USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 774 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 65 LYS NZ :NH3+ -162:sc= 1.2 (180deg=0.379) USER MOD Set 1.2: A 83 THR OG1 : rot -129:sc= 0.0963 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 19 CYS SG : rot 56:sc= -4.78! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : +bothHN:sc= -1.32 K(o=-1.3,f=-9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0804) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc=-0.00721 (180deg=-0.0717) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.516 F(o=-2.1!,f=-0.52) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 1.27 (180deg=0.912) USER MOD Single : A 56 SER OG : rot -117:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.075) USER MOD Single : A 70 ASN :FLIP amide:sc= -3.14! C(o=-5.3!,f=-3.1!) USER MOD Single : A 72 SER OG : rot 150:sc= -1.61! USER MOD Single : A 79 SER OG : rot 180:sc= -0.0091 USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= -0.0379 (180deg=-0.217) USER MOD Single : A 88 LYS NZ :NH3+ 136:sc= -0.0528 (180deg=-0.344) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -118:sc= 1.12 (180deg=-0.00229) USER MOD Single : A 106 MET CE :methyl 145:sc= -1.37 (180deg=-4.4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -12.996 8.205 5.950 1.00 0.00 N ATOM 61 CA GLY A 5 -11.697 8.762 6.267 1.00 0.00 C ATOM 62 C GLY A 5 -10.619 7.701 6.342 1.00 0.00 C ATOM 63 O GLY A 5 -9.529 7.951 6.856 1.00 0.00 O ATOM 0 HA2 GLY A 5 -11.426 9.499 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.753 9.288 7.220 1.00 0.00 H new ATOM 67 N ILE A 6 -10.932 6.513 5.836 1.00 0.00 N ATOM 68 CA ILE A 6 -9.972 5.418 5.790 1.00 0.00 C ATOM 69 C ILE A 6 -8.787 5.815 4.921 1.00 0.00 C ATOM 70 O ILE A 6 -7.626 5.653 5.301 1.00 0.00 O ATOM 71 CB ILE A 6 -10.630 4.131 5.235 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.697 3.613 6.206 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.592 3.051 4.956 1.00 0.00 C ATOM 74 CD1 ILE A 6 -11.152 3.203 7.559 1.00 0.00 C ATOM 0 H ILE A 6 -11.848 6.284 5.450 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.627 5.213 6.804 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.110 4.383 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.450 4.388 6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.200 2.758 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.088 2.161 4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.875 3.417 4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.070 2.801 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.969 2.848 8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.420 2.405 7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.674 4.060 8.034 1.00 0.00 H new ATOM 86 N LEU A 7 -9.098 6.377 3.767 1.00 0.00 N ATOM 87 CA LEU A 7 -8.085 6.859 2.854 1.00 0.00 C ATOM 88 C LEU A 7 -8.440 8.261 2.388 1.00 0.00 C ATOM 89 O LEU A 7 -9.558 8.513 1.938 1.00 0.00 O ATOM 90 CB LEU A 7 -7.923 5.924 1.643 1.00 0.00 C ATOM 91 CG LEU A 7 -9.172 5.725 0.769 1.00 0.00 C ATOM 92 CD1 LEU A 7 -8.778 5.224 -0.610 1.00 0.00 C ATOM 93 CD2 LEU A 7 -10.138 4.741 1.413 1.00 0.00 C ATOM 0 H LEU A 7 -10.055 6.510 3.440 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.133 6.880 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.123 6.313 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.598 4.948 2.004 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.670 6.690 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.673 5.088 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.122 5.952 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.255 4.272 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.013 4.619 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.644 3.778 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.450 5.121 2.386 1.00 0.00 H new ATOM 105 N ASN A 8 -7.502 9.181 2.533 1.00 0.00 N ATOM 106 CA ASN A 8 -7.685 10.525 2.017 1.00 0.00 C ATOM 107 C ASN A 8 -7.493 10.509 0.513 1.00 0.00 C ATOM 108 O ASN A 8 -6.369 10.419 0.023 1.00 0.00 O ATOM 109 CB ASN A 8 -6.702 11.494 2.667 1.00 0.00 C ATOM 110 CG ASN A 8 -7.147 11.926 4.047 1.00 0.00 C ATOM 111 OD1 ASN A 8 -7.748 12.988 4.217 1.00 0.00 O ATOM 112 ND2 ASN A 8 -6.888 11.090 5.033 1.00 0.00 N ATOM 0 H ASN A 8 -6.610 9.022 3.002 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.694 10.864 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.722 11.022 2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.589 12.373 2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.188 11.312 5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.387 10.221 4.847 1.00 0.00 H new ATOM 119 N ASP A 9 -8.602 10.604 -0.209 1.00 0.00 N ATOM 120 CA ASP A 9 -8.607 10.464 -1.665 1.00 0.00 C ATOM 121 C ASP A 9 -7.637 11.432 -2.323 1.00 0.00 C ATOM 122 O ASP A 9 -6.995 11.102 -3.318 1.00 0.00 O ATOM 123 CB ASP A 9 -10.017 10.681 -2.217 1.00 0.00 C ATOM 124 CG ASP A 9 -10.570 12.063 -1.924 1.00 0.00 C ATOM 125 OD1 ASP A 9 -10.803 12.378 -0.739 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.782 12.836 -2.883 1.00 0.00 O ATOM 0 H ASP A 9 -9.522 10.780 0.194 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.282 9.450 -1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.006 10.523 -3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.685 9.932 -1.792 1.00 0.00 H new ATOM 131 N ALA A 10 -7.533 12.618 -1.755 1.00 0.00 N ATOM 132 CA ALA A 10 -6.604 13.632 -2.236 1.00 0.00 C ATOM 133 C ALA A 10 -5.154 13.151 -2.148 1.00 0.00 C ATOM 134 O ALA A 10 -4.369 13.356 -3.074 1.00 0.00 O ATOM 135 CB ALA A 10 -6.785 14.906 -1.433 1.00 0.00 C ATOM 0 H ALA A 10 -8.087 12.909 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.822 13.827 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.090 15.665 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.807 15.266 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.588 14.704 -0.380 1.00 0.00 H new ATOM 141 N ASP A 11 -4.810 12.499 -1.043 1.00 0.00 N ATOM 142 CA ASP A 11 -3.451 12.002 -0.836 1.00 0.00 C ATOM 143 C ASP A 11 -3.164 10.825 -1.744 1.00 0.00 C ATOM 144 O ASP A 11 -2.078 10.714 -2.315 1.00 0.00 O ATOM 145 CB ASP A 11 -3.230 11.601 0.622 1.00 0.00 C ATOM 146 CG ASP A 11 -3.150 12.797 1.544 1.00 0.00 C ATOM 147 OD1 ASP A 11 -2.043 13.351 1.718 1.00 0.00 O ATOM 148 OD2 ASP A 11 -4.190 13.197 2.097 1.00 0.00 O ATOM 0 H ASP A 11 -5.452 12.301 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.763 12.811 -1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.044 10.951 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.310 11.023 0.701 1.00 0.00 H new ATOM 153 N ILE A 12 -4.146 9.952 -1.871 1.00 0.00 N ATOM 154 CA ILE A 12 -4.062 8.827 -2.788 1.00 0.00 C ATOM 155 C ILE A 12 -3.831 9.331 -4.211 1.00 0.00 C ATOM 156 O ILE A 12 -2.911 8.890 -4.898 1.00 0.00 O ATOM 157 CB ILE A 12 -5.350 7.968 -2.717 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.300 6.988 -1.539 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.585 7.204 -4.013 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.292 7.640 -0.176 1.00 0.00 C ATOM 0 H ILE A 12 -5.019 10.000 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.220 8.199 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.182 8.656 -2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.159 6.320 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.408 6.369 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.497 6.613 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.687 7.909 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.740 6.542 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.256 6.871 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.418 8.285 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.197 8.235 -0.052 1.00 0.00 H new ATOM 172 N THR A 13 -4.653 10.288 -4.621 1.00 0.00 N ATOM 173 CA THR A 13 -4.542 10.904 -5.936 1.00 0.00 C ATOM 174 C THR A 13 -3.178 11.575 -6.114 1.00 0.00 C ATOM 175 O THR A 13 -2.591 11.526 -7.193 1.00 0.00 O ATOM 176 CB THR A 13 -5.667 11.940 -6.130 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.941 11.301 -5.974 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.597 12.604 -7.496 1.00 0.00 C ATOM 0 H THR A 13 -5.414 10.658 -4.052 1.00 0.00 H new ATOM 0 HA THR A 13 -4.639 10.121 -6.688 1.00 0.00 H new ATOM 0 HB THR A 13 -5.539 12.715 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.168 11.251 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.407 13.327 -7.591 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.640 13.115 -7.603 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.693 11.847 -8.274 1.00 0.00 H new ATOM 186 N ALA A 14 -2.671 12.182 -5.046 1.00 0.00 N ATOM 187 CA ALA A 14 -1.372 12.842 -5.084 1.00 0.00 C ATOM 188 C ALA A 14 -0.250 11.837 -5.336 1.00 0.00 C ATOM 189 O ALA A 14 0.654 12.083 -6.138 1.00 0.00 O ATOM 190 CB ALA A 14 -1.128 13.596 -3.788 1.00 0.00 C ATOM 0 H ALA A 14 -3.141 12.230 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.377 13.553 -5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.154 14.085 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.906 14.348 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.148 12.898 -2.951 1.00 0.00 H new ATOM 196 N ALA A 15 -0.315 10.702 -4.653 1.00 0.00 N ATOM 197 CA ALA A 15 0.676 9.652 -4.832 1.00 0.00 C ATOM 198 C ALA A 15 0.571 9.050 -6.228 1.00 0.00 C ATOM 199 O ALA A 15 1.580 8.764 -6.869 1.00 0.00 O ATOM 200 CB ALA A 15 0.511 8.571 -3.774 1.00 0.00 C ATOM 0 H ALA A 15 -1.042 10.486 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 15 1.666 10.094 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.262 7.796 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.637 9.009 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.484 8.133 -3.853 1.00 0.00 H new ATOM 206 N LEU A 16 -0.659 8.887 -6.697 1.00 0.00 N ATOM 207 CA LEU A 16 -0.913 8.348 -8.025 1.00 0.00 C ATOM 208 C LEU A 16 -0.455 9.321 -9.105 1.00 0.00 C ATOM 209 O LEU A 16 -0.047 8.912 -10.191 1.00 0.00 O ATOM 210 CB LEU A 16 -2.400 8.026 -8.181 1.00 0.00 C ATOM 211 CG LEU A 16 -2.910 6.928 -7.251 1.00 0.00 C ATOM 212 CD1 LEU A 16 -4.422 6.867 -7.285 1.00 0.00 C ATOM 213 CD2 LEU A 16 -2.316 5.583 -7.637 1.00 0.00 C ATOM 0 H LEU A 16 -1.502 9.123 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.340 7.428 -8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.976 8.934 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.588 7.728 -9.212 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.595 7.164 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.769 6.079 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.832 7.824 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.755 6.654 -8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.691 4.813 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.601 5.340 -8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.229 5.631 -7.565 1.00 0.00 H new ATOM 225 N ALA A 17 -0.516 10.608 -8.795 1.00 0.00 N ATOM 226 CA ALA A 17 -0.013 11.637 -9.694 1.00 0.00 C ATOM 227 C ALA A 17 1.508 11.584 -9.759 1.00 0.00 C ATOM 228 O ALA A 17 2.114 11.927 -10.776 1.00 0.00 O ATOM 229 CB ALA A 17 -0.475 13.010 -9.235 1.00 0.00 C ATOM 0 H ALA A 17 -0.910 10.965 -7.925 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.410 11.453 -10.692 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.092 13.770 -9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.564 13.044 -9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.101 13.202 -8.229 1.00 0.00 H new ATOM 235 N ALA A 18 2.120 11.141 -8.670 1.00 0.00 N ATOM 236 CA ALA A 18 3.566 11.037 -8.600 1.00 0.00 C ATOM 237 C ALA A 18 4.046 9.794 -9.335 1.00 0.00 C ATOM 238 O ALA A 18 5.010 9.850 -10.098 1.00 0.00 O ATOM 239 CB ALA A 18 4.030 11.016 -7.152 1.00 0.00 C ATOM 0 H ALA A 18 1.634 10.848 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 18 3.999 11.912 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.117 10.938 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.717 11.935 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.589 10.160 -6.641 1.00 0.00 H new ATOM 245 N CYS A 19 3.345 8.682 -9.134 1.00 0.00 N ATOM 246 CA CYS A 19 3.721 7.421 -9.769 1.00 0.00 C ATOM 247 C CYS A 19 3.231 7.369 -11.216 1.00 0.00 C ATOM 248 O CYS A 19 3.366 6.355 -11.897 1.00 0.00 O ATOM 249 CB CYS A 19 3.181 6.228 -8.975 1.00 0.00 C ATOM 250 SG CYS A 19 1.382 6.193 -8.808 1.00 0.00 S ATOM 0 H CYS A 19 2.518 8.627 -8.540 1.00 0.00 H new ATOM 0 HA CYS A 19 4.809 7.362 -9.777 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.506 5.308 -9.460 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.626 6.239 -7.980 1.00 0.00 H new ATOM 0 HG CYS A 19 0.836 6.237 -9.987 1.00 0.00 H new ATOM 256 N LYS A 20 2.644 8.467 -11.676 1.00 0.00 N ATOM 257 CA LYS A 20 2.294 8.612 -13.077 1.00 0.00 C ATOM 258 C LYS A 20 3.535 9.024 -13.865 1.00 0.00 C ATOM 259 O LYS A 20 3.603 8.867 -15.085 1.00 0.00 O ATOM 260 CB LYS A 20 1.177 9.653 -13.234 1.00 0.00 C ATOM 261 CG LYS A 20 0.806 9.953 -14.678 1.00 0.00 C ATOM 262 CD LYS A 20 0.290 8.718 -15.403 1.00 0.00 C ATOM 263 CE LYS A 20 0.062 8.991 -16.882 1.00 0.00 C ATOM 264 NZ LYS A 20 -0.425 7.785 -17.605 1.00 0.00 N ATOM 0 H LYS A 20 2.401 9.270 -11.095 1.00 0.00 H new ATOM 0 HA LYS A 20 1.928 7.662 -13.466 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.290 9.300 -12.708 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.487 10.579 -12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.044 10.732 -14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.678 10.343 -15.203 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.005 7.903 -15.289 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.643 8.390 -14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.663 9.798 -16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.993 9.333 -17.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.567 8.016 -18.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.277 7.023 -17.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.326 7.472 -17.191 1.00 0.00 H new ATOM 278 N ALA A 21 4.526 9.531 -13.144 1.00 0.00 N ATOM 279 CA ALA A 21 5.765 9.979 -13.754 1.00 0.00 C ATOM 280 C ALA A 21 6.733 8.819 -13.922 1.00 0.00 C ATOM 281 O ALA A 21 7.272 8.293 -12.944 1.00 0.00 O ATOM 282 CB ALA A 21 6.395 11.078 -12.919 1.00 0.00 C ATOM 0 H ALA A 21 4.493 9.642 -12.131 1.00 0.00 H new ATOM 0 HA ALA A 21 5.537 10.378 -14.742 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.323 11.404 -13.388 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.708 11.921 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.607 10.699 -11.919 1.00 0.00 H new ATOM 288 N GLU A 22 6.943 8.423 -15.167 1.00 0.00 N ATOM 289 CA GLU A 22 7.865 7.350 -15.484 1.00 0.00 C ATOM 290 C GLU A 22 9.287 7.810 -15.187 1.00 0.00 C ATOM 291 O GLU A 22 9.803 8.728 -15.826 1.00 0.00 O ATOM 292 CB GLU A 22 7.697 6.943 -16.954 1.00 0.00 C ATOM 293 CG GLU A 22 8.305 5.593 -17.316 1.00 0.00 C ATOM 294 CD GLU A 22 9.803 5.646 -17.532 1.00 0.00 C ATOM 295 OE1 GLU A 22 10.232 5.912 -18.676 1.00 0.00 O ATOM 296 OE2 GLU A 22 10.557 5.409 -16.573 1.00 0.00 O ATOM 0 H GLU A 22 6.482 8.834 -15.979 1.00 0.00 H new ATOM 0 HA GLU A 22 7.653 6.474 -14.870 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.633 6.922 -17.192 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.149 7.710 -17.583 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.085 4.879 -16.522 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.828 5.219 -18.222 1.00 0.00 H new ATOM 303 N GLY A 23 9.899 7.187 -14.193 1.00 0.00 N ATOM 304 CA GLY A 23 11.224 7.586 -13.768 1.00 0.00 C ATOM 305 C GLY A 23 11.193 8.289 -12.428 1.00 0.00 C ATOM 306 O GLY A 23 12.217 8.764 -11.940 1.00 0.00 O ATOM 0 H GLY A 23 9.499 6.408 -13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.866 6.707 -13.703 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.663 8.247 -14.516 1.00 0.00 H new ATOM 310 N SER A 24 10.009 8.370 -11.837 1.00 0.00 N ATOM 311 CA SER A 24 9.844 8.984 -10.530 1.00 0.00 C ATOM 312 C SER A 24 8.821 8.216 -9.700 1.00 0.00 C ATOM 313 O SER A 24 7.824 8.773 -9.242 1.00 0.00 O ATOM 314 CB SER A 24 9.415 10.442 -10.689 1.00 0.00 C ATOM 315 OG SER A 24 10.405 11.184 -11.383 1.00 0.00 O ATOM 0 H SER A 24 9.145 8.015 -12.246 1.00 0.00 H new ATOM 0 HA SER A 24 10.800 8.952 -10.007 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.470 10.491 -11.231 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.243 10.885 -9.708 1.00 0.00 H new ATOM 0 HG SER A 24 10.111 12.114 -11.476 1.00 0.00 H new ATOM 321 N PHE A 25 9.076 6.929 -9.519 1.00 0.00 N ATOM 322 CA PHE A 25 8.189 6.076 -8.741 1.00 0.00 C ATOM 323 C PHE A 25 8.690 5.956 -7.312 1.00 0.00 C ATOM 324 O PHE A 25 9.869 5.678 -7.084 1.00 0.00 O ATOM 325 CB PHE A 25 8.110 4.678 -9.353 1.00 0.00 C ATOM 326 CG PHE A 25 7.697 4.658 -10.798 1.00 0.00 C ATOM 327 CD1 PHE A 25 6.408 5.002 -11.171 1.00 0.00 C ATOM 328 CD2 PHE A 25 8.598 4.284 -11.783 1.00 0.00 C ATOM 329 CE1 PHE A 25 6.027 4.972 -12.499 1.00 0.00 C ATOM 330 CE2 PHE A 25 8.221 4.253 -13.111 1.00 0.00 C ATOM 331 CZ PHE A 25 6.934 4.599 -13.469 1.00 0.00 C ATOM 0 H PHE A 25 9.892 6.451 -9.901 1.00 0.00 H new ATOM 0 HA PHE A 25 7.199 6.531 -8.748 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.084 4.197 -9.259 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.403 4.081 -8.777 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.694 5.297 -10.416 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.607 4.014 -11.508 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.019 5.241 -12.778 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.932 3.958 -13.868 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.637 4.578 -14.507 1.00 0.00 H new ATOM 341 N ASP A 26 7.808 6.176 -6.352 1.00 0.00 N ATOM 342 CA ASP A 26 8.152 5.957 -4.956 1.00 0.00 C ATOM 343 C ASP A 26 7.004 5.259 -4.249 1.00 0.00 C ATOM 344 O ASP A 26 6.070 5.896 -3.755 1.00 0.00 O ATOM 345 CB ASP A 26 8.494 7.264 -4.249 1.00 0.00 C ATOM 346 CG ASP A 26 9.313 7.026 -2.997 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.794 6.415 -2.042 1.00 0.00 O ATOM 348 OD2 ASP A 26 10.488 7.447 -2.965 1.00 0.00 O ATOM 0 H ASP A 26 6.855 6.504 -6.511 1.00 0.00 H new ATOM 0 HA ASP A 26 9.039 5.324 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.048 7.911 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.575 7.788 -3.988 1.00 0.00 H new ATOM 353 N HIS A 27 7.071 3.942 -4.235 1.00 0.00 N ATOM 354 CA HIS A 27 6.022 3.112 -3.658 1.00 0.00 C ATOM 355 C HIS A 27 5.970 3.249 -2.133 1.00 0.00 C ATOM 356 O HIS A 27 4.914 3.073 -1.511 1.00 0.00 O ATOM 357 CB HIS A 27 6.265 1.663 -4.081 1.00 0.00 C ATOM 358 CG HIS A 27 5.055 0.783 -4.069 1.00 0.00 C ATOM 359 ND1 HIS A 27 4.360 0.447 -5.210 1.00 0.00 N ATOM 360 CD2 HIS A 27 4.450 0.126 -3.060 1.00 0.00 C ATOM 361 CE1 HIS A 27 3.381 -0.377 -4.901 1.00 0.00 C ATOM 362 NE2 HIS A 27 3.411 -0.595 -3.599 1.00 0.00 N ATOM 0 H HIS A 27 7.853 3.414 -4.622 1.00 0.00 H new ATOM 0 HA HIS A 27 5.052 3.443 -4.028 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.686 1.661 -5.086 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.016 1.230 -3.420 1.00 0.00 H new ATOM 0 HD1 HIS A 27 4.571 0.785 -6.149 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.730 0.160 -2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.672 -0.803 -5.596 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.771 -1.197 -3.081 1.00 0.00 H new ATOM 371 N LYS A 28 7.104 3.589 -1.537 1.00 0.00 N ATOM 372 CA LYS A 28 7.166 3.816 -0.102 1.00 0.00 C ATOM 373 C LYS A 28 6.397 5.081 0.252 1.00 0.00 C ATOM 374 O LYS A 28 5.596 5.095 1.189 1.00 0.00 O ATOM 375 CB LYS A 28 8.613 3.965 0.345 1.00 0.00 C ATOM 376 CG LYS A 28 8.787 4.002 1.856 1.00 0.00 C ATOM 377 CD LYS A 28 10.250 4.089 2.264 1.00 0.00 C ATOM 378 CE LYS A 28 10.871 5.418 1.864 1.00 0.00 C ATOM 379 NZ LYS A 28 12.285 5.528 2.304 1.00 0.00 N ATOM 0 H LYS A 28 7.991 3.713 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 28 6.720 2.961 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.195 3.137 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.023 4.881 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.247 4.858 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.342 3.108 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.335 3.959 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.806 3.274 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.819 5.531 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.292 6.233 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.669 6.449 2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.334 5.446 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.844 4.766 1.870 1.00 0.00 H new ATOM 393 N ALA A 29 6.653 6.143 -0.514 1.00 0.00 N ATOM 394 CA ALA A 29 5.950 7.408 -0.348 1.00 0.00 C ATOM 395 C ALA A 29 4.458 7.210 -0.535 1.00 0.00 C ATOM 396 O ALA A 29 3.653 7.907 0.067 1.00 0.00 O ATOM 397 CB ALA A 29 6.465 8.448 -1.329 1.00 0.00 C ATOM 0 H ALA A 29 7.349 6.147 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 29 6.136 7.768 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.924 9.383 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.529 8.614 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.312 8.094 -2.348 1.00 0.00 H new ATOM 403 N PHE A 30 4.105 6.243 -1.370 1.00 0.00 N ATOM 404 CA PHE A 30 2.713 5.895 -1.592 1.00 0.00 C ATOM 405 C PHE A 30 2.044 5.525 -0.270 1.00 0.00 C ATOM 406 O PHE A 30 1.071 6.156 0.132 1.00 0.00 O ATOM 407 CB PHE A 30 2.615 4.735 -2.596 1.00 0.00 C ATOM 408 CG PHE A 30 1.207 4.339 -2.949 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.514 5.009 -3.944 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.581 3.290 -2.293 1.00 0.00 C ATOM 411 CE1 PHE A 30 -0.777 4.643 -4.277 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.709 2.920 -2.620 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.388 3.598 -3.613 1.00 0.00 C ATOM 0 H PHE A 30 4.769 5.684 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 30 2.193 6.757 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.141 5.015 -3.509 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.131 3.868 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.988 5.827 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.109 2.756 -1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.306 5.173 -5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.186 2.102 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.397 3.311 -3.870 1.00 0.00 H new ATOM 423 N PHE A 31 2.596 4.532 0.428 1.00 0.00 N ATOM 424 CA PHE A 31 1.985 4.044 1.673 1.00 0.00 C ATOM 425 C PHE A 31 1.967 5.099 2.773 1.00 0.00 C ATOM 426 O PHE A 31 0.986 5.209 3.512 1.00 0.00 O ATOM 427 CB PHE A 31 2.688 2.784 2.170 1.00 0.00 C ATOM 428 CG PHE A 31 2.504 1.611 1.257 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.238 1.249 0.824 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.591 0.873 0.831 1.00 0.00 C ATOM 431 CE1 PHE A 31 1.062 0.171 -0.019 1.00 0.00 C ATOM 432 CE2 PHE A 31 3.421 -0.207 -0.009 1.00 0.00 C ATOM 433 CZ PHE A 31 2.155 -0.559 -0.436 1.00 0.00 C ATOM 0 H PHE A 31 3.455 4.052 0.160 1.00 0.00 H new ATOM 0 HA PHE A 31 0.949 3.806 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.753 2.988 2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.309 2.530 3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.379 1.817 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.584 1.144 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.071 -0.100 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.278 -0.778 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.022 -1.404 -1.095 1.00 0.00 H new ATOM 443 N THR A 32 3.030 5.882 2.880 1.00 0.00 N ATOM 444 CA THR A 32 3.104 6.901 3.919 1.00 0.00 C ATOM 445 C THR A 32 2.221 8.106 3.583 1.00 0.00 C ATOM 446 O THR A 32 1.810 8.852 4.471 1.00 0.00 O ATOM 447 CB THR A 32 4.564 7.346 4.187 1.00 0.00 C ATOM 448 OG1 THR A 32 4.600 8.414 5.140 1.00 0.00 O ATOM 449 CG2 THR A 32 5.266 7.774 2.909 1.00 0.00 C ATOM 0 H THR A 32 3.845 5.834 2.269 1.00 0.00 H new ATOM 0 HA THR A 32 2.724 6.449 4.835 1.00 0.00 H new ATOM 0 HB THR A 32 5.094 6.484 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.530 8.681 5.298 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.287 8.079 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.286 6.940 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.730 8.611 2.462 1.00 0.00 H new ATOM 457 N LYS A 33 1.910 8.277 2.308 1.00 0.00 N ATOM 458 CA LYS A 33 1.062 9.379 1.878 1.00 0.00 C ATOM 459 C LYS A 33 -0.415 9.002 1.963 1.00 0.00 C ATOM 460 O LYS A 33 -1.233 9.783 2.449 1.00 0.00 O ATOM 461 CB LYS A 33 1.433 9.797 0.458 1.00 0.00 C ATOM 462 CG LYS A 33 0.661 11.001 -0.061 1.00 0.00 C ATOM 463 CD LYS A 33 1.268 11.541 -1.347 1.00 0.00 C ATOM 464 CE LYS A 33 2.632 12.168 -1.097 1.00 0.00 C ATOM 465 NZ LYS A 33 3.225 12.733 -2.335 1.00 0.00 N ATOM 0 H LYS A 33 2.231 7.669 1.554 1.00 0.00 H new ATOM 0 HA LYS A 33 1.226 10.223 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.499 10.021 0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.263 8.955 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.377 10.720 -0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.655 11.785 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.365 10.733 -2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.599 12.283 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.536 12.956 -0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.305 11.417 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.153 13.149 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.341 11.978 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.597 13.469 -2.716 1.00 0.00 H new ATOM 479 N VAL A 34 -0.753 7.798 1.503 1.00 0.00 N ATOM 480 CA VAL A 34 -2.120 7.327 1.536 1.00 0.00 C ATOM 481 C VAL A 34 -2.577 7.065 2.969 1.00 0.00 C ATOM 482 O VAL A 34 -3.771 6.983 3.243 1.00 0.00 O ATOM 483 CB VAL A 34 -2.283 6.044 0.700 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.840 6.274 -0.735 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.523 4.881 1.315 1.00 0.00 C ATOM 0 H VAL A 34 -0.089 7.135 1.103 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.743 8.111 1.106 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.342 5.786 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.964 5.354 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.446 7.063 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.791 6.571 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.659 3.991 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.462 5.127 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.901 4.689 2.319 1.00 0.00 H new ATOM 495 N GLY A 35 -1.615 6.936 3.876 1.00 0.00 N ATOM 496 CA GLY A 35 -1.932 6.741 5.275 1.00 0.00 C ATOM 497 C GLY A 35 -2.106 5.281 5.633 1.00 0.00 C ATOM 498 O GLY A 35 -2.745 4.953 6.631 1.00 0.00 O ATOM 0 H GLY A 35 -0.618 6.963 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.138 7.169 5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.847 7.282 5.515 1.00 0.00 H new ATOM 502 N LEU A 36 -1.520 4.399 4.835 1.00 0.00 N ATOM 503 CA LEU A 36 -1.694 2.968 5.039 1.00 0.00 C ATOM 504 C LEU A 36 -0.545 2.382 5.843 1.00 0.00 C ATOM 505 O LEU A 36 -0.390 1.175 5.930 1.00 0.00 O ATOM 506 CB LEU A 36 -1.832 2.248 3.694 1.00 0.00 C ATOM 507 CG LEU A 36 -2.435 0.846 3.771 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.895 0.919 4.186 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.293 0.124 2.444 1.00 0.00 C ATOM 0 H LEU A 36 -0.924 4.647 4.045 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.611 2.819 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.450 2.857 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.847 2.179 3.233 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.888 0.280 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.310 -0.088 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.972 1.392 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.452 1.505 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.729 -0.872 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.810 0.686 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.237 0.038 2.188 1.00 0.00 H new ATOM 521 N ALA A 37 0.264 3.230 6.435 1.00 0.00 N ATOM 522 CA ALA A 37 1.272 2.755 7.364 1.00 0.00 C ATOM 523 C ALA A 37 0.724 2.831 8.789 1.00 0.00 C ATOM 524 O ALA A 37 1.172 2.113 9.680 1.00 0.00 O ATOM 525 CB ALA A 37 2.554 3.559 7.210 1.00 0.00 C ATOM 0 H ALA A 37 0.248 4.240 6.295 1.00 0.00 H new ATOM 0 HA ALA A 37 1.514 1.715 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.301 3.191 7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.930 3.452 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.351 4.610 7.413 1.00 0.00 H new ATOM 531 N ALA A 38 -0.274 3.693 8.978 1.00 0.00 N ATOM 532 CA ALA A 38 -0.924 3.858 10.277 1.00 0.00 C ATOM 533 C ALA A 38 -2.352 3.311 10.249 1.00 0.00 C ATOM 534 O ALA A 38 -3.227 3.764 10.987 1.00 0.00 O ATOM 535 CB ALA A 38 -0.924 5.326 10.679 1.00 0.00 C ATOM 0 H ALA A 38 -0.652 4.291 8.243 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.361 3.289 11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.410 5.438 11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.103 5.685 10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.465 5.908 9.932 1.00 0.00 H new ATOM 541 N LYS A 39 -2.575 2.336 9.384 1.00 0.00 N ATOM 542 CA LYS A 39 -3.876 1.688 9.246 1.00 0.00 C ATOM 543 C LYS A 39 -4.204 0.770 10.418 1.00 0.00 C ATOM 544 O LYS A 39 -3.380 0.534 11.304 1.00 0.00 O ATOM 545 CB LYS A 39 -3.926 0.879 7.947 1.00 0.00 C ATOM 546 CG LYS A 39 -2.591 0.290 7.517 1.00 0.00 C ATOM 547 CD LYS A 39 -1.934 -0.564 8.591 1.00 0.00 C ATOM 548 CE LYS A 39 -0.459 -0.759 8.287 1.00 0.00 C ATOM 549 NZ LYS A 39 0.276 -1.389 9.419 1.00 0.00 N ATOM 0 H LYS A 39 -1.861 1.968 8.755 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.621 2.483 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.644 0.068 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.299 1.521 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.740 -0.315 6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.915 1.101 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.051 -0.088 9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.431 -1.533 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.353 -1.381 7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.008 0.206 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.278 -1.501 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.199 -0.785 10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.135 -2.322 9.624 1.00 0.00 H new ATOM 563 N SER A 40 -5.421 0.256 10.398 1.00 0.00 N ATOM 564 CA SER A 40 -5.873 -0.719 11.371 1.00 0.00 C ATOM 565 C SER A 40 -6.026 -2.082 10.684 1.00 0.00 C ATOM 566 O SER A 40 -6.052 -2.142 9.455 1.00 0.00 O ATOM 567 CB SER A 40 -7.202 -0.249 11.965 1.00 0.00 C ATOM 568 OG SER A 40 -7.120 1.118 12.346 1.00 0.00 O ATOM 0 H SER A 40 -6.125 0.505 9.703 1.00 0.00 H new ATOM 0 HA SER A 40 -5.147 -0.820 12.178 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.001 -0.382 11.235 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.456 -0.860 12.831 1.00 0.00 H new ATOM 0 HG SER A 40 -7.978 1.405 12.723 1.00 0.00 H new ATOM 574 N PRO A 41 -6.102 -3.186 11.451 1.00 0.00 N ATOM 575 CA PRO A 41 -6.225 -4.544 10.891 1.00 0.00 C ATOM 576 C PRO A 41 -7.257 -4.656 9.762 1.00 0.00 C ATOM 577 O PRO A 41 -6.946 -5.153 8.677 1.00 0.00 O ATOM 578 CB PRO A 41 -6.665 -5.369 12.097 1.00 0.00 C ATOM 579 CG PRO A 41 -6.040 -4.683 13.260 1.00 0.00 C ATOM 580 CD PRO A 41 -6.044 -3.213 12.929 1.00 0.00 C ATOM 0 HA PRO A 41 -5.293 -4.871 10.430 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.751 -5.394 12.187 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.328 -6.402 12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.600 -4.878 14.175 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.024 -5.043 13.425 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.900 -2.705 13.373 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.149 -2.716 13.304 1.00 0.00 H new ATOM 588 N ALA A 42 -8.473 -4.173 10.011 1.00 0.00 N ATOM 589 CA ALA A 42 -9.564 -4.283 9.041 1.00 0.00 C ATOM 590 C ALA A 42 -9.329 -3.395 7.821 1.00 0.00 C ATOM 591 O ALA A 42 -9.870 -3.647 6.742 1.00 0.00 O ATOM 592 CB ALA A 42 -10.890 -3.933 9.695 1.00 0.00 C ATOM 0 H ALA A 42 -8.729 -3.700 10.878 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.595 -5.317 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.692 -4.019 8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.080 -4.617 10.522 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.851 -2.911 10.072 1.00 0.00 H new ATOM 598 N ASP A 43 -8.509 -2.371 7.991 1.00 0.00 N ATOM 599 CA ASP A 43 -8.217 -1.431 6.919 1.00 0.00 C ATOM 600 C ASP A 43 -7.436 -2.147 5.827 1.00 0.00 C ATOM 601 O ASP A 43 -7.799 -2.122 4.657 1.00 0.00 O ATOM 602 CB ASP A 43 -7.408 -0.260 7.477 1.00 0.00 C ATOM 603 CG ASP A 43 -7.294 0.918 6.534 1.00 0.00 C ATOM 604 OD1 ASP A 43 -6.968 0.721 5.350 1.00 0.00 O ATOM 605 OD2 ASP A 43 -7.506 2.058 7.001 1.00 0.00 O ATOM 0 H ASP A 43 -8.030 -2.168 8.868 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.144 -1.045 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.869 0.076 8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.406 -0.610 7.726 1.00 0.00 H new ATOM 610 N ILE A 44 -6.391 -2.843 6.233 1.00 0.00 N ATOM 611 CA ILE A 44 -5.591 -3.623 5.306 1.00 0.00 C ATOM 612 C ILE A 44 -6.393 -4.804 4.735 1.00 0.00 C ATOM 613 O ILE A 44 -6.057 -5.345 3.686 1.00 0.00 O ATOM 614 CB ILE A 44 -4.244 -4.051 5.952 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.189 -2.976 5.642 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.779 -5.427 5.479 1.00 0.00 C ATOM 617 CD1 ILE A 44 -1.809 -3.258 6.192 1.00 0.00 C ATOM 0 H ILE A 44 -6.075 -2.885 7.202 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.334 -2.992 4.455 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.388 -4.137 7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.116 -2.861 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.535 -2.023 6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.834 -5.677 5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.528 -6.174 5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.643 -5.413 4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.136 -2.444 5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.860 -3.341 7.278 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.435 -4.192 5.774 1.00 0.00 H new ATOM 629 N LYS A 45 -7.473 -5.186 5.407 1.00 0.00 N ATOM 630 CA LYS A 45 -8.348 -6.240 4.891 1.00 0.00 C ATOM 631 C LYS A 45 -9.136 -5.760 3.663 1.00 0.00 C ATOM 632 O LYS A 45 -9.345 -6.516 2.708 1.00 0.00 O ATOM 633 CB LYS A 45 -9.291 -6.741 5.985 1.00 0.00 C ATOM 634 CG LYS A 45 -8.555 -7.348 7.170 1.00 0.00 C ATOM 635 CD LYS A 45 -7.792 -8.607 6.777 1.00 0.00 C ATOM 636 CE LYS A 45 -6.702 -8.935 7.786 1.00 0.00 C ATOM 637 NZ LYS A 45 -7.231 -9.059 9.169 1.00 0.00 N ATOM 0 H LYS A 45 -7.764 -4.789 6.300 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.720 -7.072 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.908 -5.913 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.966 -7.486 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.860 -6.615 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.269 -7.587 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.485 -9.445 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.348 -8.472 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.215 -9.868 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.940 -8.156 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.487 -9.430 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.534 -8.124 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.043 -9.709 9.173 1.00 0.00 H new ATOM 651 N LYS A 46 -9.560 -4.504 3.652 1.00 0.00 N ATOM 652 CA LYS A 46 -10.163 -3.973 2.438 1.00 0.00 C ATOM 653 C LYS A 46 -9.068 -3.759 1.396 1.00 0.00 C ATOM 654 O LYS A 46 -9.330 -3.742 0.193 1.00 0.00 O ATOM 655 CB LYS A 46 -11.004 -2.701 2.694 1.00 0.00 C ATOM 656 CG LYS A 46 -10.268 -1.514 3.317 1.00 0.00 C ATOM 657 CD LYS A 46 -9.420 -0.743 2.309 1.00 0.00 C ATOM 658 CE LYS A 46 -10.246 -0.199 1.149 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.338 0.704 1.599 1.00 0.00 N ATOM 0 H LYS A 46 -9.502 -3.855 4.437 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.878 -4.700 2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.432 -2.378 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.836 -2.967 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.995 -0.837 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.628 -1.873 4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.921 0.084 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.639 -1.397 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.592 0.341 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.675 -1.032 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.804 1.125 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.034 0.160 2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.941 1.459 2.194 1.00 0.00 H new ATOM 673 N VAL A 47 -7.829 -3.636 1.877 1.00 0.00 N ATOM 674 CA VAL A 47 -6.660 -3.604 1.006 1.00 0.00 C ATOM 675 C VAL A 47 -6.448 -4.973 0.361 1.00 0.00 C ATOM 676 O VAL A 47 -6.041 -5.057 -0.793 1.00 0.00 O ATOM 677 CB VAL A 47 -5.389 -3.167 1.766 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.175 -3.187 0.854 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.577 -1.779 2.361 1.00 0.00 C ATOM 0 H VAL A 47 -7.612 -3.557 2.871 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.847 -2.864 0.228 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.219 -3.877 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.294 -2.875 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.023 -4.197 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.335 -2.504 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.672 -1.486 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.776 -1.065 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.418 -1.791 3.054 1.00 0.00 H new ATOM 689 N PHE A 48 -6.736 -6.032 1.121 1.00 0.00 N ATOM 690 CA PHE A 48 -6.806 -7.399 0.590 1.00 0.00 C ATOM 691 C PHE A 48 -7.603 -7.391 -0.699 1.00 0.00 C ATOM 692 O PHE A 48 -7.185 -7.946 -1.716 1.00 0.00 O ATOM 693 CB PHE A 48 -7.476 -8.324 1.631 1.00 0.00 C ATOM 694 CG PHE A 48 -7.899 -9.691 1.134 1.00 0.00 C ATOM 695 CD1 PHE A 48 -9.054 -9.849 0.376 1.00 0.00 C ATOM 696 CD2 PHE A 48 -7.157 -10.819 1.445 1.00 0.00 C ATOM 697 CE1 PHE A 48 -9.449 -11.097 -0.064 1.00 0.00 C ATOM 698 CE2 PHE A 48 -7.548 -12.069 1.006 1.00 0.00 C ATOM 699 CZ PHE A 48 -8.695 -12.208 0.251 1.00 0.00 C ATOM 0 H PHE A 48 -6.927 -5.968 2.121 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.802 -7.771 0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.786 -8.460 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.355 -7.815 2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.651 -8.984 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.260 -10.720 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.347 -11.203 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.956 -12.938 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.002 -13.185 -0.092 1.00 0.00 H new ATOM 709 N GLU A 49 -8.753 -6.739 -0.640 1.00 0.00 N ATOM 710 CA GLU A 49 -9.616 -6.619 -1.805 1.00 0.00 C ATOM 711 C GLU A 49 -9.012 -5.707 -2.874 1.00 0.00 C ATOM 712 O GLU A 49 -9.296 -5.882 -4.053 1.00 0.00 O ATOM 713 CB GLU A 49 -10.991 -6.088 -1.393 1.00 0.00 C ATOM 714 CG GLU A 49 -11.708 -6.964 -0.380 1.00 0.00 C ATOM 715 CD GLU A 49 -13.065 -6.414 0.007 1.00 0.00 C ATOM 716 OE1 GLU A 49 -13.969 -6.372 -0.857 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.243 -6.036 1.181 1.00 0.00 O ATOM 0 H GLU A 49 -9.110 -6.285 0.201 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.720 -7.615 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.874 -5.088 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.614 -5.992 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.830 -7.965 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.091 -7.060 0.513 1.00 0.00 H new ATOM 724 N ILE A 50 -8.189 -4.739 -2.471 1.00 0.00 N ATOM 725 CA ILE A 50 -7.654 -3.757 -3.418 1.00 0.00 C ATOM 726 C ILE A 50 -6.671 -4.370 -4.426 1.00 0.00 C ATOM 727 O ILE A 50 -6.866 -4.205 -5.631 1.00 0.00 O ATOM 728 CB ILE A 50 -6.971 -2.559 -2.727 1.00 0.00 C ATOM 729 CG1 ILE A 50 -7.889 -1.930 -1.686 1.00 0.00 C ATOM 730 CG2 ILE A 50 -6.603 -1.507 -3.760 1.00 0.00 C ATOM 731 CD1 ILE A 50 -7.221 -0.828 -0.897 1.00 0.00 C ATOM 0 H ILE A 50 -7.880 -4.613 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.533 -3.399 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.073 -2.926 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.772 -1.529 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.234 -2.703 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.121 -0.664 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.919 -1.938 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.505 -1.163 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.926 -0.420 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.354 -1.230 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.901 -0.037 -1.576 1.00 0.00 H new ATOM 743 N ILE A 51 -5.612 -5.068 -3.962 1.00 0.00 N ATOM 744 CA ILE A 51 -4.639 -5.628 -4.912 1.00 0.00 C ATOM 745 C ILE A 51 -5.324 -6.657 -5.773 1.00 0.00 C ATOM 746 O ILE A 51 -5.048 -6.756 -6.965 1.00 0.00 O ATOM 747 CB ILE A 51 -3.342 -6.254 -4.298 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.649 -7.108 -3.055 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.324 -5.165 -3.988 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.585 -6.353 -1.742 1.00 0.00 C ATOM 0 H ILE A 51 -5.417 -5.250 -2.978 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.287 -4.769 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.911 -6.926 -5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.644 -7.540 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.944 -7.938 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.428 -5.616 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.064 -4.638 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.751 -4.461 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.815 -7.032 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.584 -5.944 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.310 -5.540 -1.754 1.00 0.00 H new ATOM 762 N ASP A 52 -6.253 -7.403 -5.186 1.00 0.00 N ATOM 763 CA ASP A 52 -7.018 -8.345 -5.967 1.00 0.00 C ATOM 764 C ASP A 52 -8.235 -7.634 -6.542 1.00 0.00 C ATOM 765 O ASP A 52 -9.344 -7.789 -6.038 1.00 0.00 O ATOM 766 CB ASP A 52 -7.483 -9.546 -5.144 1.00 0.00 C ATOM 767 CG ASP A 52 -7.806 -10.733 -6.035 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.604 -10.643 -7.272 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.263 -11.764 -5.521 1.00 0.00 O ATOM 0 H ASP A 52 -6.485 -7.371 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.371 -8.722 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.706 -9.824 -4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.365 -9.273 -4.564 1.00 0.00 H new ATOM 774 N GLN A 53 -8.025 -6.848 -7.592 1.00 0.00 N ATOM 775 CA GLN A 53 -9.079 -5.992 -8.135 1.00 0.00 C ATOM 776 C GLN A 53 -10.299 -6.798 -8.598 1.00 0.00 C ATOM 777 O GLN A 53 -11.403 -6.263 -8.688 1.00 0.00 O ATOM 778 CB GLN A 53 -8.523 -5.111 -9.266 1.00 0.00 C ATOM 779 CG GLN A 53 -8.180 -5.853 -10.550 1.00 0.00 C ATOM 780 CD GLN A 53 -9.335 -5.905 -11.537 1.00 0.00 C ATOM 781 OE1 GLN A 53 -10.153 -4.863 -11.560 1.00 0.00 O flip ATOM 782 NE2 GLN A 53 -9.481 -6.871 -12.288 1.00 0.00 N flip ATOM 0 H GLN A 53 -7.135 -6.784 -8.086 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.425 -5.343 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.255 -4.337 -9.496 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.627 -4.606 -8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.326 -5.370 -11.025 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.874 -6.870 -10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.831 -7.656 -12.242 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.252 -6.886 -12.956 1.00 0.00 H new ATOM 791 N ASP A 54 -10.097 -8.080 -8.880 1.00 0.00 N ATOM 792 CA ASP A 54 -11.205 -8.966 -9.257 1.00 0.00 C ATOM 793 C ASP A 54 -11.590 -9.888 -8.092 1.00 0.00 C ATOM 794 O ASP A 54 -12.566 -10.637 -8.182 1.00 0.00 O ATOM 795 CB ASP A 54 -10.828 -9.808 -10.478 1.00 0.00 C ATOM 796 CG ASP A 54 -10.016 -11.034 -10.117 1.00 0.00 C ATOM 797 OD1 ASP A 54 -9.008 -10.901 -9.392 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.376 -12.140 -10.558 1.00 0.00 O ATOM 0 H ASP A 54 -9.183 -8.532 -8.857 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.062 -8.341 -9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.736 -10.119 -10.994 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.259 -9.194 -11.176 1.00 0.00 H new ATOM 803 N LYS A 55 -10.826 -9.803 -7.007 1.00 0.00 N ATOM 804 CA LYS A 55 -11.127 -10.481 -5.739 1.00 0.00 C ATOM 805 C LYS A 55 -11.550 -11.944 -5.917 1.00 0.00 C ATOM 806 O LYS A 55 -12.699 -12.315 -5.656 1.00 0.00 O ATOM 807 CB LYS A 55 -12.172 -9.692 -4.944 1.00 0.00 C ATOM 808 CG LYS A 55 -12.406 -10.230 -3.538 1.00 0.00 C ATOM 809 CD LYS A 55 -13.194 -9.254 -2.677 1.00 0.00 C ATOM 810 CE LYS A 55 -14.555 -8.933 -3.268 1.00 0.00 C ATOM 811 NZ LYS A 55 -15.349 -8.057 -2.368 1.00 0.00 N ATOM 0 H LYS A 55 -9.967 -9.254 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.197 -10.509 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.855 -8.651 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.116 -9.703 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.943 -11.177 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.446 -10.437 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.324 -9.675 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.624 -8.332 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.427 -8.443 -4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.101 -9.859 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.055 -7.536 -2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.832 -8.639 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.716 -7.382 -1.893 1.00 0.00 H new ATOM 825 N SER A 56 -10.619 -12.759 -6.391 1.00 0.00 N ATOM 826 CA SER A 56 -10.836 -14.191 -6.508 1.00 0.00 C ATOM 827 C SER A 56 -9.669 -14.958 -5.877 1.00 0.00 C ATOM 828 O SER A 56 -9.409 -16.114 -6.223 1.00 0.00 O ATOM 829 CB SER A 56 -11.027 -14.584 -7.976 1.00 0.00 C ATOM 830 OG SER A 56 -9.989 -14.059 -8.786 1.00 0.00 O ATOM 0 H SER A 56 -9.699 -12.448 -6.703 1.00 0.00 H new ATOM 0 HA SER A 56 -11.746 -14.455 -5.969 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.047 -15.670 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.990 -14.217 -8.331 1.00 0.00 H new ATOM 0 HG SER A 56 -10.367 -13.430 -9.435 1.00 0.00 H new ATOM 836 N ASP A 57 -8.959 -14.272 -4.972 1.00 0.00 N ATOM 837 CA ASP A 57 -7.897 -14.863 -4.139 1.00 0.00 C ATOM 838 C ASP A 57 -6.576 -15.034 -4.887 1.00 0.00 C ATOM 839 O ASP A 57 -5.701 -15.777 -4.444 1.00 0.00 O ATOM 840 CB ASP A 57 -8.331 -16.199 -3.525 1.00 0.00 C ATOM 841 CG ASP A 57 -9.098 -16.028 -2.230 1.00 0.00 C ATOM 842 OD1 ASP A 57 -10.338 -15.868 -2.275 1.00 0.00 O ATOM 843 OD2 ASP A 57 -8.465 -16.078 -1.155 1.00 0.00 O ATOM 0 H ASP A 57 -9.106 -13.279 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.726 -14.147 -3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.951 -16.738 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.449 -16.813 -3.341 1.00 0.00 H new ATOM 848 N PHE A 58 -6.422 -14.340 -6.007 1.00 0.00 N ATOM 849 CA PHE A 58 -5.156 -14.340 -6.738 1.00 0.00 C ATOM 850 C PHE A 58 -4.878 -12.949 -7.293 1.00 0.00 C ATOM 851 O PHE A 58 -5.741 -12.334 -7.921 1.00 0.00 O ATOM 852 CB PHE A 58 -5.148 -15.370 -7.871 1.00 0.00 C ATOM 853 CG PHE A 58 -5.289 -16.792 -7.402 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.219 -17.448 -6.813 1.00 0.00 C ATOM 855 CD2 PHE A 58 -6.487 -17.471 -7.549 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.343 -18.752 -6.377 1.00 0.00 C ATOM 857 CE2 PHE A 58 -6.616 -18.776 -7.116 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.543 -19.419 -6.530 1.00 0.00 C ATOM 0 H PHE A 58 -7.154 -13.770 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.369 -14.619 -6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.961 -15.143 -8.561 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.218 -15.273 -8.431 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.277 -16.933 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.330 -16.975 -8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.503 -19.250 -5.917 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.556 -19.294 -7.236 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.642 -20.440 -6.192 1.00 0.00 H new ATOM 868 N VAL A 59 -3.679 -12.455 -7.056 1.00 0.00 N ATOM 869 CA VAL A 59 -3.343 -11.080 -7.390 1.00 0.00 C ATOM 870 C VAL A 59 -2.091 -11.003 -8.269 1.00 0.00 C ATOM 871 O VAL A 59 -1.002 -10.740 -7.773 1.00 0.00 O ATOM 872 CB VAL A 59 -3.099 -10.271 -6.101 1.00 0.00 C ATOM 873 CG1 VAL A 59 -2.830 -8.823 -6.409 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.256 -10.403 -5.128 1.00 0.00 C ATOM 0 H VAL A 59 -2.917 -12.985 -6.632 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.183 -10.662 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.213 -10.690 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.662 -8.279 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.946 -8.744 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.687 -8.396 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.046 -9.819 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.169 -10.035 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.385 -11.451 -4.856 1.00 0.00 H new ATOM 884 N GLU A 60 -2.245 -11.218 -9.573 1.00 0.00 N ATOM 885 CA GLU A 60 -1.102 -11.165 -10.488 1.00 0.00 C ATOM 886 C GLU A 60 -0.737 -9.721 -10.837 1.00 0.00 C ATOM 887 O GLU A 60 -1.304 -8.778 -10.284 1.00 0.00 O ATOM 888 CB GLU A 60 -1.383 -11.950 -11.773 1.00 0.00 C ATOM 889 CG GLU A 60 -1.513 -13.449 -11.567 1.00 0.00 C ATOM 890 CD GLU A 60 -1.644 -14.201 -12.877 1.00 0.00 C ATOM 891 OE1 GLU A 60 -0.610 -14.440 -13.535 1.00 0.00 O ATOM 892 OE2 GLU A 60 -2.782 -14.547 -13.261 1.00 0.00 O ATOM 0 H GLU A 60 -3.138 -11.428 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.258 -11.625 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.303 -11.575 -12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.580 -11.760 -12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.641 -13.816 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.384 -13.654 -10.945 1.00 0.00 H new ATOM 899 N GLU A 61 0.208 -9.544 -11.752 1.00 0.00 N ATOM 900 CA GLU A 61 0.621 -8.207 -12.166 1.00 0.00 C ATOM 901 C GLU A 61 -0.533 -7.458 -12.828 1.00 0.00 C ATOM 902 O GLU A 61 -0.710 -6.257 -12.612 1.00 0.00 O ATOM 903 CB GLU A 61 1.805 -8.276 -13.123 1.00 0.00 C ATOM 904 CG GLU A 61 2.344 -6.905 -13.477 1.00 0.00 C ATOM 905 CD GLU A 61 3.314 -6.930 -14.629 1.00 0.00 C ATOM 906 OE1 GLU A 61 4.369 -7.576 -14.513 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.023 -6.284 -15.656 1.00 0.00 O ATOM 0 H GLU A 61 0.701 -10.304 -12.220 1.00 0.00 H new ATOM 0 HA GLU A 61 0.923 -7.665 -11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.599 -8.870 -12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.502 -8.790 -14.035 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.511 -6.247 -13.725 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.838 -6.479 -12.604 1.00 0.00 H new ATOM 914 N ASP A 62 -1.320 -8.171 -13.631 1.00 0.00 N ATOM 915 CA ASP A 62 -2.504 -7.585 -14.265 1.00 0.00 C ATOM 916 C ASP A 62 -3.471 -7.067 -13.214 1.00 0.00 C ATOM 917 O ASP A 62 -4.229 -6.126 -13.453 1.00 0.00 O ATOM 918 CB ASP A 62 -3.217 -8.606 -15.149 1.00 0.00 C ATOM 919 CG ASP A 62 -2.599 -8.730 -16.523 1.00 0.00 C ATOM 920 OD1 ASP A 62 -2.892 -7.878 -17.388 1.00 0.00 O ATOM 921 OD2 ASP A 62 -1.820 -9.679 -16.747 1.00 0.00 O ATOM 0 H ASP A 62 -1.162 -9.153 -13.859 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.167 -6.756 -14.887 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.198 -9.579 -14.659 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.264 -8.321 -15.252 1.00 0.00 H new ATOM 926 N GLU A 63 -3.436 -7.690 -12.049 1.00 0.00 N ATOM 927 CA GLU A 63 -4.257 -7.268 -10.934 1.00 0.00 C ATOM 928 C GLU A 63 -3.763 -5.927 -10.413 1.00 0.00 C ATOM 929 O GLU A 63 -4.542 -4.998 -10.240 1.00 0.00 O ATOM 930 CB GLU A 63 -4.201 -8.306 -9.821 1.00 0.00 C ATOM 931 CG GLU A 63 -5.545 -8.597 -9.196 1.00 0.00 C ATOM 932 CD GLU A 63 -6.440 -9.399 -10.101 1.00 0.00 C ATOM 933 OE1 GLU A 63 -7.175 -8.805 -10.901 1.00 0.00 O ATOM 934 OE2 GLU A 63 -6.418 -10.644 -9.999 1.00 0.00 O ATOM 0 H GLU A 63 -2.842 -8.496 -11.853 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.289 -7.166 -11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.787 -9.232 -10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.517 -7.959 -9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.398 -9.140 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.036 -7.657 -8.945 1.00 0.00 H new ATOM 941 N LEU A 64 -2.449 -5.832 -10.204 1.00 0.00 N ATOM 942 CA LEU A 64 -1.819 -4.602 -9.720 1.00 0.00 C ATOM 943 C LEU A 64 -1.995 -3.468 -10.713 1.00 0.00 C ATOM 944 O LEU A 64 -1.855 -2.300 -10.364 1.00 0.00 O ATOM 945 CB LEU A 64 -0.327 -4.819 -9.453 1.00 0.00 C ATOM 946 CG LEU A 64 0.035 -5.259 -8.032 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.280 -4.161 -7.029 1.00 0.00 C ATOM 948 CD2 LEU A 64 -0.693 -6.541 -7.666 1.00 0.00 C ATOM 0 H LEU A 64 -1.796 -6.599 -10.364 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.312 -4.332 -8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.043 -5.569 -10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.201 -3.891 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 64 1.107 -5.452 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.014 -4.497 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.293 -3.267 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.345 -3.931 -7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.422 -6.837 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.769 -6.377 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.411 -7.331 -8.362 1.00 0.00 H new ATOM 960 N LYS A 65 -2.285 -3.817 -11.952 1.00 0.00 N ATOM 961 CA LYS A 65 -2.516 -2.824 -12.982 1.00 0.00 C ATOM 962 C LYS A 65 -3.785 -2.035 -12.693 1.00 0.00 C ATOM 963 O LYS A 65 -3.787 -0.808 -12.715 1.00 0.00 O ATOM 964 CB LYS A 65 -2.625 -3.495 -14.354 1.00 0.00 C ATOM 965 CG LYS A 65 -1.502 -3.142 -15.316 1.00 0.00 C ATOM 966 CD LYS A 65 -0.136 -3.507 -14.757 1.00 0.00 C ATOM 967 CE LYS A 65 0.945 -3.375 -15.819 1.00 0.00 C ATOM 968 NZ LYS A 65 2.300 -3.676 -15.288 1.00 0.00 N ATOM 0 H LYS A 65 -2.366 -4.783 -12.269 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.670 -2.137 -12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.643 -4.576 -14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.576 -3.216 -14.807 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.658 -3.662 -16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.532 -2.074 -15.531 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.099 -2.860 -13.912 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.156 -4.529 -14.379 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.723 -4.050 -16.645 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.932 -2.363 -16.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.019 -3.289 -15.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.408 -3.244 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.422 -4.706 -15.212 1.00 0.00 H new ATOM 982 N LEU A 66 -4.872 -2.745 -12.445 1.00 0.00 N ATOM 983 CA LEU A 66 -6.158 -2.102 -12.222 1.00 0.00 C ATOM 984 C LEU A 66 -6.529 -2.065 -10.744 1.00 0.00 C ATOM 985 O LEU A 66 -7.613 -1.605 -10.367 1.00 0.00 O ATOM 986 CB LEU A 66 -7.218 -2.788 -13.070 1.00 0.00 C ATOM 987 CG LEU A 66 -6.854 -2.830 -14.556 1.00 0.00 C ATOM 988 CD1 LEU A 66 -7.987 -3.416 -15.377 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.480 -1.433 -15.048 1.00 0.00 C ATOM 0 H LEU A 66 -4.892 -3.763 -12.393 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.090 -1.059 -12.533 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.364 -3.806 -12.708 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.168 -2.267 -12.948 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.988 -3.480 -14.682 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.702 -3.434 -16.429 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.194 -4.432 -15.039 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.880 -2.804 -15.253 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.223 -1.477 -16.106 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.325 -0.759 -14.907 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.624 -1.065 -14.482 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.612 -2.522 -9.906 1.00 0.00 N ATOM 1002 CA PHE A 67 -5.798 -2.462 -8.462 1.00 0.00 C ATOM 1003 C PHE A 67 -5.955 -1.000 -8.037 1.00 0.00 C ATOM 1004 O PHE A 67 -6.555 -0.692 -7.010 1.00 0.00 O ATOM 1005 CB PHE A 67 -4.631 -3.178 -7.747 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.710 -2.315 -6.920 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -2.691 -1.589 -7.509 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -3.856 -2.252 -5.546 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -1.840 -0.813 -6.745 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -3.009 -1.480 -4.775 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.001 -0.758 -5.375 1.00 0.00 C ATOM 0 H PHE A 67 -4.729 -2.940 -10.200 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.708 -2.987 -8.170 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.050 -3.947 -7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.032 -3.689 -8.501 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.558 -1.629 -8.580 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.644 -2.815 -5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.050 -0.250 -7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.137 -1.443 -3.703 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.339 -0.151 -4.776 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.427 -0.103 -8.867 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.588 1.333 -8.671 1.00 0.00 C ATOM 1023 C LEU A 68 -7.040 1.737 -8.817 1.00 0.00 C ATOM 1024 O LEU A 68 -7.542 2.574 -8.068 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.767 2.133 -9.690 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.253 1.940 -9.652 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.738 2.018 -8.223 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.860 0.630 -10.313 1.00 0.00 C ATOM 0 H LEU A 68 -4.878 -0.351 -9.690 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.236 1.554 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.118 1.874 -10.689 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.979 3.192 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.788 2.747 -10.217 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.657 1.878 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.980 2.994 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.208 1.238 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.777 0.514 -10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.333 -0.199 -9.787 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.188 0.634 -11.353 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.707 1.136 -9.792 1.00 0.00 N ATOM 1041 CA GLN A 69 -9.104 1.429 -10.058 1.00 0.00 C ATOM 1042 C GLN A 69 -9.953 0.928 -8.906 1.00 0.00 C ATOM 1043 O GLN A 69 -11.095 1.346 -8.721 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.537 0.778 -11.365 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.696 1.206 -12.552 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.724 2.704 -12.786 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.600 3.222 -13.478 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.755 3.411 -12.227 1.00 0.00 N ATOM 0 H GLN A 69 -7.298 0.439 -10.414 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.236 2.507 -10.153 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.481 -0.305 -11.260 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.581 1.026 -11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.666 0.887 -12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.054 0.697 -13.447 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.046 2.946 -11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.717 4.421 -12.363 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.378 0.021 -8.134 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.023 -0.459 -6.923 1.00 0.00 C ATOM 1059 C ASN A 70 -9.740 0.508 -5.781 1.00 0.00 C ATOM 1060 O ASN A 70 -10.631 0.851 -5.000 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.511 -1.857 -6.565 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.301 -2.517 -5.449 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -10.352 -3.829 -5.477 1.00 0.00 O flip ATOM 1064 ND2 ASN A 70 -10.858 -1.860 -4.571 1.00 0.00 N flip ATOM 0 H ASN A 70 -8.467 -0.397 -8.324 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.098 -0.517 -7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.550 -2.489 -7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.464 -1.788 -6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.798 -0.842 -4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.380 -2.333 -3.834 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.497 0.968 -5.715 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.053 1.858 -4.651 1.00 0.00 C ATOM 1073 C PHE A 71 -8.835 3.171 -4.682 1.00 0.00 C ATOM 1074 O PHE A 71 -9.320 3.639 -3.654 1.00 0.00 O ATOM 1075 CB PHE A 71 -6.552 2.140 -4.794 1.00 0.00 C ATOM 1076 CG PHE A 71 -5.833 2.324 -3.483 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.172 3.355 -2.622 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -4.813 1.460 -3.116 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -5.510 3.517 -1.419 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -4.148 1.618 -1.915 1.00 0.00 C ATOM 1081 CZ PHE A 71 -4.498 2.647 -1.065 1.00 0.00 C ATOM 0 H PHE A 71 -7.772 0.736 -6.394 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.237 1.369 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.089 1.317 -5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.418 3.037 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.962 4.040 -2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.534 0.653 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.785 4.324 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.355 0.937 -1.642 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.981 2.772 -0.125 1.00 0.00 H new ATOM 1091 N SER A 72 -8.972 3.749 -5.869 1.00 0.00 N ATOM 1092 CA SER A 72 -9.647 5.029 -6.015 1.00 0.00 C ATOM 1093 C SER A 72 -10.345 5.136 -7.370 1.00 0.00 C ATOM 1094 O SER A 72 -10.080 4.343 -8.276 1.00 0.00 O ATOM 1095 CB SER A 72 -8.643 6.166 -5.838 1.00 0.00 C ATOM 1096 OG SER A 72 -7.474 5.924 -6.597 1.00 0.00 O ATOM 0 H SER A 72 -8.625 3.351 -6.742 1.00 0.00 H new ATOM 0 HA SER A 72 -10.413 5.104 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.095 7.108 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.384 6.268 -4.784 1.00 0.00 H new ATOM 0 HG SER A 72 -7.080 6.778 -6.872 1.00 0.00 H new ATOM 1102 N ALA A 73 -11.229 6.118 -7.503 1.00 0.00 N ATOM 1103 CA ALA A 73 -12.000 6.295 -8.727 1.00 0.00 C ATOM 1104 C ALA A 73 -11.147 6.906 -9.832 1.00 0.00 C ATOM 1105 O ALA A 73 -11.186 6.459 -10.980 1.00 0.00 O ATOM 1106 CB ALA A 73 -13.219 7.163 -8.456 1.00 0.00 C ATOM 0 H ALA A 73 -11.430 6.805 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.332 5.313 -9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.788 7.289 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.847 6.684 -7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.897 8.139 -8.092 1.00 0.00 H new ATOM 1112 N GLY A 74 -10.367 7.916 -9.480 1.00 0.00 N ATOM 1113 CA GLY A 74 -9.500 8.557 -10.448 1.00 0.00 C ATOM 1114 C GLY A 74 -8.050 8.211 -10.205 1.00 0.00 C ATOM 1115 O GLY A 74 -7.310 8.985 -9.600 1.00 0.00 O ATOM 0 H GLY A 74 -10.318 8.305 -8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.785 8.249 -11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.631 9.638 -10.396 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.640 7.043 -10.668 1.00 0.00 N ATOM 1120 CA ALA A 75 -6.300 6.555 -10.395 1.00 0.00 C ATOM 1121 C ALA A 75 -5.523 6.286 -11.673 1.00 0.00 C ATOM 1122 O ALA A 75 -6.096 6.221 -12.761 1.00 0.00 O ATOM 1123 CB ALA A 75 -6.367 5.300 -9.547 1.00 0.00 C ATOM 0 H ALA A 75 -8.214 6.417 -11.233 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.769 7.334 -9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.357 4.941 -9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.865 5.524 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.927 4.531 -10.079 1.00 0.00 H new ATOM 1129 N ARG A 76 -4.214 6.133 -11.531 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.336 5.878 -12.655 1.00 0.00 C ATOM 1131 C ARG A 76 -2.805 4.450 -12.583 1.00 0.00 C ATOM 1132 O ARG A 76 -2.254 4.049 -11.561 1.00 0.00 O ATOM 1133 CB ARG A 76 -2.161 6.862 -12.645 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.559 8.323 -12.486 1.00 0.00 C ATOM 1135 CD ARG A 76 -3.242 8.881 -13.725 1.00 0.00 C ATOM 1136 NE ARG A 76 -4.594 8.355 -13.910 1.00 0.00 N ATOM 1137 CZ ARG A 76 -5.510 8.915 -14.699 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -5.236 10.033 -15.358 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -6.708 8.353 -14.817 1.00 0.00 N ATOM 0 H ARG A 76 -3.735 6.183 -10.632 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.902 6.009 -13.577 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.486 6.593 -11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.603 6.750 -13.574 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.228 8.423 -11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.671 8.916 -12.267 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.286 9.968 -13.652 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.641 8.645 -14.603 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.851 7.508 -13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.319 10.470 -15.263 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.942 10.456 -15.960 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.923 7.497 -14.305 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.413 8.777 -15.420 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.986 3.689 -13.656 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.529 2.304 -13.700 1.00 0.00 C ATOM 1155 C ALA A 77 -1.008 2.224 -13.655 1.00 0.00 C ATOM 1156 O ALA A 77 -0.320 2.760 -14.524 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.059 1.602 -14.943 1.00 0.00 C ATOM 0 H ALA A 77 -3.447 4.008 -14.509 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.921 1.797 -12.819 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.707 0.571 -14.956 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.149 1.613 -14.930 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.701 2.119 -15.833 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.494 1.557 -12.632 1.00 0.00 N ATOM 1164 CA LEU A 78 0.942 1.390 -12.452 1.00 0.00 C ATOM 1165 C LEU A 78 1.534 0.539 -13.568 1.00 0.00 C ATOM 1166 O LEU A 78 0.979 -0.498 -13.934 1.00 0.00 O ATOM 1167 CB LEU A 78 1.232 0.750 -11.092 1.00 0.00 C ATOM 1168 CG LEU A 78 1.466 1.725 -9.928 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.407 2.816 -9.891 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.488 0.967 -8.611 1.00 0.00 C ATOM 0 H LEU A 78 -1.058 1.117 -11.905 1.00 0.00 H new ATOM 0 HA LEU A 78 1.408 2.375 -12.489 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.397 0.099 -10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.112 0.115 -11.191 1.00 0.00 H new ATOM 0 HG LEU A 78 2.432 2.207 -10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.605 3.487 -9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.433 3.380 -10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.577 2.364 -9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.654 1.666 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.534 0.460 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.291 0.231 -8.628 1.00 0.00 H new ATOM 1182 N SER A 79 2.654 0.986 -14.110 1.00 0.00 N ATOM 1183 CA SER A 79 3.317 0.277 -15.192 1.00 0.00 C ATOM 1184 C SER A 79 4.825 0.462 -15.102 1.00 0.00 C ATOM 1185 O SER A 79 5.317 1.109 -14.174 1.00 0.00 O ATOM 1186 CB SER A 79 2.791 0.774 -16.542 1.00 0.00 C ATOM 1187 OG SER A 79 1.388 0.591 -16.635 1.00 0.00 O ATOM 0 H SER A 79 3.126 1.841 -13.817 1.00 0.00 H new ATOM 0 HA SER A 79 3.099 -0.787 -15.103 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.033 1.830 -16.665 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.287 0.237 -17.350 1.00 0.00 H new ATOM 0 HG SER A 79 1.073 0.916 -17.504 1.00 0.00 H new ATOM 1193 N ASP A 80 5.548 -0.123 -16.059 1.00 0.00 N ATOM 1194 CA ASP A 80 7.008 -0.054 -16.088 1.00 0.00 C ATOM 1195 C ASP A 80 7.601 -0.777 -14.892 1.00 0.00 C ATOM 1196 O ASP A 80 6.952 -1.650 -14.305 1.00 0.00 O ATOM 1197 CB ASP A 80 7.490 1.405 -16.147 1.00 0.00 C ATOM 1198 CG ASP A 80 7.490 1.957 -17.558 1.00 0.00 C ATOM 1199 OD1 ASP A 80 6.443 2.469 -18.007 1.00 0.00 O ATOM 1200 OD2 ASP A 80 8.538 1.874 -18.233 1.00 0.00 O ATOM 0 H ASP A 80 5.141 -0.653 -16.829 1.00 0.00 H new ATOM 0 HA ASP A 80 7.354 -0.554 -16.992 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.848 2.022 -15.518 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.497 1.469 -15.735 1.00 0.00 H new ATOM 1205 N ALA A 81 8.831 -0.428 -14.542 1.00 0.00 N ATOM 1206 CA ALA A 81 9.539 -1.081 -13.452 1.00 0.00 C ATOM 1207 C ALA A 81 8.752 -1.037 -12.143 1.00 0.00 C ATOM 1208 O ALA A 81 8.897 -1.929 -11.311 1.00 0.00 O ATOM 1209 CB ALA A 81 10.909 -0.449 -13.265 1.00 0.00 C ATOM 0 H ALA A 81 9.363 0.311 -15.003 1.00 0.00 H new ATOM 0 HA ALA A 81 9.657 -2.130 -13.722 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.430 -0.946 -12.447 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.488 -0.557 -14.182 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.793 0.609 -13.032 1.00 0.00 H new ATOM 1215 N GLU A 82 7.893 -0.030 -11.991 1.00 0.00 N ATOM 1216 CA GLU A 82 7.122 0.168 -10.768 1.00 0.00 C ATOM 1217 C GLU A 82 6.373 -1.103 -10.389 1.00 0.00 C ATOM 1218 O GLU A 82 6.514 -1.602 -9.278 1.00 0.00 O ATOM 1219 CB GLU A 82 6.159 1.347 -10.974 1.00 0.00 C ATOM 1220 CG GLU A 82 4.970 1.396 -10.025 1.00 0.00 C ATOM 1221 CD GLU A 82 5.339 1.673 -8.578 1.00 0.00 C ATOM 1222 OE1 GLU A 82 6.007 2.689 -8.311 1.00 0.00 O ATOM 1223 OE2 GLU A 82 4.943 0.876 -7.700 1.00 0.00 O ATOM 0 H GLU A 82 7.713 0.669 -12.711 1.00 0.00 H new ATOM 0 HA GLU A 82 7.795 0.399 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.722 2.275 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.784 1.313 -11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.279 2.167 -10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.438 0.446 -10.077 1.00 0.00 H new ATOM 1230 N THR A 83 5.625 -1.663 -11.324 1.00 0.00 N ATOM 1231 CA THR A 83 4.868 -2.864 -11.029 1.00 0.00 C ATOM 1232 C THR A 83 5.801 -4.048 -10.788 1.00 0.00 C ATOM 1233 O THR A 83 5.495 -4.934 -10.012 1.00 0.00 O ATOM 1234 CB THR A 83 3.889 -3.216 -12.159 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.393 -2.017 -12.767 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.720 -4.019 -11.609 1.00 0.00 C ATOM 0 H THR A 83 5.527 -1.312 -12.277 1.00 0.00 H new ATOM 0 HA THR A 83 4.294 -2.660 -10.125 1.00 0.00 H new ATOM 0 HB THR A 83 4.417 -3.811 -12.904 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.414 -2.050 -12.805 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.033 -4.263 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.091 -4.940 -11.159 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.197 -3.431 -10.855 1.00 0.00 H new ATOM 1244 N LYS A 84 6.954 -4.043 -11.434 1.00 0.00 N ATOM 1245 CA LYS A 84 7.867 -5.172 -11.358 1.00 0.00 C ATOM 1246 C LYS A 84 8.543 -5.243 -9.993 1.00 0.00 C ATOM 1247 O LYS A 84 8.373 -6.209 -9.246 1.00 0.00 O ATOM 1248 CB LYS A 84 8.935 -5.050 -12.439 1.00 0.00 C ATOM 1249 CG LYS A 84 8.388 -4.683 -13.804 1.00 0.00 C ATOM 1250 CD LYS A 84 7.493 -5.774 -14.366 1.00 0.00 C ATOM 1251 CE LYS A 84 6.918 -5.384 -15.717 1.00 0.00 C ATOM 1252 NZ LYS A 84 7.981 -5.124 -16.724 1.00 0.00 N ATOM 0 H LYS A 84 7.281 -3.272 -12.016 1.00 0.00 H new ATOM 0 HA LYS A 84 7.287 -6.083 -11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.661 -4.296 -12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.470 -5.996 -12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.825 -3.753 -13.732 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.215 -4.502 -14.490 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.063 -6.698 -14.465 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.680 -5.974 -13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.266 -6.180 -16.076 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.301 -4.493 -15.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.555 -5.062 -17.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.459 -4.228 -16.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.673 -5.900 -16.706 1.00 0.00 H new ATOM 1266 N VAL A 85 9.294 -4.204 -9.669 1.00 0.00 N ATOM 1267 CA VAL A 85 10.101 -4.187 -8.460 1.00 0.00 C ATOM 1268 C VAL A 85 9.249 -3.933 -7.219 1.00 0.00 C ATOM 1269 O VAL A 85 9.493 -4.509 -6.156 1.00 0.00 O ATOM 1270 CB VAL A 85 11.233 -3.131 -8.562 1.00 0.00 C ATOM 1271 CG1 VAL A 85 10.689 -1.783 -9.008 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.973 -2.988 -7.242 1.00 0.00 C ATOM 0 H VAL A 85 9.362 -3.355 -10.231 1.00 0.00 H new ATOM 0 HA VAL A 85 10.554 -5.173 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 85 11.938 -3.483 -9.315 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.506 -1.064 -9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.220 -1.886 -9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.951 -1.432 -8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.760 -2.241 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.275 -2.675 -6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.415 -3.946 -6.967 1.00 0.00 H new ATOM 1282 N PHE A 86 8.231 -3.105 -7.357 1.00 0.00 N ATOM 1283 CA PHE A 86 7.445 -2.702 -6.218 1.00 0.00 C ATOM 1284 C PHE A 86 6.310 -3.677 -5.918 1.00 0.00 C ATOM 1285 O PHE A 86 5.774 -3.672 -4.817 1.00 0.00 O ATOM 1286 CB PHE A 86 6.953 -1.278 -6.415 1.00 0.00 C ATOM 1287 CG PHE A 86 8.052 -0.267 -6.254 1.00 0.00 C ATOM 1288 CD1 PHE A 86 8.870 -0.298 -5.137 1.00 0.00 C ATOM 1289 CD2 PHE A 86 8.271 0.704 -7.213 1.00 0.00 C ATOM 1290 CE1 PHE A 86 9.887 0.625 -4.981 1.00 0.00 C ATOM 1291 CE2 PHE A 86 9.284 1.631 -7.063 1.00 0.00 C ATOM 1292 CZ PHE A 86 10.094 1.591 -5.947 1.00 0.00 C ATOM 0 H PHE A 86 7.934 -2.702 -8.246 1.00 0.00 H new ATOM 0 HA PHE A 86 8.083 -2.725 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.516 -1.181 -7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.161 -1.067 -5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.712 -1.051 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.642 0.738 -8.090 1.00 0.00 H new ATOM 0 HE1 PHE A 86 10.519 0.591 -4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.442 2.386 -7.819 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.888 2.313 -5.829 1.00 0.00 H new ATOM 1302 N LEU A 87 5.936 -4.514 -6.880 1.00 0.00 N ATOM 1303 CA LEU A 87 5.078 -5.655 -6.570 1.00 0.00 C ATOM 1304 C LEU A 87 5.939 -6.781 -6.000 1.00 0.00 C ATOM 1305 O LEU A 87 5.479 -7.598 -5.202 1.00 0.00 O ATOM 1306 CB LEU A 87 4.278 -6.101 -7.807 1.00 0.00 C ATOM 1307 CG LEU A 87 3.891 -7.581 -7.882 1.00 0.00 C ATOM 1308 CD1 LEU A 87 2.460 -7.741 -8.380 1.00 0.00 C ATOM 1309 CD2 LEU A 87 4.851 -8.325 -8.804 1.00 0.00 C ATOM 0 H LEU A 87 6.205 -4.429 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 87 4.341 -5.368 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.364 -5.508 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.861 -5.857 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 87 3.956 -8.005 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.207 -8.800 -8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.778 -7.234 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.370 -7.304 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.568 -9.377 -8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.805 -7.892 -9.803 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.867 -8.239 -8.417 1.00 0.00 H new ATOM 1321 N LYS A 88 7.211 -6.790 -6.382 1.00 0.00 N ATOM 1322 CA LYS A 88 8.168 -7.725 -5.810 1.00 0.00 C ATOM 1323 C LYS A 88 8.464 -7.363 -4.353 1.00 0.00 C ATOM 1324 O LYS A 88 8.909 -8.206 -3.572 1.00 0.00 O ATOM 1325 CB LYS A 88 9.458 -7.740 -6.637 1.00 0.00 C ATOM 1326 CG LYS A 88 10.553 -8.613 -6.062 1.00 0.00 C ATOM 1327 CD LYS A 88 10.137 -10.070 -6.062 1.00 0.00 C ATOM 1328 CE LYS A 88 11.216 -10.958 -5.468 1.00 0.00 C ATOM 1329 NZ LYS A 88 11.555 -10.561 -4.074 1.00 0.00 N ATOM 0 H LYS A 88 7.601 -6.161 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 88 7.734 -8.725 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.226 -8.084 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.831 -6.720 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.465 -8.491 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.781 -8.295 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.215 -10.186 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.924 -10.388 -7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.880 -11.995 -5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.111 -10.907 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.631 -11.411 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.462 -10.052 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.809 -9.942 -3.698 1.00 0.00 H new ATOM 1343 N ALA A 89 8.203 -6.106 -3.990 1.00 0.00 N ATOM 1344 CA ALA A 89 8.325 -5.660 -2.600 1.00 0.00 C ATOM 1345 C ALA A 89 7.440 -6.496 -1.687 1.00 0.00 C ATOM 1346 O ALA A 89 7.690 -6.610 -0.487 1.00 0.00 O ATOM 1347 CB ALA A 89 7.956 -4.187 -2.465 1.00 0.00 C ATOM 0 H ALA A 89 7.906 -5.378 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 89 9.365 -5.789 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.055 -3.881 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.622 -3.587 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.926 -4.039 -2.790 1.00 0.00 H new ATOM 1353 N GLY A 90 6.409 -7.087 -2.273 1.00 0.00 N ATOM 1354 CA GLY A 90 5.482 -7.889 -1.513 1.00 0.00 C ATOM 1355 C GLY A 90 5.709 -9.365 -1.727 1.00 0.00 C ATOM 1356 O GLY A 90 6.039 -10.085 -0.786 1.00 0.00 O ATOM 0 H GLY A 90 6.200 -7.022 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.584 -7.656 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.462 -7.633 -1.799 1.00 0.00 H new ATOM 1360 N ASP A 91 5.562 -9.803 -2.976 1.00 0.00 N ATOM 1361 CA ASP A 91 5.706 -11.215 -3.330 1.00 0.00 C ATOM 1362 C ASP A 91 7.103 -11.712 -2.962 1.00 0.00 C ATOM 1363 O ASP A 91 8.095 -11.312 -3.575 1.00 0.00 O ATOM 1364 CB ASP A 91 5.485 -11.395 -4.826 1.00 0.00 C ATOM 1365 CG ASP A 91 5.406 -12.852 -5.220 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.196 -13.714 -4.330 1.00 0.00 O ATOM 1367 OD2 ASP A 91 5.549 -13.147 -6.416 1.00 0.00 O ATOM 0 H ASP A 91 5.342 -9.196 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 91 4.964 -11.792 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.564 -10.891 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.298 -10.916 -5.372 1.00 0.00 H new ATOM 1372 N SER A 92 7.178 -12.592 -1.975 1.00 0.00 N ATOM 1373 CA SER A 92 8.457 -13.023 -1.436 1.00 0.00 C ATOM 1374 C SER A 92 8.994 -14.194 -2.236 1.00 0.00 C ATOM 1375 O SER A 92 10.189 -14.482 -2.222 1.00 0.00 O ATOM 1376 CB SER A 92 8.301 -13.421 0.031 1.00 0.00 C ATOM 1377 OG SER A 92 7.604 -12.422 0.757 1.00 0.00 O ATOM 0 H SER A 92 6.366 -13.022 -1.531 1.00 0.00 H new ATOM 0 HA SER A 92 9.163 -12.195 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.764 -14.367 0.100 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.284 -13.579 0.475 1.00 0.00 H new ATOM 0 HG SER A 92 7.515 -12.700 1.693 1.00 0.00 H new ATOM 1383 N ASP A 93 8.096 -14.863 -2.940 1.00 0.00 N ATOM 1384 CA ASP A 93 8.476 -16.024 -3.737 1.00 0.00 C ATOM 1385 C ASP A 93 9.025 -15.580 -5.079 1.00 0.00 C ATOM 1386 O ASP A 93 9.820 -16.283 -5.707 1.00 0.00 O ATOM 1387 CB ASP A 93 7.286 -16.955 -3.991 1.00 0.00 C ATOM 1388 CG ASP A 93 6.260 -16.925 -2.886 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.375 -17.713 -1.930 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.321 -16.107 -2.982 1.00 0.00 O ATOM 0 H ASP A 93 7.105 -14.627 -2.978 1.00 0.00 H new ATOM 0 HA ASP A 93 9.234 -16.564 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.808 -16.675 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.651 -17.975 -4.112 1.00 0.00 H new ATOM 1395 N GLY A 94 8.597 -14.400 -5.510 1.00 0.00 N ATOM 1396 CA GLY A 94 8.927 -13.927 -6.836 1.00 0.00 C ATOM 1397 C GLY A 94 8.193 -14.727 -7.885 1.00 0.00 C ATOM 1398 O GLY A 94 8.766 -15.116 -8.902 1.00 0.00 O ATOM 0 H GLY A 94 8.024 -13.761 -4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.666 -12.873 -6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.002 -14.005 -6.998 1.00 0.00 H new ATOM 1402 N ASP A 95 6.917 -14.969 -7.630 1.00 0.00 N ATOM 1403 CA ASP A 95 6.116 -15.839 -8.469 1.00 0.00 C ATOM 1404 C ASP A 95 5.118 -15.031 -9.299 1.00 0.00 C ATOM 1405 O ASP A 95 4.449 -15.574 -10.180 1.00 0.00 O ATOM 1406 CB ASP A 95 5.401 -16.901 -7.616 1.00 0.00 C ATOM 1407 CG ASP A 95 4.284 -16.348 -6.749 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.556 -15.858 -5.620 1.00 0.00 O ATOM 1409 OD2 ASP A 95 3.118 -16.441 -7.171 1.00 0.00 O ATOM 0 H ASP A 95 6.412 -14.569 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 95 6.780 -16.354 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.990 -17.666 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.134 -17.392 -6.976 1.00 0.00 H new ATOM 1414 N GLY A 96 5.016 -13.735 -9.010 1.00 0.00 N ATOM 1415 CA GLY A 96 4.266 -12.838 -9.875 1.00 0.00 C ATOM 1416 C GLY A 96 2.898 -12.457 -9.339 1.00 0.00 C ATOM 1417 O GLY A 96 1.984 -12.177 -10.115 1.00 0.00 O ATOM 0 H GLY A 96 5.438 -13.291 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.849 -11.930 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.143 -13.310 -10.850 1.00 0.00 H new ATOM 1421 N LYS A 97 2.749 -12.442 -8.022 1.00 0.00 N ATOM 1422 CA LYS A 97 1.470 -12.096 -7.405 1.00 0.00 C ATOM 1423 C LYS A 97 1.673 -11.516 -6.032 1.00 0.00 C ATOM 1424 O LYS A 97 2.575 -11.905 -5.294 1.00 0.00 O ATOM 1425 CB LYS A 97 0.573 -13.325 -7.287 1.00 0.00 C ATOM 1426 CG LYS A 97 1.120 -14.385 -6.345 1.00 0.00 C ATOM 1427 CD LYS A 97 0.055 -15.405 -5.974 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.433 -16.176 -7.193 1.00 0.00 C ATOM 1429 NZ LYS A 97 0.633 -17.032 -7.774 1.00 0.00 N ATOM 0 H LYS A 97 3.493 -12.664 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 97 0.993 -11.355 -8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.412 -13.014 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.438 -13.763 -8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.962 -14.892 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.500 -13.909 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.458 -16.102 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.787 -14.898 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.284 -16.797 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.786 -15.474 -7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.835 -16.723 -8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.495 -16.951 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.316 -18.022 -7.785 1.00 0.00 H new ATOM 1443 N ILE A 98 0.806 -10.599 -5.688 1.00 0.00 N ATOM 1444 CA ILE A 98 0.805 -10.041 -4.370 1.00 0.00 C ATOM 1445 C ILE A 98 -0.072 -10.874 -3.461 1.00 0.00 C ATOM 1446 O ILE A 98 -1.301 -10.802 -3.517 1.00 0.00 O ATOM 1447 CB ILE A 98 0.317 -8.578 -4.362 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.372 -7.657 -4.962 1.00 0.00 C ATOM 1449 CG2 ILE A 98 -0.026 -8.132 -2.954 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.666 -7.641 -4.182 1.00 0.00 C ATOM 0 H ILE A 98 0.090 -10.224 -6.310 1.00 0.00 H new ATOM 0 HA ILE A 98 1.833 -10.050 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.584 -8.520 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.577 -7.970 -5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.974 -6.644 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.368 -7.097 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.816 -8.768 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.859 -8.210 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.373 -6.965 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.474 -7.300 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.086 -8.646 -4.154 1.00 0.00 H new ATOM 1462 N GLY A 99 0.560 -11.720 -2.671 1.00 0.00 N ATOM 1463 CA GLY A 99 -0.128 -12.269 -1.540 1.00 0.00 C ATOM 1464 C GLY A 99 -0.493 -11.129 -0.629 1.00 0.00 C ATOM 1465 O GLY A 99 0.302 -10.210 -0.455 1.00 0.00 O ATOM 0 H GLY A 99 1.524 -12.031 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.022 -12.805 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.505 -12.987 -1.019 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.681 -11.136 -0.080 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.130 -10.000 0.697 1.00 0.00 C ATOM 1471 C VAL A 100 -1.261 -9.809 1.935 1.00 0.00 C ATOM 1472 O VAL A 100 -0.939 -8.683 2.321 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.598 -10.152 1.077 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.026 -9.013 1.977 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.443 -10.204 -0.191 1.00 0.00 C ATOM 0 H VAL A 100 -2.350 -11.903 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.032 -9.107 0.080 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.741 -11.081 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.077 -9.133 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.421 -9.018 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.889 -8.066 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.494 -10.313 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.306 -9.283 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.134 -11.054 -0.800 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.864 -10.919 2.529 1.00 0.00 N ATOM 1486 CA ASP A 101 0.101 -10.905 3.620 1.00 0.00 C ATOM 1487 C ASP A 101 1.409 -10.283 3.138 1.00 0.00 C ATOM 1488 O ASP A 101 2.007 -9.443 3.816 1.00 0.00 O ATOM 1489 CB ASP A 101 0.349 -12.332 4.103 1.00 0.00 C ATOM 1490 CG ASP A 101 1.131 -12.389 5.400 1.00 0.00 C ATOM 1491 OD1 ASP A 101 2.355 -12.140 5.383 1.00 0.00 O ATOM 1492 OD2 ASP A 101 0.522 -12.702 6.444 1.00 0.00 O ATOM 0 H ASP A 101 -1.196 -11.849 2.274 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.293 -10.313 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.608 -12.835 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.891 -12.881 3.333 1.00 0.00 H new ATOM 1497 N GLU A 102 1.821 -10.695 1.944 1.00 0.00 N ATOM 1498 CA GLU A 102 3.013 -10.161 1.292 1.00 0.00 C ATOM 1499 C GLU A 102 2.902 -8.645 1.138 1.00 0.00 C ATOM 1500 O GLU A 102 3.853 -7.905 1.395 1.00 0.00 O ATOM 1501 CB GLU A 102 3.175 -10.794 -0.094 1.00 0.00 C ATOM 1502 CG GLU A 102 3.151 -12.315 -0.106 1.00 0.00 C ATOM 1503 CD GLU A 102 4.425 -12.930 0.423 1.00 0.00 C ATOM 1504 OE1 GLU A 102 4.694 -12.818 1.638 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.165 -13.533 -0.381 1.00 0.00 O ATOM 0 H GLU A 102 1.338 -11.410 1.400 1.00 0.00 H new ATOM 0 HA GLU A 102 3.879 -10.397 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.379 -10.427 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.117 -10.456 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.310 -12.664 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.983 -12.662 -1.125 1.00 0.00 H new ATOM 1512 N PHE A 103 1.726 -8.191 0.716 1.00 0.00 N ATOM 1513 CA PHE A 103 1.473 -6.771 0.510 1.00 0.00 C ATOM 1514 C PHE A 103 1.615 -6.017 1.822 1.00 0.00 C ATOM 1515 O PHE A 103 2.264 -4.978 1.874 1.00 0.00 O ATOM 1516 CB PHE A 103 0.074 -6.548 -0.070 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.104 -5.201 -0.718 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.622 -4.864 -1.848 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.994 -4.279 -0.204 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.465 -3.631 -2.451 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.158 -3.043 -0.804 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.427 -2.718 -1.928 1.00 0.00 C ATOM 0 H PHE A 103 0.928 -8.792 0.509 1.00 0.00 H new ATOM 0 HA PHE A 103 2.208 -6.393 -0.201 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.133 -7.325 -0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.662 -6.658 0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.321 -5.575 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.569 -4.525 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.040 -3.382 -3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.859 -2.332 -0.392 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.553 -1.753 -2.396 1.00 0.00 H new ATOM 1532 N GLY A 104 1.023 -6.566 2.880 1.00 0.00 N ATOM 1533 CA GLY A 104 1.121 -5.958 4.196 1.00 0.00 C ATOM 1534 C GLY A 104 2.557 -5.724 4.616 1.00 0.00 C ATOM 1535 O GLY A 104 2.876 -4.719 5.255 1.00 0.00 O ATOM 0 H GLY A 104 0.475 -7.425 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.586 -5.009 4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.631 -6.600 4.928 1.00 0.00 H new ATOM 1539 N ALA A 105 3.434 -6.640 4.227 1.00 0.00 N ATOM 1540 CA ALA A 105 4.846 -6.535 4.556 1.00 0.00 C ATOM 1541 C ALA A 105 5.518 -5.399 3.788 1.00 0.00 C ATOM 1542 O ALA A 105 6.434 -4.759 4.301 1.00 0.00 O ATOM 1543 CB ALA A 105 5.549 -7.856 4.284 1.00 0.00 C ATOM 0 H ALA A 105 3.189 -7.466 3.681 1.00 0.00 H new ATOM 0 HA ALA A 105 4.927 -6.305 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.606 -7.764 4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.099 -8.640 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.447 -8.112 3.229 1.00 0.00 H new ATOM 1549 N MET A 106 5.065 -5.135 2.564 1.00 0.00 N ATOM 1550 CA MET A 106 5.639 -4.045 1.773 1.00 0.00 C ATOM 1551 C MET A 106 5.070 -2.705 2.235 1.00 0.00 C ATOM 1552 O MET A 106 5.679 -1.655 2.032 1.00 0.00 O ATOM 1553 CB MET A 106 5.377 -4.218 0.266 1.00 0.00 C ATOM 1554 CG MET A 106 4.058 -3.618 -0.195 1.00 0.00 C ATOM 1555 SD MET A 106 3.996 -3.252 -1.961 1.00 0.00 S ATOM 1556 CE MET A 106 4.054 -4.890 -2.667 1.00 0.00 C ATOM 0 H MET A 106 4.315 -5.650 2.103 1.00 0.00 H new ATOM 0 HA MET A 106 6.717 -4.069 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.192 -3.755 -0.291 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.388 -5.281 0.023 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.251 -4.308 0.051 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.874 -2.700 0.363 1.00 0.00 H new ATOM 0 HE1 MET A 106 3.442 -4.919 -3.569 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.084 -5.141 -2.919 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.671 -5.611 -1.945 1.00 0.00 H new ATOM 1566 N ILE A 107 3.900 -2.748 2.862 1.00 0.00 N ATOM 1567 CA ILE A 107 3.245 -1.538 3.332 1.00 0.00 C ATOM 1568 C ILE A 107 3.944 -1.042 4.581 1.00 0.00 C ATOM 1569 O ILE A 107 4.084 0.159 4.815 1.00 0.00 O ATOM 1570 CB ILE A 107 1.754 -1.776 3.653 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.018 -2.345 2.444 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.104 -0.481 4.090 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.416 -2.721 2.741 1.00 0.00 C ATOM 0 H ILE A 107 3.388 -3.608 3.055 1.00 0.00 H new ATOM 0 HA ILE A 107 3.306 -0.797 2.535 1.00 0.00 H new ATOM 0 HB ILE A 107 1.693 -2.502 4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.035 -1.611 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.550 -3.225 2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.052 -0.659 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.606 -0.104 4.981 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.185 0.255 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.882 -3.119 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.439 -3.478 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.962 -1.838 3.073 1.00 0.00 H new ATOM 1585 N LYS A 108 4.389 -1.996 5.372 1.00 0.00 N ATOM 1586 CA LYS A 108 5.054 -1.706 6.626 1.00 0.00 C ATOM 1587 C LYS A 108 6.554 -1.501 6.415 1.00 0.00 C ATOM 1588 O LYS A 108 7.186 -0.707 7.114 1.00 0.00 O ATOM 1589 CB LYS A 108 4.754 -2.839 7.619 1.00 0.00 C ATOM 1590 CG LYS A 108 5.576 -2.811 8.905 1.00 0.00 C ATOM 1591 CD LYS A 108 6.841 -3.659 8.803 1.00 0.00 C ATOM 1592 CE LYS A 108 6.517 -5.137 8.622 1.00 0.00 C ATOM 1593 NZ LYS A 108 7.733 -5.991 8.701 1.00 0.00 N ATOM 0 H LYS A 108 4.301 -2.991 5.165 1.00 0.00 H new ATOM 0 HA LYS A 108 4.674 -0.772 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.697 -2.800 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.923 -3.793 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.849 -1.781 9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.965 -3.172 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.444 -3.313 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.442 -3.526 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.806 -5.448 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.032 -5.286 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.466 -6.988 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.402 -5.713 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.182 -5.870 9.631 1.00 0.00 H new ATOM 1607 N ALA A 109 7.120 -2.194 5.439 1.00 0.00 N ATOM 1608 CA ALA A 109 8.540 -2.080 5.159 1.00 0.00 C ATOM 1609 C ALA A 109 8.767 -1.677 3.709 1.00 0.00 C ATOM 1610 O ALA A 109 8.868 -2.574 2.845 1.00 0.00 O ATOM 1611 CB ALA A 109 9.250 -3.385 5.478 1.00 0.00 C ATOM 1612 OXT ALA A 109 8.829 -0.461 3.437 1.00 0.00 O ATOM 0 H ALA A 109 6.618 -2.840 4.830 1.00 0.00 H new ATOM 0 HA ALA A 109 8.959 -1.301 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.314 -3.283 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.115 -3.624 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.832 -4.185 4.868 1.00 0.00 H new