USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 635 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 69 ASN : amide:sc= -0.0268 K(o=1.2,f=-2.7!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -176:sc= 1.18 (180deg=0.929) USER MOD Set 2.1: A 55 TYR OH : rot -162:sc= 1.25 USER MOD Set 2.2: A 57 LYS NZ :NH3+ 151:sc= 0.918 (180deg=0.061!) USER MOD Set 3.1: A 46 HIS : no HD1:sc= -5.8! C(o=-5.8!,f=-8.5!) USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 39 HIS : no HE2:sc= -6.45! C(o=-7.6!,f=-14!) USER MOD Set 4.2: A 43 MET CE :methyl 138:sc= -1.17 (180deg=-5.38!) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.12 (180deg=-0.578) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.332 (180deg=0.175) USER MOD Single : A 4 LYS NZ :NH3+ -144:sc= 2.49 (180deg=0.613) USER MOD Single : A 5 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.079) USER MOD Single : A 6 SER OG : rot 98:sc= 1.28 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 75:sc= 1.21 USER MOD Single : A 11 THR OG1 : rot -170:sc= 0.0321 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 20 THR OG1 : rot 100:sc= 0.223 USER MOD Single : A 21 THR OG1 : rot -124:sc= 1.19 USER MOD Single : A 23 CYS SG : rot 68:sc= 0.258 USER MOD Single : A 24 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.019) USER MOD Single : A 27 THR OG1 : rot -36:sc= -0.19 USER MOD Single : A 28 SER OG : rot -174:sc= 0.632 USER MOD Single : A 29 SER OG : rot -79:sc= 0.956 USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= 0.841 (180deg=0.49) USER MOD Single : A 38 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 44 THR OG1 : rot -7:sc= 0.561 USER MOD Single : A 50 SER OG : rot 52:sc= 1.35 USER MOD Single : A 54 TYR OH : rot -30:sc= -0.0194 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 57:sc= 0.561 USER MOD Single : A 73 GLN : amide:sc= 0.689 K(o=0.69,f=0) USER MOD Single : A 78 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.3) USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= -0.642 (180deg=-3.89!) USER MOD Single : A 81 SER OG : rot -130:sc= 0.00663 USER MOD Single : A 84 LYS NZ :NH3+ -145:sc= -0.425! (180deg=-1.69!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.004 3.209 9.425 1.00 0.00 N ATOM 2 CA MET A 1 -6.375 2.367 10.466 1.00 0.00 C ATOM 3 C MET A 1 -5.638 3.261 11.471 1.00 0.00 C ATOM 4 O MET A 1 -6.028 4.414 11.623 1.00 0.00 O ATOM 5 CB MET A 1 -5.512 1.252 9.857 1.00 0.00 C ATOM 6 CG MET A 1 -4.333 1.743 9.009 1.00 0.00 C ATOM 7 SD MET A 1 -3.088 0.486 8.590 1.00 0.00 S ATOM 8 CE MET A 1 -4.113 -0.980 8.275 1.00 0.00 C ATOM 0 H1 MET A 1 -7.678 2.637 8.877 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.507 4.000 9.875 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.270 3.582 8.790 1.00 0.00 H new ATOM 0 HA MET A 1 -7.146 1.834 11.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.127 0.628 10.664 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.147 0.617 9.239 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.725 2.163 8.083 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.838 2.555 9.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.554 -1.691 7.667 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.382 -1.446 9.223 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.019 -0.684 7.746 1.00 0.00 H new ATOM 20 N GLU A 2 -4.616 2.770 12.185 1.00 0.00 N ATOM 21 CA GLU A 2 -3.647 3.632 12.857 1.00 0.00 C ATOM 22 C GLU A 2 -2.703 4.142 11.766 1.00 0.00 C ATOM 23 O GLU A 2 -2.967 5.233 11.246 1.00 0.00 O ATOM 24 CB GLU A 2 -2.944 2.979 14.076 1.00 0.00 C ATOM 25 CG GLU A 2 -3.243 1.506 14.404 1.00 0.00 C ATOM 26 CD GLU A 2 -2.602 0.532 13.414 1.00 0.00 C ATOM 27 OE1 GLU A 2 -3.092 0.467 12.266 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.633 -0.157 13.804 1.00 0.00 O ATOM 0 H GLU A 2 -4.442 1.773 12.310 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.151 4.471 13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.868 3.071 13.925 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.194 3.570 14.957 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.884 1.283 15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.322 1.352 14.410 1.00 0.00 H new ATOM 35 N LEU A 3 -1.695 3.344 11.362 1.00 0.00 N ATOM 36 CA LEU A 3 -0.577 3.484 10.502 1.00 0.00 C ATOM 37 C LEU A 3 0.605 3.192 11.394 1.00 0.00 C ATOM 38 O LEU A 3 0.472 2.889 12.584 1.00 0.00 O ATOM 39 CB LEU A 3 -0.429 4.836 9.853 1.00 0.00 C ATOM 40 CG LEU A 3 -1.352 4.995 8.645 1.00 0.00 C ATOM 41 CD1 LEU A 3 -1.038 6.375 8.061 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.224 3.842 7.645 1.00 0.00 C ATOM 0 H LEU A 3 -1.683 2.395 11.735 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.680 2.812 9.650 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.650 5.615 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.606 4.977 9.540 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.402 4.943 8.932 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.667 6.553 7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.233 7.141 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.011 6.415 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.903 4.009 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.199 3.792 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.479 2.903 8.137 1.00 0.00 H new ATOM 54 N LYS A 4 1.770 3.221 10.792 1.00 0.00 N ATOM 55 CA LYS A 4 2.953 2.700 11.361 1.00 0.00 C ATOM 56 C LYS A 4 4.071 3.676 11.089 1.00 0.00 C ATOM 57 O LYS A 4 3.864 4.713 10.465 1.00 0.00 O ATOM 58 CB LYS A 4 3.126 1.300 10.798 1.00 0.00 C ATOM 59 CG LYS A 4 3.030 0.160 11.813 1.00 0.00 C ATOM 60 CD LYS A 4 1.635 -0.243 12.235 1.00 0.00 C ATOM 61 CE LYS A 4 1.544 -1.589 12.951 1.00 0.00 C ATOM 62 NZ LYS A 4 0.148 -2.049 13.103 1.00 0.00 N ATOM 0 H LYS A 4 1.907 3.624 9.865 1.00 0.00 H new ATOM 0 HA LYS A 4 2.933 2.593 12.446 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.370 1.142 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.097 1.243 10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.527 -0.715 11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.588 0.447 12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.232 0.529 12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.998 -0.274 11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.111 -2.334 12.393 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.007 -1.507 13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.041 -2.539 14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.493 -1.230 13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.089 -2.702 12.329 1.00 0.00 H new ATOM 76 N HIS A 5 5.249 3.365 11.608 1.00 0.00 N ATOM 77 CA HIS A 5 6.437 4.124 11.240 1.00 0.00 C ATOM 78 C HIS A 5 7.041 3.604 9.970 1.00 0.00 C ATOM 79 O HIS A 5 7.782 4.273 9.257 1.00 0.00 O ATOM 80 CB HIS A 5 7.486 4.105 12.342 1.00 0.00 C ATOM 81 CG HIS A 5 6.929 3.854 13.708 1.00 0.00 C ATOM 82 ND1 HIS A 5 6.086 4.666 14.432 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.950 2.625 14.288 1.00 0.00 C ATOM 84 CE1 HIS A 5 5.632 3.936 15.466 1.00 0.00 C ATOM 85 NE2 HIS A 5 6.131 2.690 15.422 1.00 0.00 N ATOM 0 H HIS A 5 5.409 2.608 12.273 1.00 0.00 H new ATOM 0 HA HIS A 5 6.113 5.154 11.088 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.223 3.335 12.114 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.012 5.060 12.345 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.496 1.761 13.940 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.959 4.301 16.227 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.949 1.937 16.086 1.00 0.00 H new ATOM 93 N SER A 6 6.718 2.352 9.755 1.00 0.00 N ATOM 94 CA SER A 6 7.394 1.486 8.914 1.00 0.00 C ATOM 95 C SER A 6 6.449 0.591 8.198 1.00 0.00 C ATOM 96 O SER A 6 5.482 0.088 8.771 1.00 0.00 O ATOM 97 CB SER A 6 8.323 0.618 9.705 1.00 0.00 C ATOM 98 OG SER A 6 8.705 1.076 10.992 1.00 0.00 O ATOM 0 H SER A 6 5.917 1.914 10.209 1.00 0.00 H new ATOM 0 HA SER A 6 7.946 2.095 8.198 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.855 -0.360 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.229 0.470 9.117 1.00 0.00 H new ATOM 0 HG SER A 6 8.145 0.647 11.672 1.00 0.00 H new ATOM 104 N ILE A 7 6.929 0.179 7.040 1.00 0.00 N ATOM 105 CA ILE A 7 6.375 -0.938 6.331 1.00 0.00 C ATOM 106 C ILE A 7 6.472 -2.246 7.111 1.00 0.00 C ATOM 107 O ILE A 7 6.124 -3.298 6.609 1.00 0.00 O ATOM 108 CB ILE A 7 7.084 -0.992 4.975 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.108 -1.593 3.971 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.428 -1.751 5.041 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.726 -1.780 2.610 1.00 0.00 C ATOM 0 H ILE A 7 7.720 0.619 6.569 1.00 0.00 H new ATOM 0 HA ILE A 7 5.302 -0.804 6.190 1.00 0.00 H new ATOM 0 HB ILE A 7 7.360 0.013 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.756 -2.555 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.235 -0.946 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.890 -1.760 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.092 -1.254 5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.252 -2.776 5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.989 -2.211 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.054 -0.815 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.583 -2.450 2.688 1.00 0.00 H new ATOM 123 N SER A 8 7.051 -2.219 8.297 1.00 0.00 N ATOM 124 CA SER A 8 7.602 -3.338 8.973 1.00 0.00 C ATOM 125 C SER A 8 7.198 -3.401 10.414 1.00 0.00 C ATOM 126 O SER A 8 7.370 -4.453 11.028 1.00 0.00 O ATOM 127 CB SER A 8 9.055 -3.323 8.683 1.00 0.00 C ATOM 128 OG SER A 8 9.968 -3.287 9.754 1.00 0.00 O ATOM 0 H SER A 8 7.146 -1.355 8.831 1.00 0.00 H new ATOM 0 HA SER A 8 7.199 -4.284 8.611 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.280 -4.209 8.089 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.255 -2.457 8.052 1.00 0.00 H new ATOM 0 HG SER A 8 10.883 -3.283 9.404 1.00 0.00 H new ATOM 134 N ASP A 9 6.597 -2.322 10.923 1.00 0.00 N ATOM 135 CA ASP A 9 5.806 -2.513 12.116 1.00 0.00 C ATOM 136 C ASP A 9 4.473 -3.135 11.751 1.00 0.00 C ATOM 137 O ASP A 9 3.763 -3.545 12.665 1.00 0.00 O ATOM 138 CB ASP A 9 5.625 -1.195 12.864 1.00 0.00 C ATOM 139 CG ASP A 9 6.916 -0.889 13.606 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.810 -0.341 12.919 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.019 -1.243 14.798 1.00 0.00 O ATOM 0 H ASP A 9 6.642 -1.373 10.551 1.00 0.00 H new ATOM 0 HA ASP A 9 6.330 -3.194 12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.388 -0.392 12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.792 -1.266 13.564 1.00 0.00 H new ATOM 146 N TYR A 10 4.134 -3.250 10.455 1.00 0.00 N ATOM 147 CA TYR A 10 2.926 -3.959 10.027 1.00 0.00 C ATOM 148 C TYR A 10 3.338 -5.100 9.082 1.00 0.00 C ATOM 149 O TYR A 10 4.444 -5.048 8.546 1.00 0.00 O ATOM 150 CB TYR A 10 1.849 -2.982 9.525 1.00 0.00 C ATOM 151 CG TYR A 10 1.887 -2.359 8.154 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.026 -2.408 7.341 1.00 0.00 C ATOM 153 CD2 TYR A 10 0.727 -1.705 7.694 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.045 -1.725 6.125 1.00 0.00 C ATOM 155 CE2 TYR A 10 0.760 -0.979 6.495 1.00 0.00 C ATOM 156 CZ TYR A 10 1.969 -0.889 5.780 1.00 0.00 C ATOM 157 OH TYR A 10 2.109 0.008 4.780 1.00 0.00 O ATOM 0 H TYR A 10 4.683 -2.859 9.689 1.00 0.00 H new ATOM 0 HA TYR A 10 2.421 -4.444 10.862 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.896 -3.505 9.602 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.820 -2.159 10.239 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.890 -2.975 7.656 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.188 -1.763 8.265 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.882 -1.838 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.131 -0.495 6.125 1.00 0.00 H new ATOM 0 HH TYR A 10 2.087 -0.457 3.918 1.00 0.00 H new ATOM 167 N THR A 11 2.557 -6.175 8.931 1.00 0.00 N ATOM 168 CA THR A 11 2.898 -7.274 8.015 1.00 0.00 C ATOM 169 C THR A 11 2.466 -6.934 6.596 1.00 0.00 C ATOM 170 O THR A 11 1.786 -5.943 6.334 1.00 0.00 O ATOM 171 CB THR A 11 2.382 -8.668 8.484 1.00 0.00 C ATOM 172 OG1 THR A 11 1.284 -9.181 7.747 1.00 0.00 O ATOM 173 CG2 THR A 11 1.999 -8.820 9.942 1.00 0.00 C ATOM 0 H THR A 11 1.680 -6.310 9.433 1.00 0.00 H new ATOM 0 HA THR A 11 3.984 -7.372 8.026 1.00 0.00 H new ATOM 0 HB THR A 11 3.294 -9.235 8.298 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.927 -9.973 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.659 -9.839 10.124 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.865 -8.608 10.570 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.197 -8.122 10.182 1.00 0.00 H new ATOM 181 N GLU A 12 2.834 -7.795 5.658 1.00 0.00 N ATOM 182 CA GLU A 12 2.465 -7.592 4.279 1.00 0.00 C ATOM 183 C GLU A 12 0.968 -7.782 4.028 1.00 0.00 C ATOM 184 O GLU A 12 0.405 -7.146 3.145 1.00 0.00 O ATOM 185 CB GLU A 12 3.300 -8.535 3.425 1.00 0.00 C ATOM 186 CG GLU A 12 3.339 -7.929 2.038 1.00 0.00 C ATOM 187 CD GLU A 12 4.228 -8.736 1.093 1.00 0.00 C ATOM 188 OE1 GLU A 12 3.689 -9.650 0.433 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.401 -8.329 0.902 1.00 0.00 O ATOM 0 H GLU A 12 3.385 -8.635 5.833 1.00 0.00 H new ATOM 0 HA GLU A 12 2.669 -6.556 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.306 -8.640 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.859 -9.532 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.328 -7.880 1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.708 -6.905 2.099 1.00 0.00 H new ATOM 196 N ALA A 13 0.311 -8.627 4.816 1.00 0.00 N ATOM 197 CA ALA A 13 -1.136 -8.798 4.788 1.00 0.00 C ATOM 198 C ALA A 13 -1.787 -7.604 5.471 1.00 0.00 C ATOM 199 O ALA A 13 -2.827 -7.133 5.028 1.00 0.00 O ATOM 200 CB ALA A 13 -1.524 -10.104 5.490 1.00 0.00 C ATOM 0 H ALA A 13 0.777 -9.221 5.502 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.484 -8.853 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.607 -10.223 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.054 -10.945 4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.187 -10.074 6.526 1.00 0.00 H new ATOM 206 N GLU A 14 -1.133 -7.090 6.508 1.00 0.00 N ATOM 207 CA GLU A 14 -1.522 -5.899 7.237 1.00 0.00 C ATOM 208 C GLU A 14 -1.616 -4.697 6.292 1.00 0.00 C ATOM 209 O GLU A 14 -2.566 -3.917 6.327 1.00 0.00 O ATOM 210 CB GLU A 14 -0.477 -5.706 8.358 1.00 0.00 C ATOM 211 CG GLU A 14 -1.107 -5.248 9.665 1.00 0.00 C ATOM 212 CD GLU A 14 -0.200 -5.240 10.916 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.685 -6.116 11.064 1.00 0.00 O ATOM 214 OE2 GLU A 14 -0.321 -4.290 11.721 1.00 0.00 O ATOM 0 H GLU A 14 -0.281 -7.515 6.875 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.513 -5.998 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.053 -6.644 8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.264 -4.973 8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.493 -4.239 9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.963 -5.890 9.872 1.00 0.00 H new ATOM 221 N PHE A 15 -0.654 -4.596 5.384 1.00 0.00 N ATOM 222 CA PHE A 15 -0.610 -3.587 4.343 1.00 0.00 C ATOM 223 C PHE A 15 -1.481 -3.924 3.155 1.00 0.00 C ATOM 224 O PHE A 15 -2.001 -3.030 2.494 1.00 0.00 O ATOM 225 CB PHE A 15 0.811 -3.543 3.851 1.00 0.00 C ATOM 226 CG PHE A 15 1.092 -2.662 2.650 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.762 -1.298 2.652 1.00 0.00 C ATOM 228 CD2 PHE A 15 1.778 -3.201 1.554 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.301 -0.446 1.676 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.288 -2.358 0.554 1.00 0.00 C ATOM 231 CZ PHE A 15 2.112 -0.972 0.659 1.00 0.00 C ATOM 0 H PHE A 15 0.140 -5.236 5.354 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.967 -2.646 4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.445 -3.209 4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.117 -4.560 3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.094 -0.904 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.915 -4.270 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.092 0.613 1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.813 -2.776 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.599 -0.310 -0.041 1.00 0.00 H new ATOM 241 N LEU A 16 -1.657 -5.207 2.859 1.00 0.00 N ATOM 242 CA LEU A 16 -2.508 -5.579 1.744 1.00 0.00 C ATOM 243 C LEU A 16 -3.927 -5.159 2.052 1.00 0.00 C ATOM 244 O LEU A 16 -4.628 -4.643 1.194 1.00 0.00 O ATOM 245 CB LEU A 16 -2.400 -7.079 1.535 1.00 0.00 C ATOM 246 CG LEU A 16 -3.233 -7.658 0.383 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.278 -6.838 -0.897 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.609 -8.989 -0.078 1.00 0.00 C ATOM 0 H LEU A 16 -1.233 -5.986 3.363 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.199 -5.080 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.353 -7.327 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.697 -7.577 2.458 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.235 -7.715 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.896 -7.349 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.702 -5.856 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.268 -6.720 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.198 -9.403 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.588 -8.814 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.598 -9.693 0.754 1.00 0.00 H new ATOM 260 N GLN A 17 -4.298 -5.317 3.315 1.00 0.00 N ATOM 261 CA GLN A 17 -5.479 -4.899 3.951 1.00 0.00 C ATOM 262 C GLN A 17 -5.561 -3.394 3.920 1.00 0.00 C ATOM 263 O GLN A 17 -6.636 -2.842 3.765 1.00 0.00 O ATOM 264 CB GLN A 17 -5.543 -5.458 5.382 1.00 0.00 C ATOM 265 CG GLN A 17 -6.654 -4.769 6.171 1.00 0.00 C ATOM 266 CD GLN A 17 -6.972 -5.384 7.532 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.591 -6.501 7.861 1.00 0.00 O ATOM 268 NE2 GLN A 17 -7.701 -4.653 8.361 1.00 0.00 N ATOM 0 H GLN A 17 -3.685 -5.802 3.971 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.345 -5.291 3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.722 -6.533 5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.586 -5.308 5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.377 -3.725 6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.562 -4.775 5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.015 -3.724 8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.949 -5.019 9.280 1.00 0.00 H new ATOM 277 N LEU A 18 -4.433 -2.725 4.075 1.00 0.00 N ATOM 278 CA LEU A 18 -4.415 -1.297 4.089 1.00 0.00 C ATOM 279 C LEU A 18 -4.771 -0.725 2.719 1.00 0.00 C ATOM 280 O LEU A 18 -5.648 0.125 2.594 1.00 0.00 O ATOM 281 CB LEU A 18 -3.084 -0.799 4.586 1.00 0.00 C ATOM 282 CG LEU A 18 -3.152 0.711 4.804 1.00 0.00 C ATOM 283 CD1 LEU A 18 -2.446 1.477 3.675 1.00 0.00 C ATOM 284 CD2 LEU A 18 -4.483 1.336 5.216 1.00 0.00 C ATOM 0 H LEU A 18 -3.519 -3.162 4.193 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.180 -0.944 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.822 -1.300 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.302 -1.038 3.865 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.592 0.834 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.515 2.548 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.397 1.182 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.924 1.245 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.360 2.413 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.232 1.135 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.809 0.907 6.163 1.00 0.00 H new ATOM 296 N VAL A 19 -4.138 -1.261 1.681 1.00 0.00 N ATOM 297 CA VAL A 19 -4.405 -0.894 0.276 1.00 0.00 C ATOM 298 C VAL A 19 -5.912 -1.140 0.068 1.00 0.00 C ATOM 299 O VAL A 19 -6.643 -0.313 -0.460 1.00 0.00 O ATOM 300 CB VAL A 19 -3.551 -1.808 -0.578 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.064 -1.727 -2.012 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.110 -1.288 -0.452 1.00 0.00 C ATOM 0 H VAL A 19 -3.414 -1.972 1.782 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.167 0.138 0.018 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.590 -2.853 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.465 -2.377 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.106 -2.046 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.988 -0.700 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.445 -1.911 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.062 -0.259 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.800 -1.324 0.592 1.00 0.00 H new ATOM 312 N THR A 20 -6.385 -2.274 0.574 1.00 0.00 N ATOM 313 CA THR A 20 -7.748 -2.761 0.589 1.00 0.00 C ATOM 314 C THR A 20 -8.677 -1.825 1.379 1.00 0.00 C ATOM 315 O THR A 20 -9.823 -1.697 0.988 1.00 0.00 O ATOM 316 CB THR A 20 -7.610 -4.194 1.133 1.00 0.00 C ATOM 317 OG1 THR A 20 -7.308 -5.098 0.092 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.616 -4.788 2.095 1.00 0.00 C ATOM 0 H THR A 20 -5.755 -2.936 1.027 1.00 0.00 H new ATOM 0 HA THR A 20 -8.234 -2.777 -0.387 1.00 0.00 H new ATOM 0 HB THR A 20 -6.785 -4.039 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.348 -5.294 0.097 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.322 -5.807 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.650 -4.186 3.003 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.602 -4.799 1.630 1.00 0.00 H new ATOM 326 N THR A 21 -8.216 -1.107 2.403 1.00 0.00 N ATOM 327 CA THR A 21 -8.917 -0.076 3.161 1.00 0.00 C ATOM 328 C THR A 21 -9.092 1.186 2.300 1.00 0.00 C ATOM 329 O THR A 21 -10.037 1.941 2.512 1.00 0.00 O ATOM 330 CB THR A 21 -8.090 0.165 4.446 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.607 -0.544 5.555 1.00 0.00 O ATOM 332 CG2 THR A 21 -7.819 1.635 4.783 1.00 0.00 C ATOM 0 H THR A 21 -7.267 -1.244 2.750 1.00 0.00 H new ATOM 0 HA THR A 21 -9.926 -0.378 3.440 1.00 0.00 H new ATOM 0 HB THR A 21 -7.108 -0.245 4.210 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.796 0.082 6.285 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.233 1.696 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.265 2.099 3.967 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.766 2.157 4.922 1.00 0.00 H new ATOM 340 N ILE A 22 -8.217 1.418 1.322 1.00 0.00 N ATOM 341 CA ILE A 22 -8.217 2.536 0.384 1.00 0.00 C ATOM 342 C ILE A 22 -9.142 2.189 -0.770 1.00 0.00 C ATOM 343 O ILE A 22 -10.047 2.954 -1.090 1.00 0.00 O ATOM 344 CB ILE A 22 -6.811 2.846 -0.177 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.706 2.618 0.857 1.00 0.00 C ATOM 346 CG2 ILE A 22 -6.796 4.277 -0.704 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.414 3.370 0.615 1.00 0.00 C ATOM 0 H ILE A 22 -7.436 0.784 1.154 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.553 3.423 0.920 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.602 2.153 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.089 2.898 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.483 1.552 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.808 4.508 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.540 4.382 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.029 4.966 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.702 3.135 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.996 3.075 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.612 4.442 0.612 1.00 0.00 H new ATOM 359 N CYS A 23 -8.965 0.992 -1.335 1.00 0.00 N ATOM 360 CA CYS A 23 -9.947 0.383 -2.204 1.00 0.00 C ATOM 361 C CYS A 23 -11.279 0.204 -1.465 1.00 0.00 C ATOM 362 O CYS A 23 -12.271 -0.059 -2.142 1.00 0.00 O ATOM 363 CB CYS A 23 -9.438 -0.959 -2.764 1.00 0.00 C ATOM 364 SG CYS A 23 -7.786 -0.794 -3.507 1.00 0.00 S ATOM 0 H CYS A 23 -8.129 0.424 -1.195 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.113 1.050 -3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.405 -1.698 -1.964 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.138 -1.330 -3.512 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.914 -0.546 -2.575 1.00 0.00 H new ATOM 370 N ASN A 24 -11.321 0.353 -0.123 1.00 0.00 N ATOM 371 CA ASN A 24 -12.618 0.261 0.586 1.00 0.00 C ATOM 372 C ASN A 24 -13.185 1.614 1.014 1.00 0.00 C ATOM 373 O ASN A 24 -14.402 1.726 1.126 1.00 0.00 O ATOM 374 CB ASN A 24 -12.574 -0.709 1.777 1.00 0.00 C ATOM 375 CG ASN A 24 -13.958 -0.969 2.371 1.00 0.00 C ATOM 376 OD1 ASN A 24 -14.665 -1.874 1.945 1.00 0.00 O ATOM 377 ND2 ASN A 24 -14.370 -0.228 3.386 1.00 0.00 N ATOM 0 H ASN A 24 -10.511 0.530 0.471 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.305 -0.146 -0.156 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.137 -1.654 1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.921 -0.302 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.277 -0.410 3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.780 0.525 3.740 1.00 0.00 H new ATOM 384 N ALA A 25 -12.341 2.626 1.272 1.00 0.00 N ATOM 385 CA ALA A 25 -12.702 3.862 1.983 1.00 0.00 C ATOM 386 C ALA A 25 -13.360 3.488 3.323 1.00 0.00 C ATOM 387 O ALA A 25 -14.304 4.113 3.789 1.00 0.00 O ATOM 388 CB ALA A 25 -13.598 4.717 1.060 1.00 0.00 C ATOM 0 H ALA A 25 -11.363 2.606 0.984 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.829 4.469 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.875 5.638 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.054 4.959 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.499 4.158 0.807 1.00 0.00 H new ATOM 394 N ASP A 26 -12.742 2.502 3.978 1.00 0.00 N ATOM 395 CA ASP A 26 -12.846 2.020 5.372 1.00 0.00 C ATOM 396 C ASP A 26 -12.741 3.100 6.455 1.00 0.00 C ATOM 397 O ASP A 26 -12.994 2.906 7.639 1.00 0.00 O ATOM 398 CB ASP A 26 -11.651 1.084 5.463 1.00 0.00 C ATOM 399 CG ASP A 26 -11.256 0.569 6.850 1.00 0.00 C ATOM 400 OD1 ASP A 26 -12.020 -0.229 7.429 1.00 0.00 O ATOM 401 OD2 ASP A 26 -10.095 0.874 7.231 1.00 0.00 O ATOM 0 H ASP A 26 -12.057 1.938 3.475 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.826 1.580 5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.852 0.220 4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.789 1.598 5.038 1.00 0.00 H new ATOM 406 N THR A 27 -12.322 4.250 5.983 1.00 0.00 N ATOM 407 CA THR A 27 -11.710 5.323 6.719 1.00 0.00 C ATOM 408 C THR A 27 -12.627 6.390 7.279 1.00 0.00 C ATOM 409 O THR A 27 -13.853 6.321 7.208 1.00 0.00 O ATOM 410 CB THR A 27 -10.567 5.874 5.881 1.00 0.00 C ATOM 411 OG1 THR A 27 -10.981 6.930 5.036 1.00 0.00 O ATOM 412 CG2 THR A 27 -9.801 4.869 5.047 1.00 0.00 C ATOM 0 H THR A 27 -12.409 4.474 4.992 1.00 0.00 H new ATOM 0 HA THR A 27 -11.335 4.893 7.648 1.00 0.00 H new ATOM 0 HB THR A 27 -9.878 6.232 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.888 6.751 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.012 5.380 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.358 4.117 5.700 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.480 4.385 4.345 1.00 0.00 H new ATOM 420 N SER A 28 -11.972 7.427 7.803 1.00 0.00 N ATOM 421 CA SER A 28 -12.596 8.660 8.193 1.00 0.00 C ATOM 422 C SER A 28 -13.470 9.267 7.129 1.00 0.00 C ATOM 423 O SER A 28 -14.414 9.957 7.514 1.00 0.00 O ATOM 424 CB SER A 28 -11.536 9.647 8.627 1.00 0.00 C ATOM 425 OG SER A 28 -10.559 9.867 7.646 1.00 0.00 O ATOM 0 H SER A 28 -10.965 7.417 7.966 1.00 0.00 H new ATOM 0 HA SER A 28 -13.262 8.423 9.023 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.011 10.595 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.056 9.281 9.535 1.00 0.00 H new ATOM 0 HG SER A 28 -9.848 10.432 8.014 1.00 0.00 H new ATOM 431 N SER A 29 -13.151 8.991 5.855 1.00 0.00 N ATOM 432 CA SER A 29 -14.110 9.099 4.724 1.00 0.00 C ATOM 433 C SER A 29 -13.557 9.337 3.352 1.00 0.00 C ATOM 434 O SER A 29 -14.072 8.836 2.357 1.00 0.00 O ATOM 435 CB SER A 29 -15.241 10.132 4.883 1.00 0.00 C ATOM 436 OG SER A 29 -14.778 11.383 5.357 1.00 0.00 O ATOM 0 H SER A 29 -12.220 8.685 5.570 1.00 0.00 H new ATOM 0 HA SER A 29 -14.487 8.079 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.736 10.273 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.989 9.742 5.573 1.00 0.00 H new ATOM 0 HG SER A 29 -14.644 11.336 6.327 1.00 0.00 H new ATOM 442 N GLU A 30 -12.509 10.120 3.345 1.00 0.00 N ATOM 443 CA GLU A 30 -11.821 10.567 2.143 1.00 0.00 C ATOM 444 C GLU A 30 -10.383 11.020 2.431 1.00 0.00 C ATOM 445 O GLU A 30 -9.546 11.267 1.570 1.00 0.00 O ATOM 446 CB GLU A 30 -12.658 11.698 1.502 1.00 0.00 C ATOM 447 CG GLU A 30 -12.273 12.086 0.065 1.00 0.00 C ATOM 448 CD GLU A 30 -13.193 13.188 -0.485 1.00 0.00 C ATOM 449 OE1 GLU A 30 -12.984 14.366 -0.111 1.00 0.00 O ATOM 450 OE2 GLU A 30 -14.098 12.855 -1.286 1.00 0.00 O ATOM 0 H GLU A 30 -12.090 10.481 4.202 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.731 9.732 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.706 11.397 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.578 12.584 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.239 12.430 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.330 11.208 -0.578 1.00 0.00 H new ATOM 457 N GLU A 31 -10.056 10.950 3.704 1.00 0.00 N ATOM 458 CA GLU A 31 -9.013 11.667 4.369 1.00 0.00 C ATOM 459 C GLU A 31 -7.864 10.810 4.802 1.00 0.00 C ATOM 460 O GLU A 31 -6.760 10.897 4.279 1.00 0.00 O ATOM 461 CB GLU A 31 -9.779 12.294 5.462 1.00 0.00 C ATOM 462 CG GLU A 31 -9.135 13.376 6.311 1.00 0.00 C ATOM 463 CD GLU A 31 -9.454 13.221 7.808 1.00 0.00 C ATOM 464 OE1 GLU A 31 -9.425 12.061 8.294 1.00 0.00 O ATOM 465 OE2 GLU A 31 -9.710 14.251 8.466 1.00 0.00 O ATOM 0 H GLU A 31 -10.561 10.337 4.344 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.481 12.384 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.682 12.719 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.096 11.498 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.055 13.349 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.478 14.353 5.969 1.00 0.00 H new ATOM 472 N GLU A 32 -8.209 9.911 5.705 1.00 0.00 N ATOM 473 CA GLU A 32 -7.476 8.717 5.957 1.00 0.00 C ATOM 474 C GLU A 32 -7.250 8.079 4.607 1.00 0.00 C ATOM 475 O GLU A 32 -6.206 7.528 4.409 1.00 0.00 O ATOM 476 CB GLU A 32 -8.242 7.769 6.792 1.00 0.00 C ATOM 477 CG GLU A 32 -7.949 7.682 8.279 1.00 0.00 C ATOM 478 CD GLU A 32 -7.507 6.274 8.680 1.00 0.00 C ATOM 479 OE1 GLU A 32 -8.380 5.418 8.931 1.00 0.00 O ATOM 480 OE2 GLU A 32 -6.278 6.011 8.693 1.00 0.00 O ATOM 0 H GLU A 32 -9.036 10.009 6.294 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.552 8.953 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.298 8.014 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.100 6.773 6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.169 8.398 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.839 7.960 8.843 1.00 0.00 H new ATOM 487 N LEU A 33 -8.179 8.162 3.665 1.00 0.00 N ATOM 488 CA LEU A 33 -7.998 7.621 2.339 1.00 0.00 C ATOM 489 C LEU A 33 -6.796 8.237 1.642 1.00 0.00 C ATOM 490 O LEU A 33 -5.860 7.513 1.335 1.00 0.00 O ATOM 491 CB LEU A 33 -9.290 7.838 1.572 1.00 0.00 C ATOM 492 CG LEU A 33 -10.179 6.625 1.826 1.00 0.00 C ATOM 493 CD1 LEU A 33 -11.599 7.104 2.039 1.00 0.00 C ATOM 494 CD2 LEU A 33 -10.007 5.691 0.625 1.00 0.00 C ATOM 0 H LEU A 33 -9.084 8.611 3.807 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.783 6.554 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.784 8.752 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.090 7.951 0.507 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.910 6.069 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.248 6.248 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.632 7.775 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.941 7.635 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.627 4.805 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.310 6.209 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.962 5.394 0.542 1.00 0.00 H new ATOM 506 N VAL A 34 -6.763 9.556 1.458 1.00 0.00 N ATOM 507 CA VAL A 34 -5.607 10.285 0.920 1.00 0.00 C ATOM 508 C VAL A 34 -4.341 10.035 1.743 1.00 0.00 C ATOM 509 O VAL A 34 -3.219 10.049 1.232 1.00 0.00 O ATOM 510 CB VAL A 34 -5.961 11.763 0.824 1.00 0.00 C ATOM 511 CG1 VAL A 34 -4.786 12.752 0.754 1.00 0.00 C ATOM 512 CG2 VAL A 34 -6.864 11.999 -0.385 1.00 0.00 C ATOM 0 H VAL A 34 -7.552 10.163 1.682 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.378 9.915 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.457 11.974 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.171 13.770 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.173 12.653 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.180 12.536 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.115 13.058 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.344 11.693 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.778 11.415 -0.276 1.00 0.00 H new ATOM 522 N LYS A 35 -4.511 9.783 3.031 1.00 0.00 N ATOM 523 CA LYS A 35 -3.446 9.539 3.971 1.00 0.00 C ATOM 524 C LYS A 35 -2.960 8.123 3.810 1.00 0.00 C ATOM 525 O LYS A 35 -1.773 7.926 3.959 1.00 0.00 O ATOM 526 CB LYS A 35 -3.964 9.876 5.355 1.00 0.00 C ATOM 527 CG LYS A 35 -3.150 9.221 6.459 1.00 0.00 C ATOM 528 CD LYS A 35 -3.822 9.569 7.785 1.00 0.00 C ATOM 529 CE LYS A 35 -3.472 8.708 9.018 1.00 0.00 C ATOM 530 NZ LYS A 35 -3.911 7.285 8.948 1.00 0.00 N ATOM 0 H LYS A 35 -5.435 9.743 3.460 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.575 10.170 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.950 10.957 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.003 9.558 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.112 8.141 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.121 9.581 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.580 10.605 8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.901 9.519 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.392 8.731 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.920 9.166 9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.474 6.748 9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.946 7.237 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.619 6.876 8.038 1.00 0.00 H new ATOM 544 N LEU A 36 -3.803 7.138 3.537 1.00 0.00 N ATOM 545 CA LEU A 36 -3.443 5.770 3.335 1.00 0.00 C ATOM 546 C LEU A 36 -2.830 5.680 1.963 1.00 0.00 C ATOM 547 O LEU A 36 -1.886 4.916 1.792 1.00 0.00 O ATOM 548 CB LEU A 36 -4.733 4.953 3.577 1.00 0.00 C ATOM 549 CG LEU A 36 -4.950 4.895 5.097 1.00 0.00 C ATOM 550 CD1 LEU A 36 -6.254 4.270 5.510 1.00 0.00 C ATOM 551 CD2 LEU A 36 -3.795 4.487 5.987 1.00 0.00 C ATOM 0 H LEU A 36 -4.807 7.296 3.449 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.693 5.362 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.584 5.422 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.637 3.949 3.163 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.011 5.963 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.328 4.268 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.081 4.843 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.299 3.245 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.117 4.498 7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.466 3.483 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.969 5.186 5.855 1.00 0.00 H new ATOM 563 N VAL A 37 -3.299 6.529 1.043 1.00 0.00 N ATOM 564 CA VAL A 37 -2.736 6.629 -0.288 1.00 0.00 C ATOM 565 C VAL A 37 -1.272 7.014 -0.101 1.00 0.00 C ATOM 566 O VAL A 37 -0.360 6.308 -0.488 1.00 0.00 O ATOM 567 CB VAL A 37 -3.557 7.652 -1.115 1.00 0.00 C ATOM 568 CG1 VAL A 37 -2.811 8.419 -2.211 1.00 0.00 C ATOM 569 CG2 VAL A 37 -4.783 6.989 -1.735 1.00 0.00 C ATOM 0 H VAL A 37 -4.081 7.163 1.210 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.782 5.696 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.826 8.402 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.499 9.100 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.996 8.990 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.406 7.714 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.343 7.726 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.466 6.180 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.417 6.587 -0.945 1.00 0.00 H new ATOM 579 N THR A 38 -1.054 8.107 0.606 1.00 0.00 N ATOM 580 CA THR A 38 0.230 8.740 0.806 1.00 0.00 C ATOM 581 C THR A 38 1.087 7.965 1.791 1.00 0.00 C ATOM 582 O THR A 38 2.301 8.010 1.674 1.00 0.00 O ATOM 583 CB THR A 38 0.020 10.164 1.171 1.00 0.00 C ATOM 584 OG1 THR A 38 -0.807 10.868 0.262 1.00 0.00 O ATOM 585 CG2 THR A 38 1.268 10.983 1.513 1.00 0.00 C ATOM 0 H THR A 38 -1.810 8.601 1.080 1.00 0.00 H new ATOM 0 HA THR A 38 0.801 8.727 -0.122 1.00 0.00 H new ATOM 0 HB THR A 38 -0.511 10.060 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.740 10.599 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.977 12.004 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.776 10.533 2.366 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.941 10.996 0.656 1.00 0.00 H new ATOM 593 N HIS A 39 0.481 7.233 2.729 1.00 0.00 N ATOM 594 CA HIS A 39 1.214 6.361 3.614 1.00 0.00 C ATOM 595 C HIS A 39 1.825 5.252 2.790 1.00 0.00 C ATOM 596 O HIS A 39 2.945 4.863 3.074 1.00 0.00 O ATOM 597 CB HIS A 39 0.403 5.737 4.736 1.00 0.00 C ATOM 598 CG HIS A 39 1.333 5.251 5.824 1.00 0.00 C ATOM 599 ND1 HIS A 39 2.192 6.037 6.560 1.00 0.00 N ATOM 600 CD2 HIS A 39 1.452 3.971 6.288 1.00 0.00 C ATOM 601 CE1 HIS A 39 2.744 5.269 7.507 1.00 0.00 C ATOM 602 NE2 HIS A 39 2.285 4.005 7.415 1.00 0.00 N ATOM 0 H HIS A 39 -0.527 7.236 2.886 1.00 0.00 H new ATOM 0 HA HIS A 39 1.957 6.991 4.103 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.297 6.467 5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.189 4.906 4.352 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.375 7.029 6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.988 3.093 5.863 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.457 5.614 8.242 1.00 0.00 H new ATOM 610 N PHE A 40 1.130 4.747 1.766 1.00 0.00 N ATOM 611 CA PHE A 40 1.766 3.776 0.880 1.00 0.00 C ATOM 612 C PHE A 40 3.019 4.444 0.313 1.00 0.00 C ATOM 613 O PHE A 40 4.127 3.916 0.407 1.00 0.00 O ATOM 614 CB PHE A 40 0.783 3.323 -0.202 1.00 0.00 C ATOM 615 CG PHE A 40 1.220 2.131 -1.027 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.385 2.173 -1.814 1.00 0.00 C ATOM 617 CD2 PHE A 40 0.400 0.994 -1.073 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.697 1.105 -2.663 1.00 0.00 C ATOM 619 CE2 PHE A 40 0.701 -0.070 -1.946 1.00 0.00 C ATOM 620 CZ PHE A 40 1.854 -0.016 -2.737 1.00 0.00 C ATOM 0 H PHE A 40 0.165 4.984 1.538 1.00 0.00 H new ATOM 0 HA PHE A 40 2.057 2.869 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.168 3.084 0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.601 4.161 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.040 3.030 -1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.469 0.934 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.592 1.143 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.044 -0.925 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.095 -0.833 -3.401 1.00 0.00 H new ATOM 630 N GLU A 41 2.845 5.670 -0.158 1.00 0.00 N ATOM 631 CA GLU A 41 3.901 6.481 -0.758 1.00 0.00 C ATOM 632 C GLU A 41 5.050 6.827 0.191 1.00 0.00 C ATOM 633 O GLU A 41 6.171 7.121 -0.225 1.00 0.00 O ATOM 634 CB GLU A 41 3.374 7.574 -1.638 1.00 0.00 C ATOM 635 CG GLU A 41 2.304 6.976 -2.509 1.00 0.00 C ATOM 636 CD GLU A 41 2.572 5.598 -3.139 1.00 0.00 C ATOM 637 OE1 GLU A 41 3.686 5.365 -3.669 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.639 4.775 -3.105 1.00 0.00 O ATOM 0 H GLU A 41 1.942 6.143 -0.134 1.00 0.00 H new ATOM 0 HA GLU A 41 4.420 5.839 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.969 8.388 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.174 7.995 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.393 6.900 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.100 7.679 -3.317 1.00 0.00 H new ATOM 645 N GLU A 42 4.778 6.700 1.484 1.00 0.00 N ATOM 646 CA GLU A 42 5.677 6.863 2.592 1.00 0.00 C ATOM 647 C GLU A 42 6.487 5.585 2.782 1.00 0.00 C ATOM 648 O GLU A 42 7.713 5.572 2.889 1.00 0.00 O ATOM 649 CB GLU A 42 4.862 7.212 3.809 1.00 0.00 C ATOM 650 CG GLU A 42 5.339 8.277 4.774 1.00 0.00 C ATOM 651 CD GLU A 42 4.520 8.234 6.075 1.00 0.00 C ATOM 652 OE1 GLU A 42 3.297 8.509 6.023 1.00 0.00 O ATOM 653 OE2 GLU A 42 5.091 7.880 7.129 1.00 0.00 O ATOM 0 H GLU A 42 3.838 6.459 1.798 1.00 0.00 H new ATOM 0 HA GLU A 42 6.389 7.668 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.875 7.514 3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.730 6.294 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.395 8.126 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.248 9.260 4.313 1.00 0.00 H new ATOM 660 N MET A 43 5.736 4.491 2.848 1.00 0.00 N ATOM 661 CA MET A 43 6.126 3.236 3.431 1.00 0.00 C ATOM 662 C MET A 43 7.229 2.575 2.667 1.00 0.00 C ATOM 663 O MET A 43 8.122 1.945 3.240 1.00 0.00 O ATOM 664 CB MET A 43 4.934 2.289 3.391 1.00 0.00 C ATOM 665 CG MET A 43 3.988 2.574 4.520 1.00 0.00 C ATOM 666 SD MET A 43 4.374 1.874 6.127 1.00 0.00 S ATOM 667 CE MET A 43 5.289 3.277 6.842 1.00 0.00 C ATOM 0 H MET A 43 4.788 4.467 2.472 1.00 0.00 H new ATOM 0 HA MET A 43 6.467 3.441 4.446 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.413 2.393 2.439 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.281 1.258 3.453 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.917 3.656 4.633 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.000 2.219 4.228 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.989 3.415 7.881 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.359 3.074 6.797 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.067 4.182 6.277 1.00 0.00 H new ATOM 677 N THR A 44 7.047 2.596 1.355 1.00 0.00 N ATOM 678 CA THR A 44 7.715 1.668 0.491 1.00 0.00 C ATOM 679 C THR A 44 8.662 2.405 -0.456 1.00 0.00 C ATOM 680 O THR A 44 9.380 1.719 -1.191 1.00 0.00 O ATOM 681 CB THR A 44 6.690 0.713 -0.155 1.00 0.00 C ATOM 682 OG1 THR A 44 7.256 -0.031 -1.210 1.00 0.00 O ATOM 683 CG2 THR A 44 5.387 1.368 -0.581 1.00 0.00 C ATOM 0 H THR A 44 6.435 3.255 0.874 1.00 0.00 H new ATOM 0 HA THR A 44 8.375 1.008 1.054 1.00 0.00 H new ATOM 0 HB THR A 44 6.416 0.027 0.646 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.159 0.300 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.731 0.619 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.900 1.809 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.594 2.147 -1.314 1.00 0.00 H new ATOM 691 N GLU A 45 8.691 3.749 -0.434 1.00 0.00 N ATOM 692 CA GLU A 45 9.467 4.589 -1.350 1.00 0.00 C ATOM 693 C GLU A 45 9.271 4.096 -2.789 1.00 0.00 C ATOM 694 O GLU A 45 10.235 3.896 -3.525 1.00 0.00 O ATOM 695 CB GLU A 45 10.915 4.633 -0.847 1.00 0.00 C ATOM 696 CG GLU A 45 11.898 5.574 -1.575 1.00 0.00 C ATOM 697 CD GLU A 45 13.249 4.866 -1.717 1.00 0.00 C ATOM 698 OE1 GLU A 45 13.830 4.471 -0.679 1.00 0.00 O ATOM 699 OE2 GLU A 45 13.602 4.430 -2.838 1.00 0.00 O ATOM 0 H GLU A 45 8.157 4.293 0.244 1.00 0.00 H new ATOM 0 HA GLU A 45 9.124 5.624 -1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.896 4.916 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.319 3.622 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.507 5.841 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.016 6.502 -1.016 1.00 0.00 H new ATOM 706 N HIS A 46 8.026 3.763 -3.148 1.00 0.00 N ATOM 707 CA HIS A 46 7.767 3.070 -4.392 1.00 0.00 C ATOM 708 C HIS A 46 7.563 4.097 -5.522 1.00 0.00 C ATOM 709 O HIS A 46 6.883 5.098 -5.330 1.00 0.00 O ATOM 710 CB HIS A 46 6.586 2.099 -4.249 1.00 0.00 C ATOM 711 CG HIS A 46 6.289 1.406 -5.558 1.00 0.00 C ATOM 712 ND1 HIS A 46 5.515 1.939 -6.557 1.00 0.00 N ATOM 713 CD2 HIS A 46 6.860 0.264 -6.058 1.00 0.00 C ATOM 714 CE1 HIS A 46 5.628 1.141 -7.635 1.00 0.00 C ATOM 715 NE2 HIS A 46 6.440 0.108 -7.375 1.00 0.00 N ATOM 0 H HIS A 46 7.195 3.965 -2.592 1.00 0.00 H new ATOM 0 HA HIS A 46 8.630 2.457 -4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.813 1.356 -3.484 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.703 2.643 -3.913 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.522 -0.400 -5.522 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.132 1.310 -8.579 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.699 -0.643 -8.015 1.00 0.00 H new ATOM 723 N PRO A 47 8.094 3.825 -6.723 1.00 0.00 N ATOM 724 CA PRO A 47 7.880 4.592 -7.950 1.00 0.00 C ATOM 725 C PRO A 47 6.482 5.129 -8.272 1.00 0.00 C ATOM 726 O PRO A 47 6.317 6.316 -8.537 1.00 0.00 O ATOM 727 CB PRO A 47 8.271 3.609 -9.057 1.00 0.00 C ATOM 728 CG PRO A 47 9.406 2.825 -8.425 1.00 0.00 C ATOM 729 CD PRO A 47 9.039 2.745 -6.976 1.00 0.00 C ATOM 0 HA PRO A 47 8.456 5.511 -7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.439 2.962 -9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.591 4.125 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.499 1.833 -8.867 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.363 3.327 -8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.593 1.778 -6.743 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.923 2.849 -6.347 1.00 0.00 H new ATOM 737 N SER A 48 5.512 4.224 -8.356 1.00 0.00 N ATOM 738 CA SER A 48 4.268 4.424 -9.070 1.00 0.00 C ATOM 739 C SER A 48 3.053 4.735 -8.208 1.00 0.00 C ATOM 740 O SER A 48 2.001 4.276 -8.545 1.00 0.00 O ATOM 741 CB SER A 48 4.025 3.253 -10.037 1.00 0.00 C ATOM 742 OG SER A 48 5.218 2.738 -10.611 1.00 0.00 O ATOM 0 H SER A 48 5.577 3.307 -7.914 1.00 0.00 H new ATOM 0 HA SER A 48 4.397 5.344 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.512 2.452 -9.504 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.360 3.583 -10.835 1.00 0.00 H new ATOM 0 HG SER A 48 4.998 1.997 -11.213 1.00 0.00 H new ATOM 748 N GLY A 49 3.153 5.434 -7.096 1.00 0.00 N ATOM 749 CA GLY A 49 2.104 5.750 -6.126 1.00 0.00 C ATOM 750 C GLY A 49 0.687 5.837 -6.690 1.00 0.00 C ATOM 751 O GLY A 49 -0.156 4.980 -6.441 1.00 0.00 O ATOM 0 H GLY A 49 4.048 5.835 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.118 4.992 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.346 6.702 -5.653 1.00 0.00 H new ATOM 755 N SER A 50 0.417 6.831 -7.524 1.00 0.00 N ATOM 756 CA SER A 50 -0.904 7.046 -8.133 1.00 0.00 C ATOM 757 C SER A 50 -1.328 5.946 -9.128 1.00 0.00 C ATOM 758 O SER A 50 -2.461 5.923 -9.621 1.00 0.00 O ATOM 759 CB SER A 50 -0.875 8.414 -8.835 1.00 0.00 C ATOM 760 OG SER A 50 0.365 8.671 -9.480 1.00 0.00 O ATOM 0 H SER A 50 1.111 7.523 -7.805 1.00 0.00 H new ATOM 0 HA SER A 50 -1.648 7.011 -7.337 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.679 8.458 -9.570 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.069 9.198 -8.103 1.00 0.00 H new ATOM 0 HG SER A 50 0.590 7.920 -10.067 1.00 0.00 H new ATOM 766 N ASP A 51 -0.459 4.979 -9.378 1.00 0.00 N ATOM 767 CA ASP A 51 -0.379 4.107 -10.506 1.00 0.00 C ATOM 768 C ASP A 51 -0.051 2.715 -9.970 1.00 0.00 C ATOM 769 O ASP A 51 0.056 1.804 -10.782 1.00 0.00 O ATOM 770 CB ASP A 51 0.699 4.631 -11.469 1.00 0.00 C ATOM 771 CG ASP A 51 0.347 5.968 -12.134 1.00 0.00 C ATOM 772 OD1 ASP A 51 0.498 7.014 -11.455 1.00 0.00 O ATOM 773 OD2 ASP A 51 -0.044 5.952 -13.319 1.00 0.00 O ATOM 0 H ASP A 51 0.285 4.776 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.314 4.064 -11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.635 4.744 -10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.871 3.885 -12.245 1.00 0.00 H new ATOM 778 N LEU A 52 0.106 2.499 -8.641 1.00 0.00 N ATOM 779 CA LEU A 52 -0.057 1.185 -8.110 1.00 0.00 C ATOM 780 C LEU A 52 -1.159 1.333 -7.102 1.00 0.00 C ATOM 781 O LEU A 52 -1.175 0.620 -6.115 1.00 0.00 O ATOM 782 CB LEU A 52 1.173 0.528 -7.542 1.00 0.00 C ATOM 783 CG LEU A 52 2.197 1.307 -6.738 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.709 2.183 -5.611 1.00 0.00 C ATOM 785 CD2 LEU A 52 3.008 0.217 -6.081 1.00 0.00 C ATOM 0 H LEU A 52 0.340 3.219 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.292 0.490 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.829 -0.289 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.706 0.079 -8.380 1.00 0.00 H new ATOM 0 HG LEU A 52 2.683 1.998 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.559 2.671 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.030 2.939 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.184 1.572 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.789 0.665 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.358 -0.393 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.464 -0.409 -6.848 1.00 0.00 H new ATOM 797 N ILE A 53 -2.058 2.293 -7.312 1.00 0.00 N ATOM 798 CA ILE A 53 -3.183 2.478 -6.477 1.00 0.00 C ATOM 799 C ILE A 53 -4.427 2.618 -7.364 1.00 0.00 C ATOM 800 O ILE A 53 -5.419 1.953 -7.073 1.00 0.00 O ATOM 801 CB ILE A 53 -2.872 3.576 -5.468 1.00 0.00 C ATOM 802 CG1 ILE A 53 -1.824 3.051 -4.459 1.00 0.00 C ATOM 803 CG2 ILE A 53 -4.151 3.961 -4.751 1.00 0.00 C ATOM 804 CD1 ILE A 53 -2.261 1.932 -3.576 1.00 0.00 C ATOM 0 H ILE A 53 -2.001 2.958 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.420 1.624 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.469 4.454 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.946 2.724 -5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.510 3.882 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.939 4.747 -4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.880 4.323 -5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.555 3.090 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.443 1.651 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.117 2.251 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.544 1.075 -4.187 1.00 0.00 H new ATOM 816 N TYR A 54 -4.387 3.412 -8.458 1.00 0.00 N ATOM 817 CA TYR A 54 -5.590 3.652 -9.272 1.00 0.00 C ATOM 818 C TYR A 54 -5.437 3.686 -10.801 1.00 0.00 C ATOM 819 O TYR A 54 -6.411 3.347 -11.476 1.00 0.00 O ATOM 820 CB TYR A 54 -6.227 4.977 -8.893 1.00 0.00 C ATOM 821 CG TYR A 54 -6.490 5.235 -7.415 1.00 0.00 C ATOM 822 CD1 TYR A 54 -7.273 4.339 -6.657 1.00 0.00 C ATOM 823 CD2 TYR A 54 -5.905 6.346 -6.774 1.00 0.00 C ATOM 824 CE1 TYR A 54 -7.600 4.619 -5.320 1.00 0.00 C ATOM 825 CE2 TYR A 54 -6.132 6.566 -5.401 1.00 0.00 C ATOM 826 CZ TYR A 54 -7.045 5.754 -4.693 1.00 0.00 C ATOM 827 OH TYR A 54 -7.333 6.034 -3.395 1.00 0.00 O ATOM 0 H TYR A 54 -3.548 3.888 -8.790 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.189 2.771 -9.041 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.586 5.777 -9.265 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.176 5.057 -9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.626 3.425 -7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.283 7.028 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.271 3.970 -4.776 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.606 7.358 -4.888 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.231 5.704 -3.181 1.00 0.00 H new ATOM 837 N TYR A 55 -4.287 4.068 -11.383 1.00 0.00 N ATOM 838 CA TYR A 55 -4.093 3.762 -12.806 1.00 0.00 C ATOM 839 C TYR A 55 -3.910 2.266 -13.153 1.00 0.00 C ATOM 840 O TYR A 55 -4.318 1.916 -14.265 1.00 0.00 O ATOM 841 CB TYR A 55 -2.997 4.603 -13.486 1.00 0.00 C ATOM 842 CG TYR A 55 -3.191 4.606 -15.001 1.00 0.00 C ATOM 843 CD1 TYR A 55 -4.156 5.456 -15.579 1.00 0.00 C ATOM 844 CD2 TYR A 55 -2.563 3.631 -15.804 1.00 0.00 C ATOM 845 CE1 TYR A 55 -4.537 5.290 -16.924 1.00 0.00 C ATOM 846 CE2 TYR A 55 -2.962 3.436 -17.140 1.00 0.00 C ATOM 847 CZ TYR A 55 -3.964 4.257 -17.700 1.00 0.00 C ATOM 848 OH TYR A 55 -4.478 3.994 -18.933 1.00 0.00 O ATOM 0 H TYR A 55 -3.521 4.560 -10.922 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.056 4.055 -13.224 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.026 5.625 -13.107 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.015 4.200 -13.240 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.606 6.239 -14.986 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.768 3.028 -15.390 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.268 5.953 -17.363 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.503 2.660 -17.735 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.191 3.103 -19.224 1.00 0.00 H new ATOM 858 N PRO A 56 -3.336 1.383 -12.305 1.00 0.00 N ATOM 859 CA PRO A 56 -3.054 -0.002 -12.668 1.00 0.00 C ATOM 860 C PRO A 56 -4.425 -0.671 -12.811 1.00 0.00 C ATOM 861 O PRO A 56 -5.334 -0.433 -12.010 1.00 0.00 O ATOM 862 CB PRO A 56 -2.159 -0.516 -11.544 1.00 0.00 C ATOM 863 CG PRO A 56 -2.841 0.129 -10.347 1.00 0.00 C ATOM 864 CD PRO A 56 -3.221 1.490 -10.864 1.00 0.00 C ATOM 0 HA PRO A 56 -2.527 -0.186 -13.604 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.151 -1.604 -11.482 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.123 -0.195 -11.656 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.714 -0.439 -10.026 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.172 0.196 -9.489 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.163 1.819 -10.426 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.468 2.229 -10.592 1.00 0.00 H new ATOM 872 N LYS A 57 -4.602 -1.436 -13.884 1.00 0.00 N ATOM 873 CA LYS A 57 -5.931 -1.751 -14.419 1.00 0.00 C ATOM 874 C LYS A 57 -5.945 -2.583 -15.687 1.00 0.00 C ATOM 875 O LYS A 57 -6.869 -3.322 -16.016 1.00 0.00 O ATOM 876 CB LYS A 57 -6.447 -0.368 -14.782 1.00 0.00 C ATOM 877 CG LYS A 57 -7.557 -0.374 -15.807 1.00 0.00 C ATOM 878 CD LYS A 57 -8.193 0.991 -15.718 1.00 0.00 C ATOM 879 CE LYS A 57 -7.288 2.224 -15.998 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.118 1.983 -16.885 1.00 0.00 N ATOM 0 H LYS A 57 -3.834 -1.856 -14.408 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.498 -2.337 -13.696 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.805 0.124 -13.877 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.618 0.229 -15.163 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.167 -0.561 -16.807 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.282 -1.160 -15.596 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.027 1.020 -16.419 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.613 1.102 -14.718 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.902 3.007 -16.443 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.924 2.607 -15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.883 2.858 -17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.303 1.687 -16.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.350 1.235 -17.570 1.00 0.00 H new ATOM 894 N GLU A 58 -4.936 -2.285 -16.469 1.00 0.00 N ATOM 895 CA GLU A 58 -4.809 -2.491 -17.904 1.00 0.00 C ATOM 896 C GLU A 58 -4.679 -3.854 -18.523 1.00 0.00 C ATOM 897 O GLU A 58 -4.428 -4.060 -19.714 1.00 0.00 O ATOM 898 CB GLU A 58 -3.781 -1.563 -18.431 1.00 0.00 C ATOM 899 CG GLU A 58 -4.238 -0.942 -19.751 1.00 0.00 C ATOM 900 CD GLU A 58 -4.956 0.397 -19.490 1.00 0.00 C ATOM 901 OE1 GLU A 58 -6.141 0.378 -19.080 1.00 0.00 O ATOM 902 OE2 GLU A 58 -4.334 1.479 -19.602 1.00 0.00 O ATOM 0 H GLU A 58 -4.098 -1.849 -16.085 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.830 -2.286 -18.226 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.586 -0.777 -17.702 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.843 -2.098 -18.581 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.379 -0.781 -20.402 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.908 -1.627 -20.271 1.00 0.00 H new ATOM 909 N GLY A 59 -4.923 -4.771 -17.652 1.00 0.00 N ATOM 910 CA GLY A 59 -4.437 -6.100 -17.807 1.00 0.00 C ATOM 911 C GLY A 59 -3.266 -6.201 -16.824 1.00 0.00 C ATOM 912 O GLY A 59 -2.529 -7.185 -16.879 1.00 0.00 O ATOM 0 H GLY A 59 -5.470 -4.619 -16.805 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.210 -6.834 -17.579 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.112 -6.286 -18.831 1.00 0.00 H new ATOM 916 N ASP A 60 -3.064 -5.149 -16.001 1.00 0.00 N ATOM 917 CA ASP A 60 -2.094 -5.109 -14.932 1.00 0.00 C ATOM 918 C ASP A 60 -2.363 -6.158 -13.880 1.00 0.00 C ATOM 919 O ASP A 60 -3.249 -7.014 -13.929 1.00 0.00 O ATOM 920 CB ASP A 60 -1.998 -3.681 -14.343 1.00 0.00 C ATOM 921 CG ASP A 60 -1.580 -2.627 -15.364 1.00 0.00 C ATOM 922 OD1 ASP A 60 -0.499 -2.780 -15.970 1.00 0.00 O ATOM 923 OD2 ASP A 60 -2.378 -1.676 -15.534 1.00 0.00 O ATOM 0 H ASP A 60 -3.600 -4.285 -16.082 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.118 -5.357 -15.350 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.965 -3.404 -13.923 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.282 -3.683 -13.521 1.00 0.00 H new ATOM 928 N ASP A 61 -1.441 -6.069 -12.949 1.00 0.00 N ATOM 929 CA ASP A 61 -1.463 -6.723 -11.669 1.00 0.00 C ATOM 930 C ASP A 61 -1.811 -5.632 -10.660 1.00 0.00 C ATOM 931 O ASP A 61 -0.922 -4.939 -10.174 1.00 0.00 O ATOM 932 CB ASP A 61 -0.211 -7.530 -11.395 1.00 0.00 C ATOM 933 CG ASP A 61 -0.150 -8.365 -10.102 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.177 -8.969 -9.713 1.00 0.00 O ATOM 935 OD2 ASP A 61 0.959 -8.494 -9.523 1.00 0.00 O ATOM 0 H ASP A 61 -0.604 -5.501 -13.078 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.218 -7.507 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.061 -8.207 -12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.634 -6.841 -11.386 1.00 0.00 H new ATOM 940 N ASP A 62 -3.096 -5.357 -10.427 1.00 0.00 N ATOM 941 CA ASP A 62 -3.580 -4.174 -9.742 1.00 0.00 C ATOM 942 C ASP A 62 -4.527 -4.760 -8.690 1.00 0.00 C ATOM 943 O ASP A 62 -4.121 -5.295 -7.666 1.00 0.00 O ATOM 944 CB ASP A 62 -4.304 -3.265 -10.771 1.00 0.00 C ATOM 945 CG ASP A 62 -5.436 -3.894 -11.605 1.00 0.00 C ATOM 946 OD1 ASP A 62 -5.130 -4.761 -12.444 1.00 0.00 O ATOM 947 OD2 ASP A 62 -6.617 -3.621 -11.292 1.00 0.00 O ATOM 0 H ASP A 62 -3.848 -5.979 -10.724 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.814 -3.549 -9.284 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.717 -2.412 -10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.555 -2.875 -11.461 1.00 0.00 H new ATOM 952 N SER A 63 -5.814 -4.813 -8.954 1.00 0.00 N ATOM 953 CA SER A 63 -6.870 -5.103 -8.019 1.00 0.00 C ATOM 954 C SER A 63 -6.611 -4.301 -6.722 1.00 0.00 C ATOM 955 O SER A 63 -5.957 -3.262 -6.766 1.00 0.00 O ATOM 956 CB SER A 63 -6.968 -6.627 -7.864 1.00 0.00 C ATOM 957 OG SER A 63 -7.191 -7.239 -9.118 1.00 0.00 O ATOM 0 H SER A 63 -6.171 -4.642 -9.894 1.00 0.00 H new ATOM 0 HA SER A 63 -7.854 -4.782 -8.360 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.049 -7.013 -7.423 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.780 -6.877 -7.181 1.00 0.00 H new ATOM 0 HG SER A 63 -7.249 -8.210 -9.002 1.00 0.00 H new ATOM 963 N PRO A 64 -7.087 -4.731 -5.547 1.00 0.00 N ATOM 964 CA PRO A 64 -6.503 -4.276 -4.288 1.00 0.00 C ATOM 965 C PRO A 64 -5.210 -4.959 -3.870 1.00 0.00 C ATOM 966 O PRO A 64 -4.722 -4.729 -2.771 1.00 0.00 O ATOM 967 CB PRO A 64 -7.564 -4.591 -3.252 1.00 0.00 C ATOM 968 CG PRO A 64 -8.872 -4.466 -4.025 1.00 0.00 C ATOM 969 CD PRO A 64 -8.459 -5.154 -5.322 1.00 0.00 C ATOM 0 HA PRO A 64 -6.232 -3.225 -4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.437 -5.592 -2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.525 -3.894 -2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.702 -4.969 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.172 -3.429 -4.177 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.529 -6.238 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.105 -4.859 -6.149 1.00 0.00 H new ATOM 977 N SER A 65 -4.741 -5.885 -4.688 1.00 0.00 N ATOM 978 CA SER A 65 -3.814 -6.936 -4.344 1.00 0.00 C ATOM 979 C SER A 65 -2.565 -7.081 -5.172 1.00 0.00 C ATOM 980 O SER A 65 -1.486 -7.040 -4.592 1.00 0.00 O ATOM 981 CB SER A 65 -4.629 -8.215 -4.248 1.00 0.00 C ATOM 982 OG SER A 65 -5.605 -8.339 -5.276 1.00 0.00 O ATOM 0 H SER A 65 -5.018 -5.921 -5.669 1.00 0.00 H new ATOM 0 HA SER A 65 -3.356 -6.661 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.955 -9.071 -4.291 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.126 -8.249 -3.279 1.00 0.00 H new ATOM 0 HG SER A 65 -6.095 -9.180 -5.162 1.00 0.00 H new ATOM 988 N GLY A 66 -2.713 -7.248 -6.471 1.00 0.00 N ATOM 989 CA GLY A 66 -1.754 -7.083 -7.520 1.00 0.00 C ATOM 990 C GLY A 66 -1.040 -5.749 -7.398 1.00 0.00 C ATOM 991 O GLY A 66 0.140 -5.688 -7.692 1.00 0.00 O ATOM 0 H GLY A 66 -3.616 -7.536 -6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.026 -7.894 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.253 -7.146 -8.487 1.00 0.00 H new ATOM 995 N ILE A 67 -1.657 -4.702 -6.847 1.00 0.00 N ATOM 996 CA ILE A 67 -0.935 -3.473 -6.589 1.00 0.00 C ATOM 997 C ILE A 67 0.046 -3.507 -5.450 1.00 0.00 C ATOM 998 O ILE A 67 1.174 -3.019 -5.515 1.00 0.00 O ATOM 999 CB ILE A 67 -1.887 -2.308 -6.328 1.00 0.00 C ATOM 1000 CG1 ILE A 67 -2.984 -2.598 -5.305 1.00 0.00 C ATOM 1001 CG2 ILE A 67 -2.427 -1.729 -7.628 1.00 0.00 C ATOM 1002 CD1 ILE A 67 -4.036 -1.469 -5.193 1.00 0.00 C ATOM 0 H ILE A 67 -2.641 -4.687 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.361 -3.341 -7.506 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.282 -1.538 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.486 -3.527 -5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.527 -2.756 -4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.101 -0.902 -7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.598 -1.368 -8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.969 -2.502 -8.173 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.784 -1.742 -4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.546 -0.543 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.520 -1.326 -6.159 1.00 0.00 H new ATOM 1014 N VAL A 68 -0.381 -4.128 -4.383 1.00 0.00 N ATOM 1015 CA VAL A 68 0.475 -4.339 -3.237 1.00 0.00 C ATOM 1016 C VAL A 68 1.565 -5.264 -3.729 1.00 0.00 C ATOM 1017 O VAL A 68 2.740 -5.111 -3.444 1.00 0.00 O ATOM 1018 CB VAL A 68 -0.392 -4.954 -2.137 1.00 0.00 C ATOM 1019 CG1 VAL A 68 0.231 -4.827 -0.750 1.00 0.00 C ATOM 1020 CG2 VAL A 68 -1.734 -4.253 -2.110 1.00 0.00 C ATOM 0 H VAL A 68 -1.325 -4.501 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 68 0.929 -3.439 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.491 -6.014 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.430 -5.281 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.195 -5.336 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.373 -3.773 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.356 -4.688 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.586 -3.192 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.227 -4.374 -3.075 1.00 0.00 H new ATOM 1030 N ASN A 69 1.150 -6.184 -4.570 1.00 0.00 N ATOM 1031 CA ASN A 69 1.953 -7.049 -5.398 1.00 0.00 C ATOM 1032 C ASN A 69 2.883 -6.307 -6.314 1.00 0.00 C ATOM 1033 O ASN A 69 3.993 -6.775 -6.490 1.00 0.00 O ATOM 1034 CB ASN A 69 1.094 -8.018 -6.112 1.00 0.00 C ATOM 1035 CG ASN A 69 0.860 -9.337 -5.394 1.00 0.00 C ATOM 1036 OD1 ASN A 69 1.309 -9.568 -4.263 1.00 0.00 O ATOM 1037 ND2 ASN A 69 0.067 -10.185 -6.014 1.00 0.00 N ATOM 0 H ASN A 69 0.154 -6.360 -4.702 1.00 0.00 H new ATOM 0 HA ASN A 69 2.614 -7.609 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.128 -7.550 -6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.542 -8.227 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.194 -11.062 -5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.286 -9.965 -6.945 1.00 0.00 H new ATOM 1044 N THR A 70 2.523 -5.146 -6.829 1.00 0.00 N ATOM 1045 CA THR A 70 3.366 -4.441 -7.753 1.00 0.00 C ATOM 1046 C THR A 70 4.541 -3.918 -6.938 1.00 0.00 C ATOM 1047 O THR A 70 5.716 -4.053 -7.300 1.00 0.00 O ATOM 1048 CB THR A 70 2.581 -3.307 -8.430 1.00 0.00 C ATOM 1049 OG1 THR A 70 1.691 -3.838 -9.383 1.00 0.00 O ATOM 1050 CG2 THR A 70 3.452 -2.288 -9.175 1.00 0.00 C ATOM 0 H THR A 70 1.644 -4.675 -6.616 1.00 0.00 H new ATOM 0 HA THR A 70 3.722 -5.085 -8.558 1.00 0.00 H new ATOM 0 HB THR A 70 2.074 -2.796 -7.611 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.099 -4.488 -8.951 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.816 -1.524 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.144 -1.820 -8.475 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.016 -2.795 -9.958 1.00 0.00 H new ATOM 1058 N VAL A 71 4.207 -3.441 -5.734 1.00 0.00 N ATOM 1059 CA VAL A 71 5.199 -3.149 -4.733 1.00 0.00 C ATOM 1060 C VAL A 71 6.029 -4.360 -4.500 1.00 0.00 C ATOM 1061 O VAL A 71 7.236 -4.265 -4.436 1.00 0.00 O ATOM 1062 CB VAL A 71 4.596 -2.606 -3.415 1.00 0.00 C ATOM 1063 CG1 VAL A 71 4.887 -3.266 -2.071 1.00 0.00 C ATOM 1064 CG2 VAL A 71 5.125 -1.210 -3.431 1.00 0.00 C ATOM 0 H VAL A 71 3.248 -3.253 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 71 5.828 -2.343 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 71 3.520 -2.780 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.366 -2.726 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.544 -4.300 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.960 -3.243 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.780 -0.680 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.215 -1.234 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.767 -0.695 -4.323 1.00 0.00 H new ATOM 1074 N LYS A 72 5.392 -5.499 -4.353 1.00 0.00 N ATOM 1075 CA LYS A 72 6.063 -6.746 -3.963 1.00 0.00 C ATOM 1076 C LYS A 72 7.105 -7.293 -4.908 1.00 0.00 C ATOM 1077 O LYS A 72 7.636 -8.369 -4.687 1.00 0.00 O ATOM 1078 CB LYS A 72 5.032 -7.828 -3.718 1.00 0.00 C ATOM 1079 CG LYS A 72 5.135 -8.109 -2.248 1.00 0.00 C ATOM 1080 CD LYS A 72 4.427 -6.944 -1.562 1.00 0.00 C ATOM 1081 CE LYS A 72 2.939 -7.122 -1.168 1.00 0.00 C ATOM 1082 NZ LYS A 72 2.323 -8.428 -1.531 1.00 0.00 N ATOM 0 H LYS A 72 4.388 -5.601 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 72 6.613 -6.466 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.031 -7.493 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.242 -8.719 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.663 -9.059 -1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.176 -8.176 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.984 -6.702 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.496 -6.078 -2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.850 -6.987 -0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.361 -6.326 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.313 -8.416 -1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.428 -8.589 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.798 -9.193 -1.010 1.00 0.00 H new ATOM 1096 N GLN A 73 7.320 -6.559 -5.968 1.00 0.00 N ATOM 1097 CA GLN A 73 8.073 -6.824 -7.141 1.00 0.00 C ATOM 1098 C GLN A 73 9.145 -5.754 -7.305 1.00 0.00 C ATOM 1099 O GLN A 73 10.321 -6.080 -7.399 1.00 0.00 O ATOM 1100 CB GLN A 73 7.139 -7.053 -8.339 1.00 0.00 C ATOM 1101 CG GLN A 73 6.264 -8.258 -7.974 1.00 0.00 C ATOM 1102 CD GLN A 73 5.269 -8.710 -9.039 1.00 0.00 C ATOM 1103 OE1 GLN A 73 5.649 -9.331 -10.024 1.00 0.00 O ATOM 1104 NE2 GLN A 73 3.996 -8.433 -8.797 1.00 0.00 N ATOM 0 H GLN A 73 6.904 -5.629 -6.022 1.00 0.00 H new ATOM 0 HA GLN A 73 8.624 -7.761 -7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.527 -6.171 -8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.710 -7.247 -9.247 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.917 -9.097 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.710 -8.018 -7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.738 -7.912 -7.959 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.274 -8.741 -9.449 1.00 0.00 H new ATOM 1113 N TRP A 74 8.780 -4.481 -7.165 1.00 0.00 N ATOM 1114 CA TRP A 74 9.686 -3.363 -6.966 1.00 0.00 C ATOM 1115 C TRP A 74 10.423 -3.564 -5.664 1.00 0.00 C ATOM 1116 O TRP A 74 11.602 -3.852 -5.674 1.00 0.00 O ATOM 1117 CB TRP A 74 9.013 -2.025 -7.011 1.00 0.00 C ATOM 1118 CG TRP A 74 10.029 -0.946 -7.261 1.00 0.00 C ATOM 1119 CD1 TRP A 74 10.471 -0.606 -8.484 1.00 0.00 C ATOM 1120 CD2 TRP A 74 10.751 -0.067 -6.352 1.00 0.00 C ATOM 1121 NE1 TRP A 74 11.504 0.297 -8.407 1.00 0.00 N ATOM 1122 CE2 TRP A 74 11.659 0.734 -7.117 1.00 0.00 C ATOM 1123 CE3 TRP A 74 10.657 0.213 -4.980 1.00 0.00 C ATOM 1124 CZ2 TRP A 74 12.415 1.776 -6.564 1.00 0.00 C ATOM 1125 CZ3 TRP A 74 11.374 1.287 -4.438 1.00 0.00 C ATOM 1126 CH2 TRP A 74 12.254 2.066 -5.204 1.00 0.00 C ATOM 0 H TRP A 74 7.802 -4.193 -7.189 1.00 0.00 H new ATOM 0 HA TRP A 74 10.387 -3.351 -7.800 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.259 -2.015 -7.798 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.495 -1.837 -6.070 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.067 -0.993 -9.408 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.074 0.599 -9.197 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.034 -0.398 -4.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.105 2.342 -7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.245 1.524 -3.392 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.801 2.879 -4.750 1.00 0.00 H new ATOM 1137 N ARG A 75 9.741 -3.536 -4.525 1.00 0.00 N ATOM 1138 CA ARG A 75 10.283 -3.863 -3.222 1.00 0.00 C ATOM 1139 C ARG A 75 10.975 -5.195 -3.154 1.00 0.00 C ATOM 1140 O ARG A 75 11.685 -5.422 -2.191 1.00 0.00 O ATOM 1141 CB ARG A 75 9.190 -4.029 -2.160 1.00 0.00 C ATOM 1142 CG ARG A 75 8.373 -2.850 -1.655 1.00 0.00 C ATOM 1143 CD ARG A 75 7.662 -3.195 -0.320 1.00 0.00 C ATOM 1144 NE ARG A 75 7.243 -4.623 -0.165 1.00 0.00 N ATOM 1145 CZ ARG A 75 8.005 -5.629 0.306 1.00 0.00 C ATOM 1146 NH1 ARG A 75 9.175 -5.344 0.845 1.00 0.00 N ATOM 1147 NH2 ARG A 75 7.655 -6.914 0.250 1.00 0.00 N ATOM 0 H ARG A 75 8.756 -3.274 -4.488 1.00 0.00 H new ATOM 0 HA ARG A 75 10.963 -3.029 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.481 -4.759 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.664 -4.480 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.024 -1.987 -1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.632 -2.570 -2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.328 -2.938 0.504 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.779 -2.563 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 75 6.290 -4.857 -0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.489 -4.375 0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.766 -6.093 1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.764 -7.182 -0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.278 -7.629 0.625 1.00 0.00 H new ATOM 1161 N ALA A 76 10.741 -6.094 -4.082 1.00 0.00 N ATOM 1162 CA ALA A 76 11.427 -7.368 -4.042 1.00 0.00 C ATOM 1163 C ALA A 76 12.653 -7.409 -4.912 1.00 0.00 C ATOM 1164 O ALA A 76 13.554 -8.207 -4.668 1.00 0.00 O ATOM 1165 CB ALA A 76 10.474 -8.505 -4.362 1.00 0.00 C ATOM 0 H ALA A 76 10.094 -5.973 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 76 11.785 -7.498 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.012 -9.452 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.666 -8.519 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.059 -8.362 -5.359 1.00 0.00 H new ATOM 1171 N ALA A 77 12.711 -6.495 -5.865 1.00 0.00 N ATOM 1172 CA ALA A 77 13.830 -6.391 -6.782 1.00 0.00 C ATOM 1173 C ALA A 77 14.815 -5.343 -6.347 1.00 0.00 C ATOM 1174 O ALA A 77 16.025 -5.463 -6.506 1.00 0.00 O ATOM 1175 CB ALA A 77 13.297 -6.082 -8.185 1.00 0.00 C ATOM 0 H ALA A 77 11.980 -5.802 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 77 14.363 -7.342 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.131 -6.002 -8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.632 -6.883 -8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.748 -5.140 -8.166 1.00 0.00 H new ATOM 1181 N ASN A 78 14.245 -4.333 -5.731 1.00 0.00 N ATOM 1182 CA ASN A 78 14.888 -3.346 -4.934 1.00 0.00 C ATOM 1183 C ASN A 78 15.164 -3.863 -3.530 1.00 0.00 C ATOM 1184 O ASN A 78 15.940 -3.301 -2.771 1.00 0.00 O ATOM 1185 CB ASN A 78 13.930 -2.165 -4.979 1.00 0.00 C ATOM 1186 CG ASN A 78 14.707 -0.859 -4.815 1.00 0.00 C ATOM 1187 OD1 ASN A 78 15.263 -0.561 -3.770 1.00 0.00 O ATOM 1188 ND2 ASN A 78 14.778 -0.046 -5.851 1.00 0.00 N ATOM 0 H ASN A 78 13.238 -4.180 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 78 15.875 -3.064 -5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.389 -2.160 -5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.187 -2.258 -4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.297 0.829 -5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.314 -0.293 -6.725 1.00 0.00 H new ATOM 1195 N GLY A 79 14.524 -4.984 -3.219 1.00 0.00 N ATOM 1196 CA GLY A 79 14.736 -5.750 -1.990 1.00 0.00 C ATOM 1197 C GLY A 79 14.357 -4.937 -0.751 1.00 0.00 C ATOM 1198 O GLY A 79 14.895 -5.160 0.330 1.00 0.00 O ATOM 0 H GLY A 79 13.822 -5.400 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.143 -6.664 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.781 -6.051 -1.923 1.00 0.00 H new ATOM 1202 N LYS A 80 13.451 -3.972 -0.935 1.00 0.00 N ATOM 1203 CA LYS A 80 13.227 -2.838 0.001 1.00 0.00 C ATOM 1204 C LYS A 80 13.178 -3.130 1.502 1.00 0.00 C ATOM 1205 O LYS A 80 13.664 -2.380 2.340 1.00 0.00 O ATOM 1206 CB LYS A 80 11.983 -2.036 -0.307 1.00 0.00 C ATOM 1207 CG LYS A 80 12.073 -1.541 -1.717 1.00 0.00 C ATOM 1208 CD LYS A 80 12.807 -0.368 -2.087 1.00 0.00 C ATOM 1209 CE LYS A 80 12.332 0.893 -1.466 1.00 0.00 C ATOM 1210 NZ LYS A 80 13.297 1.999 -1.646 1.00 0.00 N ATOM 0 H LYS A 80 12.836 -3.946 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 80 14.147 -2.286 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.093 -2.653 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.892 -1.198 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.482 -2.361 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.049 -1.385 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.854 -0.514 -1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.766 -0.259 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.374 1.174 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.161 0.731 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.299 2.600 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.249 1.608 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.023 2.568 -2.472 1.00 0.00 H new ATOM 1224 N SER A 81 12.373 -4.128 1.792 1.00 0.00 N ATOM 1225 CA SER A 81 11.706 -4.477 3.030 1.00 0.00 C ATOM 1226 C SER A 81 11.198 -5.890 2.894 1.00 0.00 C ATOM 1227 O SER A 81 11.361 -6.585 1.889 1.00 0.00 O ATOM 1228 CB SER A 81 10.609 -3.440 3.298 1.00 0.00 C ATOM 1229 OG SER A 81 10.021 -2.901 2.128 1.00 0.00 O ATOM 0 H SER A 81 12.139 -4.806 1.066 1.00 0.00 H new ATOM 0 HA SER A 81 12.370 -4.455 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.829 -3.901 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.031 -2.626 3.887 1.00 0.00 H new ATOM 0 HG SER A 81 10.014 -1.923 2.186 1.00 0.00 H new ATOM 1235 N GLY A 82 10.511 -6.271 3.942 1.00 0.00 N ATOM 1236 CA GLY A 82 9.981 -7.596 4.139 1.00 0.00 C ATOM 1237 C GLY A 82 8.996 -7.679 5.279 1.00 0.00 C ATOM 1238 O GLY A 82 8.763 -8.745 5.838 1.00 0.00 O ATOM 0 H GLY A 82 10.297 -5.639 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.493 -7.925 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.804 -8.285 4.328 1.00 0.00 H new ATOM 1242 N PHE A 83 8.431 -6.524 5.588 1.00 0.00 N ATOM 1243 CA PHE A 83 7.451 -6.246 6.556 1.00 0.00 C ATOM 1244 C PHE A 83 7.772 -6.876 7.899 1.00 0.00 C ATOM 1245 O PHE A 83 8.709 -6.534 8.613 1.00 0.00 O ATOM 1246 CB PHE A 83 6.071 -6.568 5.975 1.00 0.00 C ATOM 1247 CG PHE A 83 5.538 -5.801 4.813 1.00 0.00 C ATOM 1248 CD1 PHE A 83 5.973 -6.155 3.547 1.00 0.00 C ATOM 1249 CD2 PHE A 83 4.495 -4.871 4.954 1.00 0.00 C ATOM 1250 CE1 PHE A 83 5.506 -5.463 2.435 1.00 0.00 C ATOM 1251 CE2 PHE A 83 4.037 -4.185 3.825 1.00 0.00 C ATOM 1252 CZ PHE A 83 4.536 -4.456 2.534 1.00 0.00 C ATOM 0 H PHE A 83 8.700 -5.675 5.091 1.00 0.00 H new ATOM 0 HA PHE A 83 7.441 -5.182 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.081 -7.620 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.350 -6.465 6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.674 -6.967 3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.052 -4.688 5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.904 -5.710 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.279 -3.425 3.945 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.189 -3.915 1.666 1.00 0.00 H new ATOM 1262 N LYS A 84 6.870 -7.769 8.177 1.00 0.00 N ATOM 1263 CA LYS A 84 6.362 -8.424 9.308 1.00 0.00 C ATOM 1264 C LYS A 84 5.627 -9.609 8.693 1.00 0.00 C ATOM 1265 O LYS A 84 5.392 -9.677 7.481 1.00 0.00 O ATOM 1266 CB LYS A 84 5.589 -7.431 10.116 1.00 0.00 C ATOM 1267 CG LYS A 84 5.613 -7.862 11.576 1.00 0.00 C ATOM 1268 CD LYS A 84 4.999 -6.810 12.462 1.00 0.00 C ATOM 1269 CE LYS A 84 3.490 -6.544 12.299 1.00 0.00 C ATOM 1270 NZ LYS A 84 2.571 -7.520 12.918 1.00 0.00 N ATOM 0 H LYS A 84 6.353 -8.131 7.376 1.00 0.00 H new ATOM 0 HA LYS A 84 7.064 -8.813 10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.023 -6.437 10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.562 -7.370 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.070 -8.800 11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.641 -8.049 11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.182 -7.093 13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.528 -5.873 12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.272 -5.561 12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.267 -6.496 11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.725 -7.626 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.049 -8.439 13.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.291 -7.183 13.861 1.00 0.00 H new ATOM 1284 N GLN A 85 5.252 -10.536 9.535 1.00 0.00 N ATOM 1285 CA GLN A 85 4.663 -11.815 9.153 1.00 0.00 C ATOM 1286 C GLN A 85 3.337 -12.081 9.826 1.00 0.00 C ATOM 1287 O GLN A 85 2.314 -12.216 9.157 1.00 0.00 O ATOM 1288 CB GLN A 85 5.646 -12.932 9.153 1.00 0.00 C ATOM 1289 CG GLN A 85 6.052 -13.473 7.773 1.00 0.00 C ATOM 1290 CD GLN A 85 7.303 -14.343 7.851 1.00 0.00 C ATOM 1291 OE1 GLN A 85 7.279 -15.457 8.356 1.00 0.00 O ATOM 1292 NE2 GLN A 85 8.432 -13.852 7.363 1.00 0.00 N ATOM 0 H GLN A 85 5.347 -10.428 10.545 1.00 0.00 H new ATOM 0 HA GLN A 85 4.386 -11.740 8.102 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.546 -12.597 9.669 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.231 -13.754 9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.230 -14.054 7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.231 -12.639 7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.445 -12.922 6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.289 -14.403 7.407 1.00 0.00 H new ATOM 1301 N GLY A 86 3.380 -12.077 11.148 1.00 0.00 N ATOM 1302 CA GLY A 86 2.229 -11.904 12.007 1.00 0.00 C ATOM 1303 C GLY A 86 2.459 -10.642 12.814 1.00 0.00 C ATOM 1304 O GLY A 86 3.619 -10.179 12.862 1.00 0.00 O ATOM 1305 OXT GLY A 86 1.483 -10.043 13.290 1.00 0.00 O ATOM 0 H GLY A 86 4.250 -12.199 11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.317 -11.822 11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.107 -12.765 12.665 1.00 0.00 H new TER 1309 GLY A 86