USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 740 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 19 LYS NZ :NH3+ 138:sc= -3.13! (180deg=-5.02!) USER MOD Set 1.2: A 26 LYS NZ :NH3+ -151:sc= 1.12 (180deg=0.876) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.0059) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -99:sc= -1.89! USER MOD Single : A 18 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.54) USER MOD Single : A 20 HIS :FLIP no HE2:sc= -0.0129 F(o=-0.63,f=-0.013) USER MOD Single : A 21 TYR OH : rot 180:sc=-0.00601 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.44 K(o=-2.4,f=-7.6!) USER MOD Single : A 42 GLN : amide:sc= -1.36 K(o=-1.4,f=-2) USER MOD Single : A 43 TYR OH : rot 119:sc= 0.562 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.26) USER MOD Single : A 50 ASN : amide:sc= 0.0372 X(o=0.037,f=0) USER MOD Single : A 51 MET CE :methyl 178:sc=-0.000998 (180deg=-0.0147) USER MOD Single : A 52 MET CE :methyl 167:sc= -0.347 (180deg=-1.39) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0504 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0379) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.256 -4.319 20.350 1.00 0.00 N ATOM 2 CA GLY A 1 -12.715 -3.009 19.927 1.00 0.00 C ATOM 3 C GLY A 1 -12.335 -1.916 20.907 1.00 0.00 C ATOM 4 O GLY A 1 -13.153 -1.062 21.244 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.570 -5.035 19.664 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.217 -4.322 20.403 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.651 -4.540 21.286 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.293 -2.778 18.949 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.799 -3.027 19.811 1.00 0.00 H new ATOM 8 N SER A 2 -11.087 -1.944 21.365 1.00 0.00 N ATOM 9 CA SER A 2 -10.600 -0.952 22.317 1.00 0.00 C ATOM 10 C SER A 2 -10.193 0.332 21.601 1.00 0.00 C ATOM 11 O SER A 2 -9.871 0.318 20.413 1.00 0.00 O ATOM 12 CB SER A 2 -9.412 -1.509 23.104 1.00 0.00 C ATOM 13 OG SER A 2 -8.379 -1.937 22.234 1.00 0.00 O ATOM 0 H SER A 2 -10.395 -2.642 21.092 1.00 0.00 H new ATOM 0 HA SER A 2 -11.409 -0.721 23.010 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.029 -0.744 23.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.741 -2.345 23.722 1.00 0.00 H new ATOM 0 HG SER A 2 -7.631 -2.287 22.762 1.00 0.00 H new ATOM 19 N SER A 3 -10.208 1.441 22.333 1.00 0.00 N ATOM 20 CA SER A 3 -9.844 2.736 21.769 1.00 0.00 C ATOM 21 C SER A 3 -8.338 2.829 21.552 1.00 0.00 C ATOM 22 O SER A 3 -7.550 2.423 22.405 1.00 0.00 O ATOM 23 CB SER A 3 -10.310 3.866 22.689 1.00 0.00 C ATOM 24 OG SER A 3 -9.969 5.133 22.153 1.00 0.00 O ATOM 0 H SER A 3 -10.468 1.469 23.319 1.00 0.00 H new ATOM 0 HA SER A 3 -10.339 2.837 20.803 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.389 3.805 22.828 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.855 3.749 23.673 1.00 0.00 H new ATOM 0 HG SER A 3 -10.279 5.839 22.758 1.00 0.00 H new ATOM 30 N GLY A 4 -7.944 3.368 20.402 1.00 0.00 N ATOM 31 CA GLY A 4 -6.533 3.506 20.091 1.00 0.00 C ATOM 32 C GLY A 4 -6.074 4.951 20.105 1.00 0.00 C ATOM 33 O GLY A 4 -5.942 5.556 21.169 1.00 0.00 O ATOM 0 H GLY A 4 -8.577 3.712 19.680 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.948 2.935 20.812 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.337 3.075 19.109 1.00 0.00 H new ATOM 37 N SER A 5 -5.830 5.504 18.922 1.00 0.00 N ATOM 38 CA SER A 5 -5.377 6.885 18.803 1.00 0.00 C ATOM 39 C SER A 5 -5.664 7.431 17.407 1.00 0.00 C ATOM 40 O SER A 5 -5.801 6.673 16.448 1.00 0.00 O ATOM 41 CB SER A 5 -3.881 6.981 19.103 1.00 0.00 C ATOM 42 OG SER A 5 -3.122 6.246 18.159 1.00 0.00 O ATOM 0 H SER A 5 -5.938 5.017 18.032 1.00 0.00 H new ATOM 0 HA SER A 5 -5.924 7.486 19.529 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.571 8.026 19.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.683 6.603 20.106 1.00 0.00 H new ATOM 0 HG SER A 5 -2.169 6.325 18.373 1.00 0.00 H new ATOM 48 N SER A 6 -5.754 8.754 17.303 1.00 0.00 N ATOM 49 CA SER A 6 -6.028 9.404 16.027 1.00 0.00 C ATOM 50 C SER A 6 -4.740 9.612 15.236 1.00 0.00 C ATOM 51 O SER A 6 -4.525 10.670 14.647 1.00 0.00 O ATOM 52 CB SER A 6 -6.724 10.747 16.254 1.00 0.00 C ATOM 53 OG SER A 6 -7.972 10.572 16.902 1.00 0.00 O ATOM 0 H SER A 6 -5.641 9.396 18.087 1.00 0.00 H new ATOM 0 HA SER A 6 -6.687 8.755 15.450 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.086 11.394 16.856 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.874 11.248 15.298 1.00 0.00 H new ATOM 0 HG SER A 6 -8.396 11.445 17.037 1.00 0.00 H new ATOM 59 N GLY A 7 -3.885 8.593 15.229 1.00 0.00 N ATOM 60 CA GLY A 7 -2.629 8.684 14.507 1.00 0.00 C ATOM 61 C GLY A 7 -2.705 8.054 13.130 1.00 0.00 C ATOM 62 O GLY A 7 -2.455 6.859 12.972 1.00 0.00 O ATOM 0 H GLY A 7 -4.040 7.707 15.710 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.345 9.732 14.409 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.845 8.194 15.085 1.00 0.00 H new ATOM 66 N ILE A 8 -3.051 8.860 12.132 1.00 0.00 N ATOM 67 CA ILE A 8 -3.158 8.375 10.762 1.00 0.00 C ATOM 68 C ILE A 8 -2.306 9.212 9.814 1.00 0.00 C ATOM 69 O ILE A 8 -2.413 10.438 9.785 1.00 0.00 O ATOM 70 CB ILE A 8 -4.619 8.390 10.273 1.00 0.00 C ATOM 71 CG1 ILE A 8 -5.486 7.493 11.157 1.00 0.00 C ATOM 72 CG2 ILE A 8 -4.694 7.944 8.820 1.00 0.00 C ATOM 73 CD1 ILE A 8 -6.970 7.688 10.945 1.00 0.00 C ATOM 0 H ILE A 8 -3.262 9.851 12.247 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.794 7.348 10.761 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.999 9.409 10.341 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.233 6.451 10.962 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.248 7.688 12.203 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.732 7.959 8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.105 8.620 8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.299 6.932 8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.523 7.019 11.605 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.237 8.721 11.169 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.222 7.464 9.908 1.00 0.00 H new ATOM 85 N VAL A 9 -1.463 8.541 9.036 1.00 0.00 N ATOM 86 CA VAL A 9 -0.595 9.222 8.083 1.00 0.00 C ATOM 87 C VAL A 9 -0.771 8.658 6.678 1.00 0.00 C ATOM 88 O VAL A 9 -1.060 7.473 6.504 1.00 0.00 O ATOM 89 CB VAL A 9 0.887 9.105 8.490 1.00 0.00 C ATOM 90 CG1 VAL A 9 1.741 10.067 7.679 1.00 0.00 C ATOM 91 CG2 VAL A 9 1.051 9.359 9.981 1.00 0.00 C ATOM 0 H VAL A 9 -1.363 7.526 9.047 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.884 10.273 8.088 1.00 0.00 H new ATOM 0 HB VAL A 9 1.225 8.091 8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.784 9.970 7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.646 9.832 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.406 11.089 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.103 9.272 10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.696 10.361 10.221 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.471 8.625 10.541 1.00 0.00 H new ATOM 101 N LEU A 10 -0.594 9.513 5.677 1.00 0.00 N ATOM 102 CA LEU A 10 -0.733 9.100 4.284 1.00 0.00 C ATOM 103 C LEU A 10 0.178 7.917 3.974 1.00 0.00 C ATOM 104 O LEU A 10 -0.072 7.154 3.039 1.00 0.00 O ATOM 105 CB LEU A 10 -0.409 10.267 3.350 1.00 0.00 C ATOM 106 CG LEU A 10 0.045 9.892 1.940 1.00 0.00 C ATOM 107 CD1 LEU A 10 -1.044 9.115 1.218 1.00 0.00 C ATOM 108 CD2 LEU A 10 0.426 11.138 1.153 1.00 0.00 C ATOM 0 H LEU A 10 -0.354 10.496 5.803 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.766 8.791 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.294 10.898 3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.372 10.871 3.813 1.00 0.00 H new ATOM 0 HG LEU A 10 0.925 9.254 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.703 8.857 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.268 8.203 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.943 9.728 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.747 10.852 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.436 11.801 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.240 11.654 1.661 1.00 0.00 H new ATOM 120 N LEU A 11 1.235 7.768 4.765 1.00 0.00 N ATOM 121 CA LEU A 11 2.184 6.675 4.576 1.00 0.00 C ATOM 122 C LEU A 11 1.669 5.391 5.216 1.00 0.00 C ATOM 123 O LEU A 11 1.859 4.299 4.679 1.00 0.00 O ATOM 124 CB LEU A 11 3.543 7.046 5.172 1.00 0.00 C ATOM 125 CG LEU A 11 4.765 6.423 4.496 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.697 4.906 4.564 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.872 6.890 3.052 1.00 0.00 C ATOM 0 H LEU A 11 1.457 8.389 5.543 1.00 0.00 H new ATOM 0 HA LEU A 11 2.297 6.505 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.648 8.130 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.547 6.757 6.223 1.00 0.00 H new ATOM 0 HG LEU A 11 5.657 6.750 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.575 4.480 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.670 4.589 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.797 4.559 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.747 6.437 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.976 6.593 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.969 7.975 3.027 1.00 0.00 H new ATOM 139 N ARG A 12 1.015 5.528 6.364 1.00 0.00 N ATOM 140 CA ARG A 12 0.472 4.378 7.076 1.00 0.00 C ATOM 141 C ARG A 12 -0.207 3.411 6.110 1.00 0.00 C ATOM 142 O ARG A 12 -0.351 2.224 6.403 1.00 0.00 O ATOM 143 CB ARG A 12 -0.527 4.836 8.141 1.00 0.00 C ATOM 144 CG ARG A 12 0.125 5.494 9.346 1.00 0.00 C ATOM 145 CD ARG A 12 -0.738 5.359 10.590 1.00 0.00 C ATOM 146 NE ARG A 12 -0.334 6.290 11.640 1.00 0.00 N ATOM 147 CZ ARG A 12 0.773 6.148 12.362 1.00 0.00 C ATOM 148 NH1 ARG A 12 1.580 5.118 12.149 1.00 0.00 N ATOM 149 NH2 ARG A 12 1.073 7.037 13.300 1.00 0.00 N ATOM 0 H ARG A 12 0.848 6.424 6.821 1.00 0.00 H new ATOM 0 HA ARG A 12 1.299 3.859 7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.229 5.538 7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.107 3.976 8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.099 5.040 9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.299 6.549 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.781 5.538 10.329 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.674 4.338 10.966 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.934 7.093 11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.352 4.432 11.429 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.429 5.012 12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.454 7.830 13.468 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.923 6.927 13.854 1.00 0.00 H new ATOM 163 N GLY A 13 -0.620 3.927 4.957 1.00 0.00 N ATOM 164 CA GLY A 13 -1.279 3.096 3.966 1.00 0.00 C ATOM 165 C GLY A 13 -0.588 1.759 3.779 1.00 0.00 C ATOM 166 O GLY A 13 -1.229 0.764 3.440 1.00 0.00 O ATOM 0 H GLY A 13 -0.510 4.906 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.313 2.928 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.306 3.624 3.013 1.00 0.00 H new ATOM 170 N LEU A 14 0.721 1.736 4.000 1.00 0.00 N ATOM 171 CA LEU A 14 1.500 0.512 3.852 1.00 0.00 C ATOM 172 C LEU A 14 1.647 -0.204 5.192 1.00 0.00 C ATOM 173 O LEU A 14 1.632 -1.433 5.253 1.00 0.00 O ATOM 174 CB LEU A 14 2.881 0.828 3.276 1.00 0.00 C ATOM 175 CG LEU A 14 2.899 1.681 2.007 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.277 2.285 1.788 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.480 0.852 0.801 1.00 0.00 C ATOM 0 H LEU A 14 1.266 2.551 4.282 1.00 0.00 H new ATOM 0 HA LEU A 14 0.969 -0.146 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.464 1.339 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.389 -0.113 3.065 1.00 0.00 H new ATOM 0 HG LEU A 14 2.184 2.495 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.270 2.888 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.538 2.913 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.012 1.487 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.499 1.475 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.170 0.017 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.471 0.469 0.955 1.00 0.00 H new ATOM 189 N GLU A 15 1.787 0.574 6.260 1.00 0.00 N ATOM 190 CA GLU A 15 1.936 0.012 7.598 1.00 0.00 C ATOM 191 C GLU A 15 0.755 -0.890 7.944 1.00 0.00 C ATOM 192 O GLU A 15 0.852 -1.748 8.823 1.00 0.00 O ATOM 193 CB GLU A 15 2.056 1.132 8.634 1.00 0.00 C ATOM 194 CG GLU A 15 3.346 1.928 8.523 1.00 0.00 C ATOM 195 CD GLU A 15 3.728 2.605 9.825 1.00 0.00 C ATOM 196 OE1 GLU A 15 3.011 3.540 10.240 1.00 0.00 O ATOM 197 OE2 GLU A 15 4.743 2.201 10.429 1.00 0.00 O ATOM 0 H GLU A 15 1.800 1.593 6.226 1.00 0.00 H new ATOM 0 HA GLU A 15 2.846 -0.588 7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.210 1.810 8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.990 0.700 9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.153 1.264 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.237 2.682 7.744 1.00 0.00 H new ATOM 204 N CYS A 16 -0.359 -0.690 7.248 1.00 0.00 N ATOM 205 CA CYS A 16 -1.559 -1.484 7.481 1.00 0.00 C ATOM 206 C CYS A 16 -1.291 -2.964 7.228 1.00 0.00 C ATOM 207 O CYS A 16 -2.012 -3.831 7.723 1.00 0.00 O ATOM 208 CB CYS A 16 -2.699 -0.999 6.585 1.00 0.00 C ATOM 209 SG CYS A 16 -2.679 -1.704 4.919 1.00 0.00 S ATOM 0 H CYS A 16 -0.456 0.016 6.518 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.849 -1.360 8.524 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.649 -1.243 7.060 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.650 0.087 6.509 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.141 -0.855 4.095 1.00 0.00 H new ATOM 215 N ILE A 17 -0.249 -3.246 6.451 1.00 0.00 N ATOM 216 CA ILE A 17 0.114 -4.620 6.131 1.00 0.00 C ATOM 217 C ILE A 17 1.524 -4.943 6.614 1.00 0.00 C ATOM 218 O ILE A 17 2.336 -4.046 6.831 1.00 0.00 O ATOM 219 CB ILE A 17 0.028 -4.887 4.617 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.812 -3.825 3.844 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.424 -4.916 4.166 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.136 -4.228 2.423 1.00 0.00 C ATOM 0 H ILE A 17 0.357 -2.541 6.032 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.600 -5.263 6.646 1.00 0.00 H new ATOM 0 HB ILE A 17 0.471 -5.861 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.236 -2.900 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.741 -3.613 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.468 -5.106 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.954 -5.707 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.892 -3.956 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.692 -3.427 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.739 -5.136 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.211 -4.411 1.877 1.00 0.00 H new ATOM 234 N ASN A 18 1.807 -6.232 6.777 1.00 0.00 N ATOM 235 CA ASN A 18 3.120 -6.673 7.233 1.00 0.00 C ATOM 236 C ASN A 18 3.931 -7.251 6.077 1.00 0.00 C ATOM 237 O ASN A 18 3.394 -7.529 5.005 1.00 0.00 O ATOM 238 CB ASN A 18 2.974 -7.719 8.340 1.00 0.00 C ATOM 239 CG ASN A 18 4.252 -7.904 9.134 1.00 0.00 C ATOM 240 OD1 ASN A 18 4.844 -8.984 9.136 1.00 0.00 O ATOM 241 ND2 ASN A 18 4.685 -6.848 9.813 1.00 0.00 N ATOM 0 H ASN A 18 1.145 -6.988 6.600 1.00 0.00 H new ATOM 0 HA ASN A 18 3.650 -5.806 7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.171 -7.421 9.014 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.683 -8.672 7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.540 -6.912 10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.162 -5.973 9.782 1.00 0.00 H new ATOM 248 N LYS A 19 5.229 -7.428 6.303 1.00 0.00 N ATOM 249 CA LYS A 19 6.116 -7.974 5.281 1.00 0.00 C ATOM 250 C LYS A 19 5.402 -9.038 4.453 1.00 0.00 C ATOM 251 O LYS A 19 5.547 -9.088 3.232 1.00 0.00 O ATOM 252 CB LYS A 19 7.366 -8.572 5.929 1.00 0.00 C ATOM 253 CG LYS A 19 8.575 -8.599 5.010 1.00 0.00 C ATOM 254 CD LYS A 19 8.367 -9.550 3.843 1.00 0.00 C ATOM 255 CE LYS A 19 9.687 -10.117 3.344 1.00 0.00 C ATOM 256 NZ LYS A 19 10.372 -9.185 2.407 1.00 0.00 N ATOM 0 H LYS A 19 5.690 -7.201 7.184 1.00 0.00 H new ATOM 0 HA LYS A 19 6.411 -7.160 4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.612 -7.998 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.145 -9.588 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.769 -7.595 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.456 -8.902 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.712 -10.366 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.864 -9.026 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.339 -10.322 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.507 -11.068 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.390 -9.164 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.230 -9.509 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.976 -8.230 2.516 1.00 0.00 H new ATOM 270 N HIS A 20 4.629 -9.886 5.126 1.00 0.00 N ATOM 271 CA HIS A 20 3.891 -10.947 4.451 1.00 0.00 C ATOM 272 C HIS A 20 3.201 -10.417 3.198 1.00 0.00 C ATOM 273 O HIS A 20 3.639 -10.679 2.078 1.00 0.00 O ATOM 274 CB HIS A 20 2.858 -11.559 5.397 1.00 0.00 C ATOM 275 CG HIS A 20 1.879 -12.462 4.711 1.00 0.00 C ATOM 276 ND1 HIS A 20 0.628 -12.224 4.250 1.00 0.00 N flip ATOM 277 CD2 HIS A 20 2.144 -13.786 4.431 1.00 0.00 C flip ATOM 278 CE1 HIS A 20 0.167 -13.397 3.705 1.00 0.00 C flip ATOM 279 NE2 HIS A 20 1.100 -14.323 3.826 1.00 0.00 N flip ATOM 0 H HIS A 20 4.498 -9.858 6.137 1.00 0.00 H new ATOM 0 HA HIS A 20 4.602 -11.718 4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.377 -12.122 6.173 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.313 -10.757 5.895 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.123 -11.339 4.299 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.062 -14.303 4.669 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.802 -13.539 3.251 1.00 0.00 H new ATOM 288 N TYR A 21 2.119 -9.671 3.395 1.00 0.00 N ATOM 289 CA TYR A 21 1.366 -9.107 2.281 1.00 0.00 C ATOM 290 C TYR A 21 2.222 -8.125 1.487 1.00 0.00 C ATOM 291 O TYR A 21 2.128 -8.052 0.262 1.00 0.00 O ATOM 292 CB TYR A 21 0.107 -8.405 2.793 1.00 0.00 C ATOM 293 CG TYR A 21 -1.054 -9.342 3.032 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.447 -10.255 2.060 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.760 -9.316 4.228 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.508 -11.114 2.273 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.822 -10.171 4.451 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.192 -11.068 3.469 1.00 0.00 C ATOM 299 OH TYR A 21 -4.250 -11.921 3.687 1.00 0.00 O ATOM 0 H TYR A 21 1.744 -9.443 4.316 1.00 0.00 H new ATOM 0 HA TYR A 21 1.075 -9.924 1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.343 -7.887 3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.193 -7.645 2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.913 -10.293 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.473 -8.615 4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.800 -11.817 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.359 -10.138 5.387 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.621 -11.760 4.579 1.00 0.00 H new ATOM 309 N PHE A 22 3.058 -7.372 2.193 1.00 0.00 N ATOM 310 CA PHE A 22 3.932 -6.395 1.556 1.00 0.00 C ATOM 311 C PHE A 22 4.702 -7.024 0.399 1.00 0.00 C ATOM 312 O PHE A 22 4.835 -6.429 -0.669 1.00 0.00 O ATOM 313 CB PHE A 22 4.911 -5.811 2.578 1.00 0.00 C ATOM 314 CG PHE A 22 5.513 -4.503 2.152 1.00 0.00 C ATOM 315 CD1 PHE A 22 4.711 -3.474 1.688 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.884 -4.304 2.213 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.262 -2.269 1.295 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.440 -3.101 1.822 1.00 0.00 C ATOM 319 CZ PHE A 22 6.629 -2.082 1.361 1.00 0.00 C ATOM 0 H PHE A 22 3.149 -7.420 3.208 1.00 0.00 H new ATOM 0 HA PHE A 22 3.309 -5.593 1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.393 -5.671 3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.711 -6.530 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.642 -3.615 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.524 -5.098 2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.624 -1.474 0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.509 -2.957 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.063 -1.142 1.053 1.00 0.00 H new ATOM 329 N SER A 23 5.207 -8.234 0.622 1.00 0.00 N ATOM 330 CA SER A 23 5.967 -8.944 -0.400 1.00 0.00 C ATOM 331 C SER A 23 5.183 -9.020 -1.706 1.00 0.00 C ATOM 332 O SER A 23 5.759 -8.965 -2.793 1.00 0.00 O ATOM 333 CB SER A 23 6.315 -10.355 0.082 1.00 0.00 C ATOM 334 OG SER A 23 7.341 -10.925 -0.711 1.00 0.00 O ATOM 0 H SER A 23 5.103 -8.742 1.500 1.00 0.00 H new ATOM 0 HA SER A 23 6.889 -8.391 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.634 -10.319 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.427 -10.986 0.042 1.00 0.00 H new ATOM 0 HG SER A 23 7.546 -11.825 -0.382 1.00 0.00 H new ATOM 340 N LEU A 24 3.866 -9.147 -1.591 1.00 0.00 N ATOM 341 CA LEU A 24 3.000 -9.230 -2.763 1.00 0.00 C ATOM 342 C LEU A 24 2.862 -7.867 -3.435 1.00 0.00 C ATOM 343 O LEU A 24 2.885 -7.764 -4.663 1.00 0.00 O ATOM 344 CB LEU A 24 1.620 -9.758 -2.366 1.00 0.00 C ATOM 345 CG LEU A 24 1.544 -11.247 -2.031 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.797 -11.474 -0.548 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.191 -11.816 -2.436 1.00 0.00 C ATOM 0 H LEU A 24 3.374 -9.195 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 24 3.455 -9.920 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.272 -9.193 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.926 -9.553 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 24 2.319 -11.767 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.739 -12.540 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.788 -11.103 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.045 -10.942 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.154 -12.877 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.600 -11.292 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.048 -11.687 -3.509 1.00 0.00 H new ATOM 359 N PHE A 25 2.721 -6.825 -2.624 1.00 0.00 N ATOM 360 CA PHE A 25 2.581 -5.468 -3.141 1.00 0.00 C ATOM 361 C PHE A 25 3.827 -5.048 -3.914 1.00 0.00 C ATOM 362 O PHE A 25 3.735 -4.475 -4.999 1.00 0.00 O ATOM 363 CB PHE A 25 2.323 -4.488 -1.995 1.00 0.00 C ATOM 364 CG PHE A 25 1.913 -3.119 -2.457 1.00 0.00 C ATOM 365 CD1 PHE A 25 0.877 -2.961 -3.364 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.562 -1.990 -1.984 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.497 -1.703 -3.792 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.186 -0.729 -2.408 1.00 0.00 C ATOM 369 CZ PHE A 25 1.153 -0.586 -3.313 1.00 0.00 C ATOM 0 H PHE A 25 2.701 -6.893 -1.606 1.00 0.00 H new ATOM 0 HA PHE A 25 1.731 -5.452 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.544 -4.893 -1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.226 -4.403 -1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.360 -3.831 -3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.371 -2.096 -1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.311 -1.594 -4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.700 0.143 -2.032 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.858 0.398 -3.646 1.00 0.00 H new ATOM 379 N LYS A 26 4.993 -5.339 -3.346 1.00 0.00 N ATOM 380 CA LYS A 26 6.260 -4.993 -3.980 1.00 0.00 C ATOM 381 C LYS A 26 6.406 -5.699 -5.324 1.00 0.00 C ATOM 382 O LYS A 26 7.060 -5.191 -6.235 1.00 0.00 O ATOM 383 CB LYS A 26 7.430 -5.365 -3.066 1.00 0.00 C ATOM 384 CG LYS A 26 7.684 -4.355 -1.962 1.00 0.00 C ATOM 385 CD LYS A 26 8.799 -4.811 -1.035 1.00 0.00 C ATOM 386 CE LYS A 26 8.369 -6.000 -0.190 1.00 0.00 C ATOM 387 NZ LYS A 26 9.480 -6.503 0.666 1.00 0.00 N ATOM 0 H LYS A 26 5.087 -5.814 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 26 6.270 -3.917 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.234 -6.339 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.333 -5.467 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.946 -3.392 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.770 -4.205 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.676 -5.080 -1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.092 -3.987 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.527 -5.713 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.021 -6.802 -0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.355 -7.522 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.389 -6.340 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.473 -5.999 1.576 1.00 0.00 H new ATOM 401 N SER A 27 5.791 -6.872 -5.441 1.00 0.00 N ATOM 402 CA SER A 27 5.856 -7.649 -6.674 1.00 0.00 C ATOM 403 C SER A 27 5.133 -6.928 -7.808 1.00 0.00 C ATOM 404 O SER A 27 5.638 -6.848 -8.929 1.00 0.00 O ATOM 405 CB SER A 27 5.241 -9.033 -6.462 1.00 0.00 C ATOM 406 OG SER A 27 5.453 -9.864 -7.589 1.00 0.00 O ATOM 0 H SER A 27 5.243 -7.305 -4.698 1.00 0.00 H new ATOM 0 HA SER A 27 6.905 -7.763 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.678 -9.497 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.172 -8.934 -6.275 1.00 0.00 H new ATOM 0 HG SER A 27 5.052 -10.743 -7.427 1.00 0.00 H new ATOM 412 N LEU A 28 3.949 -6.406 -7.509 1.00 0.00 N ATOM 413 CA LEU A 28 3.156 -5.691 -8.503 1.00 0.00 C ATOM 414 C LEU A 28 3.808 -4.361 -8.867 1.00 0.00 C ATOM 415 O LEU A 28 3.675 -3.879 -9.993 1.00 0.00 O ATOM 416 CB LEU A 28 1.739 -5.450 -7.977 1.00 0.00 C ATOM 417 CG LEU A 28 1.026 -6.669 -7.392 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.058 -6.236 -6.417 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.435 -7.526 -8.503 1.00 0.00 C ATOM 0 H LEU A 28 3.517 -6.464 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 28 3.104 -6.307 -9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.784 -4.677 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.132 -5.055 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 28 1.757 -7.268 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.555 -7.117 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.391 -5.665 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.788 -5.615 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.069 -8.389 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.283 -6.937 -9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.233 -7.866 -9.163 1.00 0.00 H new ATOM 431 N LEU A 29 4.514 -3.773 -7.907 1.00 0.00 N ATOM 432 CA LEU A 29 5.190 -2.498 -8.127 1.00 0.00 C ATOM 433 C LEU A 29 6.609 -2.716 -8.642 1.00 0.00 C ATOM 434 O LEU A 29 7.203 -1.825 -9.250 1.00 0.00 O ATOM 435 CB LEU A 29 5.225 -1.687 -6.830 1.00 0.00 C ATOM 436 CG LEU A 29 4.033 -0.761 -6.586 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.939 0.288 -7.682 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.742 -1.564 -6.501 1.00 0.00 C ATOM 0 H LEU A 29 4.633 -4.158 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 29 4.631 -1.943 -8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.298 -2.381 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.134 -1.085 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 29 4.183 -0.250 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.085 0.938 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.852 0.883 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.813 -0.204 -8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.904 -0.889 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.586 -2.102 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.810 -2.277 -5.679 1.00 0.00 H new ATOM 450 N ALA A 30 7.145 -3.908 -8.397 1.00 0.00 N ATOM 451 CA ALA A 30 8.493 -4.244 -8.841 1.00 0.00 C ATOM 452 C ALA A 30 8.794 -3.624 -10.200 1.00 0.00 C ATOM 453 O ALA A 30 9.824 -2.975 -10.383 1.00 0.00 O ATOM 454 CB ALA A 30 8.668 -5.754 -8.896 1.00 0.00 C ATOM 0 H ALA A 30 6.667 -4.656 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 30 9.200 -3.833 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.678 -5.991 -9.229 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.504 -6.176 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.947 -6.179 -9.594 1.00 0.00 H new ATOM 460 N ARG A 31 7.890 -3.830 -11.153 1.00 0.00 N ATOM 461 CA ARG A 31 8.062 -3.292 -12.498 1.00 0.00 C ATOM 462 C ARG A 31 8.201 -1.773 -12.462 1.00 0.00 C ATOM 463 O ARG A 31 9.185 -1.219 -12.952 1.00 0.00 O ATOM 464 CB ARG A 31 6.876 -3.686 -13.381 1.00 0.00 C ATOM 465 CG ARG A 31 5.584 -3.897 -12.609 1.00 0.00 C ATOM 466 CD ARG A 31 5.421 -5.348 -12.183 1.00 0.00 C ATOM 467 NE ARG A 31 4.739 -6.144 -13.200 1.00 0.00 N ATOM 468 CZ ARG A 31 4.737 -7.471 -13.215 1.00 0.00 C ATOM 469 NH1 ARG A 31 5.377 -8.149 -12.272 1.00 0.00 N ATOM 470 NH2 ARG A 31 4.092 -8.125 -14.174 1.00 0.00 N ATOM 0 H ARG A 31 7.032 -4.365 -11.019 1.00 0.00 H new ATOM 0 HA ARG A 31 8.976 -3.713 -12.918 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.719 -2.910 -14.130 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.122 -4.602 -13.918 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.576 -3.255 -11.728 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.737 -3.601 -13.227 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.402 -5.779 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.857 -5.391 -11.251 1.00 0.00 H new ATOM 0 HE ARG A 31 4.237 -5.653 -13.939 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.872 -7.651 -11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.374 -9.169 -12.286 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.597 -7.607 -14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.091 -9.145 -14.184 1.00 0.00 H new ATOM 484 N ASP A 32 7.210 -1.106 -11.881 1.00 0.00 N ATOM 485 CA ASP A 32 7.222 0.348 -11.781 1.00 0.00 C ATOM 486 C ASP A 32 8.424 0.828 -10.973 1.00 0.00 C ATOM 487 O ASP A 32 9.294 1.530 -11.490 1.00 0.00 O ATOM 488 CB ASP A 32 5.928 0.848 -11.137 1.00 0.00 C ATOM 489 CG ASP A 32 4.797 0.979 -12.138 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.356 -0.058 -12.675 1.00 0.00 O ATOM 491 OD2 ASP A 32 4.353 2.120 -12.386 1.00 0.00 O ATOM 0 H ASP A 32 6.388 -1.550 -11.472 1.00 0.00 H new ATOM 0 HA ASP A 32 7.298 0.755 -12.789 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.631 0.161 -10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.109 1.815 -10.669 1.00 0.00 H new ATOM 496 N LEU A 33 8.467 0.444 -9.702 1.00 0.00 N ATOM 497 CA LEU A 33 9.562 0.835 -8.821 1.00 0.00 C ATOM 498 C LEU A 33 10.861 0.147 -9.229 1.00 0.00 C ATOM 499 O LEU A 33 11.916 0.394 -8.646 1.00 0.00 O ATOM 500 CB LEU A 33 9.223 0.491 -7.370 1.00 0.00 C ATOM 501 CG LEU A 33 8.036 1.239 -6.763 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.839 0.837 -5.309 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.237 2.743 -6.880 1.00 0.00 C ATOM 0 H LEU A 33 7.756 -0.138 -9.258 1.00 0.00 H new ATOM 0 HA LEU A 33 9.700 1.913 -8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.023 -0.579 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.102 0.686 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 33 7.138 0.968 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.990 1.379 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.649 -0.235 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.737 1.078 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.382 3.259 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.145 3.031 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.328 3.017 -7.931 1.00 0.00 H new ATOM 515 N ASN A 34 10.776 -0.718 -10.235 1.00 0.00 N ATOM 516 CA ASN A 34 11.945 -1.441 -10.722 1.00 0.00 C ATOM 517 C ASN A 34 12.681 -2.123 -9.573 1.00 0.00 C ATOM 518 O ASN A 34 13.911 -2.123 -9.521 1.00 0.00 O ATOM 519 CB ASN A 34 12.893 -0.487 -11.454 1.00 0.00 C ATOM 520 CG ASN A 34 13.734 -1.195 -12.498 1.00 0.00 C ATOM 521 OD1 ASN A 34 14.963 -1.199 -12.423 1.00 0.00 O ATOM 522 ND2 ASN A 34 13.073 -1.798 -13.479 1.00 0.00 N ATOM 0 H ASN A 34 9.910 -0.935 -10.728 1.00 0.00 H new ATOM 0 HA ASN A 34 11.603 -2.208 -11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.312 0.301 -11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.549 -0.004 -10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.585 -2.291 -14.211 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.054 -1.769 -13.501 1.00 0.00 H new ATOM 529 N LEU A 35 11.919 -2.705 -8.654 1.00 0.00 N ATOM 530 CA LEU A 35 12.498 -3.392 -7.504 1.00 0.00 C ATOM 531 C LEU A 35 13.318 -4.599 -7.947 1.00 0.00 C ATOM 532 O LEU A 35 13.188 -5.067 -9.078 1.00 0.00 O ATOM 533 CB LEU A 35 11.393 -3.837 -6.542 1.00 0.00 C ATOM 534 CG LEU A 35 10.513 -2.725 -5.970 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.267 -3.311 -5.325 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.294 -1.891 -4.966 1.00 0.00 C ATOM 0 H LEU A 35 10.899 -2.715 -8.682 1.00 0.00 H new ATOM 0 HA LEU A 35 13.160 -2.695 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.752 -4.549 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.855 -4.371 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 35 10.203 -2.075 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.652 -2.506 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.697 -3.865 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.557 -3.983 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.652 -1.104 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.634 -2.528 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.156 -1.442 -5.459 1.00 0.00 H new ATOM 548 N GLU A 36 14.160 -5.099 -7.048 1.00 0.00 N ATOM 549 CA GLU A 36 15.000 -6.252 -7.348 1.00 0.00 C ATOM 550 C GLU A 36 14.311 -7.550 -6.937 1.00 0.00 C ATOM 551 O GLU A 36 14.341 -7.938 -5.769 1.00 0.00 O ATOM 552 CB GLU A 36 16.347 -6.129 -6.633 1.00 0.00 C ATOM 553 CG GLU A 36 17.279 -5.104 -7.259 1.00 0.00 C ATOM 554 CD GLU A 36 16.937 -3.683 -6.854 1.00 0.00 C ATOM 555 OE1 GLU A 36 15.872 -3.185 -7.278 1.00 0.00 O ATOM 556 OE2 GLU A 36 17.735 -3.069 -6.115 1.00 0.00 O ATOM 0 H GLU A 36 14.278 -4.724 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 36 15.168 -6.276 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.172 -5.860 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.839 -7.102 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.305 -5.325 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.232 -5.190 -8.345 1.00 0.00 H new ATOM 563 N ARG A 37 13.689 -8.215 -7.905 1.00 0.00 N ATOM 564 CA ARG A 37 12.989 -9.467 -7.645 1.00 0.00 C ATOM 565 C ARG A 37 13.712 -10.281 -6.576 1.00 0.00 C ATOM 566 O ARG A 37 13.081 -10.965 -5.769 1.00 0.00 O ATOM 567 CB ARG A 37 12.870 -10.286 -8.932 1.00 0.00 C ATOM 568 CG ARG A 37 14.208 -10.749 -9.485 1.00 0.00 C ATOM 569 CD ARG A 37 14.969 -9.603 -10.133 1.00 0.00 C ATOM 570 NE ARG A 37 15.850 -10.065 -11.201 1.00 0.00 N ATOM 571 CZ ARG A 37 15.425 -10.379 -12.420 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.137 -10.280 -12.722 1.00 0.00 N ATOM 573 NH2 ARG A 37 16.288 -10.792 -13.339 1.00 0.00 N ATOM 0 H ARG A 37 13.656 -7.907 -8.877 1.00 0.00 H new ATOM 0 HA ARG A 37 11.990 -9.228 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.244 -11.158 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.361 -9.687 -9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 37 14.807 -11.176 -8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.046 -11.540 -10.217 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.260 -8.879 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 37 15.558 -9.085 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 37 16.846 -10.152 -11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.471 -9.962 -12.018 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.813 -10.522 -13.658 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.279 -10.869 -13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.961 -11.033 -14.275 1.00 0.00 H new ATOM 587 N ASP A 38 15.038 -10.203 -6.576 1.00 0.00 N ATOM 588 CA ASP A 38 15.847 -10.932 -5.606 1.00 0.00 C ATOM 589 C ASP A 38 16.066 -10.100 -4.347 1.00 0.00 C ATOM 590 O ASP A 38 15.981 -10.611 -3.231 1.00 0.00 O ATOM 591 CB ASP A 38 17.195 -11.315 -6.220 1.00 0.00 C ATOM 592 CG ASP A 38 18.253 -11.590 -5.168 1.00 0.00 C ATOM 593 OD1 ASP A 38 18.790 -10.616 -4.599 1.00 0.00 O ATOM 594 OD2 ASP A 38 18.543 -12.778 -4.915 1.00 0.00 O ATOM 0 H ASP A 38 15.576 -9.642 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 38 15.310 -11.840 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.069 -12.200 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.536 -10.511 -6.872 1.00 0.00 H new ATOM 599 N ASN A 39 16.350 -8.815 -4.534 1.00 0.00 N ATOM 600 CA ASN A 39 16.582 -7.912 -3.413 1.00 0.00 C ATOM 601 C ASN A 39 15.319 -7.125 -3.077 1.00 0.00 C ATOM 602 O ASN A 39 15.381 -5.933 -2.778 1.00 0.00 O ATOM 603 CB ASN A 39 17.726 -6.949 -3.736 1.00 0.00 C ATOM 604 CG ASN A 39 19.077 -7.493 -3.313 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.950 -7.734 -4.147 1.00 0.00 O ATOM 606 ND2 ASN A 39 19.255 -7.689 -2.012 1.00 0.00 N ATOM 0 H ASN A 39 16.425 -8.376 -5.452 1.00 0.00 H new ATOM 0 HA ASN A 39 16.855 -8.513 -2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.737 -6.749 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.548 -5.997 -3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.143 -8.053 -1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.503 -7.475 -1.357 1.00 0.00 H new ATOM 613 N GLN A 40 14.177 -7.801 -3.126 1.00 0.00 N ATOM 614 CA GLN A 40 12.899 -7.165 -2.827 1.00 0.00 C ATOM 615 C GLN A 40 12.602 -7.217 -1.333 1.00 0.00 C ATOM 616 O GLN A 40 11.887 -6.367 -0.802 1.00 0.00 O ATOM 617 CB GLN A 40 11.772 -7.844 -3.607 1.00 0.00 C ATOM 618 CG GLN A 40 11.484 -7.194 -4.950 1.00 0.00 C ATOM 619 CD GLN A 40 10.071 -7.455 -5.434 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.195 -6.596 -5.324 1.00 0.00 O ATOM 621 NE2 GLN A 40 9.840 -8.646 -5.974 1.00 0.00 N ATOM 0 H GLN A 40 14.110 -8.789 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 40 12.962 -6.120 -3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.032 -8.890 -3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.864 -7.830 -3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.644 -6.119 -4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.192 -7.568 -5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.595 -9.328 -6.046 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.908 -8.878 -6.317 1.00 0.00 H new ATOM 630 N GLU A 41 13.156 -8.220 -0.658 1.00 0.00 N ATOM 631 CA GLU A 41 12.949 -8.382 0.777 1.00 0.00 C ATOM 632 C GLU A 41 13.770 -7.365 1.563 1.00 0.00 C ATOM 633 O GLU A 41 13.283 -6.769 2.524 1.00 0.00 O ATOM 634 CB GLU A 41 13.322 -9.801 1.210 1.00 0.00 C ATOM 635 CG GLU A 41 12.525 -10.883 0.502 1.00 0.00 C ATOM 636 CD GLU A 41 13.025 -12.279 0.822 1.00 0.00 C ATOM 637 OE1 GLU A 41 14.215 -12.556 0.568 1.00 0.00 O ATOM 638 OE2 GLU A 41 12.223 -13.094 1.326 1.00 0.00 O ATOM 0 H GLU A 41 13.751 -8.932 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 41 11.894 -8.211 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.384 -9.962 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.171 -9.895 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.476 -10.802 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.576 -10.721 -0.575 1.00 0.00 H new ATOM 645 N GLN A 42 15.018 -7.173 1.149 1.00 0.00 N ATOM 646 CA GLN A 42 15.908 -6.230 1.815 1.00 0.00 C ATOM 647 C GLN A 42 15.235 -4.871 1.980 1.00 0.00 C ATOM 648 O GLN A 42 15.635 -4.067 2.822 1.00 0.00 O ATOM 649 CB GLN A 42 17.209 -6.076 1.026 1.00 0.00 C ATOM 650 CG GLN A 42 17.005 -5.541 -0.383 1.00 0.00 C ATOM 651 CD GLN A 42 18.190 -4.735 -0.878 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.253 -4.729 -0.258 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.012 -4.050 -2.002 1.00 0.00 N ATOM 0 H GLN A 42 15.436 -7.658 0.355 1.00 0.00 H new ATOM 0 HA GLN A 42 16.138 -6.625 2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.876 -5.405 1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.707 -7.044 0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.828 -6.375 -1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.111 -4.917 -0.405 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.113 -4.084 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.774 -3.490 -2.384 1.00 0.00 H new ATOM 662 N TYR A 43 14.212 -4.621 1.170 1.00 0.00 N ATOM 663 CA TYR A 43 13.486 -3.358 1.224 1.00 0.00 C ATOM 664 C TYR A 43 12.519 -3.335 2.403 1.00 0.00 C ATOM 665 O TYR A 43 12.252 -4.365 3.023 1.00 0.00 O ATOM 666 CB TYR A 43 12.722 -3.129 -0.082 1.00 0.00 C ATOM 667 CG TYR A 43 13.611 -2.748 -1.244 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.536 -1.717 -1.129 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.525 -3.419 -2.458 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.349 -1.366 -2.189 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.336 -3.075 -3.522 1.00 0.00 C ATOM 672 CZ TYR A 43 15.246 -2.048 -3.383 1.00 0.00 C ATOM 673 OH TYR A 43 16.054 -1.702 -4.442 1.00 0.00 O ATOM 0 H TYR A 43 13.867 -5.276 0.469 1.00 0.00 H new ATOM 0 HA TYR A 43 14.212 -2.556 1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.174 -4.036 -0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.983 -2.343 0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.620 -1.181 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.812 -4.223 -2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.062 -0.561 -2.083 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.258 -3.608 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 43 16.614 -2.467 -4.690 1.00 0.00 H new ATOM 683 N THR A 44 11.995 -2.152 2.708 1.00 0.00 N ATOM 684 CA THR A 44 11.057 -1.993 3.812 1.00 0.00 C ATOM 685 C THR A 44 10.007 -0.935 3.494 1.00 0.00 C ATOM 686 O THR A 44 10.182 -0.126 2.582 1.00 0.00 O ATOM 687 CB THR A 44 11.783 -1.604 5.114 1.00 0.00 C ATOM 688 OG1 THR A 44 12.381 -0.310 4.973 1.00 0.00 O ATOM 689 CG2 THR A 44 12.854 -2.627 5.463 1.00 0.00 C ATOM 0 H THR A 44 12.205 -1.290 2.205 1.00 0.00 H new ATOM 0 HA THR A 44 10.567 -2.957 3.951 1.00 0.00 H new ATOM 0 HB THR A 44 11.049 -1.580 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.839 -0.069 5.805 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.353 -2.331 6.386 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.393 -3.605 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.585 -2.678 4.656 1.00 0.00 H new ATOM 697 N THR A 45 8.915 -0.946 4.252 1.00 0.00 N ATOM 698 CA THR A 45 7.835 0.012 4.050 1.00 0.00 C ATOM 699 C THR A 45 8.381 1.423 3.861 1.00 0.00 C ATOM 700 O THR A 45 7.752 2.260 3.213 1.00 0.00 O ATOM 701 CB THR A 45 6.851 0.009 5.235 1.00 0.00 C ATOM 702 OG1 THR A 45 7.573 0.073 6.470 1.00 0.00 O ATOM 703 CG2 THR A 45 5.982 -1.239 5.213 1.00 0.00 C ATOM 0 H THR A 45 8.755 -1.608 5.011 1.00 0.00 H new ATOM 0 HA THR A 45 7.305 -0.294 3.148 1.00 0.00 H new ATOM 0 HB THR A 45 6.206 0.883 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.941 0.072 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.295 -1.219 6.059 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.413 -1.270 4.284 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.615 -2.124 5.280 1.00 0.00 H new ATOM 711 N ILE A 46 9.553 1.680 4.431 1.00 0.00 N ATOM 712 CA ILE A 46 10.183 2.991 4.324 1.00 0.00 C ATOM 713 C ILE A 46 10.776 3.203 2.935 1.00 0.00 C ATOM 714 O ILE A 46 10.280 4.017 2.156 1.00 0.00 O ATOM 715 CB ILE A 46 11.294 3.169 5.376 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.687 3.272 6.776 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.128 4.402 5.061 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.743 4.443 6.942 1.00 0.00 C ATOM 0 H ILE A 46 10.086 0.999 4.971 1.00 0.00 H new ATOM 0 HA ILE A 46 9.403 3.732 4.502 1.00 0.00 H new ATOM 0 HB ILE A 46 11.947 2.296 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.151 2.349 6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.492 3.358 7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.909 4.515 5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.585 4.291 4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.489 5.285 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.351 4.453 7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.279 5.373 6.751 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.918 4.348 6.236 1.00 0.00 H new ATOM 730 N GLN A 47 11.838 2.464 2.631 1.00 0.00 N ATOM 731 CA GLN A 47 12.497 2.570 1.334 1.00 0.00 C ATOM 732 C GLN A 47 11.475 2.590 0.204 1.00 0.00 C ATOM 733 O GLN A 47 11.575 3.393 -0.724 1.00 0.00 O ATOM 734 CB GLN A 47 13.472 1.409 1.136 1.00 0.00 C ATOM 735 CG GLN A 47 14.620 1.401 2.133 1.00 0.00 C ATOM 736 CD GLN A 47 15.869 0.744 1.580 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.327 1.077 0.486 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.429 -0.194 2.335 1.00 0.00 N ATOM 0 H GLN A 47 12.261 1.786 3.265 1.00 0.00 H new ATOM 0 HA GLN A 47 13.052 3.508 1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.926 0.469 1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.879 1.456 0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.851 2.426 2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.308 0.877 3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.016 -0.438 3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.272 -0.670 2.015 1.00 0.00 H new ATOM 747 N ILE A 48 10.491 1.701 0.287 1.00 0.00 N ATOM 748 CA ILE A 48 9.449 1.616 -0.730 1.00 0.00 C ATOM 749 C ILE A 48 8.593 2.877 -0.745 1.00 0.00 C ATOM 750 O ILE A 48 8.233 3.384 -1.807 1.00 0.00 O ATOM 751 CB ILE A 48 8.541 0.393 -0.504 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.366 -0.894 -0.529 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.446 0.346 -1.560 1.00 0.00 C ATOM 754 CD1 ILE A 48 9.951 -1.214 -1.886 1.00 0.00 C ATOM 0 H ILE A 48 10.393 1.029 1.048 1.00 0.00 H new ATOM 0 HA ILE A 48 9.952 1.511 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 48 8.072 0.483 0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.176 -0.810 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.737 -1.725 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.812 -0.524 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.843 1.252 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.898 0.276 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.523 -2.140 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.146 -1.331 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.607 -0.402 -2.200 1.00 0.00 H new ATOM 766 N ALA A 49 8.269 3.380 0.442 1.00 0.00 N ATOM 767 CA ALA A 49 7.457 4.584 0.567 1.00 0.00 C ATOM 768 C ALA A 49 8.042 5.728 -0.256 1.00 0.00 C ATOM 769 O ALA A 49 7.400 6.235 -1.174 1.00 0.00 O ATOM 770 CB ALA A 49 7.336 4.991 2.029 1.00 0.00 C ATOM 0 H ALA A 49 8.557 2.972 1.331 1.00 0.00 H new ATOM 0 HA ALA A 49 6.462 4.363 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.727 5.892 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.866 4.185 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.328 5.188 2.435 1.00 0.00 H new ATOM 776 N ASN A 50 9.263 6.128 0.082 1.00 0.00 N ATOM 777 CA ASN A 50 9.933 7.214 -0.626 1.00 0.00 C ATOM 778 C ASN A 50 9.853 7.010 -2.136 1.00 0.00 C ATOM 779 O ASN A 50 9.398 7.889 -2.866 1.00 0.00 O ATOM 780 CB ASN A 50 11.397 7.307 -0.190 1.00 0.00 C ATOM 781 CG ASN A 50 11.547 7.838 1.223 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.626 9.048 1.438 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.588 6.933 2.194 1.00 0.00 N ATOM 0 H ASN A 50 9.808 5.718 0.840 1.00 0.00 H new ATOM 0 HA ASN A 50 9.426 8.146 -0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.856 6.321 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.938 7.956 -0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.689 7.230 3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.519 5.940 1.969 1.00 0.00 H new ATOM 790 N MET A 51 10.298 5.846 -2.594 1.00 0.00 N ATOM 791 CA MET A 51 10.274 5.526 -4.017 1.00 0.00 C ATOM 792 C MET A 51 8.945 5.935 -4.644 1.00 0.00 C ATOM 793 O MET A 51 8.910 6.478 -5.748 1.00 0.00 O ATOM 794 CB MET A 51 10.514 4.030 -4.231 1.00 0.00 C ATOM 795 CG MET A 51 11.984 3.662 -4.353 1.00 0.00 C ATOM 796 SD MET A 51 12.232 2.028 -5.074 1.00 0.00 S ATOM 797 CE MET A 51 12.899 1.136 -3.672 1.00 0.00 C ATOM 0 H MET A 51 10.680 5.108 -2.002 1.00 0.00 H new ATOM 0 HA MET A 51 11.073 6.087 -4.503 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.077 3.478 -3.399 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.992 3.712 -5.134 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.491 4.407 -4.966 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.446 3.694 -3.366 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.071 0.096 -3.951 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.841 1.591 -3.366 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.191 1.177 -2.844 1.00 0.00 H new ATOM 807 N MET A 52 7.855 5.668 -3.933 1.00 0.00 N ATOM 808 CA MET A 52 6.523 6.010 -4.421 1.00 0.00 C ATOM 809 C MET A 52 6.277 7.512 -4.324 1.00 0.00 C ATOM 810 O MET A 52 5.865 8.146 -5.295 1.00 0.00 O ATOM 811 CB MET A 52 5.457 5.254 -3.626 1.00 0.00 C ATOM 812 CG MET A 52 5.531 3.744 -3.791 1.00 0.00 C ATOM 813 SD MET A 52 4.052 2.906 -3.191 1.00 0.00 S ATOM 814 CE MET A 52 3.285 2.424 -4.736 1.00 0.00 C ATOM 0 H MET A 52 7.867 5.217 -3.018 1.00 0.00 H new ATOM 0 HA MET A 52 6.461 5.717 -5.469 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.560 5.501 -2.569 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.471 5.597 -3.939 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.678 3.504 -4.844 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.401 3.366 -3.254 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.491 1.704 -4.539 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.865 3.304 -5.223 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.032 1.971 -5.387 1.00 0.00 H new ATOM 824 N GLU A 53 6.530 8.074 -3.145 1.00 0.00 N ATOM 825 CA GLU A 53 6.334 9.502 -2.923 1.00 0.00 C ATOM 826 C GLU A 53 6.759 10.307 -4.149 1.00 0.00 C ATOM 827 O GLU A 53 6.063 11.231 -4.567 1.00 0.00 O ATOM 828 CB GLU A 53 7.126 9.962 -1.697 1.00 0.00 C ATOM 829 CG GLU A 53 6.415 9.700 -0.381 1.00 0.00 C ATOM 830 CD GLU A 53 7.089 10.386 0.792 1.00 0.00 C ATOM 831 OE1 GLU A 53 6.905 11.610 0.950 1.00 0.00 O ATOM 832 OE2 GLU A 53 7.799 9.695 1.553 1.00 0.00 O ATOM 0 H GLU A 53 6.870 7.563 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 53 5.272 9.675 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.091 9.455 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.328 11.029 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.383 10.044 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.380 8.626 -0.198 1.00 0.00 H new ATOM 839 N GLU A 54 7.905 9.947 -4.718 1.00 0.00 N ATOM 840 CA GLU A 54 8.423 10.636 -5.893 1.00 0.00 C ATOM 841 C GLU A 54 7.778 10.098 -7.167 1.00 0.00 C ATOM 842 O GLU A 54 7.231 10.857 -7.968 1.00 0.00 O ATOM 843 CB GLU A 54 9.943 10.483 -5.974 1.00 0.00 C ATOM 844 CG GLU A 54 10.406 9.036 -6.041 1.00 0.00 C ATOM 845 CD GLU A 54 11.869 8.874 -5.676 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.231 9.200 -4.527 1.00 0.00 O ATOM 847 OE2 GLU A 54 12.649 8.421 -6.539 1.00 0.00 O ATOM 0 H GLU A 54 8.492 9.182 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 54 8.177 11.694 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.307 11.013 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.395 10.961 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.798 8.432 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.242 8.652 -7.048 1.00 0.00 H new ATOM 854 N LYS A 55 7.848 8.784 -7.350 1.00 0.00 N ATOM 855 CA LYS A 55 7.270 8.143 -8.524 1.00 0.00 C ATOM 856 C LYS A 55 5.802 8.521 -8.685 1.00 0.00 C ATOM 857 O LYS A 55 5.415 9.145 -9.673 1.00 0.00 O ATOM 858 CB LYS A 55 7.408 6.622 -8.420 1.00 0.00 C ATOM 859 CG LYS A 55 6.855 5.877 -9.623 1.00 0.00 C ATOM 860 CD LYS A 55 7.917 5.678 -10.691 1.00 0.00 C ATOM 861 CE LYS A 55 7.420 4.776 -11.810 1.00 0.00 C ATOM 862 NZ LYS A 55 6.610 5.526 -12.809 1.00 0.00 N ATOM 0 H LYS A 55 8.300 8.142 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 55 7.814 8.492 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.461 6.369 -8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.893 6.279 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.470 4.908 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.016 6.432 -10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.206 6.645 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.810 5.243 -10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.272 4.312 -12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.820 3.970 -11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.290 4.876 -13.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.783 5.948 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.190 6.279 -13.231 1.00 0.00 H new ATOM 876 N PHE A 56 4.987 8.141 -7.707 1.00 0.00 N ATOM 877 CA PHE A 56 3.560 8.441 -7.740 1.00 0.00 C ATOM 878 C PHE A 56 3.210 9.529 -6.729 1.00 0.00 C ATOM 879 O PHE A 56 2.763 9.257 -5.615 1.00 0.00 O ATOM 880 CB PHE A 56 2.745 7.179 -7.449 1.00 0.00 C ATOM 881 CG PHE A 56 3.406 5.915 -7.923 1.00 0.00 C ATOM 882 CD1 PHE A 56 3.232 5.473 -9.225 1.00 0.00 C ATOM 883 CD2 PHE A 56 4.202 5.171 -7.067 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.838 4.312 -9.663 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.811 4.009 -7.500 1.00 0.00 C ATOM 886 CZ PHE A 56 4.630 3.579 -8.800 1.00 0.00 C ATOM 0 H PHE A 56 5.290 7.624 -6.881 1.00 0.00 H new ATOM 0 HA PHE A 56 3.313 8.803 -8.738 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.571 7.108 -6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.768 7.269 -7.925 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.616 6.043 -9.905 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.348 5.503 -6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.693 3.977 -10.679 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.428 3.437 -6.823 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.106 2.672 -9.141 1.00 0.00 H new ATOM 896 N PRO A 57 3.419 10.794 -7.127 1.00 0.00 N ATOM 897 CA PRO A 57 3.132 11.949 -6.272 1.00 0.00 C ATOM 898 C PRO A 57 1.637 12.159 -6.062 1.00 0.00 C ATOM 899 O PRO A 57 1.224 12.994 -5.256 1.00 0.00 O ATOM 900 CB PRO A 57 3.733 13.123 -7.049 1.00 0.00 C ATOM 901 CG PRO A 57 3.726 12.679 -8.471 1.00 0.00 C ATOM 902 CD PRO A 57 3.950 11.191 -8.442 1.00 0.00 C ATOM 0 HA PRO A 57 3.544 11.827 -5.270 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.144 14.030 -6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.744 13.347 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.778 12.922 -8.951 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.509 13.180 -9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.426 10.689 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.006 10.941 -8.541 1.00 0.00 H new ATOM 910 N ALA A 58 0.829 11.395 -6.790 1.00 0.00 N ATOM 911 CA ALA A 58 -0.621 11.496 -6.682 1.00 0.00 C ATOM 912 C ALA A 58 -1.096 11.095 -5.290 1.00 0.00 C ATOM 913 O ALA A 58 -1.728 11.886 -4.587 1.00 0.00 O ATOM 914 CB ALA A 58 -1.291 10.630 -7.739 1.00 0.00 C ATOM 0 H ALA A 58 1.154 10.699 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.901 12.536 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.374 10.715 -7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.984 10.963 -8.730 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.996 9.590 -7.598 1.00 0.00 H new ATOM 920 N ASP A 59 -0.789 9.864 -4.896 1.00 0.00 N ATOM 921 CA ASP A 59 -1.186 9.359 -3.587 1.00 0.00 C ATOM 922 C ASP A 59 0.027 8.861 -2.807 1.00 0.00 C ATOM 923 O ASP A 59 -0.101 8.375 -1.683 1.00 0.00 O ATOM 924 CB ASP A 59 -2.207 8.231 -3.739 1.00 0.00 C ATOM 925 CG ASP A 59 -3.386 8.630 -4.604 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.011 9.671 -4.311 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.685 7.902 -5.574 1.00 0.00 O ATOM 0 H ASP A 59 -0.266 9.197 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.642 10.179 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.719 7.359 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.567 7.935 -2.753 1.00 0.00 H new ATOM 932 N SER A 60 1.205 8.985 -3.412 1.00 0.00 N ATOM 933 CA SER A 60 2.441 8.544 -2.776 1.00 0.00 C ATOM 934 C SER A 60 2.367 7.063 -2.415 1.00 0.00 C ATOM 935 O SER A 60 3.031 6.606 -1.485 1.00 0.00 O ATOM 936 CB SER A 60 2.718 9.373 -1.520 1.00 0.00 C ATOM 937 OG SER A 60 2.481 10.750 -1.757 1.00 0.00 O ATOM 0 H SER A 60 1.329 9.387 -4.341 1.00 0.00 H new ATOM 0 HA SER A 60 3.257 8.688 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.084 9.026 -0.704 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.751 9.227 -1.204 1.00 0.00 H new ATOM 0 HG SER A 60 2.663 11.259 -0.939 1.00 0.00 H new ATOM 943 N GLY A 61 1.553 6.319 -3.157 1.00 0.00 N ATOM 944 CA GLY A 61 1.406 4.898 -2.901 1.00 0.00 C ATOM 945 C GLY A 61 0.082 4.561 -2.243 1.00 0.00 C ATOM 946 O GLY A 61 -0.480 3.490 -2.475 1.00 0.00 O ATOM 0 H GLY A 61 0.992 6.675 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.491 4.352 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.222 4.561 -2.262 1.00 0.00 H new ATOM 950 N LEU A 62 -0.418 5.476 -1.420 1.00 0.00 N ATOM 951 CA LEU A 62 -1.685 5.271 -0.725 1.00 0.00 C ATOM 952 C LEU A 62 -2.713 4.625 -1.648 1.00 0.00 C ATOM 953 O LEU A 62 -3.411 3.690 -1.259 1.00 0.00 O ATOM 954 CB LEU A 62 -2.221 6.603 -0.197 1.00 0.00 C ATOM 955 CG LEU A 62 -3.718 6.649 0.109 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.028 5.861 1.373 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.190 8.088 0.247 1.00 0.00 C ATOM 0 H LEU A 62 0.034 6.367 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.507 4.600 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.676 6.856 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.996 7.378 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.254 6.190 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.098 5.905 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.726 4.822 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.482 6.291 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.258 8.101 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.648 8.572 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.003 8.623 -0.684 1.00 0.00 H new ATOM 969 N GLY A 63 -2.799 5.131 -2.875 1.00 0.00 N ATOM 970 CA GLY A 63 -3.743 4.589 -3.836 1.00 0.00 C ATOM 971 C GLY A 63 -3.343 3.214 -4.330 1.00 0.00 C ATOM 972 O GLY A 63 -4.014 2.222 -4.041 1.00 0.00 O ATOM 0 H GLY A 63 -2.233 5.906 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.731 4.534 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.822 5.268 -4.685 1.00 0.00 H new ATOM 976 N LYS A 64 -2.249 3.152 -5.079 1.00 0.00 N ATOM 977 CA LYS A 64 -1.758 1.888 -5.617 1.00 0.00 C ATOM 978 C LYS A 64 -1.925 0.764 -4.600 1.00 0.00 C ATOM 979 O LYS A 64 -2.159 -0.389 -4.967 1.00 0.00 O ATOM 980 CB LYS A 64 -0.286 2.016 -6.016 1.00 0.00 C ATOM 981 CG LYS A 64 0.140 1.034 -7.093 1.00 0.00 C ATOM 982 CD LYS A 64 -0.405 1.431 -8.456 1.00 0.00 C ATOM 983 CE LYS A 64 0.343 0.732 -9.580 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.064 -0.695 -9.714 1.00 0.00 N ATOM 0 H LYS A 64 -1.684 3.963 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.347 1.645 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.101 3.031 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.335 1.866 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.228 0.987 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.212 0.035 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.465 1.181 -8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.325 2.511 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.156 1.253 -10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.415 0.788 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.468 -1.136 -10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.137 -1.198 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.082 -0.748 -9.918 1.00 0.00 H new ATOM 998 N LEU A 65 -1.802 1.105 -3.322 1.00 0.00 N ATOM 999 CA LEU A 65 -1.940 0.123 -2.252 1.00 0.00 C ATOM 1000 C LEU A 65 -3.400 -0.280 -2.067 1.00 0.00 C ATOM 1001 O LEU A 65 -3.747 -1.456 -2.174 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.387 0.688 -0.942 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.283 -0.299 0.223 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.611 -0.397 0.958 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.844 -1.668 -0.275 1.00 0.00 C ATOM 0 H LEU A 65 -1.607 2.054 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.370 -0.763 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.395 1.097 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.020 1.520 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.531 0.069 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.519 -1.103 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.884 0.583 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.383 -0.742 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.775 -2.357 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.572 -2.045 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.131 -1.585 -0.756 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.250 0.704 -1.793 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.672 0.452 -1.598 1.00 0.00 C ATOM 1019 C ILE A 66 -6.156 -0.686 -2.489 1.00 0.00 C ATOM 1020 O ILE A 66 -6.774 -1.640 -2.016 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.513 1.709 -1.889 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.367 2.721 -0.750 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -7.974 1.335 -2.089 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.875 4.102 -1.101 1.00 0.00 C ATOM 0 H ILE A 66 -3.978 1.683 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.801 0.173 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.148 2.168 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.908 2.355 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.316 2.790 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.555 2.234 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.062 0.647 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.354 0.855 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.740 4.767 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.318 4.489 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.934 4.047 -1.354 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.869 -0.580 -3.783 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.275 -1.602 -4.742 1.00 0.00 C ATOM 1038 C GLU A 67 -5.795 -2.982 -4.301 1.00 0.00 C ATOM 1039 O GLU A 67 -6.578 -3.928 -4.220 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.723 -1.278 -6.131 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.404 -0.094 -6.796 1.00 0.00 C ATOM 1042 CD GLU A 67 -7.684 -0.483 -7.511 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -7.777 -1.640 -7.970 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -8.590 0.370 -7.612 1.00 0.00 O ATOM 0 H GLU A 67 -5.357 0.202 -4.191 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.364 -1.611 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.655 -1.074 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.832 -2.155 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.628 0.661 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.718 0.361 -7.510 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.500 -3.090 -4.018 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.915 -4.353 -3.587 1.00 0.00 C ATOM 1053 C PHE A 68 -4.784 -5.023 -2.528 1.00 0.00 C ATOM 1054 O PHE A 68 -4.973 -6.240 -2.543 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.506 -4.125 -3.037 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.914 -5.339 -2.381 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.519 -6.430 -3.141 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.751 -5.392 -1.006 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.975 -7.550 -2.540 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -1.205 -6.508 -0.401 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.818 -7.589 -1.168 1.00 0.00 C ATOM 0 H PHE A 68 -3.837 -2.317 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.858 -5.012 -4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.854 -3.808 -3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.534 -3.309 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.638 -6.404 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.054 -4.551 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.673 -8.394 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.081 -6.535 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.394 -8.463 -0.696 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.311 -4.221 -1.609 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.160 -4.735 -0.540 1.00 0.00 C ATOM 1073 C CYS A 69 -7.453 -5.313 -1.104 1.00 0.00 C ATOM 1074 O CYS A 69 -7.916 -6.365 -0.666 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.478 -3.626 0.464 1.00 0.00 C ATOM 1076 SG CYS A 69 -5.021 -2.918 1.268 1.00 0.00 S ATOM 0 H CYS A 69 -5.165 -3.212 -1.583 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.619 -5.532 -0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.019 -2.831 -0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.145 -4.024 1.229 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.392 -1.988 2.097 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.032 -4.617 -2.079 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.274 -5.062 -2.700 1.00 0.00 C ATOM 1084 C GLU A 70 -9.223 -6.555 -3.011 1.00 0.00 C ATOM 1085 O GLU A 70 -10.132 -7.303 -2.657 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.539 -4.272 -3.983 1.00 0.00 C ATOM 1087 CG GLU A 70 -9.763 -2.788 -3.749 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.248 -2.067 -4.992 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -10.947 -2.701 -5.809 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -9.928 -0.870 -5.147 1.00 0.00 O ATOM 0 H GLU A 70 -7.661 -3.744 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.087 -4.883 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.694 -4.401 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.414 -4.689 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.492 -2.656 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.832 -2.333 -3.410 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.153 -6.979 -3.675 1.00 0.00 N ATOM 1098 CA GLU A 71 -7.983 -8.382 -4.035 1.00 0.00 C ATOM 1099 C GLU A 71 -8.113 -9.278 -2.806 1.00 0.00 C ATOM 1100 O GLU A 71 -8.809 -10.293 -2.834 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.623 -8.601 -4.699 1.00 0.00 C ATOM 1102 CG GLU A 71 -6.358 -7.667 -5.868 1.00 0.00 C ATOM 1103 CD GLU A 71 -7.372 -7.830 -6.985 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -7.269 -8.820 -7.738 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -8.266 -6.967 -7.105 1.00 0.00 O ATOM 0 H GLU A 71 -7.391 -6.371 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.769 -8.647 -4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.839 -8.468 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.560 -9.632 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.374 -6.636 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.358 -7.855 -6.259 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.436 -8.894 -1.728 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.475 -9.662 -0.488 1.00 0.00 C ATOM 1114 C VAL A 72 -8.704 -9.306 0.340 1.00 0.00 C ATOM 1115 O VAL A 72 -8.918 -8.152 0.715 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.211 -9.423 0.358 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.148 -10.410 1.514 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -4.963 -9.521 -0.506 1.00 0.00 C ATOM 0 H VAL A 72 -6.855 -8.057 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.522 -10.715 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.258 -8.416 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.248 -10.226 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.026 -10.285 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.125 -11.427 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.080 -9.349 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.907 -10.514 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.007 -8.770 -1.295 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.531 -10.318 0.636 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.754 -10.137 1.425 1.00 0.00 C ATOM 1130 C PRO A 73 -10.458 -9.823 2.887 1.00 0.00 C ATOM 1131 O PRO A 73 -11.281 -9.229 3.583 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.461 -11.490 1.300 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.367 -12.464 1.027 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.339 -11.719 0.222 1.00 0.00 C ATOM 0 HA PRO A 73 -11.349 -9.296 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.997 -11.743 2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.194 -11.481 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.938 -12.839 1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.742 -13.328 0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.329 -12.067 0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.497 -11.847 -0.849 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.279 -10.226 3.347 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.874 -9.984 4.727 1.00 0.00 C ATOM 1144 C ALA A 74 -8.329 -8.571 4.900 1.00 0.00 C ATOM 1145 O ALA A 74 -8.307 -8.035 6.008 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.835 -11.009 5.158 1.00 0.00 C ATOM 0 H ALA A 74 -8.587 -10.722 2.785 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.755 -10.085 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.541 -10.817 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.258 -12.011 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.960 -10.934 4.512 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.892 -7.971 3.799 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.346 -6.618 3.829 1.00 0.00 C ATOM 1154 C LEU A 75 -8.417 -5.592 3.476 1.00 0.00 C ATOM 1155 O LEU A 75 -8.377 -4.452 3.943 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.171 -6.500 2.857 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.959 -7.383 3.158 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.809 -7.049 2.221 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.531 -7.224 4.609 1.00 0.00 C ATOM 0 H LEU A 75 -7.905 -8.400 2.874 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.994 -6.416 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.529 -6.738 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.843 -5.461 2.840 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.242 -8.423 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.956 -7.687 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.120 -7.215 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.526 -6.004 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.667 -7.859 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.267 -6.184 4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.352 -7.515 5.264 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.376 -6.003 2.654 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.459 -5.118 2.240 1.00 0.00 C ATOM 1173 C ARG A 76 -10.906 -4.229 3.396 1.00 0.00 C ATOM 1174 O ARG A 76 -11.266 -3.068 3.198 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.644 -5.937 1.724 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.563 -6.258 0.241 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.636 -7.252 -0.174 1.00 0.00 C ATOM 1178 NE ARG A 76 -13.912 -6.597 -0.451 1.00 0.00 N ATOM 1179 CZ ARG A 76 -15.056 -7.254 -0.607 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.085 -8.576 -0.513 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -16.176 -6.586 -0.857 1.00 0.00 N ATOM 0 H ARG A 76 -9.426 -6.943 2.261 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.089 -4.481 1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.703 -6.869 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.566 -5.389 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.672 -5.341 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.579 -6.665 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.306 -7.792 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.772 -7.990 0.617 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.925 -5.580 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.227 -9.093 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.965 -9.077 -0.633 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.158 -5.569 -0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.055 -7.090 -0.977 1.00 0.00 H new ATOM 1195 N LYS A 77 -10.882 -4.781 4.604 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.283 -4.038 5.793 1.00 0.00 C ATOM 1197 C LYS A 77 -10.557 -2.700 5.870 1.00 0.00 C ATOM 1198 O LYS A 77 -11.178 -1.657 6.079 1.00 0.00 O ATOM 1199 CB LYS A 77 -10.997 -4.859 7.053 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.755 -4.378 8.277 1.00 0.00 C ATOM 1201 CD LYS A 77 -11.877 -5.473 9.323 1.00 0.00 C ATOM 1202 CE LYS A 77 -10.604 -5.604 10.146 1.00 0.00 C ATOM 1203 NZ LYS A 77 -10.669 -6.754 11.090 1.00 0.00 N ATOM 0 H LYS A 77 -10.589 -5.741 4.786 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.354 -3.846 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.254 -5.901 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.928 -4.827 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.243 -3.517 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.749 -4.043 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.717 -5.255 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.094 -6.422 8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.752 -5.730 9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.437 -4.684 10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.783 -6.809 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.467 -6.622 11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.802 -7.636 10.555 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.239 -2.735 5.698 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.429 -1.524 5.747 1.00 0.00 C ATOM 1219 C ARG A 78 -8.657 -0.667 4.506 1.00 0.00 C ATOM 1220 O ARG A 78 -8.751 0.557 4.594 1.00 0.00 O ATOM 1221 CB ARG A 78 -6.947 -1.882 5.868 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.573 -2.482 7.214 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.265 -1.402 8.240 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.955 -1.966 9.552 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.277 -1.314 10.489 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -4.840 -0.083 10.261 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.034 -1.894 11.658 1.00 0.00 N ATOM 0 H ARG A 78 -8.710 -3.589 5.523 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.730 -0.950 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.687 -2.589 5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.350 -0.985 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.391 -3.106 7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.705 -3.131 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.422 -0.803 7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.119 -0.730 8.327 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.277 -2.911 9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.024 0.366 9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.319 0.415 10.983 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.368 -2.841 11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.513 -1.393 12.378 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.744 -1.318 3.352 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.962 -0.616 2.093 1.00 0.00 C ATOM 1243 C ALA A 79 -10.028 0.464 2.244 1.00 0.00 C ATOM 1244 O ALA A 79 -9.737 1.654 2.142 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.355 -1.600 1.001 1.00 0.00 C ATOM 0 H ALA A 79 -8.667 -2.331 3.262 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.028 -0.130 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.515 -1.062 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.558 -2.332 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.274 -2.112 1.286 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.264 0.038 2.488 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.373 0.971 2.652 1.00 0.00 C ATOM 1253 C GLU A 80 -12.009 2.083 3.631 1.00 0.00 C ATOM 1254 O GLU A 80 -12.337 3.250 3.411 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.621 0.233 3.141 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.448 -0.416 4.505 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.745 -0.982 5.050 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.763 -0.257 5.030 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.743 -2.147 5.498 1.00 0.00 O ATOM 0 H GLU A 80 -11.522 -0.945 2.576 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.583 1.421 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.454 0.934 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.888 -0.534 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.710 -1.214 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.054 0.320 5.206 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.332 1.712 4.713 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.923 2.678 5.725 1.00 0.00 C ATOM 1268 C ILE A 81 -9.989 3.730 5.137 1.00 0.00 C ATOM 1269 O ILE A 81 -10.116 4.920 5.427 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.221 1.989 6.910 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.183 1.029 7.614 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.688 3.025 7.888 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.488 0.013 8.492 1.00 0.00 C ATOM 0 H ILE A 81 -11.056 0.750 4.911 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.831 3.162 6.083 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.378 1.413 6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.880 1.606 8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.774 0.505 6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.195 2.521 8.719 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.972 3.671 7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.514 3.626 8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.231 -0.633 8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.812 -0.590 7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.919 0.529 9.265 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.052 3.284 4.308 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.097 4.187 3.675 1.00 0.00 C ATOM 1287 C LEU A 82 -8.812 5.214 2.805 1.00 0.00 C ATOM 1288 O LEU A 82 -8.497 6.403 2.843 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.096 3.394 2.832 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.221 2.395 3.591 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.425 1.538 2.619 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.290 3.123 4.549 1.00 0.00 C ATOM 0 H LEU A 82 -8.933 2.302 4.058 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.560 4.717 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.648 2.853 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.444 4.101 2.318 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.870 1.741 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.808 0.833 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.110 0.989 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.786 2.177 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.675 2.397 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.647 3.801 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.880 3.693 5.267 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.778 4.747 2.021 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.542 5.624 1.143 1.00 0.00 C ATOM 1306 C LYS A 83 -11.225 6.731 1.939 1.00 0.00 C ATOM 1307 O LYS A 83 -11.177 7.902 1.561 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.588 4.819 0.368 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.987 3.811 -0.596 1.00 0.00 C ATOM 1310 CD LYS A 83 -12.011 2.771 -1.024 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.340 1.492 -1.500 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.282 0.339 -1.502 1.00 0.00 N ATOM 0 H LYS A 83 -10.050 3.765 1.976 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.849 6.083 0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.229 4.294 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.225 5.507 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.604 4.330 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.139 3.315 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.674 2.546 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.631 3.177 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.946 1.641 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.491 1.266 -0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.787 -0.514 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.639 0.180 -0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.080 0.544 -2.137 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.859 6.354 3.044 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.550 7.315 3.897 1.00 0.00 C ATOM 1328 C LYS A 84 -11.694 8.557 4.120 1.00 0.00 C ATOM 1329 O LYS A 84 -12.144 9.680 3.895 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.900 6.675 5.241 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.520 7.644 6.233 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.307 6.913 7.309 1.00 0.00 C ATOM 1333 CE LYS A 84 -15.663 6.457 6.794 1.00 0.00 C ATOM 1334 NZ LYS A 84 -16.625 7.589 6.683 1.00 0.00 N ATOM 0 H LYS A 84 -11.909 5.389 3.371 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.470 7.615 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.591 5.849 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.996 6.250 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.736 8.242 6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.178 8.335 5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.738 6.049 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.445 7.568 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.541 5.987 5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.070 5.699 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.575 7.219 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.646 8.116 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.327 8.224 5.915 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.459 8.347 4.564 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.541 9.452 4.817 1.00 0.00 C ATOM 1350 C GLU A 85 -9.030 10.047 3.507 1.00 0.00 C ATOM 1351 O GLU A 85 -9.091 11.258 3.298 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.361 8.978 5.668 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.774 8.384 7.004 1.00 0.00 C ATOM 1354 CD GLU A 85 -9.172 9.442 8.015 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -8.267 10.035 8.639 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -10.387 9.676 8.182 1.00 0.00 O ATOM 0 H GLU A 85 -10.071 7.423 4.756 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.085 10.225 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.796 8.233 5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.691 9.819 5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.609 7.701 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.950 7.795 7.406 1.00 0.00 H new ATOM 1363 N ARG A 86 -8.526 9.185 2.629 1.00 0.00 N ATOM 1364 CA ARG A 86 -8.004 9.624 1.341 1.00 0.00 C ATOM 1365 C ARG A 86 -8.863 10.743 0.759 1.00 0.00 C ATOM 1366 O ARG A 86 -8.347 11.772 0.324 1.00 0.00 O ATOM 1367 CB ARG A 86 -7.946 8.449 0.362 1.00 0.00 C ATOM 1368 CG ARG A 86 -7.726 8.870 -1.081 1.00 0.00 C ATOM 1369 CD ARG A 86 -7.638 7.665 -2.005 1.00 0.00 C ATOM 1370 NE ARG A 86 -7.564 8.057 -3.410 1.00 0.00 N ATOM 1371 CZ ARG A 86 -8.592 8.556 -4.088 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -9.764 8.725 -3.494 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -8.446 8.890 -5.364 1.00 0.00 N ATOM 0 H ARG A 86 -8.468 8.179 2.787 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.996 10.007 1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.142 7.776 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.876 7.885 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.543 9.517 -1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.809 9.455 -1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.759 7.074 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.508 7.027 -1.852 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.675 7.941 -3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.880 8.472 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.551 9.108 -4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.545 8.764 -5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.235 9.273 -5.884 1.00 0.00 H new ATOM 1387 N SER A 87 -10.175 10.533 0.755 1.00 0.00 N ATOM 1388 CA SER A 87 -11.106 11.523 0.223 1.00 0.00 C ATOM 1389 C SER A 87 -11.217 12.723 1.159 1.00 0.00 C ATOM 1390 O SER A 87 -11.977 12.699 2.126 1.00 0.00 O ATOM 1391 CB SER A 87 -12.485 10.896 0.013 1.00 0.00 C ATOM 1392 OG SER A 87 -13.192 11.553 -1.024 1.00 0.00 O ATOM 0 H SER A 87 -10.618 9.687 1.114 1.00 0.00 H new ATOM 0 HA SER A 87 -10.722 11.868 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.374 9.840 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.058 10.951 0.939 1.00 0.00 H new ATOM 0 HG SER A 87 -14.069 11.132 -1.139 1.00 0.00 H new ATOM 1398 N GLU A 88 -10.453 13.769 0.862 1.00 0.00 N ATOM 1399 CA GLU A 88 -10.464 14.978 1.677 1.00 0.00 C ATOM 1400 C GLU A 88 -11.140 16.128 0.935 1.00 0.00 C ATOM 1401 O GLU A 88 -11.857 16.930 1.531 1.00 0.00 O ATOM 1402 CB GLU A 88 -9.037 15.374 2.063 1.00 0.00 C ATOM 1403 CG GLU A 88 -8.351 14.367 2.970 1.00 0.00 C ATOM 1404 CD GLU A 88 -7.036 14.880 3.524 1.00 0.00 C ATOM 1405 OE1 GLU A 88 -7.069 15.700 4.466 1.00 0.00 O ATOM 1406 OE2 GLU A 88 -5.975 14.465 3.014 1.00 0.00 O ATOM 0 H GLU A 88 -9.819 13.804 0.064 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.032 14.769 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.445 15.496 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.060 16.343 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.016 14.117 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.172 13.446 2.415 1.00 0.00 H new ATOM 1413 N SER A 89 -10.903 16.201 -0.371 1.00 0.00 N ATOM 1414 CA SER A 89 -11.484 17.255 -1.195 1.00 0.00 C ATOM 1415 C SER A 89 -12.741 16.760 -1.904 1.00 0.00 C ATOM 1416 O SER A 89 -13.795 17.391 -1.836 1.00 0.00 O ATOM 1417 CB SER A 89 -10.465 17.746 -2.225 1.00 0.00 C ATOM 1418 OG SER A 89 -9.372 18.391 -1.594 1.00 0.00 O ATOM 0 H SER A 89 -10.313 15.543 -0.881 1.00 0.00 H new ATOM 0 HA SER A 89 -11.758 18.083 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.103 16.903 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.947 18.435 -2.918 1.00 0.00 H new ATOM 0 HG SER A 89 -8.734 18.694 -2.274 1.00 0.00 H new ATOM 1424 N GLY A 90 -12.621 15.624 -2.584 1.00 0.00 N ATOM 1425 CA GLY A 90 -13.754 15.062 -3.296 1.00 0.00 C ATOM 1426 C GLY A 90 -13.342 14.339 -4.564 1.00 0.00 C ATOM 1427 O GLY A 90 -12.160 14.245 -4.893 1.00 0.00 O ATOM 0 H GLY A 90 -11.759 15.083 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.283 14.369 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.453 15.860 -3.547 1.00 0.00 H new ATOM 1431 N PRO A 91 -14.333 13.811 -5.297 1.00 0.00 N ATOM 1432 CA PRO A 91 -14.093 13.083 -6.546 1.00 0.00 C ATOM 1433 C PRO A 91 -13.617 13.999 -7.669 1.00 0.00 C ATOM 1434 O PRO A 91 -13.417 13.558 -8.800 1.00 0.00 O ATOM 1435 CB PRO A 91 -15.464 12.493 -6.883 1.00 0.00 C ATOM 1436 CG PRO A 91 -16.441 13.399 -6.216 1.00 0.00 C ATOM 1437 CD PRO A 91 -15.766 13.886 -4.964 1.00 0.00 C ATOM 0 HA PRO A 91 -13.307 12.335 -6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -15.627 12.460 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.557 11.471 -6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.707 14.233 -6.866 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -17.365 12.871 -5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.068 14.903 -4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -16.012 13.261 -4.106 1.00 0.00 H new ATOM 1445 N SER A 92 -13.438 15.277 -7.348 1.00 0.00 N ATOM 1446 CA SER A 92 -12.989 16.255 -8.331 1.00 0.00 C ATOM 1447 C SER A 92 -12.017 15.623 -9.322 1.00 0.00 C ATOM 1448 O SER A 92 -10.895 15.262 -8.965 1.00 0.00 O ATOM 1449 CB SER A 92 -12.322 17.442 -7.632 1.00 0.00 C ATOM 1450 OG SER A 92 -13.271 18.208 -6.911 1.00 0.00 O ATOM 0 H SER A 92 -13.597 15.658 -6.415 1.00 0.00 H new ATOM 0 HA SER A 92 -13.862 16.608 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.550 17.081 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.827 18.072 -8.371 1.00 0.00 H new ATOM 0 HG SER A 92 -12.820 18.959 -6.472 1.00 0.00 H new ATOM 1456 N SER A 93 -12.455 15.492 -10.570 1.00 0.00 N ATOM 1457 CA SER A 93 -11.627 14.900 -11.614 1.00 0.00 C ATOM 1458 C SER A 93 -10.493 15.843 -12.008 1.00 0.00 C ATOM 1459 O SER A 93 -9.363 15.413 -12.234 1.00 0.00 O ATOM 1460 CB SER A 93 -12.476 14.567 -12.841 1.00 0.00 C ATOM 1461 OG SER A 93 -11.877 13.540 -13.613 1.00 0.00 O ATOM 0 H SER A 93 -13.380 15.788 -10.883 1.00 0.00 H new ATOM 0 HA SER A 93 -11.193 13.981 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.471 14.255 -12.525 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.602 15.460 -13.453 1.00 0.00 H new ATOM 0 HG SER A 93 -12.440 13.345 -14.391 1.00 0.00 H new ATOM 1467 N GLY A 94 -10.805 17.133 -12.087 1.00 0.00 N ATOM 1468 CA GLY A 94 -9.804 18.117 -12.454 1.00 0.00 C ATOM 1469 C GLY A 94 -9.739 19.271 -11.473 1.00 0.00 C ATOM 1470 O GLY A 94 -10.759 19.684 -10.921 1.00 0.00 O ATOM 0 H GLY A 94 -11.733 17.514 -11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.828 17.635 -12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.025 18.502 -13.449 1.00 0.00 H new TER 1474 GLY A 94