 H new ATOM 0 HA LEU A 55 3.581 1.493 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.836 1.295 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.190 1.156 0.466 1.00 0.00 H new ATOM 0 HG LEU A 55 5.021 3.430 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.195 4.624 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.629 3.109 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.900 3.191 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.509 4.820 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.306 3.395 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.634 3.448 2.063 1.00 0.00 H new ATOM 859 N VAL A 56 4.809 -1.390 1.959 1.00 0.00 N ATOM 860 CA VAL A 56 4.463 -2.779 1.685 1.00 0.00 C ATOM 861 C VAL A 56 3.620 -3.368 2.811 1.00 0.00 C ATOM 862 O VAL A 56 2.590 -3.995 2.566 1.00 0.00 O ATOM 863 CB VAL A 56 5.722 -3.645 1.495 1.00 0.00 C ATOM 864 CG1 VAL A 56 5.345 -5.111 1.342 1.00 0.00 C ATOM 865 CG2 VAL A 56 6.522 -3.164 0.293 1.00 0.00 C ATOM 0 H VAL A 56 5.799 -1.173 1.847 1.00 0.00 H new ATOM 0 HA VAL A 56 3.885 -2.784 0.761 1.00 0.00 H new ATOM 0 HB VAL A 56 6.347 -3.546 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.248 -5.707 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.818 -5.446 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.699 -5.232 0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.408 -3.787 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.907 -3.232 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.825 -2.128 0.448 1.00 0.00 H new ATOM 875 N SER A 57 4.065 -3.160 4.046 1.00 0.00 N ATOM 876 CA SER A 57 3.354 -3.673 5.211 1.00 0.00 C ATOM 877 C SER A 57 2.021 -2.954 5.394 1.00 0.00 C ATOM 878 O SER A 57 0.978 -3.588 5.550 1.00 0.00 O ATOM 879 CB SER A 57 4.209 -3.512 6.469 1.00 0.00 C ATOM 880 OG SER A 57 3.561 -4.067 7.601 1.00 0.00 O ATOM 0 H SER A 57 4.914 -2.640 4.266 1.00 0.00 H new ATOM 0 HA SER A 57 3.157 -4.732 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.173 -4.000 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.410 -2.455 6.643 1.00 0.00 H new ATOM 0 HG SER A 57 4.129 -3.953 8.392 1.00 0.00 H new ATOM 886 N GLU A 58 2.065 -1.625 5.373 1.00 0.00 N ATOM 887 CA GLU A 58 0.860 -0.819 5.538 1.00 0.00 C ATOM 888 C GLU A 58 -0.207 -1.224 4.525 1.00 0.00 C ATOM 889 O GLU A 58 -1.271 -1.720 4.894 1.00 0.00 O ATOM 890 CB GLU A 58 1.190 0.667 5.382 1.00 0.00 C ATOM 891 CG GLU A 58 0.166 1.588 6.024 1.00 0.00 C ATOM 892 CD GLU A 58 0.442 1.831 7.495 1.00 0.00 C ATOM 893 OE1 GLU A 58 1.608 2.114 7.842 1.00 0.00 O ATOM 894 OE2 GLU A 58 -0.508 1.737 8.300 1.00 0.00 O ATOM 0 H GLU A 58 2.920 -1.084 5.244 1.00 0.00 H new ATOM 0 HA GLU A 58 0.470 -0.994 6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.168 0.862 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.265 0.905 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.160 2.542 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.828 1.155 5.911 1.00 0.00 H new ATOM 901 N ALA A 59 0.085 -1.007 3.247 1.00 0.00 N ATOM 902 CA ALA A 59 -0.848 -1.350 2.181 1.00 0.00 C ATOM 903 C ALA A 59 -1.260 -2.816 2.263 1.00 0.00 C ATOM 904 O ALA A 59 -2.432 -3.152 2.087 1.00 0.00 O ATOM 905 CB ALA A 59 -0.232 -1.048 0.823 1.00 0.00 C ATOM 0 H ALA A 59 0.961 -0.595 2.925 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.743 -0.741 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.940 -1.309 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.006 0.014 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.680 -1.632 0.699 1.00 0.00 H new ATOM 911 N TYR A 60 -0.291 -3.684 2.530 1.00 0.00 N ATOM 912 CA TYR A 60 -0.554 -5.115 2.632 1.00 0.00 C ATOM 913 C TYR A 60 -1.725 -5.388 3.570 1.00 0.00 C ATOM 914 O TYR A 60 -2.545 -6.270 3.315 1.00 0.00 O ATOM 915 CB TYR A 60 0.693 -5.849 3.128 1.00 0.00 C ATOM 916 CG TYR A 60 0.391 -7.162 3.813 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.522 -8.058 3.268 1.00 0.00 C ATOM 918 CD2 TYR A 60 1.016 -7.507 5.004 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.802 -9.259 3.891 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.742 -8.707 5.633 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.167 -9.579 5.073 1.00 0.00 C ATOM 922 OH TYR A 60 -0.443 -10.774 5.697 1.00 0.00 O ATOM 0 H TYR A 60 0.683 -3.422 2.680 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.814 -5.483 1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.356 -6.034 2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.233 -5.203 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.021 -7.811 2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.728 -6.826 5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.514 -9.944 3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.238 -8.960 6.559 1.00 0.00 H new ATOM 0 HH TYR A 60 0.089 -10.845 6.517 1.00 0.00 H new ATOM 932 N GLU A 61 -1.796 -4.625 4.656 1.00 0.00 N ATOM 933 CA GLU A 61 -2.867 -4.785 5.633 1.00 0.00 C ATOM 934 C GLU A 61 -4.118 -4.027 5.198 1.00 0.00 C ATOM 935 O GLU A 61 -5.219 -4.576 5.192 1.00 0.00 O ATOM 936 CB GLU A 61 -2.411 -4.293 7.008 1.00 0.00 C ATOM 937 CG GLU A 61 -1.441 -5.234 7.701 1.00 0.00 C ATOM 938 CD GLU A 61 -1.303 -4.944 9.183 1.00 0.00 C ATOM 939 OE1 GLU A 61 -1.249 -3.752 9.552 1.00 0.00 O ATOM 940 OE2 GLU A 61 -1.249 -5.909 9.974 1.00 0.00 O ATOM 0 H GLU A 61 -1.125 -3.890 4.882 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.110 -5.846 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.940 -3.316 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.286 -4.154 7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.779 -6.262 7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.463 -5.155 7.227 1.00 0.00 H new ATOM 947 N VAL A 62 -3.939 -2.760 4.836 1.00 0.00 N ATOM 948 CA VAL A 62 -5.052 -1.926 4.399 1.00 0.00 C ATOM 949 C VAL A 62 -5.951 -2.676 3.422 1.00 0.00 C ATOM 950 O VAL A 62 -7.171 -2.508 3.431 1.00 0.00 O ATOM 951 CB VAL A 62 -4.554 -0.631 3.730 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.709 0.111 3.075 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.848 0.255 4.745 1.00 0.00 C ATOM 0 H VAL A 62 -3.034 -2.289 4.837 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.624 -1.669 5.291 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.838 -0.897 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.337 1.023 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.167 -0.525 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.452 0.367 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.503 1.165 4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.541 0.514 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.994 -0.279 5.162 1.00 0.00 H new ATOM 963 N LEU A 63 -5.341 -3.503 2.581 1.00 0.00 N ATOM 964 CA LEU A 63 -6.086 -4.281 1.597 1.00 0.00 C ATOM 965 C LEU A 63 -6.541 -5.612 2.187 1.00 0.00 C ATOM 966 O LEU A 63 -7.686 -6.025 2.002 1.00 0.00 O ATOM 967 CB LEU A 63 -5.226 -4.527 0.356 1.00 0.00 C ATOM 968 CG LEU A 63 -4.802 -3.283 -0.424 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.806 -3.650 -1.514 1.00 0.00 C ATOM 970 CD2 LEU A 63 -6.016 -2.587 -1.021 1.00 0.00 C ATOM 0 H LEU A 63 -4.332 -3.652 2.560 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.970 -3.710 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.328 -5.063 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.776 -5.184 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.317 -2.593 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.515 -2.752 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.923 -4.102 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.265 -4.359 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.694 -1.704 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.531 -3.270 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.694 -2.288 -0.221 1.00 0.00 H new ATOM 982 N SER A 64 -5.638 -6.278 2.899 1.00 0.00 N ATOM 983 CA SER A 64 -5.947 -7.563 3.515 1.00 0.00 C ATOM 984 C SER A 64 -7.220 -7.473 4.351 1.00 0.00 C ATOM 985 O SER A 64 -8.104 -8.324 4.249 1.00 0.00 O ATOM 986 CB SER A 64 -4.780 -8.027 4.390 1.00 0.00 C ATOM 987 OG SER A 64 -3.886 -8.845 3.655 1.00 0.00 O ATOM 0 H SER A 64 -4.687 -5.949 3.064 1.00 0.00 H new ATOM 0 HA SER A 64 -6.107 -8.290 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.247 -7.160 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.162 -8.580 5.248 1.00 0.00 H new ATOM 0 HG SER A 64 -2.972 -8.702 3.978 1.00 0.00 H new ATOM 993 N ASP A 65 -7.305 -6.437 5.178 1.00 0.00 N ATOM 994 CA ASP A 65 -8.469 -6.234 6.032 1.00 0.00 C ATOM 995 C ASP A 65 -9.707 -5.921 5.197 1.00 0.00 C ATOM 996 O ASP A 65 -9.603 -5.576 4.020 1.00 0.00 O ATOM 997 CB ASP A 65 -8.208 -5.101 7.025 1.00 0.00 C ATOM 998 CG ASP A 65 -7.278 -5.517 8.148 1.00 0.00 C ATOM 999 OD1 ASP A 65 -7.585 -6.515 8.832 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -6.244 -4.843 8.342 1.00 0.00 O ATOM 0 H ASP A 65 -6.581 -5.725 5.275 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.649 -7.156 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.777 -4.251 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.156 -4.767 7.447 1.00 0.00 H new ATOM 1005 N SER A 66 -10.878 -6.046 5.815 1.00 0.00 N ATOM 1006 CA SER A 66 -12.136 -5.781 5.127 1.00 0.00 C ATOM 1007 C SER A 66 -12.585 -4.340 5.351 1.00 0.00 C ATOM 1008 O SER A 66 -13.101 -3.690 4.441 1.00 0.00 O ATOM 1009 CB SER A 66 -13.220 -6.745 5.614 1.00 0.00 C ATOM 1010 OG SER A 66 -13.490 -6.556 6.992 1.00 0.00 O ATOM 0 H SER A 66 -10.981 -6.329 6.790 1.00 0.00 H new ATOM 0 HA SER A 66 -11.977 -5.932 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.132 -6.592 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.901 -7.773 5.440 1.00 0.00 H new ATOM 0 HG SER A 66 -14.187 -7.183 7.278 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.383 -3.846 6.568 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.765 -2.482 6.913 1.00 0.00 C ATOM 1018 C LYS A 67 -11.852 -1.471 6.225 1.00 0.00 C ATOM 1019 O LYS A 67 -12.304 -0.420 5.771 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.711 -2.284 8.430 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.362 -2.623 9.040 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.180 -1.957 10.394 1.00 0.00 C ATOM 1023 CE LYS A 67 -12.012 -2.640 11.467 1.00 0.00 C ATOM 1024 NZ LYS A 67 -11.702 -2.117 12.827 1.00 0.00 N ATOM 0 H LYS A 67 -11.957 -4.370 7.332 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.786 -2.318 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.955 -1.247 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.477 -2.903 8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.272 -3.704 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.566 -2.304 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.127 -1.985 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.464 -0.907 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.071 -2.493 11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.828 -3.714 11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.290 -2.608 13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.697 -2.280 13.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.902 -1.097 12.861 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.566 -1.797 6.150 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.590 -0.920 5.516 1.00 0.00 C ATOM 1040 C LYS A 68 -9.705 -0.988 3.996 1.00 0.00 C ATOM 1041 O LYS A 68 -9.771 0.041 3.323 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.173 -1.302 5.948 1.00 0.00 C ATOM 1043 CG LYS A 68 -7.805 -0.803 7.335 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.430 -1.293 7.757 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.282 -1.302 9.271 1.00 0.00 C ATOM 1046 NZ LYS A 68 -5.783 0.003 9.787 1.00 0.00 N ATOM 0 H LYS A 68 -10.176 -2.663 6.521 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.797 0.102 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.075 -2.387 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.461 -0.901 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.824 0.287 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.550 -1.143 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.266 -2.298 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.664 -0.653 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.245 -1.529 9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.594 -2.095 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.696 -0.044 10.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.853 0.208 9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.452 0.757 9.530 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.729 -2.205 3.463 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.836 -2.406 2.023 1.00 0.00 C ATOM 1062 C ARG A 69 -10.960 -1.556 1.437 1.00 0.00 C ATOM 1063 O ARG A 69 -10.750 -0.800 0.489 1.00 0.00 O ATOM 1064 CB ARG A 69 -10.082 -3.883 1.709 1.00 0.00 C ATOM 1065 CG ARG A 69 -10.331 -4.159 0.236 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.053 -4.572 -0.478 1.00 0.00 C ATOM 1067 NE ARG A 69 -9.293 -4.912 -1.877 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.521 -5.737 -2.576 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -7.465 -6.303 -2.008 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -8.805 -5.997 -3.846 1.00 0.00 N ATOM 0 H ARG A 69 -9.676 -3.066 4.007 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.895 -2.097 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.221 -4.464 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.940 -4.230 2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.077 -4.947 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.742 -3.267 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.328 -3.760 -0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.613 -5.429 0.033 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.098 -4.493 -2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.244 -6.105 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.874 -6.936 -2.547 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.616 -5.563 -4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.212 -6.630 -4.382 1.00 0.00 H new ATOM 1084 N SER A 70 -12.152 -1.687 2.009 1.00 0.00 N ATOM 1085 CA SER A 70 -13.311 -0.934 1.541 1.00 0.00 C ATOM 1086 C SER A 70 -13.143 0.555 1.827 1.00 0.00 C ATOM 1087 O SER A 70 -13.351 1.395 0.950 1.00 0.00 O ATOM 1088 CB SER A 70 -14.586 -1.452 2.209 1.00 0.00 C ATOM 1089 OG SER A 70 -15.095 -2.585 1.527 1.00 0.00 O ATOM 0 H SER A 70 -12.341 -2.307 2.797 1.00 0.00 H new ATOM 0 HA SER A 70 -13.392 -1.073 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.377 -1.712 3.247 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.339 -0.664 2.223 1.00 0.00 H new ATOM 0 HG SER A 70 -15.909 -2.898 1.974 1.00 0.00 H new ATOM 1095 N LEU A 71 -12.765 0.876 3.059 1.00 0.00 N ATOM 1096 CA LEU A 71 -12.568 2.264 3.462 1.00 0.00 C ATOM 1097 C LEU A 71 -11.659 2.993 2.478 1.00 0.00 C ATOM 1098 O LEU A 71 -11.919 4.139 2.109 1.00 0.00 O ATOM 1099 CB LEU A 71 -11.970 2.327 4.869 1.00 0.00 C ATOM 1100 CG LEU A 71 -12.954 2.144 6.025 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.215 1.776 7.302 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -13.779 3.406 6.229 1.00 0.00 C ATOM 0 H LEU A 71 -12.589 0.194 3.797 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.540 2.757 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.199 1.560 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.475 3.291 4.989 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.632 1.328 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.932 1.650 8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.670 0.844 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.513 2.570 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.474 3.257 7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.116 4.241 6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.339 3.626 5.320 1.00 0.00 H new ATOM 1114 N TYR A 72 -10.594 2.321 2.055 1.00 0.00 N ATOM 1115 CA TYR A 72 -9.646 2.905 1.114 1.00 0.00 C ATOM 1116 C TYR A 72 -10.366 3.453 -0.115 1.00 0.00 C ATOM 1117 O TYR A 72 -10.304 4.648 -0.403 1.00 0.00 O ATOM 1118 CB TYR A 72 -8.609 1.864 0.689 1.00 0.00 C ATOM 1119 CG TYR A 72 -7.678 2.346 -0.400 1.00 0.00 C ATOM 1120 CD1 TYR A 72 -6.913 3.493 -0.231 1.00 0.00 C ATOM 1121 CD2 TYR A 72 -7.562 1.652 -1.599 1.00 0.00 C ATOM 1122 CE1 TYR A 72 -6.062 3.937 -1.224 1.00 0.00 C ATOM 1123 CE2 TYR A 72 -6.712 2.088 -2.597 1.00 0.00 C ATOM 1124 CZ TYR A 72 -5.964 3.231 -2.405 1.00 0.00 C ATOM 1125 OH TYR A 72 -5.116 3.670 -3.396 1.00 0.00 O ATOM 0 H TYR A 72 -10.366 1.371 2.349 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.139 3.730 1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.019 1.576 1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.126 0.969 0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.985 4.047 0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.146 0.757 -1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.476 4.832 -1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.634 1.537 -3.523 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.164 3.060 -4.162 1.00 0.00 H new ATOM 1135 N ASP A 73 -11.049 2.570 -0.835 1.00 0.00 N ATOM 1136 CA ASP A 73 -11.783 2.963 -2.032 1.00 0.00 C ATOM 1137 C ASP A 73 -12.506 4.289 -1.815 1.00 0.00 C ATOM 1138 O ASP A 73 -12.477 5.170 -2.674 1.00 0.00 O ATOM 1139 CB ASP A 73 -12.788 1.877 -2.419 1.00 0.00 C ATOM 1140 CG ASP A 73 -13.445 2.148 -3.759 1.00 0.00 C ATOM 1141 OD1 ASP A 73 -14.094 3.205 -3.898 1.00 0.00 O ATOM 1142 OD2 ASP A 73 -13.311 1.301 -4.667 1.00 0.00 O ATOM 0 H ASP A 73 -11.110 1.577 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.066 3.089 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.281 0.913 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.556 1.805 -1.649 1.00 0.00 H new ATOM 1147 N ARG A 74 -13.153 4.422 -0.662 1.00 0.00 N ATOM 1148 CA ARG A 74 -13.885 5.640 -0.334 1.00 0.00 C ATOM 1149 C ARG A 74 -12.961 6.853 -0.357 1.00 0.00 C ATOM 1150 O ARG A 74 -13.190 7.806 -1.101 1.00 0.00 O ATOM 1151 CB ARG A 74 -14.540 5.511 1.043 1.00 0.00 C ATOM 1152 CG ARG A 74 -15.471 4.315 1.165 1.00 0.00 C ATOM 1153 CD ARG A 74 -16.279 4.368 2.452 1.00 0.00 C ATOM 1154 NE ARG A 74 -17.309 5.403 2.410 1.00 0.00 N ATOM 1155 CZ ARG A 74 -18.513 5.220 1.878 1.00 0.00 C ATOM 1156 NH1 ARG A 74 -18.836 4.049 1.347 1.00 0.00 N ATOM 1157 NH2 ARG A 74 -19.396 6.210 1.878 1.00 0.00 N ATOM 0 H ARG A 74 -13.185 3.702 0.060 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.661 5.782 -1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.761 5.433 1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.101 6.421 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.147 4.290 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.888 3.394 1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.746 3.399 2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.610 4.556 3.292 1.00 0.00 H new ATOM 0 HE ARG A 74 -17.092 6.316 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.160 3.285 1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.761 3.912 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.151 7.112 2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.320 6.069 1.470 1.00 0.00 H new ATOM 1171 N ALA A 75 -11.915 6.810 0.462 1.00 0.00 N ATOM 1172 CA ALA A 75 -10.956 7.905 0.535 1.00 0.00 C ATOM 1173 C ALA A 75 -10.371 8.214 -0.840 1.00 0.00 C ATOM 1174 O ALA A 75 -10.378 9.361 -1.284 1.00 0.00 O ATOM 1175 CB ALA A 75 -9.845 7.570 1.519 1.00 0.00 C ATOM 0 H ALA A 75 -11.710 6.028 1.084 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.482 8.793 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.136 8.397 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.272 7.405 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.329 6.667 1.192 1.00 0.00 H new ATOM 1181 N GLY A 76 -9.865 7.182 -1.508 1.00 0.00 N ATOM 1182 CA GLY A 76 -9.283 7.365 -2.825 1.00 0.00 C ATOM 1183 C GLY A 76 -10.074 8.337 -3.679 1.00 0.00 C ATOM 1184 O GLY A 76 -9.497 9.175 -4.373 1.00 0.00 O ATOM 0 H GLY A 76 -9.848 6.223 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.260 7.728 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.229 6.402 -3.332 1.00 0.00 H new ATOM 1188 N CYS A 77 -11.396 8.224 -3.629 1.00 0.00 N ATOM 1189 CA CYS A 77 -12.267 9.099 -4.407 1.00 0.00 C ATOM 1190 C CYS A 77 -12.640 10.344 -3.608 1.00 0.00 C ATOM 1191 O CYS A 77 -13.445 10.280 -2.679 1.00 0.00 O ATOM 1192 CB CYS A 77 -13.533 8.350 -4.826 1.00 0.00 C ATOM 1193 SG CYS A 77 -13.223 6.893 -5.852 1.00 0.00 S ATOM 0 H CYS A 77 -11.889 7.536 -3.059 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.725 9.411 -5.300 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -14.073 8.042 -3.931 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -14.183 9.034 -5.372 1.00 0.00 H new ATOM 0 HG CYS A 77 -14.353 6.326 -6.153 1.00 0.00 H new ATOM 1199 N ASP A 78 -12.048 11.475 -3.976 1.00 0.00 N ATOM 1200 CA ASP A 78 -12.316 12.735 -3.294 1.00 0.00 C ATOM 1201 C ASP A 78 -11.905 13.921 -4.162 1.00 0.00 C ATOM 1202 O ASP A 78 -11.177 13.763 -5.142 1.00 0.00 O ATOM 1203 CB ASP A 78 -11.575 12.785 -1.957 1.00 0.00 C ATOM 1204 CG ASP A 78 -10.112 13.148 -2.120 1.00 0.00 C ATOM 1205 OD1 ASP A 78 -9.301 12.237 -2.383 1.00 0.00 O ATOM 1206 OD2 ASP A 78 -9.779 14.344 -1.982 1.00 0.00 O ATOM 0 H ASP A 78 -11.379 11.545 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.388 12.797 -3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.057 13.513 -1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.653 11.816 -1.465 1.00 0.00 H new ATOM 1211 N SER A 79 -12.378 15.108 -3.796 1.00 0.00 N ATOM 1212 CA SER A 79 -12.064 16.320 -4.543 1.00 0.00 C ATOM 1213 C SER A 79 -10.676 16.839 -4.179 1.00 0.00 C ATOM 1214 O SER A 79 -9.791 16.927 -5.030 1.00 0.00 O ATOM 1215 CB SER A 79 -13.113 17.399 -4.270 1.00 0.00 C ATOM 1216 OG SER A 79 -14.397 16.983 -4.700 1.00 0.00 O ATOM 0 H SER A 79 -12.980 15.256 -2.986 1.00 0.00 H new ATOM 0 HA SER A 79 -12.074 16.075 -5.605 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.139 17.624 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.835 18.319 -4.784 1.00 0.00 H new ATOM 0 HG SER A 79 -15.050 17.690 -4.513 1.00 0.00 H new ATOM 1222 N TRP A 80 -10.495 17.181 -2.908 1.00 0.00 N ATOM 1223 CA TRP A 80 -9.215 17.691 -2.430 1.00 0.00 C ATOM 1224 C TRP A 80 -8.892 17.138 -1.046 1.00 0.00 C ATOM 1225 O TRP A 80 -9.475 17.559 -0.047 1.00 0.00 O ATOM 1226 CB TRP A 80 -9.236 19.220 -2.389 1.00 0.00 C ATOM 1227 CG TRP A 80 -8.806 19.855 -3.677 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -9.611 20.449 -4.607 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -7.469 19.955 -4.178 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -8.854 20.913 -5.656 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -7.537 20.624 -5.417 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -6.220 19.548 -3.701 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -6.405 20.891 -6.181 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -5.097 19.813 -4.461 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -5.195 20.481 -5.690 1.00 0.00 C ATOM 0 H TRP A 80 -11.217 17.114 -2.191 1.00 0.00 H new ATOM 0 HA TRP A 80 -8.439 17.363 -3.122 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -10.244 19.556 -2.145 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -8.583 19.564 -1.587 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -10.684 20.541 -4.529 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -9.215 21.395 -6.479 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.134 19.035 -2.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -6.479 21.404 -7.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -4.127 19.500 -4.102 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -4.299 20.676 -6.260 1.00 0.00 H new ATOM 1246 N ARG A 81 -7.959 16.193 -0.995 1.00 0.00 N ATOM 1247 CA ARG A 81 -7.559 15.582 0.267 1.00 0.00 C ATOM 1248 C ARG A 81 -6.125 15.963 0.625 1.00 0.00 C ATOM 1249 O ARG A 81 -5.187 15.641 -0.104 1.00 0.00 O ATOM 1250 CB ARG A 81 -7.688 14.060 0.185 1.00 0.00 C ATOM 1251 CG ARG A 81 -6.673 13.316 1.036 1.00 0.00 C ATOM 1252 CD ARG A 81 -6.798 11.810 0.863 1.00 0.00 C ATOM 1253 NE ARG A 81 -5.607 11.104 1.327 1.00 0.00 N ATOM 1254 CZ ARG A 81 -5.397 10.772 2.596 1.00 0.00 C ATOM 1255 NH1 ARG A 81 -6.295 11.079 3.522 1.00 0.00 N ATOM 1256 NH2 ARG A 81 -4.288 10.131 2.941 1.00 0.00 N ATOM 0 H ARG A 81 -7.466 15.834 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.222 15.954 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.692 13.772 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.575 13.750 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.666 13.632 0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.816 13.576 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.668 11.453 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.969 11.579 -0.188 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.897 10.852 0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.149 11.571 3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.131 10.823 4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.595 9.892 2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.128 9.877 3.916 1.00 0.00 H new ATOM 1270 N ALA A 82 -5.964 16.650 1.751 1.00 0.00 N ATOM 1271 CA ALA A 82 -4.646 17.073 2.206 1.00 0.00 C ATOM 1272 C ALA A 82 -4.269 16.384 3.514 1.00 0.00 C ATOM 1273 O ALA A 82 -5.107 15.756 4.160 1.00 0.00 O ATOM 1274 CB ALA A 82 -4.605 18.585 2.373 1.00 0.00 C ATOM 0 H ALA A 82 -6.731 16.925 2.365 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.917 16.782 1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.614 18.887 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.821 19.063 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.350 18.890 3.108 1.00 0.00 H new ATOM 1280 N GLY A 83 -3.002 16.507 3.899 1.00 0.00 N ATOM 1281 CA GLY A 83 -2.538 15.890 5.128 1.00 0.00 C ATOM 1282 C GLY A 83 -1.029 15.933 5.263 1.00 0.00 C ATOM 1283 O GLY A 83 -0.374 16.816 4.711 1.00 0.00 O ATOM 0 H GLY A 83 -2.289 17.022 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.991 16.398 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.873 14.853 5.160 1.00 0.00 H new ATOM 1287 N GLY A 84 -0.475 14.976 6.002 1.00 0.00 N ATOM 1288 CA GLY A 84 0.963 14.927 6.196 1.00 0.00 C ATOM 1289 C GLY A 84 1.391 13.764 7.069 1.00 0.00 C ATOM 1290 O GLY A 84 1.737 12.696 6.566 1.00 0.00 O ATOM 0 H GLY A 84 -0.996 14.234 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.455 14.850 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.297 15.860 6.650 1.00 0.00 H new ATOM 1294 N GLY A 85 1.368 13.972 8.382 1.00 0.00 N ATOM 1295 CA GLY A 85 1.761 12.924 9.306 1.00 0.00 C ATOM 1296 C GLY A 85 0.627 12.499 10.218 1.00 0.00 C ATOM 1297 O GLY A 85 -0.270 13.289 10.512 1.00 0.00 O ATOM 0 H GLY A 85 1.084 14.847 8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.113 12.060 8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.598 13.272 9.911 1.00 0.00 H new ATOM 1301 N ALA A 86 0.665 11.248 10.664 1.00 0.00 N ATOM 1302 CA ALA A 86 -0.367 10.721 11.548 1.00 0.00 C ATOM 1303 C ALA A 86 0.235 9.811 12.614 1.00 0.00 C ATOM 1304 O ALA A 86 1.239 9.141 12.376 1.00 0.00 O ATOM 1305 CB ALA A 86 -1.417 9.970 10.742 1.00 0.00 C ATOM 0 H ALA A 86 1.399 10.581 10.428 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.843 11.562 12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.182 9.581 11.414 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.876 10.647 10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.946 9.143 10.212 1.00 0.00 H new ATOM 1311 N SER A 87 -0.385 9.794 13.789 1.00 0.00 N ATOM 1312 CA SER A 87 0.092 8.970 14.893 1.00 0.00 C ATOM 1313 C SER A 87 -0.798 7.746 15.082 1.00 0.00 C ATOM 1314 O SER A 87 -1.979 7.763 14.737 1.00 0.00 O ATOM 1315 CB SER A 87 0.136 9.788 16.186 1.00 0.00 C ATOM 1316 OG SER A 87 1.121 9.287 17.073 1.00 0.00 O ATOM 0 H SER A 87 -1.219 10.342 14.001 1.00 0.00 H new ATOM 0 HA SER A 87 1.099 8.631 14.652 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.349 10.831 15.953 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.840 9.762 16.670 1.00 0.00 H new ATOM 0 HG SER A 87 1.130 9.827 17.890 1.00 0.00 H new ATOM 1322 N GLY A 88 -0.221 6.682 15.634 1.00 0.00 N ATOM 1323 CA GLY A 88 -0.976 5.463 15.860 1.00 0.00 C ATOM 1324 C GLY A 88 -1.639 5.436 17.223 1.00 0.00 C ATOM 1325 O GLY A 88 -1.376 6.277 18.082 1.00 0.00 O ATOM 0 H GLY A 88 0.755 6.643 15.928 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.738 5.362 15.087 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.311 4.605 15.766 1.00 0.00 H new ATOM 1329 N PRO A 89 -2.524 4.451 17.434 1.00 0.00 N ATOM 1330 CA PRO A 89 -3.247 4.294 18.700 1.00 0.00 C ATOM 1331 C PRO A 89 -2.334 3.851 19.838 1.00 0.00 C ATOM 1332 O PRO A 89 -1.323 3.186 19.613 1.00 0.00 O ATOM 1333 CB PRO A 89 -4.278 3.207 18.388 1.00 0.00 C ATOM 1334 CG PRO A 89 -3.680 2.427 17.269 1.00 0.00 C ATOM 1335 CD PRO A 89 -2.888 3.413 16.455 1.00 0.00 C ATOM 0 HA PRO A 89 -3.686 5.233 19.037 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.462 2.575 19.257 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.236 3.641 18.101 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.040 1.630 17.647 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.454 1.955 16.665 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.005 2.951 16.012 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.478 3.823 15.635 1.00 0.00 H new ATOM 1343 N SER A 90 -2.696 4.224 21.061 1.00 0.00 N ATOM 1344 CA SER A 90 -1.907 3.868 22.235 1.00 0.00 C ATOM 1345 C SER A 90 -2.198 2.435 22.670 1.00 0.00 C ATOM 1346 O SER A 90 -1.295 1.602 22.742 1.00 0.00 O ATOM 1347 CB SER A 90 -2.201 4.832 23.386 1.00 0.00 C ATOM 1348 OG SER A 90 -1.170 4.797 24.357 1.00 0.00 O ATOM 0 H SER A 90 -3.531 4.773 21.265 1.00 0.00 H new ATOM 0 HA SER A 90 -0.852 3.942 21.969 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.305 5.845 22.998 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.151 4.569 23.851 1.00 0.00 H new ATOM 0 HG SER A 90 -1.381 5.423 25.081 1.00 0.00 H new ATOM 1354 N SER A 91 -3.465 2.156 22.959 1.00 0.00 N ATOM 1355 CA SER A 91 -3.875 0.826 23.391 1.00 0.00 C ATOM 1356 C SER A 91 -3.170 0.433 24.686 1.00 0.00 C ATOM 1357 O SER A 91 -2.722 -0.702 24.843 1.00 0.00 O ATOM 1358 CB SER A 91 -3.574 -0.204 22.300 1.00 0.00 C ATOM 1359 OG SER A 91 -4.174 -1.452 22.597 1.00 0.00 O ATOM 0 H SER A 91 -4.225 2.834 22.902 1.00 0.00 H new ATOM 0 HA SER A 91 -4.949 0.847 23.575 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.941 0.160 21.341 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.496 -0.330 22.202 1.00 0.00 H new ATOM 0 HG SER A 91 -3.938 -1.719 23.510 1.00 0.00 H new ATOM 1365 N GLY A 92 -3.075 1.382 25.612 1.00 0.00 N ATOM 1366 CA GLY A 92 -2.424 1.118 26.882 1.00 0.00 C ATOM 1367 C GLY A 92 -1.187 0.255 26.729 1.00 0.00 C ATOM 1368 O GLY A 92 -0.605 -0.188 27.720 1.00 0.00 O ATOM 0 H GLY A 92 -3.437 2.329 25.505 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.149 2.063 27.349 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.128 0.624 27.552 1.00 0.00 H new TER 1372 GLY A 92