USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 748 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: B 8 ASN :FLIP amide:sc= -3.08! C(o=-4.8!,f=-3.8!) USER MOD Set 1.2: B 16 GLN :FLIP amide:sc= -0.748 F(o=-13!,f=-3.8) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -152:sc= 1.28 (180deg=0) USER MOD Set 2.2: A 8 ASN :FLIP amide:sc= 1.18 F(o=-9.6!,f=2.5) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.303 F(o=-5.3!,f=-0.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.82) USER MOD Single : A 20 SER OG : rot -12:sc= 0.836 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 140:sc= -0.0271 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -127:sc= 0.77 (180deg=-0.101) USER MOD Single : A 37 ASN : amide:sc= -2.33! C(o=-2.3!,f=-4.1!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN :FLIP amide:sc= -0.205 F(o=-2.8!,f=-0.21) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 120:sc= -0.0411 USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0903) USER MOD Single : B 37 ASN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 4.323 3.809 2.234 1.00 0.00 N ATOM 13 CA GLU A 2 4.396 2.742 3.224 1.00 0.00 C ATOM 14 C GLU A 2 4.142 1.384 2.577 1.00 0.00 C ATOM 15 O GLU A 2 4.617 0.361 3.061 1.00 0.00 O ATOM 16 CB GLU A 2 3.397 2.991 4.356 1.00 0.00 C ATOM 17 CG GLU A 2 3.475 1.962 5.471 1.00 0.00 C ATOM 18 CD GLU A 2 2.630 2.335 6.674 1.00 0.00 C ATOM 19 OE1 GLU A 2 2.027 3.428 6.660 1.00 0.00 O ATOM 20 OE2 GLU A 2 2.577 1.537 7.632 1.00 0.00 O ATOM 0 HA GLU A 2 5.402 2.737 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.574 3.982 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.388 2.994 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.149 0.994 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.513 1.849 5.783 1.00 0.00 H new ATOM 27 N ALA A 3 3.399 1.389 1.474 1.00 0.00 N ATOM 28 CA ALA A 3 3.089 0.161 0.746 1.00 0.00 C ATOM 29 C ALA A 3 4.310 -0.305 -0.025 1.00 0.00 C ATOM 30 O ALA A 3 4.444 -1.471 -0.386 1.00 0.00 O ATOM 31 CB ALA A 3 1.922 0.387 -0.200 1.00 0.00 C ATOM 0 H ALA A 3 2.999 2.232 1.063 1.00 0.00 H new ATOM 0 HA ALA A 3 2.808 -0.611 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.703 -0.537 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.045 0.692 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.179 1.168 -0.915 1.00 0.00 H new ATOM 37 N LEU A 4 5.191 0.638 -0.272 1.00 0.00 N ATOM 38 CA LEU A 4 6.418 0.398 -0.994 1.00 0.00 C ATOM 39 C LEU A 4 7.483 -0.128 -0.040 1.00 0.00 C ATOM 40 O LEU A 4 8.204 -1.077 -0.344 1.00 0.00 O ATOM 41 CB LEU A 4 6.865 1.716 -1.622 1.00 0.00 C ATOM 42 CG LEU A 4 5.951 2.286 -2.721 1.00 0.00 C ATOM 43 CD1 LEU A 4 4.474 2.144 -2.367 1.00 0.00 C ATOM 44 CD2 LEU A 4 6.289 3.745 -2.961 1.00 0.00 C ATOM 0 H LEU A 4 5.073 1.606 0.027 1.00 0.00 H new ATOM 0 HA LEU A 4 6.263 -0.348 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.955 2.460 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.861 1.576 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 4 6.126 1.711 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.866 2.559 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.231 1.090 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.268 2.682 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.640 4.145 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.141 4.309 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.329 3.831 -3.276 1.00 0.00 H new ATOM 56 N LYS A 5 7.564 0.512 1.120 1.00 0.00 N ATOM 57 CA LYS A 5 8.520 0.154 2.158 1.00 0.00 C ATOM 58 C LYS A 5 8.050 -1.047 2.974 1.00 0.00 C ATOM 59 O LYS A 5 8.864 -1.768 3.554 1.00 0.00 O ATOM 60 CB LYS A 5 8.763 1.347 3.079 1.00 0.00 C ATOM 61 CG LYS A 5 9.739 1.048 4.202 1.00 0.00 C ATOM 62 CD LYS A 5 10.975 0.342 3.678 1.00 0.00 C ATOM 63 CE LYS A 5 11.984 0.095 4.790 1.00 0.00 C ATOM 64 NZ LYS A 5 13.234 -0.532 4.278 1.00 0.00 N ATOM 0 H LYS A 5 6.964 1.299 1.368 1.00 0.00 H new ATOM 0 HA LYS A 5 9.452 -0.124 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.143 2.181 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.813 1.666 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.028 1.977 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.253 0.427 4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.690 -0.608 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.435 0.943 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.225 1.040 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.539 -0.550 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.671 -1.100 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.009 -1.145 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.896 0.211 3.976 1.00 0.00 H new ATOM 78 N ILE A 6 6.740 -1.264 3.019 1.00 0.00 N ATOM 79 CA ILE A 6 6.180 -2.378 3.766 1.00 0.00 C ATOM 80 C ILE A 6 6.833 -3.661 3.303 1.00 0.00 C ATOM 81 O ILE A 6 7.426 -4.404 4.085 1.00 0.00 O ATOM 82 CB ILE A 6 4.646 -2.472 3.557 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.037 -3.636 4.340 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.303 -2.612 2.088 1.00 0.00 C ATOM 85 CD1 ILE A 6 4.439 -5.017 3.860 1.00 0.00 C ATOM 0 H ILE A 6 6.049 -0.682 2.546 1.00 0.00 H new ATOM 0 HA ILE A 6 6.371 -2.220 4.827 1.00 0.00 H new ATOM 0 HB ILE A 6 4.219 -1.543 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.321 -3.536 5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.951 -3.555 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.221 -2.676 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.676 -1.745 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.765 -3.516 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.955 -5.772 4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.130 -5.146 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.521 -5.127 3.933 1.00 0.00 H new ATOM 97 N LEU A 7 6.725 -3.895 2.011 1.00 0.00 N ATOM 98 CA LEU A 7 7.297 -5.061 1.391 1.00 0.00 C ATOM 99 C LEU A 7 8.699 -4.720 0.924 1.00 0.00 C ATOM 100 O LEU A 7 9.487 -5.593 0.558 1.00 0.00 O ATOM 101 CB LEU A 7 6.404 -5.525 0.229 1.00 0.00 C ATOM 102 CG LEU A 7 6.906 -5.210 -1.184 1.00 0.00 C ATOM 103 CD1 LEU A 7 7.827 -6.312 -1.687 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.733 -5.023 -2.130 1.00 0.00 C ATOM 0 H LEU A 7 6.236 -3.277 1.364 1.00 0.00 H new ATOM 0 HA LEU A 7 7.358 -5.885 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.269 -6.604 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.421 -5.071 0.351 1.00 0.00 H new ATOM 0 HG LEU A 7 7.476 -4.281 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.172 -6.068 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.685 -6.401 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.285 -7.257 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.104 -4.800 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.140 -5.937 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.112 -4.198 -1.781 1.00 0.00 H new ATOM 116 N ASN A 8 8.993 -3.421 0.953 1.00 0.00 N ATOM 117 CA ASN A 8 10.301 -2.917 0.541 1.00 0.00 C ATOM 118 C ASN A 8 10.536 -3.194 -0.944 1.00 0.00 C ATOM 119 O ASN A 8 11.660 -3.455 -1.370 1.00 0.00 O ATOM 120 CB ASN A 8 11.407 -3.564 1.386 1.00 0.00 C ATOM 121 CG ASN A 8 12.742 -2.850 1.269 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.262 -2.387 2.398 1.00 0.00 O flip ATOM 123 ND2 ASN A 8 13.306 -2.722 0.184 1.00 0.00 N flip ATOM 0 H ASN A 8 8.342 -2.698 1.258 1.00 0.00 H new ATOM 0 HA ASN A 8 10.325 -1.839 0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.098 -3.575 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.529 -4.603 1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.874 -3.092 -0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.206 -2.246 0.130 1.00 0.00 H new ATOM 130 N ASN A 9 9.461 -3.122 -1.726 1.00 0.00 N ATOM 131 CA ASN A 9 9.524 -3.354 -3.165 1.00 0.00 C ATOM 132 C ASN A 9 10.057 -4.752 -3.492 1.00 0.00 C ATOM 133 O ASN A 9 11.103 -5.168 -2.996 1.00 0.00 O ATOM 134 CB ASN A 9 10.398 -2.290 -3.835 1.00 0.00 C ATOM 135 CG ASN A 9 9.877 -0.872 -3.645 1.00 0.00 C ATOM 136 OD1 ASN A 9 8.766 -0.718 -2.924 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 10.472 0.084 -4.142 1.00 0.00 N flip ATOM 0 H ASN A 9 8.527 -2.902 -1.381 1.00 0.00 H new ATOM 0 HA ASN A 9 8.508 -3.286 -3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.409 -2.355 -3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.465 -2.505 -4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.320 -0.071 -4.688 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.118 1.031 -4.008 1.00 0.00 H new ATOM 144 N ILE A 10 9.322 -5.469 -4.337 1.00 0.00 N ATOM 145 CA ILE A 10 9.700 -6.820 -4.748 1.00 0.00 C ATOM 146 C ILE A 10 11.101 -6.861 -5.352 1.00 0.00 C ATOM 147 O ILE A 10 11.786 -7.880 -5.275 1.00 0.00 O ATOM 148 CB ILE A 10 8.698 -7.414 -5.758 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.572 -6.532 -7.010 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.346 -7.614 -5.092 1.00 0.00 C ATOM 151 CD1 ILE A 10 7.867 -5.210 -6.777 1.00 0.00 C ATOM 0 H ILE A 10 8.454 -5.134 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 10 9.689 -7.424 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 10 9.074 -8.384 -6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.570 -6.334 -7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.033 -7.087 -7.778 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.644 -8.034 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.453 -8.297 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.970 -6.655 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.822 -4.652 -7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.855 -5.396 -6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.416 -4.631 -6.035 1.00 0.00 H new ATOM 163 N ARG A 11 11.526 -5.756 -5.956 1.00 0.00 N ATOM 164 CA ARG A 11 12.849 -5.685 -6.571 1.00 0.00 C ATOM 165 C ARG A 11 13.950 -5.968 -5.547 1.00 0.00 C ATOM 166 O ARG A 11 14.800 -6.838 -5.755 1.00 0.00 O ATOM 167 CB ARG A 11 13.060 -4.312 -7.212 1.00 0.00 C ATOM 168 CG ARG A 11 12.818 -3.146 -6.265 1.00 0.00 C ATOM 169 CD ARG A 11 12.992 -1.812 -6.971 1.00 0.00 C ATOM 170 NE ARG A 11 12.075 -1.668 -8.099 1.00 0.00 N ATOM 171 CZ ARG A 11 12.053 -0.609 -8.901 1.00 0.00 C ATOM 172 NH1 ARG A 11 12.898 0.394 -8.706 1.00 0.00 N ATOM 173 NH2 ARG A 11 11.186 -0.552 -9.903 1.00 0.00 N ATOM 0 H ARG A 11 10.977 -4.900 -6.033 1.00 0.00 H new ATOM 0 HA ARG A 11 12.905 -6.450 -7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.080 -4.252 -7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.393 -4.216 -8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.811 -3.213 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.510 -3.208 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.825 -1.002 -6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.019 -1.720 -7.324 1.00 0.00 H new ATOM 0 HE ARG A 11 11.414 -2.423 -8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.568 0.354 -7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.878 1.205 -9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.535 -1.322 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.170 0.262 -10.518 1.00 0.00 H new ATOM 187 N THR A 12 13.922 -5.240 -4.437 1.00 0.00 N ATOM 188 CA THR A 12 14.908 -5.421 -3.377 1.00 0.00 C ATOM 189 C THR A 12 14.647 -6.717 -2.618 1.00 0.00 C ATOM 190 O THR A 12 15.574 -7.385 -2.153 1.00 0.00 O ATOM 191 CB THR A 12 14.890 -4.242 -2.387 1.00 0.00 C ATOM 192 OG1 THR A 12 15.213 -3.024 -3.069 1.00 0.00 O ATOM 193 CG2 THR A 12 15.876 -4.470 -1.252 1.00 0.00 C ATOM 0 H THR A 12 13.227 -4.518 -4.247 1.00 0.00 H new ATOM 0 HA THR A 12 15.889 -5.466 -3.850 1.00 0.00 H new ATOM 0 HB THR A 12 13.888 -4.168 -1.965 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.198 -2.279 -2.433 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.844 -3.623 -0.567 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.609 -5.381 -0.716 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.882 -4.570 -1.659 1.00 0.00 H new ATOM 201 N LEU A 13 13.369 -7.056 -2.491 1.00 0.00 N ATOM 202 CA LEU A 13 12.958 -8.260 -1.784 1.00 0.00 C ATOM 203 C LEU A 13 13.493 -9.529 -2.437 1.00 0.00 C ATOM 204 O LEU A 13 14.208 -10.302 -1.804 1.00 0.00 O ATOM 205 CB LEU A 13 11.438 -8.338 -1.704 1.00 0.00 C ATOM 206 CG LEU A 13 10.891 -9.737 -1.420 1.00 0.00 C ATOM 207 CD1 LEU A 13 11.575 -10.345 -0.206 1.00 0.00 C ATOM 208 CD2 LEU A 13 9.390 -9.688 -1.225 1.00 0.00 C ATOM 0 H LEU A 13 12.597 -6.509 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 13 13.381 -8.194 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.092 -7.661 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.018 -7.981 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 13 11.104 -10.372 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.171 -11.340 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.647 -10.417 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.398 -9.714 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.016 -10.692 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.154 -9.037 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.918 -9.299 -2.128 1.00 0.00 H new ATOM 220 N ARG A 14 13.121 -9.752 -3.691 1.00 0.00 N ATOM 221 CA ARG A 14 13.542 -10.939 -4.419 1.00 0.00 C ATOM 222 C ARG A 14 15.030 -11.206 -4.233 1.00 0.00 C ATOM 223 O ARG A 14 15.486 -12.341 -4.360 1.00 0.00 O ATOM 224 CB ARG A 14 13.212 -10.774 -5.898 1.00 0.00 C ATOM 225 CG ARG A 14 13.471 -12.014 -6.724 1.00 0.00 C ATOM 226 CD ARG A 14 12.830 -11.894 -8.090 1.00 0.00 C ATOM 227 NE ARG A 14 12.982 -13.114 -8.876 1.00 0.00 N ATOM 228 CZ ARG A 14 12.431 -13.294 -10.071 1.00 0.00 C ATOM 229 NH1 ARG A 14 11.681 -12.341 -10.606 1.00 0.00 N ATOM 230 NH2 ARG A 14 12.621 -14.430 -10.727 1.00 0.00 N ATOM 0 H ARG A 14 12.525 -9.121 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 14 13.002 -11.798 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.163 -10.495 -5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.800 -9.950 -6.302 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.545 -12.166 -6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.076 -12.889 -6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.770 -11.667 -7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.278 -11.058 -8.628 1.00 0.00 H new ATOM 0 HE ARG A 14 13.543 -13.871 -8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.527 -11.469 -10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.258 -12.480 -11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.191 -15.168 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.197 -14.566 -11.645 1.00 0.00 H new ATOM 244 N ALA A 15 15.777 -10.153 -3.932 1.00 0.00 N ATOM 245 CA ALA A 15 17.215 -10.264 -3.725 1.00 0.00 C ATOM 246 C ALA A 15 17.547 -10.639 -2.288 1.00 0.00 C ATOM 247 O ALA A 15 18.315 -11.570 -2.039 1.00 0.00 O ATOM 248 CB ALA A 15 17.892 -8.959 -4.077 1.00 0.00 C ATOM 0 H ALA A 15 15.409 -9.208 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 15 17.582 -11.057 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.966 -9.052 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.699 -8.719 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.500 -8.163 -3.444 1.00 0.00 H new ATOM 254 N GLN A 16 16.966 -9.909 -1.342 1.00 0.00 N ATOM 255 CA GLN A 16 17.208 -10.172 0.075 1.00 0.00 C ATOM 256 C GLN A 16 16.638 -11.528 0.460 1.00 0.00 C ATOM 257 O GLN A 16 17.180 -12.233 1.312 1.00 0.00 O ATOM 258 CB GLN A 16 16.587 -9.071 0.937 1.00 0.00 C ATOM 259 CG GLN A 16 15.139 -8.779 0.586 1.00 0.00 C ATOM 260 CD GLN A 16 14.540 -7.651 1.403 1.00 0.00 C ATOM 261 OE1 GLN A 16 15.148 -6.590 1.557 1.00 0.00 O ATOM 262 NE2 GLN A 16 13.330 -7.862 1.909 1.00 0.00 N ATOM 0 H GLN A 16 16.328 -9.135 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 16 18.284 -10.181 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.648 -9.362 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.172 -8.158 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.073 -8.527 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.547 -9.682 0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.862 -8.756 1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.868 -7.130 2.449 1.00 0.00 H new ATOM 271 N ALA A 17 15.547 -11.878 -0.196 1.00 0.00 N ATOM 272 CA ALA A 17 14.875 -13.145 0.030 1.00 0.00 C ATOM 273 C ALA A 17 15.486 -14.227 -0.832 1.00 0.00 C ATOM 274 O ALA A 17 15.335 -15.415 -0.552 1.00 0.00 O ATOM 275 CB ALA A 17 13.394 -13.023 -0.262 1.00 0.00 C ATOM 0 H ALA A 17 15.101 -11.291 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 17 15.002 -13.416 1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.908 -13.983 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.955 -12.269 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.251 -12.729 -1.302 1.00 0.00 H new ATOM 281 N ARG A 18 16.171 -13.805 -1.893 1.00 0.00 N ATOM 282 CA ARG A 18 16.808 -14.736 -2.811 1.00 0.00 C ATOM 283 C ARG A 18 17.524 -15.838 -2.042 1.00 0.00 C ATOM 284 O ARG A 18 17.651 -16.966 -2.520 1.00 0.00 O ATOM 285 CB ARG A 18 17.798 -13.986 -3.695 1.00 0.00 C ATOM 286 CG ARG A 18 18.474 -14.852 -4.737 1.00 0.00 C ATOM 287 CD ARG A 18 19.372 -14.013 -5.624 1.00 0.00 C ATOM 288 NE ARG A 18 20.046 -14.812 -6.644 1.00 0.00 N ATOM 289 CZ ARG A 18 19.409 -15.480 -7.604 1.00 0.00 C ATOM 290 NH1 ARG A 18 18.086 -15.434 -7.686 1.00 0.00 N ATOM 291 NH2 ARG A 18 20.098 -16.193 -8.484 1.00 0.00 N ATOM 0 H ARG A 18 16.297 -12.822 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 18 16.042 -15.195 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.276 -13.172 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.562 -13.533 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.061 -15.629 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.721 -15.355 -5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.779 -13.236 -6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.118 -13.509 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 18 21.065 -14.861 -6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.552 -14.885 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.603 -15.947 -8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.116 -16.230 -8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.610 -16.705 -9.219 1.00 0.00 H new ATOM 305 N GLU A 19 17.988 -15.501 -0.844 1.00 0.00 N ATOM 306 CA GLU A 19 18.691 -16.461 -0.001 1.00 0.00 C ATOM 307 C GLU A 19 17.809 -16.947 1.150 1.00 0.00 C ATOM 308 O GLU A 19 18.286 -17.118 2.273 1.00 0.00 O ATOM 309 CB GLU A 19 19.978 -15.841 0.549 1.00 0.00 C ATOM 310 CG GLU A 19 19.748 -14.576 1.361 1.00 0.00 C ATOM 311 CD GLU A 19 21.038 -13.985 1.896 1.00 0.00 C ATOM 312 OE1 GLU A 19 21.736 -14.683 2.661 1.00 0.00 O ATOM 313 OE2 GLU A 19 21.349 -12.827 1.551 1.00 0.00 O ATOM 0 H GLU A 19 17.890 -14.572 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 19 18.943 -17.323 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.487 -16.575 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.645 -15.612 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.244 -13.836 0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.082 -14.799 2.194 1.00 0.00 H new ATOM 320 N SER A 20 16.525 -17.172 0.868 1.00 0.00 N ATOM 321 CA SER A 20 15.592 -17.641 1.890 1.00 0.00 C ATOM 322 C SER A 20 14.315 -18.206 1.265 1.00 0.00 C ATOM 323 O SER A 20 14.256 -18.456 0.060 1.00 0.00 O ATOM 324 CB SER A 20 15.232 -16.501 2.847 1.00 0.00 C ATOM 325 OG SER A 20 16.376 -16.022 3.532 1.00 0.00 O ATOM 0 H SER A 20 16.110 -17.038 -0.054 1.00 0.00 H new ATOM 0 HA SER A 20 16.086 -18.439 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.773 -15.686 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.493 -16.849 3.569 1.00 0.00 H new ATOM 0 HG SER A 20 17.120 -16.646 3.401 1.00 0.00 H new ATOM 331 N THR A 21 13.297 -18.401 2.101 1.00 0.00 N ATOM 332 CA THR A 21 12.013 -18.933 1.656 1.00 0.00 C ATOM 333 C THR A 21 11.019 -17.801 1.401 1.00 0.00 C ATOM 334 O THR A 21 11.216 -16.680 1.871 1.00 0.00 O ATOM 335 CB THR A 21 11.424 -19.906 2.699 1.00 0.00 C ATOM 336 OG1 THR A 21 12.380 -20.928 3.006 1.00 0.00 O ATOM 337 CG2 THR A 21 10.144 -20.551 2.190 1.00 0.00 C ATOM 0 H THR A 21 13.339 -18.196 3.099 1.00 0.00 H new ATOM 0 HA THR A 21 12.187 -19.475 0.727 1.00 0.00 H new ATOM 0 HB THR A 21 11.190 -19.334 3.597 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.001 -21.542 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.753 -21.231 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.405 -19.778 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.355 -21.107 1.277 1.00 0.00 H new ATOM 345 N LEU A 22 9.951 -18.092 0.657 1.00 0.00 N ATOM 346 CA LEU A 22 8.943 -17.091 0.355 1.00 0.00 C ATOM 347 C LEU A 22 8.345 -16.531 1.636 1.00 0.00 C ATOM 348 O LEU A 22 7.688 -15.508 1.615 1.00 0.00 O ATOM 349 CB LEU A 22 7.839 -17.663 -0.541 1.00 0.00 C ATOM 350 CG LEU A 22 6.504 -17.940 0.157 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.390 -18.068 -0.869 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.582 -19.185 1.023 1.00 0.00 C ATOM 0 H LEU A 22 9.767 -19.012 0.256 1.00 0.00 H new ATOM 0 HA LEU A 22 9.432 -16.282 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.663 -16.967 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.198 -18.592 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 22 6.282 -17.096 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.447 -18.265 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.309 -17.141 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.614 -18.891 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.619 -19.354 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.833 -20.045 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.350 -19.051 1.785 1.00 0.00 H new ATOM 364 N GLU A 23 8.564 -17.212 2.754 1.00 0.00 N ATOM 365 CA GLU A 23 8.027 -16.763 4.036 1.00 0.00 C ATOM 366 C GLU A 23 8.147 -15.247 4.166 1.00 0.00 C ATOM 367 O GLU A 23 7.346 -14.609 4.854 1.00 0.00 O ATOM 368 CB GLU A 23 8.758 -17.447 5.192 1.00 0.00 C ATOM 369 CG GLU A 23 10.241 -17.118 5.256 1.00 0.00 C ATOM 370 CD GLU A 23 10.942 -17.797 6.416 1.00 0.00 C ATOM 371 OE1 GLU A 23 10.268 -18.527 7.174 1.00 0.00 O ATOM 372 OE2 GLU A 23 12.165 -17.599 6.569 1.00 0.00 O ATOM 0 H GLU A 23 9.107 -18.074 2.801 1.00 0.00 H new ATOM 0 HA GLU A 23 6.972 -17.035 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.289 -17.154 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.638 -18.526 5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.716 -17.420 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.366 -16.039 5.343 1.00 0.00 H new ATOM 379 N THR A 24 9.131 -14.674 3.474 1.00 0.00 N ATOM 380 CA THR A 24 9.329 -13.230 3.482 1.00 0.00 C ATOM 381 C THR A 24 8.025 -12.526 3.128 1.00 0.00 C ATOM 382 O THR A 24 7.644 -11.546 3.769 1.00 0.00 O ATOM 383 CB THR A 24 10.435 -12.800 2.499 1.00 0.00 C ATOM 384 OG1 THR A 24 10.539 -11.372 2.474 1.00 0.00 O ATOM 385 CG2 THR A 24 10.151 -13.319 1.098 1.00 0.00 C ATOM 0 H THR A 24 9.801 -15.189 2.903 1.00 0.00 H new ATOM 0 HA THR A 24 9.643 -12.944 4.486 1.00 0.00 H new ATOM 0 HB THR A 24 11.378 -13.227 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.483 -11.113 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.947 -13.001 0.424 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.104 -14.408 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.199 -12.920 0.748 1.00 0.00 H new ATOM 393 N LEU A 25 7.322 -13.048 2.123 1.00 0.00 N ATOM 394 CA LEU A 25 6.045 -12.481 1.728 1.00 0.00 C ATOM 395 C LEU A 25 5.022 -12.719 2.826 1.00 0.00 C ATOM 396 O LEU A 25 4.269 -11.828 3.188 1.00 0.00 O ATOM 397 CB LEU A 25 5.548 -13.037 0.384 1.00 0.00 C ATOM 398 CG LEU A 25 5.695 -14.546 0.147 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.805 -15.352 1.077 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.371 -14.880 -1.296 1.00 0.00 C ATOM 0 H LEU A 25 7.617 -13.856 1.575 1.00 0.00 H new ATOM 0 HA LEU A 25 6.183 -11.409 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.493 -12.781 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.080 -12.517 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 25 6.730 -14.814 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.938 -16.415 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.074 -15.141 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.763 -15.080 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.478 -15.953 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.346 -14.581 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.055 -14.346 -1.955 1.00 0.00 H new ATOM 412 N GLU A 26 5.012 -13.913 3.392 1.00 0.00 N ATOM 413 CA GLU A 26 4.085 -14.196 4.465 1.00 0.00 C ATOM 414 C GLU A 26 4.267 -13.139 5.544 1.00 0.00 C ATOM 415 O GLU A 26 3.337 -12.807 6.276 1.00 0.00 O ATOM 416 CB GLU A 26 4.293 -15.618 5.002 1.00 0.00 C ATOM 417 CG GLU A 26 3.494 -15.945 6.259 1.00 0.00 C ATOM 418 CD GLU A 26 4.062 -15.301 7.509 1.00 0.00 C ATOM 419 OE1 GLU A 26 5.245 -15.553 7.821 1.00 0.00 O ATOM 420 OE2 GLU A 26 3.322 -14.553 8.181 1.00 0.00 O ATOM 0 H GLU A 26 5.624 -14.686 3.131 1.00 0.00 H new ATOM 0 HA GLU A 26 3.058 -14.154 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.025 -16.330 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.353 -15.761 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.464 -15.615 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.467 -17.026 6.394 1.00 0.00 H new ATOM 427 N GLU A 27 5.474 -12.583 5.600 1.00 0.00 N ATOM 428 CA GLU A 27 5.789 -11.530 6.554 1.00 0.00 C ATOM 429 C GLU A 27 5.342 -10.166 6.026 1.00 0.00 C ATOM 430 O GLU A 27 4.697 -9.401 6.736 1.00 0.00 O ATOM 431 CB GLU A 27 7.292 -11.502 6.846 1.00 0.00 C ATOM 432 CG GLU A 27 7.820 -12.793 7.449 1.00 0.00 C ATOM 433 CD GLU A 27 9.309 -12.735 7.733 1.00 0.00 C ATOM 434 OE1 GLU A 27 9.729 -11.864 8.524 1.00 0.00 O ATOM 435 OE2 GLU A 27 10.053 -13.561 7.165 1.00 0.00 O ATOM 0 H GLU A 27 6.250 -12.847 4.993 1.00 0.00 H new ATOM 0 HA GLU A 27 5.250 -11.743 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.829 -11.297 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.506 -10.679 7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.285 -13.003 8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.615 -13.619 6.768 1.00 0.00 H new ATOM 442 N MET A 28 5.704 -9.865 4.779 1.00 0.00 N ATOM 443 CA MET A 28 5.354 -8.588 4.155 1.00 0.00 C ATOM 444 C MET A 28 4.005 -8.652 3.440 1.00 0.00 C ATOM 445 O MET A 28 3.151 -7.794 3.629 1.00 0.00 O ATOM 446 CB MET A 28 6.434 -8.179 3.155 1.00 0.00 C ATOM 447 CG MET A 28 7.838 -8.213 3.731 1.00 0.00 C ATOM 448 SD MET A 28 8.021 -7.159 5.179 1.00 0.00 S ATOM 449 CE MET A 28 9.729 -7.481 5.596 1.00 0.00 C ATOM 0 H MET A 28 6.242 -10.490 4.179 1.00 0.00 H new ATOM 0 HA MET A 28 5.282 -7.848 4.952 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.388 -8.843 2.291 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.222 -7.172 2.795 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.092 -9.239 3.999 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.548 -7.899 2.966 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.004 -6.901 6.477 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.858 -8.543 5.805 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.368 -7.195 4.760 1.00 0.00 H new ATOM 459 N LEU A 29 3.843 -9.673 2.611 1.00 0.00 N ATOM 460 CA LEU A 29 2.618 -9.887 1.831 1.00 0.00 C ATOM 461 C LEU A 29 1.385 -9.956 2.735 1.00 0.00 C ATOM 462 O LEU A 29 0.314 -9.472 2.374 1.00 0.00 O ATOM 463 CB LEU A 29 2.779 -11.178 1.012 1.00 0.00 C ATOM 464 CG LEU A 29 1.617 -11.580 0.105 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.357 -10.535 -0.963 1.00 0.00 C ATOM 466 CD2 LEU A 29 1.920 -12.917 -0.544 1.00 0.00 C ATOM 0 H LEU A 29 4.558 -10.384 2.455 1.00 0.00 H new ATOM 0 HA LEU A 29 2.465 -9.043 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.671 -11.076 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.964 -11.997 1.706 1.00 0.00 H new ATOM 0 HG LEU A 29 0.719 -11.660 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.524 -10.854 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.111 -9.584 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.248 -10.414 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.091 -13.204 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.831 -12.836 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.056 -13.674 0.228 1.00 0.00 H new ATOM 478 N GLU A 30 1.538 -10.549 3.913 1.00 0.00 N ATOM 479 CA GLU A 30 0.426 -10.666 4.858 1.00 0.00 C ATOM 480 C GLU A 30 0.040 -9.307 5.441 1.00 0.00 C ATOM 481 O GLU A 30 -1.128 -9.057 5.741 1.00 0.00 O ATOM 482 CB GLU A 30 0.784 -11.626 5.993 1.00 0.00 C ATOM 483 CG GLU A 30 -0.294 -11.740 7.060 1.00 0.00 C ATOM 484 CD GLU A 30 0.085 -12.696 8.173 1.00 0.00 C ATOM 485 OE1 GLU A 30 1.116 -12.457 8.835 1.00 0.00 O ATOM 486 OE2 GLU A 30 -0.651 -13.684 8.384 1.00 0.00 O ATOM 0 H GLU A 30 2.415 -10.955 4.239 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.428 -11.059 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.975 -12.614 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.711 -11.293 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.487 -10.754 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.223 -12.076 6.598 1.00 0.00 H new ATOM 493 N LYS A 31 1.025 -8.436 5.614 1.00 0.00 N ATOM 494 CA LYS A 31 0.783 -7.110 6.170 1.00 0.00 C ATOM 495 C LYS A 31 0.415 -6.140 5.068 1.00 0.00 C ATOM 496 O LYS A 31 -0.365 -5.209 5.260 1.00 0.00 O ATOM 497 CB LYS A 31 2.016 -6.627 6.922 1.00 0.00 C ATOM 498 CG LYS A 31 2.668 -7.731 7.731 1.00 0.00 C ATOM 499 CD LYS A 31 1.706 -8.342 8.737 1.00 0.00 C ATOM 500 CE LYS A 31 2.317 -9.556 9.420 1.00 0.00 C ATOM 501 NZ LYS A 31 1.409 -10.126 10.453 1.00 0.00 N ATOM 0 H LYS A 31 1.999 -8.623 5.378 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.050 -7.165 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.738 -6.226 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.736 -5.810 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.031 -8.508 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.536 -7.332 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.439 -7.597 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.784 -8.632 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.542 -10.318 8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.263 -9.275 9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.919 -10.209 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.587 -9.501 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.086 -11.067 10.150 1.00 0.00 H new ATOM 515 N LEU A 32 0.988 -6.385 3.903 1.00 0.00 N ATOM 516 CA LEU A 32 0.737 -5.571 2.736 1.00 0.00 C ATOM 517 C LEU A 32 -0.705 -5.753 2.282 1.00 0.00 C ATOM 518 O LEU A 32 -1.280 -4.884 1.626 1.00 0.00 O ATOM 519 CB LEU A 32 1.707 -5.940 1.625 1.00 0.00 C ATOM 520 CG LEU A 32 1.543 -5.120 0.347 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.517 -3.634 0.665 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.652 -5.437 -0.634 1.00 0.00 C ATOM 0 H LEU A 32 1.639 -7.154 3.744 1.00 0.00 H new ATOM 0 HA LEU A 32 0.890 -4.521 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.726 -5.817 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.580 -6.995 1.384 1.00 0.00 H new ATOM 0 HG LEU A 32 0.592 -5.388 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.400 -3.066 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.682 -3.419 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.451 -3.349 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.518 -4.843 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.616 -5.200 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.621 -6.497 -0.888 1.00 0.00 H new ATOM 534 N GLU A 33 -1.295 -6.888 2.651 1.00 0.00 N ATOM 535 CA GLU A 33 -2.682 -7.157 2.297 1.00 0.00 C ATOM 536 C GLU A 33 -3.612 -6.535 3.325 1.00 0.00 C ATOM 537 O GLU A 33 -4.644 -5.969 2.973 1.00 0.00 O ATOM 538 CB GLU A 33 -2.962 -8.657 2.175 1.00 0.00 C ATOM 539 CG GLU A 33 -2.794 -9.429 3.474 1.00 0.00 C ATOM 540 CD GLU A 33 -3.826 -10.531 3.641 1.00 0.00 C ATOM 541 OE1 GLU A 33 -3.899 -11.417 2.767 1.00 0.00 O ATOM 542 OE2 GLU A 33 -4.559 -10.505 4.651 1.00 0.00 O ATOM 0 H GLU A 33 -0.839 -7.626 3.188 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.865 -6.708 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.980 -8.797 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.294 -9.080 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.795 -9.865 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.867 -8.738 4.314 1.00 0.00 H new ATOM 549 N VAL A 34 -3.237 -6.639 4.601 1.00 0.00 N ATOM 550 CA VAL A 34 -4.043 -6.072 5.674 1.00 0.00 C ATOM 551 C VAL A 34 -4.012 -4.552 5.609 1.00 0.00 C ATOM 552 O VAL A 34 -5.022 -3.889 5.856 1.00 0.00 O ATOM 553 CB VAL A 34 -3.584 -6.542 7.070 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.635 -8.059 7.166 1.00 0.00 C ATOM 555 CG2 VAL A 34 -2.192 -6.024 7.391 1.00 0.00 C ATOM 0 H VAL A 34 -2.386 -7.108 4.911 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.062 -6.429 5.527 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.270 -6.129 7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.308 -8.372 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.656 -8.400 6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.978 -8.494 6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.894 -6.370 8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.485 -6.395 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.197 -4.934 7.374 1.00 0.00 H new ATOM 565 N VAL A 35 -2.849 -4.002 5.250 1.00 0.00 N ATOM 566 CA VAL A 35 -2.710 -2.558 5.130 1.00 0.00 C ATOM 567 C VAL A 35 -3.751 -2.036 4.159 1.00 0.00 C ATOM 568 O VAL A 35 -4.467 -1.078 4.449 1.00 0.00 O ATOM 569 CB VAL A 35 -1.300 -2.134 4.654 1.00 0.00 C ATOM 570 CG1 VAL A 35 -0.934 -2.811 3.348 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.222 -0.629 4.494 1.00 0.00 C ATOM 0 H VAL A 35 -2.003 -4.531 5.041 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.858 -2.130 6.121 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.586 -2.449 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.062 -2.493 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.944 -3.892 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.657 -2.535 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.223 -0.350 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.956 -0.303 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.431 -0.150 5.451 1.00 0.00 H new ATOM 581 N VAL A 36 -3.854 -2.698 3.012 1.00 0.00 N ATOM 582 CA VAL A 36 -4.836 -2.313 2.022 1.00 0.00 C ATOM 583 C VAL A 36 -6.180 -2.934 2.355 1.00 0.00 C ATOM 584 O VAL A 36 -7.202 -2.464 1.908 1.00 0.00 O ATOM 585 CB VAL A 36 -4.434 -2.689 0.586 1.00 0.00 C ATOM 586 CG1 VAL A 36 -4.452 -4.197 0.379 1.00 0.00 C ATOM 587 CG2 VAL A 36 -5.342 -1.971 -0.403 1.00 0.00 C ATOM 0 H VAL A 36 -3.273 -3.495 2.752 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.901 -1.225 2.057 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.408 -2.365 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.163 -4.427 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.750 -4.667 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.456 -4.578 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.056 -2.239 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.377 -2.266 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.245 -0.894 -0.270 1.00 0.00 H new ATOM 597 N ASN A 37 -6.175 -3.989 3.157 1.00 0.00 N ATOM 598 CA ASN A 37 -7.423 -4.633 3.548 1.00 0.00 C ATOM 599 C ASN A 37 -8.331 -3.606 4.201 1.00 0.00 C ATOM 600 O ASN A 37 -9.543 -3.589 3.980 1.00 0.00 O ATOM 601 CB ASN A 37 -7.155 -5.791 4.509 1.00 0.00 C ATOM 602 CG ASN A 37 -8.426 -6.402 5.061 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.292 -6.850 4.311 1.00 0.00 O ATOM 604 ND2 ASN A 37 -8.537 -6.428 6.385 1.00 0.00 N ATOM 0 H ASN A 37 -5.333 -4.414 3.546 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.910 -5.038 2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.582 -6.561 3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.539 -5.436 5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.367 -6.832 6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.792 -6.044 6.967 1.00 0.00 H new ATOM 611 N GLU A 38 -7.716 -2.731 4.990 1.00 0.00 N ATOM 612 CA GLU A 38 -8.441 -1.670 5.670 1.00 0.00 C ATOM 613 C GLU A 38 -8.901 -0.626 4.665 1.00 0.00 C ATOM 614 O GLU A 38 -10.028 -0.135 4.737 1.00 0.00 O ATOM 615 CB GLU A 38 -7.559 -1.019 6.735 1.00 0.00 C ATOM 616 CG GLU A 38 -7.092 -1.981 7.818 1.00 0.00 C ATOM 617 CD GLU A 38 -8.236 -2.550 8.636 1.00 0.00 C ATOM 618 OE1 GLU A 38 -9.099 -3.242 8.053 1.00 0.00 O ATOM 619 OE2 GLU A 38 -8.270 -2.306 9.860 1.00 0.00 O ATOM 0 H GLU A 38 -6.713 -2.738 5.173 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.314 -2.102 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.686 -0.579 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.111 -0.202 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.540 -2.800 7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.399 -1.464 8.482 1.00 0.00 H new ATOM 626 N ARG A 39 -8.023 -0.292 3.721 1.00 0.00 N ATOM 627 CA ARG A 39 -8.356 0.694 2.696 1.00 0.00 C ATOM 628 C ARG A 39 -9.324 0.101 1.678 1.00 0.00 C ATOM 629 O ARG A 39 -10.354 0.685 1.360 1.00 0.00 O ATOM 630 CB ARG A 39 -7.101 1.202 1.970 1.00 0.00 C ATOM 631 CG ARG A 39 -6.194 2.103 2.803 1.00 0.00 C ATOM 632 CD ARG A 39 -5.769 1.449 4.101 1.00 0.00 C ATOM 633 NE ARG A 39 -5.001 2.361 4.948 1.00 0.00 N ATOM 634 CZ ARG A 39 -5.444 3.553 5.346 1.00 0.00 C ATOM 635 NH1 ARG A 39 -6.635 3.989 4.957 1.00 0.00 N ATOM 636 NH2 ARG A 39 -4.690 4.314 6.127 1.00 0.00 N ATOM 0 H ARG A 39 -7.085 -0.685 3.645 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.828 1.537 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.522 0.342 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.411 1.748 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.309 2.361 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.714 3.036 3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.652 1.109 4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.169 0.565 3.882 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.072 2.068 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.217 3.411 4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.969 4.902 5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.770 3.987 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.029 5.226 6.431 1.00 0.00 H new ATOM 650 N ARG A 40 -8.971 -1.068 1.183 1.00 0.00 N ATOM 651 CA ARG A 40 -9.774 -1.784 0.199 1.00 0.00 C ATOM 652 C ARG A 40 -11.246 -1.821 0.603 1.00 0.00 C ATOM 653 O ARG A 40 -12.131 -1.718 -0.242 1.00 0.00 O ATOM 654 CB ARG A 40 -9.239 -3.218 0.025 1.00 0.00 C ATOM 655 CG ARG A 40 -8.404 -3.434 -1.230 1.00 0.00 C ATOM 656 CD ARG A 40 -9.174 -3.021 -2.475 1.00 0.00 C ATOM 657 NE ARG A 40 -8.390 -3.171 -3.698 1.00 0.00 N ATOM 658 CZ ARG A 40 -7.321 -2.436 -3.985 1.00 0.00 C ATOM 659 NH1 ARG A 40 -6.895 -1.513 -3.133 1.00 0.00 N ATOM 660 NH2 ARG A 40 -6.675 -2.624 -5.128 1.00 0.00 N ATOM 0 H ARG A 40 -8.115 -1.555 1.450 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.698 -1.252 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.636 -3.475 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.083 -3.907 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.481 -2.858 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.119 -4.483 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.080 -3.622 -2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.488 -1.982 -2.375 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.680 -3.881 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.389 -1.365 -2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.074 -0.951 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.999 -3.333 -5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.854 -2.060 -5.349 1.00 0.00 H new ATOM 674 N GLU A 41 -11.502 -1.997 1.896 1.00 0.00 N ATOM 675 CA GLU A 41 -12.874 -2.076 2.394 1.00 0.00 C ATOM 676 C GLU A 41 -13.489 -0.708 2.726 1.00 0.00 C ATOM 677 O GLU A 41 -14.577 -0.381 2.250 1.00 0.00 O ATOM 678 CB GLU A 41 -12.925 -2.970 3.634 1.00 0.00 C ATOM 679 CG GLU A 41 -12.483 -4.401 3.370 1.00 0.00 C ATOM 680 CD GLU A 41 -12.544 -5.268 4.611 1.00 0.00 C ATOM 681 OE1 GLU A 41 -11.855 -4.939 5.600 1.00 0.00 O ATOM 682 OE2 GLU A 41 -13.284 -6.275 4.596 1.00 0.00 O ATOM 0 H GLU A 41 -10.784 -2.087 2.615 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.469 -2.500 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.291 -2.539 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.943 -2.979 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.116 -4.836 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.464 -4.397 2.984 1.00 0.00 H new ATOM 689 N GLU A 42 -12.817 0.066 3.575 1.00 0.00 N ATOM 690 CA GLU A 42 -13.337 1.367 4.003 1.00 0.00 C ATOM 691 C GLU A 42 -12.927 2.507 3.081 1.00 0.00 C ATOM 692 O GLU A 42 -13.709 3.426 2.825 1.00 0.00 O ATOM 693 CB GLU A 42 -12.870 1.672 5.426 1.00 0.00 C ATOM 694 CG GLU A 42 -13.334 0.654 6.453 1.00 0.00 C ATOM 695 CD GLU A 42 -12.858 0.980 7.854 1.00 0.00 C ATOM 696 OE1 GLU A 42 -11.629 1.045 8.064 1.00 0.00 O ATOM 697 OE2 GLU A 42 -13.715 1.169 8.743 1.00 0.00 O ATOM 0 H GLU A 42 -11.914 -0.182 3.980 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.424 1.297 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.781 1.718 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.234 2.658 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.423 0.606 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.970 -0.334 6.170 1.00 0.00 H new ATOM 704 N GLU A 43 -11.695 2.465 2.612 1.00 0.00 N ATOM 705 CA GLU A 43 -11.179 3.516 1.751 1.00 0.00 C ATOM 706 C GLU A 43 -11.778 3.450 0.356 1.00 0.00 C ATOM 707 O GLU A 43 -12.162 4.478 -0.206 1.00 0.00 O ATOM 708 CB GLU A 43 -9.670 3.442 1.708 1.00 0.00 C ATOM 709 CG GLU A 43 -9.020 3.852 3.016 1.00 0.00 C ATOM 710 CD GLU A 43 -9.460 5.225 3.490 1.00 0.00 C ATOM 711 OE1 GLU A 43 -9.237 6.207 2.753 1.00 0.00 O ATOM 712 OE2 GLU A 43 -10.031 5.316 4.596 1.00 0.00 O ATOM 0 H GLU A 43 -11.032 1.716 2.811 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.473 4.479 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.368 2.424 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.303 4.085 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.260 3.115 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.937 3.845 2.895 1.00 0.00 H new ATOM 719 N SER A 44 -11.889 2.242 -0.194 1.00 0.00 N ATOM 720 CA SER A 44 -12.489 2.080 -1.509 1.00 0.00 C ATOM 721 C SER A 44 -13.865 2.713 -1.468 1.00 0.00 C ATOM 722 O SER A 44 -14.333 3.309 -2.440 1.00 0.00 O ATOM 723 CB SER A 44 -12.593 0.602 -1.890 1.00 0.00 C ATOM 724 OG SER A 44 -13.177 0.445 -3.171 1.00 0.00 O ATOM 0 H SER A 44 -11.576 1.376 0.245 1.00 0.00 H new ATOM 0 HA SER A 44 -11.866 2.563 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.601 0.150 -1.881 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.190 0.073 -1.147 1.00 0.00 H new ATOM 0 HG SER A 44 -13.231 -0.508 -3.391 1.00 0.00 H new ATOM 730 N ALA A 45 -14.482 2.607 -0.293 1.00 0.00 N ATOM 731 CA ALA A 45 -15.784 3.192 -0.047 1.00 0.00 C ATOM 732 C ALA A 45 -15.690 4.703 -0.195 1.00 0.00 C ATOM 733 O ALA A 45 -16.538 5.336 -0.827 1.00 0.00 O ATOM 734 CB ALA A 45 -16.257 2.817 1.350 1.00 0.00 C ATOM 0 H ALA A 45 -14.089 2.113 0.508 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.506 2.811 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.237 3.258 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.326 1.732 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.547 3.192 2.087 1.00 0.00 H new ATOM 740 N ALA A 46 -14.626 5.270 0.376 1.00 0.00 N ATOM 741 CA ALA A 46 -14.385 6.704 0.291 1.00 0.00 C ATOM 742 C ALA A 46 -14.223 7.115 -1.166 1.00 0.00 C ATOM 743 O ALA A 46 -14.698 8.170 -1.586 1.00 0.00 O ATOM 744 CB ALA A 46 -13.142 7.084 1.089 1.00 0.00 C ATOM 0 H ALA A 46 -13.920 4.755 0.901 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.240 7.230 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.976 8.159 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.283 6.810 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.277 6.555 0.689 1.00 0.00 H new ATOM 947 N GLU B 2 -10.522 -7.944 -1.934 1.00 0.00 N ATOM 948 CA GLU B 2 -9.526 -7.785 -2.986 1.00 0.00 C ATOM 949 C GLU B 2 -8.109 -7.876 -2.427 1.00 0.00 C ATOM 950 O GLU B 2 -7.180 -8.235 -3.142 1.00 0.00 O ATOM 951 CB GLU B 2 -9.720 -6.446 -3.701 1.00 0.00 C ATOM 952 CG GLU B 2 -8.755 -6.224 -4.857 1.00 0.00 C ATOM 953 CD GLU B 2 -8.952 -7.211 -5.991 1.00 0.00 C ATOM 954 OE1 GLU B 2 -9.874 -8.051 -5.900 1.00 0.00 O ATOM 955 OE2 GLU B 2 -8.186 -7.143 -6.975 1.00 0.00 O ATOM 0 HA GLU B 2 -9.662 -8.597 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -10.742 -6.389 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -9.600 -5.638 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.881 -5.211 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -7.732 -6.301 -4.489 1.00 0.00 H new ATOM 962 N ALA B 3 -7.952 -7.540 -1.150 1.00 0.00 N ATOM 963 CA ALA B 3 -6.646 -7.579 -0.494 1.00 0.00 C ATOM 964 C ALA B 3 -6.353 -8.965 0.047 1.00 0.00 C ATOM 965 O ALA B 3 -5.201 -9.350 0.250 1.00 0.00 O ATOM 966 CB ALA B 3 -6.598 -6.559 0.631 1.00 0.00 C ATOM 0 H ALA B 3 -8.715 -7.236 -0.546 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.884 -7.333 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.621 -6.595 1.114 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.765 -5.561 0.225 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -7.373 -6.787 1.363 1.00 0.00 H new ATOM 972 N LEU B 4 -7.413 -9.691 0.297 1.00 0.00 N ATOM 973 CA LEU B 4 -7.334 -11.032 0.829 1.00 0.00 C ATOM 974 C LEU B 4 -7.167 -12.051 -0.289 1.00 0.00 C ATOM 975 O LEU B 4 -6.390 -12.998 -0.180 1.00 0.00 O ATOM 976 CB LEU B 4 -8.602 -11.305 1.634 1.00 0.00 C ATOM 977 CG LEU B 4 -8.901 -10.264 2.720 1.00 0.00 C ATOM 978 CD1 LEU B 4 -7.639 -9.943 3.500 1.00 0.00 C ATOM 979 CD2 LEU B 4 -9.488 -8.994 2.113 1.00 0.00 C ATOM 0 H LEU B 4 -8.366 -9.366 0.136 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.462 -11.122 1.476 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.449 -11.351 0.950 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.516 -12.286 2.102 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.640 -10.685 3.402 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -7.864 -9.203 4.268 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.261 -10.851 3.971 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.884 -9.544 2.822 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.691 -8.273 2.904 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.777 -8.567 1.406 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.416 -9.234 1.594 1.00 0.00 H new ATOM 991 N LYS B 5 -7.919 -11.839 -1.359 1.00 0.00 N ATOM 992 CA LYS B 5 -7.898 -12.716 -2.519 1.00 0.00 C ATOM 993 C LYS B 5 -6.750 -12.376 -3.464 1.00 0.00 C ATOM 994 O LYS B 5 -6.303 -13.224 -4.236 1.00 0.00 O ATOM 995 CB LYS B 5 -9.231 -12.642 -3.267 1.00 0.00 C ATOM 996 CG LYS B 5 -9.285 -13.539 -4.490 1.00 0.00 C ATOM 997 CD LYS B 5 -8.847 -14.952 -4.147 1.00 0.00 C ATOM 998 CE LYS B 5 -8.879 -15.860 -5.365 1.00 0.00 C ATOM 999 NZ LYS B 5 -8.452 -17.249 -5.035 1.00 0.00 N ATOM 0 H LYS B 5 -8.562 -11.052 -1.447 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.743 -13.733 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -10.037 -12.918 -2.587 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.411 -11.611 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -10.299 -13.555 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -8.642 -13.134 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -7.838 -14.931 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -9.499 -15.358 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -9.888 -15.879 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -8.226 -15.454 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -8.488 -17.836 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -7.480 -17.235 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -9.090 -17.647 -4.316 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.272 -11.136 -3.400 1.00 0.00 N ATOM 1014 CA ILE B 6 -5.178 -10.705 -4.246 1.00 0.00 C ATOM 1015 C ILE B 6 -4.009 -11.648 -4.084 1.00 0.00 C ATOM 1016 O ILE B 6 -3.449 -12.160 -5.052 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.707 -9.293 -3.863 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.443 -8.942 -4.626 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -4.455 -9.202 -2.370 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.934 -7.551 -4.338 1.00 0.00 C ATOM 0 H ILE B 6 -6.629 -10.418 -2.770 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.534 -10.702 -5.276 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.491 -8.583 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.665 -9.664 -4.377 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.635 -9.036 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -4.122 -8.195 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.376 -9.425 -1.831 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.685 -9.920 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.029 -7.368 -4.917 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -3.695 -6.821 -4.613 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.710 -7.458 -3.275 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.665 -11.861 -2.836 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.579 -12.730 -2.469 1.00 0.00 C ATOM 1034 C LEU B 7 -3.144 -14.063 -1.999 1.00 0.00 C ATOM 1035 O LEU B 7 -2.405 -15.002 -1.709 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.736 -12.045 -1.384 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.911 -12.560 0.049 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.995 -13.739 0.317 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.638 -11.444 1.038 1.00 0.00 C ATOM 0 H LEU B 7 -4.138 -11.430 -2.041 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.931 -12.926 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.685 -12.145 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.968 -10.980 -1.394 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.940 -12.898 0.170 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.138 -14.086 1.340 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.230 -14.547 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.042 -13.433 0.180 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.765 -11.819 2.054 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.617 -11.085 0.908 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.336 -10.625 0.864 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.476 -14.119 -1.930 1.00 0.00 N ATOM 1052 CA ASN B 8 -5.193 -15.321 -1.497 1.00 0.00 C ATOM 1053 C ASN B 8 -4.643 -15.847 -0.171 1.00 0.00 C ATOM 1054 O ASN B 8 -4.576 -17.055 0.054 1.00 0.00 O ATOM 1055 CB ASN B 8 -5.153 -16.416 -2.575 1.00 0.00 C ATOM 1056 CG ASN B 8 -3.756 -16.930 -2.867 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -3.301 -16.736 -4.099 1.00 0.00 O flip ATOM 1058 ND2 ASN B 8 -3.092 -17.496 -1.998 1.00 0.00 N flip ATOM 0 H ASN B 8 -5.085 -13.337 -2.171 1.00 0.00 H new ATOM 0 HA ASN B 8 -6.235 -15.040 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -5.779 -17.250 -2.257 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -5.587 -16.024 -3.495 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -3.479 -17.625 -1.063 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -2.155 -17.836 -2.213 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.276 -14.917 0.711 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.754 -15.248 2.035 1.00 0.00 C ATOM 1067 C ASN B 9 -2.440 -16.029 1.958 1.00 0.00 C ATOM 1068 O ASN B 9 -2.328 -17.024 1.243 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.796 -16.039 2.828 1.00 0.00 C ATOM 1070 CG ASN B 9 -6.100 -15.277 3.007 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -6.159 -14.052 2.488 1.00 0.00 O flip ATOM 1072 ND2 ASN B 9 -7.047 -15.784 3.608 1.00 0.00 N flip ATOM 0 H ASN B 9 -4.332 -13.915 0.527 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.543 -14.310 2.548 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -4.997 -16.981 2.317 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.388 -16.289 3.808 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -6.963 -16.725 3.991 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -7.916 -15.263 3.723 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.450 -15.557 2.714 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.131 -16.184 2.763 1.00 0.00 C ATOM 1081 C ILE B 10 -0.225 -17.659 3.140 1.00 0.00 C ATOM 1082 O ILE B 10 0.594 -18.469 2.709 1.00 0.00 O ATOM 1083 CB ILE B 10 0.806 -15.463 3.754 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.223 -15.465 5.176 1.00 0.00 C ATOM 1085 CG2 ILE B 10 1.069 -14.041 3.278 1.00 0.00 C ATOM 1086 CD1 ILE B 10 -0.965 -14.546 5.367 1.00 0.00 C ATOM 0 H ILE B 10 -1.539 -14.732 3.308 1.00 0.00 H new ATOM 0 HA ILE B 10 0.287 -16.101 1.760 1.00 0.00 H new ATOM 0 HB ILE B 10 1.752 -16.004 3.789 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -0.075 -16.482 5.432 1.00 0.00 H new ATOM 0 HG13 ILE B 10 1.006 -15.177 5.877 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.731 -13.538 3.983 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.538 -14.067 2.295 1.00 0.00 H new ATOM 0 HG23 ILE B 10 0.126 -13.498 3.216 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -1.312 -14.610 6.398 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -0.671 -13.520 5.146 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -1.769 -14.846 4.694 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.223 -18.004 3.947 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.416 -19.385 4.377 1.00 0.00 C ATOM 1100 C ARG B 11 -1.530 -20.324 3.176 1.00 0.00 C ATOM 1101 O ARG B 11 -0.839 -21.341 3.097 1.00 0.00 O ATOM 1102 CB ARG B 11 -2.670 -19.486 5.248 1.00 0.00 C ATOM 1103 CG ARG B 11 -3.921 -18.937 4.580 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.140 -19.001 5.491 1.00 0.00 C ATOM 1105 NE ARG B 11 -5.008 -18.146 6.671 1.00 0.00 N ATOM 1106 CZ ARG B 11 -4.356 -18.497 7.780 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -3.832 -19.711 7.895 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -4.244 -17.637 8.783 1.00 0.00 N ATOM 0 H ARG B 11 -1.910 -17.347 4.316 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.547 -19.689 4.960 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -2.837 -20.531 5.510 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.499 -18.947 6.180 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.747 -17.903 4.282 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.121 -19.502 3.669 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.025 -18.703 4.929 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.297 -20.032 5.810 1.00 0.00 H new ATOM 0 HE ARG B 11 -5.442 -17.223 6.644 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -3.927 -20.382 7.132 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -3.334 -19.973 8.746 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -4.657 -16.707 8.706 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -3.745 -17.905 9.631 1.00 0.00 H new ATOM 1122 N THR B 12 -2.401 -19.970 2.238 1.00 0.00 N ATOM 1123 CA THR B 12 -2.605 -20.771 1.039 1.00 0.00 C ATOM 1124 C THR B 12 -1.421 -20.646 0.087 1.00 0.00 C ATOM 1125 O THR B 12 -1.051 -21.604 -0.598 1.00 0.00 O ATOM 1126 CB THR B 12 -3.892 -20.355 0.300 1.00 0.00 C ATOM 1127 OG1 THR B 12 -5.028 -20.537 1.152 1.00 0.00 O ATOM 1128 CG2 THR B 12 -4.075 -21.165 -0.975 1.00 0.00 C ATOM 0 H THR B 12 -2.978 -19.131 2.286 1.00 0.00 H new ATOM 0 HA THR B 12 -2.699 -21.808 1.362 1.00 0.00 H new ATOM 0 HB THR B 12 -3.803 -19.302 0.032 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.841 -20.269 0.675 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.990 -20.852 -1.477 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.224 -21.000 -1.636 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.142 -22.224 -0.727 1.00 0.00 H new ATOM 1136 N LEU B 13 -0.840 -19.452 0.036 1.00 0.00 N ATOM 1137 CA LEU B 13 0.291 -19.191 -0.844 1.00 0.00 C ATOM 1138 C LEU B 13 1.509 -20.039 -0.496 1.00 0.00 C ATOM 1139 O LEU B 13 1.999 -20.792 -1.334 1.00 0.00 O ATOM 1140 CB LEU B 13 0.678 -17.717 -0.811 1.00 0.00 C ATOM 1141 CG LEU B 13 2.079 -17.415 -1.351 1.00 0.00 C ATOM 1142 CD1 LEU B 13 2.320 -18.135 -2.674 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.270 -15.919 -1.512 1.00 0.00 C ATOM 0 H LEU B 13 -1.134 -18.650 0.594 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.034 -19.463 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.051 -17.150 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.614 -17.361 0.217 1.00 0.00 H new ATOM 0 HG LEU B 13 2.810 -17.783 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.322 -17.904 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU B 13 2.227 -19.211 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.584 -17.805 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.270 -15.719 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.529 -15.531 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.149 -15.431 -0.545 1.00 0.00 H new ATOM 1155 N ARG B 14 2.007 -19.896 0.728 1.00 0.00 N ATOM 1156 CA ARG B 14 3.186 -20.636 1.164 1.00 0.00 C ATOM 1157 C ARG B 14 3.112 -22.090 0.723 1.00 0.00 C ATOM 1158 O ARG B 14 4.136 -22.740 0.522 1.00 0.00 O ATOM 1159 CB ARG B 14 3.344 -20.557 2.683 1.00 0.00 C ATOM 1160 CG ARG B 14 3.546 -19.142 3.201 1.00 0.00 C ATOM 1161 CD ARG B 14 3.843 -19.132 4.690 1.00 0.00 C ATOM 1162 NE ARG B 14 5.078 -19.845 5.004 1.00 0.00 N ATOM 1163 CZ ARG B 14 5.573 -19.961 6.233 1.00 0.00 C ATOM 1164 NH1 ARG B 14 4.939 -19.412 7.261 1.00 0.00 N ATOM 1165 NH2 ARG B 14 6.704 -20.623 6.433 1.00 0.00 N ATOM 0 H ARG B 14 1.613 -19.275 1.435 1.00 0.00 H new ATOM 0 HA ARG B 14 4.057 -20.177 0.696 1.00 0.00 H new ATOM 0 HB2 ARG B 14 2.459 -20.985 3.155 1.00 0.00 H new ATOM 0 HB3 ARG B 14 4.194 -21.170 2.984 1.00 0.00 H new ATOM 0 HG2 ARG B 14 4.367 -18.670 2.662 1.00 0.00 H new ATOM 0 HG3 ARG B 14 2.653 -18.550 3.003 1.00 0.00 H new ATOM 0 HD2 ARG B 14 3.920 -18.102 5.038 1.00 0.00 H new ATOM 0 HD3 ARG B 14 3.013 -19.589 5.229 1.00 0.00 H new ATOM 0 HE ARG B 14 5.591 -20.279 4.236 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.070 -18.900 7.110 1.00 0.00 H new ATOM 0 HH12 ARG B 14 5.320 -19.502 8.203 1.00 0.00 H new ATOM 0 HH21 ARG B 14 7.195 -21.044 5.644 1.00 0.00 H new ATOM 0 HH22 ARG B 14 7.083 -20.712 7.376 1.00 0.00 H new ATOM 1179 N ALA B 15 1.892 -22.590 0.571 1.00 0.00 N ATOM 1180 CA ALA B 15 1.673 -23.966 0.149 1.00 0.00 C ATOM 1181 C ALA B 15 1.739 -24.111 -1.365 1.00 0.00 C ATOM 1182 O ALA B 15 2.429 -24.988 -1.885 1.00 0.00 O ATOM 1183 CB ALA B 15 0.335 -24.461 0.650 1.00 0.00 C ATOM 0 H ALA B 15 1.036 -22.060 0.735 1.00 0.00 H new ATOM 0 HA ALA B 15 2.471 -24.570 0.580 1.00 0.00 H new ATOM 0 HB1 ALA B 15 0.184 -25.491 0.327 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.315 -24.415 1.739 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.460 -23.834 0.246 1.00 0.00 H new ATOM 1189 N GLN B 16 1.016 -23.249 -2.075 1.00 0.00 N ATOM 1190 CA GLN B 16 1.003 -23.300 -3.536 1.00 0.00 C ATOM 1191 C GLN B 16 2.374 -22.930 -4.082 1.00 0.00 C ATOM 1192 O GLN B 16 2.758 -23.335 -5.179 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.061 -22.359 -4.107 1.00 0.00 C ATOM 1194 CG GLN B 16 0.224 -20.893 -3.841 1.00 0.00 C ATOM 1195 CD GLN B 16 -0.852 -19.973 -4.388 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -1.477 -19.199 -3.505 1.00 0.00 O flip ATOM 1197 NE2 GLN B 16 -1.119 -19.957 -5.590 1.00 0.00 N flip ATOM 0 H GLN B 16 0.437 -22.514 -1.669 1.00 0.00 H new ATOM 0 HA GLN B 16 0.758 -24.317 -3.841 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.135 -22.517 -5.183 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.030 -22.616 -3.679 1.00 0.00 H new ATOM 0 HG2 GLN B 16 0.318 -20.736 -2.767 1.00 0.00 H new ATOM 0 HG3 GLN B 16 1.183 -20.628 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -0.615 -20.568 -6.233 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -1.845 -19.333 -5.943 1.00 0.00 H new ATOM 1206 N ALA B 17 3.103 -22.159 -3.290 1.00 0.00 N ATOM 1207 CA ALA B 17 4.436 -21.716 -3.648 1.00 0.00 C ATOM 1208 C ALA B 17 5.464 -22.755 -3.259 1.00 0.00 C ATOM 1209 O ALA B 17 6.581 -22.740 -3.761 1.00 0.00 O ATOM 1210 CB ALA B 17 4.762 -20.387 -3.002 1.00 0.00 C ATOM 0 H ALA B 17 2.784 -21.824 -2.381 1.00 0.00 H new ATOM 0 HA ALA B 17 4.464 -21.583 -4.730 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.768 -20.080 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.045 -19.636 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.708 -20.486 -1.918 1.00 0.00 H new ATOM 1216 N ARG B 18 5.079 -23.656 -2.351 1.00 0.00 N ATOM 1217 CA ARG B 18 5.990 -24.716 -1.908 1.00 0.00 C ATOM 1218 C ARG B 18 6.780 -25.244 -3.098 1.00 0.00 C ATOM 1219 O ARG B 18 7.932 -25.656 -2.966 1.00 0.00 O ATOM 1220 CB ARG B 18 5.223 -25.869 -1.252 1.00 0.00 C ATOM 1221 CG ARG B 18 4.664 -25.540 0.121 1.00 0.00 C ATOM 1222 CD ARG B 18 5.772 -25.269 1.129 1.00 0.00 C ATOM 1223 NE ARG B 18 6.637 -26.429 1.316 1.00 0.00 N ATOM 1224 CZ ARG B 18 7.670 -26.451 2.152 1.00 0.00 C ATOM 1225 NH1 ARG B 18 7.968 -25.379 2.873 1.00 0.00 N ATOM 1226 NH2 ARG B 18 8.408 -27.548 2.268 1.00 0.00 N ATOM 0 H ARG B 18 4.158 -23.674 -1.914 1.00 0.00 H new ATOM 0 HA ARG B 18 6.670 -24.292 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.402 -26.163 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG B 18 5.886 -26.730 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG B 18 4.015 -24.667 0.050 1.00 0.00 H new ATOM 0 HG3 ARG B 18 4.048 -26.368 0.471 1.00 0.00 H new ATOM 0 HD2 ARG B 18 6.369 -24.422 0.792 1.00 0.00 H new ATOM 0 HD3 ARG B 18 5.331 -24.988 2.085 1.00 0.00 H new ATOM 0 HE ARG B 18 6.438 -27.270 0.775 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.404 -24.534 2.787 1.00 0.00 H new ATOM 0 HH12 ARG B 18 8.762 -25.400 3.514 1.00 0.00 H new ATOM 0 HH21 ARG B 18 8.183 -28.375 1.715 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.201 -27.564 2.910 1.00 0.00 H new ATOM 1240 N GLU B 19 6.146 -25.201 -4.264 1.00 0.00 N ATOM 1241 CA GLU B 19 6.773 -25.648 -5.502 1.00 0.00 C ATOM 1242 C GLU B 19 6.976 -24.465 -6.445 1.00 0.00 C ATOM 1243 O GLU B 19 6.613 -24.522 -7.621 1.00 0.00 O ATOM 1244 CB GLU B 19 5.917 -26.719 -6.176 1.00 0.00 C ATOM 1245 CG GLU B 19 5.688 -27.943 -5.305 1.00 0.00 C ATOM 1246 CD GLU B 19 4.887 -29.020 -6.010 1.00 0.00 C ATOM 1247 OE1 GLU B 19 3.737 -28.740 -6.408 1.00 0.00 O ATOM 1248 OE2 GLU B 19 5.410 -30.142 -6.164 1.00 0.00 O ATOM 0 H GLU B 19 5.192 -24.859 -4.378 1.00 0.00 H new ATOM 0 HA GLU B 19 7.745 -26.080 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.953 -26.287 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.398 -27.027 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.651 -28.353 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU B 19 5.167 -27.645 -4.396 1.00 0.00 H new ATOM 1255 N SER B 20 7.549 -23.389 -5.911 1.00 0.00 N ATOM 1256 CA SER B 20 7.789 -22.176 -6.687 1.00 0.00 C ATOM 1257 C SER B 20 8.602 -21.156 -5.889 1.00 0.00 C ATOM 1258 O SER B 20 8.556 -21.131 -4.658 1.00 0.00 O ATOM 1259 CB SER B 20 6.462 -21.553 -7.125 1.00 0.00 C ATOM 1260 OG SER B 20 6.676 -20.379 -7.888 1.00 0.00 O ATOM 0 H SER B 20 7.857 -23.333 -4.940 1.00 0.00 H new ATOM 0 HA SER B 20 8.364 -22.456 -7.570 1.00 0.00 H new ATOM 0 HB2 SER B 20 5.895 -22.274 -7.713 1.00 0.00 H new ATOM 0 HB3 SER B 20 5.861 -21.315 -6.247 1.00 0.00 H new ATOM 0 HG SER B 20 5.812 -20.002 -8.157 1.00 0.00 H new ATOM 1266 N THR B 21 9.341 -20.319 -6.608 1.00 0.00 N ATOM 1267 CA THR B 21 10.173 -19.284 -5.999 1.00 0.00 C ATOM 1268 C THR B 21 9.312 -18.154 -5.436 1.00 0.00 C ATOM 1269 O THR B 21 8.117 -18.078 -5.722 1.00 0.00 O ATOM 1270 CB THR B 21 11.169 -18.708 -7.028 1.00 0.00 C ATOM 1271 OG1 THR B 21 11.894 -19.774 -7.654 1.00 0.00 O ATOM 1272 CG2 THR B 21 12.154 -17.752 -6.369 1.00 0.00 C ATOM 0 H THR B 21 9.381 -20.337 -7.627 1.00 0.00 H new ATOM 0 HA THR B 21 10.729 -19.745 -5.183 1.00 0.00 H new ATOM 0 HB THR B 21 10.597 -18.157 -7.775 1.00 0.00 H new ATOM 0 HG1 THR B 21 12.523 -19.402 -8.307 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.842 -17.364 -7.120 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.609 -16.925 -5.914 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.717 -18.282 -5.601 1.00 0.00 H new ATOM 1280 N LEU B 22 9.919 -17.275 -4.635 1.00 0.00 N ATOM 1281 CA LEU B 22 9.200 -16.160 -4.040 1.00 0.00 C ATOM 1282 C LEU B 22 8.543 -15.304 -5.117 1.00 0.00 C ATOM 1283 O LEU B 22 7.695 -14.487 -4.820 1.00 0.00 O ATOM 1284 CB LEU B 22 10.121 -15.293 -3.174 1.00 0.00 C ATOM 1285 CG LEU B 22 10.597 -13.989 -3.819 1.00 0.00 C ATOM 1286 CD1 LEU B 22 11.163 -13.051 -2.763 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.626 -14.257 -4.903 1.00 0.00 C ATOM 0 H LEU B 22 10.907 -17.319 -4.387 1.00 0.00 H new ATOM 0 HA LEU B 22 8.426 -16.580 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.598 -15.051 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.996 -15.883 -2.901 1.00 0.00 H new ATOM 0 HG LEU B 22 9.737 -13.509 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.497 -12.128 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.391 -12.822 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.007 -13.530 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.945 -13.312 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.487 -14.765 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.185 -14.886 -5.676 1.00 0.00 H new ATOM 1299 N GLU B 23 8.951 -15.486 -6.365 1.00 0.00 N ATOM 1300 CA GLU B 23 8.393 -14.706 -7.468 1.00 0.00 C ATOM 1301 C GLU B 23 6.884 -14.532 -7.291 1.00 0.00 C ATOM 1302 O GLU B 23 6.307 -13.542 -7.751 1.00 0.00 O ATOM 1303 CB GLU B 23 8.687 -15.391 -8.803 1.00 0.00 C ATOM 1304 CG GLU B 23 8.178 -14.621 -10.010 1.00 0.00 C ATOM 1305 CD GLU B 23 8.479 -15.324 -11.320 1.00 0.00 C ATOM 1306 OE1 GLU B 23 8.011 -16.468 -11.501 1.00 0.00 O ATOM 1307 OE2 GLU B 23 9.183 -14.732 -12.164 1.00 0.00 O ATOM 0 H GLU B 23 9.663 -16.163 -6.641 1.00 0.00 H new ATOM 0 HA GLU B 23 8.861 -13.722 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU B 23 9.764 -15.531 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.236 -16.383 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.101 -14.478 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU B 23 8.631 -13.630 -10.021 1.00 0.00 H new ATOM 1314 N THR B 24 6.259 -15.481 -6.595 1.00 0.00 N ATOM 1315 CA THR B 24 4.830 -15.414 -6.326 1.00 0.00 C ATOM 1316 C THR B 24 4.478 -14.081 -5.670 1.00 0.00 C ATOM 1317 O THR B 24 3.481 -13.451 -6.023 1.00 0.00 O ATOM 1318 CB THR B 24 4.365 -16.574 -5.425 1.00 0.00 C ATOM 1319 OG1 THR B 24 2.981 -16.412 -5.093 1.00 0.00 O ATOM 1320 CG2 THR B 24 5.194 -16.642 -4.152 1.00 0.00 C ATOM 0 H THR B 24 6.723 -16.303 -6.209 1.00 0.00 H new ATOM 0 HA THR B 24 4.313 -15.499 -7.282 1.00 0.00 H new ATOM 0 HB THR B 24 4.500 -17.506 -5.974 1.00 0.00 H new ATOM 0 HG1 THR B 24 2.474 -17.185 -5.418 1.00 0.00 H new ATOM 0 HG21 THR B 24 4.845 -17.469 -3.534 1.00 0.00 H new ATOM 0 HG22 THR B 24 6.242 -16.797 -4.408 1.00 0.00 H new ATOM 0 HG23 THR B 24 5.090 -15.708 -3.600 1.00 0.00 H new ATOM 1328 N LEU B 25 5.312 -13.642 -4.724 1.00 0.00 N ATOM 1329 CA LEU B 25 5.088 -12.368 -4.059 1.00 0.00 C ATOM 1330 C LEU B 25 5.301 -11.223 -5.037 1.00 0.00 C ATOM 1331 O LEU B 25 4.513 -10.290 -5.095 1.00 0.00 O ATOM 1332 CB LEU B 25 5.975 -12.194 -2.814 1.00 0.00 C ATOM 1333 CG LEU B 25 7.434 -12.657 -2.917 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.230 -11.786 -3.877 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.089 -12.649 -1.547 1.00 0.00 C ATOM 0 H LEU B 25 6.139 -14.148 -4.408 1.00 0.00 H new ATOM 0 HA LEU B 25 4.054 -12.356 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU B 25 5.975 -11.138 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.508 -12.733 -1.990 1.00 0.00 H new ATOM 0 HG LEU B 25 7.430 -13.674 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.259 -12.143 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU B 25 7.782 -11.835 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.220 -10.754 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.124 -12.980 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU B 25 8.065 -11.639 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.549 -13.323 -0.882 1.00 0.00 H new ATOM 1347 N GLU B 26 6.352 -11.303 -5.835 1.00 0.00 N ATOM 1348 CA GLU B 26 6.604 -10.263 -6.808 1.00 0.00 C ATOM 1349 C GLU B 26 5.398 -10.149 -7.728 1.00 0.00 C ATOM 1350 O GLU B 26 5.144 -9.104 -8.319 1.00 0.00 O ATOM 1351 CB GLU B 26 7.882 -10.547 -7.599 1.00 0.00 C ATOM 1352 CG GLU B 26 8.113 -9.583 -8.750 1.00 0.00 C ATOM 1353 CD GLU B 26 9.350 -9.922 -9.558 1.00 0.00 C ATOM 1354 OE1 GLU B 26 9.402 -11.033 -10.124 1.00 0.00 O ATOM 1355 OE2 GLU B 26 10.268 -9.077 -9.622 1.00 0.00 O ATOM 0 H GLU B 26 7.031 -12.064 -5.828 1.00 0.00 H new ATOM 0 HA GLU B 26 6.755 -9.314 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU B 26 8.735 -10.503 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU B 26 7.838 -11.563 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU B 26 7.242 -9.591 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.207 -8.571 -8.357 1.00 0.00 H new ATOM 1362 N GLU B 27 4.641 -11.238 -7.819 1.00 0.00 N ATOM 1363 CA GLU B 27 3.440 -11.260 -8.639 1.00 0.00 C ATOM 1364 C GLU B 27 2.252 -10.682 -7.870 1.00 0.00 C ATOM 1365 O GLU B 27 1.568 -9.781 -8.350 1.00 0.00 O ATOM 1366 CB GLU B 27 3.131 -12.691 -9.089 1.00 0.00 C ATOM 1367 CG GLU B 27 1.909 -12.798 -9.987 1.00 0.00 C ATOM 1368 CD GLU B 27 1.627 -14.222 -10.423 1.00 0.00 C ATOM 1369 OE1 GLU B 27 2.388 -15.129 -10.023 1.00 0.00 O ATOM 1370 OE2 GLU B 27 0.645 -14.433 -11.166 1.00 0.00 O ATOM 0 H GLU B 27 4.839 -12.114 -7.335 1.00 0.00 H new ATOM 0 HA GLU B 27 3.615 -10.643 -9.520 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.996 -13.091 -9.618 1.00 0.00 H new ATOM 0 HB3 GLU B 27 2.980 -13.315 -8.208 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.040 -12.405 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU B 27 2.055 -12.174 -10.869 1.00 0.00 H new ATOM 1377 N MET B 28 2.008 -11.224 -6.676 1.00 0.00 N ATOM 1378 CA MET B 28 0.896 -10.783 -5.832 1.00 0.00 C ATOM 1379 C MET B 28 1.295 -9.645 -4.891 1.00 0.00 C ATOM 1380 O MET B 28 0.598 -8.637 -4.785 1.00 0.00 O ATOM 1381 CB MET B 28 0.376 -11.951 -4.995 1.00 0.00 C ATOM 1382 CG MET B 28 -0.040 -13.157 -5.815 1.00 0.00 C ATOM 1383 SD MET B 28 -1.339 -12.777 -7.001 1.00 0.00 S ATOM 1384 CE MET B 28 -1.707 -14.419 -7.602 1.00 0.00 C ATOM 0 H MET B 28 2.569 -11.973 -6.270 1.00 0.00 H new ATOM 0 HA MET B 28 0.119 -10.416 -6.502 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.150 -12.253 -4.290 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.477 -11.612 -4.407 1.00 0.00 H new ATOM 0 HG2 MET B 28 0.828 -13.547 -6.346 1.00 0.00 H new ATOM 0 HG3 MET B 28 -0.384 -13.945 -5.145 1.00 0.00 H new ATOM 0 HE1 MET B 28 -2.498 -14.364 -8.350 1.00 0.00 H new ATOM 0 HE2 MET B 28 -0.812 -14.851 -8.050 1.00 0.00 H new ATOM 0 HE3 MET B 28 -2.036 -15.045 -6.772 1.00 0.00 H new ATOM 1394 N LEU B 29 2.410 -9.840 -4.197 1.00 0.00 N ATOM 1395 CA LEU B 29 2.916 -8.862 -3.231 1.00 0.00 C ATOM 1396 C LEU B 29 3.229 -7.522 -3.900 1.00 0.00 C ATOM 1397 O LEU B 29 3.039 -6.464 -3.301 1.00 0.00 O ATOM 1398 CB LEU B 29 4.140 -9.446 -2.507 1.00 0.00 C ATOM 1399 CG LEU B 29 4.947 -8.481 -1.638 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.199 -8.139 -0.364 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.294 -9.094 -1.302 1.00 0.00 C ATOM 0 H LEU B 29 2.989 -10.675 -4.284 1.00 0.00 H new ATOM 0 HA LEU B 29 2.141 -8.659 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU B 29 3.803 -10.270 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.809 -9.870 -3.256 1.00 0.00 H new ATOM 0 HG LEU B 29 5.099 -7.559 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.796 -7.451 0.235 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.248 -7.670 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.015 -9.050 0.205 1.00 0.00 H new ATOM 0 HD21 LEU B 29 6.864 -8.402 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU B 29 6.144 -10.027 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU B 29 6.843 -9.294 -2.222 1.00 0.00 H new ATOM 1413 N GLU B 30 3.686 -7.564 -5.148 1.00 0.00 N ATOM 1414 CA GLU B 30 3.993 -6.339 -5.887 1.00 0.00 C ATOM 1415 C GLU B 30 2.722 -5.543 -6.162 1.00 0.00 C ATOM 1416 O GLU B 30 2.740 -4.312 -6.192 1.00 0.00 O ATOM 1417 CB GLU B 30 4.684 -6.661 -7.212 1.00 0.00 C ATOM 1418 CG GLU B 30 4.883 -5.449 -8.108 1.00 0.00 C ATOM 1419 CD GLU B 30 5.520 -5.803 -9.438 1.00 0.00 C ATOM 1420 OE1 GLU B 30 6.648 -6.341 -9.432 1.00 0.00 O ATOM 1421 OE2 GLU B 30 4.892 -5.544 -10.485 1.00 0.00 O ATOM 0 H GLU B 30 3.852 -8.426 -5.668 1.00 0.00 H new ATOM 0 HA GLU B 30 4.665 -5.742 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.654 -7.112 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.094 -7.405 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU B 30 3.919 -4.972 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.508 -4.720 -7.593 1.00 0.00 H new ATOM 1428 N LYS B 31 1.622 -6.253 -6.365 1.00 0.00 N ATOM 1429 CA LYS B 31 0.345 -5.612 -6.637 1.00 0.00 C ATOM 1430 C LYS B 31 -0.327 -5.250 -5.332 1.00 0.00 C ATOM 1431 O LYS B 31 -1.091 -4.290 -5.242 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.539 -6.541 -7.460 1.00 0.00 C ATOM 1433 CG LYS B 31 0.237 -7.256 -8.546 1.00 0.00 C ATOM 1434 CD LYS B 31 0.921 -6.278 -9.489 1.00 0.00 C ATOM 1435 CE LYS B 31 1.827 -6.996 -10.477 1.00 0.00 C ATOM 1436 NZ LYS B 31 1.070 -7.955 -11.330 1.00 0.00 N ATOM 0 H LYS B 31 1.588 -7.272 -6.346 1.00 0.00 H new ATOM 0 HA LYS B 31 0.510 -4.700 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.002 -7.277 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.347 -5.965 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS B 31 0.985 -7.905 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.438 -7.896 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.168 -5.708 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.506 -5.563 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.326 -6.263 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS B 31 2.606 -7.531 -9.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.698 -8.335 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.713 -8.735 -10.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.269 -7.465 -11.777 1.00 0.00 H new ATOM 1450 N LEU B 32 -0.011 -6.031 -4.315 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.545 -5.810 -2.993 1.00 0.00 C ATOM 1452 C LEU B 32 -0.042 -4.484 -2.457 1.00 0.00 C ATOM 1453 O LEU B 32 -0.685 -3.842 -1.629 1.00 0.00 O ATOM 1454 CB LEU B 32 -0.138 -6.946 -2.074 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.900 -6.992 -0.755 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.401 -7.005 -1.000 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.478 -8.202 0.048 1.00 0.00 C ATOM 0 H LEU B 32 0.619 -6.830 -4.386 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.633 -5.779 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.284 -7.891 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.928 -6.861 -1.861 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.661 -6.095 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.925 -7.038 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.689 -6.104 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.666 -7.883 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -1.029 -8.225 0.988 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.691 -9.108 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.591 -8.147 0.255 1.00 0.00 H new ATOM 1469 N GLU B 33 1.119 -4.070 -2.946 1.00 0.00 N ATOM 1470 CA GLU B 33 1.690 -2.799 -2.529 1.00 0.00 C ATOM 1471 C GLU B 33 1.122 -1.676 -3.385 1.00 0.00 C ATOM 1472 O GLU B 33 0.828 -0.591 -2.882 1.00 0.00 O ATOM 1473 CB GLU B 33 3.218 -2.810 -2.601 1.00 0.00 C ATOM 1474 CG GLU B 33 3.777 -2.798 -4.017 1.00 0.00 C ATOM 1475 CD GLU B 33 5.274 -2.554 -4.056 1.00 0.00 C ATOM 1476 OE1 GLU B 33 5.718 -1.512 -3.530 1.00 0.00 O ATOM 1477 OE2 GLU B 33 5.999 -3.400 -4.621 1.00 0.00 O ATOM 0 H GLU B 33 1.677 -4.589 -3.624 1.00 0.00 H new ATOM 0 HA GLU B 33 1.419 -2.632 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.602 -1.943 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.588 -3.695 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.556 -3.751 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.272 -2.024 -4.596 1.00 0.00 H new ATOM 1484 N VAL B 34 0.960 -1.945 -4.684 1.00 0.00 N ATOM 1485 CA VAL B 34 0.412 -0.947 -5.591 1.00 0.00 C ATOM 1486 C VAL B 34 -1.030 -0.642 -5.218 1.00 0.00 C ATOM 1487 O VAL B 34 -1.475 0.503 -5.330 1.00 0.00 O ATOM 1488 CB VAL B 34 0.484 -1.361 -7.075 1.00 0.00 C ATOM 1489 CG1 VAL B 34 1.904 -1.745 -7.459 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.489 -2.486 -7.382 1.00 0.00 C ATOM 0 H VAL B 34 1.199 -2.835 -5.121 1.00 0.00 H new ATOM 0 HA VAL B 34 1.032 -0.058 -5.480 1.00 0.00 H new ATOM 0 HB VAL B 34 0.191 -0.501 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.931 -2.034 -8.510 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.567 -0.895 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.233 -2.583 -6.844 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -0.414 -2.755 -8.436 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -0.247 -3.354 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.505 -2.158 -7.163 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.759 -1.660 -4.745 1.00 0.00 N ATOM 1501 CA VAL B 35 -3.138 -1.439 -4.335 1.00 0.00 C ATOM 1502 C VAL B 35 -3.146 -0.337 -3.296 1.00 0.00 C ATOM 1503 O VAL B 35 -3.933 0.601 -3.376 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.825 -2.698 -3.749 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -3.953 -3.795 -4.790 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -3.086 -3.212 -2.533 1.00 0.00 C ATOM 0 H VAL B 35 -1.423 -2.617 -4.641 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.706 -1.169 -5.226 1.00 0.00 H new ATOM 0 HB VAL B 35 -4.828 -2.402 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -4.439 -4.663 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -4.550 -3.434 -5.627 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -2.962 -4.076 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -3.593 -4.096 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -2.065 -3.472 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -3.067 -2.439 -1.765 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.226 -0.433 -2.340 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.115 0.593 -1.320 1.00 0.00 C ATOM 1518 C VAL B 36 -1.321 1.778 -1.847 1.00 0.00 C ATOM 1519 O VAL B 36 -1.436 2.877 -1.340 1.00 0.00 O ATOM 1520 CB VAL B 36 -1.498 0.098 0.003 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -2.549 0.130 1.102 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -0.878 -1.286 -0.147 1.00 0.00 C ATOM 0 H VAL B 36 -1.559 -1.200 -2.254 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.137 0.894 -1.089 1.00 0.00 H new ATOM 0 HB VAL B 36 -0.686 0.770 0.281 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -2.110 -0.221 2.036 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -2.909 1.151 1.231 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.382 -0.517 0.828 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -0.454 -1.600 0.807 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.645 -1.997 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.091 -1.252 -0.901 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.536 1.569 -2.888 1.00 0.00 N ATOM 1533 CA ASN B 37 0.214 2.675 -3.459 1.00 0.00 C ATOM 1534 C ASN B 37 -0.774 3.787 -3.769 1.00 0.00 C ATOM 1535 O ASN B 37 -0.489 4.971 -3.585 1.00 0.00 O ATOM 1536 CB ASN B 37 0.950 2.235 -4.725 1.00 0.00 C ATOM 1537 CG ASN B 37 1.830 3.325 -5.303 1.00 0.00 C ATOM 1538 OD1 ASN B 37 1.363 4.418 -5.619 1.00 0.00 O ATOM 1539 ND2 ASN B 37 3.114 3.023 -5.451 1.00 0.00 N ATOM 0 H ASN B 37 -0.402 0.668 -3.347 1.00 0.00 H new ATOM 0 HA ASN B 37 0.969 3.024 -2.755 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.562 1.362 -4.499 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.221 1.927 -5.475 1.00 0.00 H new ATOM 0 HD21 ASN B 37 3.758 3.711 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN B 37 3.457 2.103 -5.175 1.00 0.00 H new ATOM 1546 N GLU B 38 -1.960 3.372 -4.204 1.00 0.00 N ATOM 1547 CA GLU B 38 -3.040 4.300 -4.510 1.00 0.00 C ATOM 1548 C GLU B 38 -3.775 4.695 -3.231 1.00 0.00 C ATOM 1549 O GLU B 38 -4.078 5.867 -3.014 1.00 0.00 O ATOM 1550 CB GLU B 38 -4.019 3.671 -5.500 1.00 0.00 C ATOM 1551 CG GLU B 38 -3.382 3.281 -6.824 1.00 0.00 C ATOM 1552 CD GLU B 38 -2.783 4.466 -7.554 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -3.536 5.412 -7.869 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -1.560 4.448 -7.811 1.00 0.00 O ATOM 0 H GLU B 38 -2.197 2.391 -4.353 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.610 5.194 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.463 2.785 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.831 4.373 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.604 2.539 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -4.132 2.809 -7.459 1.00 0.00 H new ATOM 1561 N ARG B 39 -4.053 3.702 -2.387 1.00 0.00 N ATOM 1562 CA ARG B 39 -4.746 3.940 -1.122 1.00 0.00 C ATOM 1563 C ARG B 39 -3.855 4.706 -0.149 1.00 0.00 C ATOM 1564 O ARG B 39 -4.221 5.766 0.347 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.169 2.617 -0.477 1.00 0.00 C ATOM 1566 CG ARG B 39 -6.434 1.991 -1.047 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.338 1.752 -2.540 1.00 0.00 C ATOM 1568 NE ARG B 39 -6.727 2.926 -3.315 1.00 0.00 N ATOM 1569 CZ ARG B 39 -7.950 3.449 -3.298 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -8.899 2.905 -2.547 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -8.227 4.520 -4.029 1.00 0.00 N ATOM 0 H ARG B 39 -3.809 2.726 -2.556 1.00 0.00 H new ATOM 0 HA ARG B 39 -5.633 4.535 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -4.352 1.903 -0.581 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -5.314 2.782 0.591 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -6.627 1.045 -0.542 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.283 2.642 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.316 1.473 -2.796 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -6.976 0.911 -2.813 1.00 0.00 H new ATOM 0 HE ARG B 39 -6.022 3.370 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -8.692 2.083 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -9.836 3.309 -2.537 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -7.501 4.945 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -9.166 4.919 -4.014 1.00 0.00 H new ATOM 1585 N ARG B 40 -2.686 4.151 0.120 1.00 0.00 N ATOM 1586 CA ARG B 40 -1.730 4.771 1.043 1.00 0.00 C ATOM 1587 C ARG B 40 -1.560 6.260 0.755 1.00 0.00 C ATOM 1588 O ARG B 40 -1.419 7.062 1.676 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.357 4.079 0.981 1.00 0.00 C ATOM 1590 CG ARG B 40 -0.213 2.893 1.929 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.463 3.318 3.368 1.00 0.00 C ATOM 1592 NE ARG B 40 -0.208 2.245 4.325 1.00 0.00 N ATOM 1593 CZ ARG B 40 -0.407 2.367 5.634 1.00 0.00 C ATOM 1594 NH1 ARG B 40 -0.886 3.500 6.132 1.00 0.00 N ATOM 1595 NH2 ARG B 40 -0.132 1.358 6.449 1.00 0.00 N ATOM 0 H ARG B 40 -2.368 3.270 -0.285 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.141 4.651 2.045 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -0.180 3.738 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG B 40 0.417 4.811 1.212 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -0.918 2.110 1.649 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.787 2.469 1.839 1.00 0.00 H new ATOM 0 HD2 ARG B 40 0.173 4.171 3.606 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -1.496 3.652 3.470 1.00 0.00 H new ATOM 0 HE ARG B 40 0.141 1.355 3.971 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -1.102 4.279 5.510 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -1.038 3.592 7.136 1.00 0.00 H new ATOM 0 HH21 ARG B 40 0.234 0.483 6.073 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -0.286 1.456 7.452 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.545 6.625 -0.521 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.361 8.022 -0.904 1.00 0.00 C ATOM 1611 C GLU B 41 -2.671 8.822 -0.932 1.00 0.00 C ATOM 1612 O GLU B 41 -2.748 9.913 -0.367 1.00 0.00 O ATOM 1613 CB GLU B 41 -0.681 8.105 -2.270 1.00 0.00 C ATOM 1614 CG GLU B 41 0.703 7.478 -2.300 1.00 0.00 C ATOM 1615 CD GLU B 41 1.370 7.600 -3.655 1.00 0.00 C ATOM 1616 OE1 GLU B 41 0.806 7.088 -4.643 1.00 0.00 O ATOM 1617 OE2 GLU B 41 2.459 8.209 -3.727 1.00 0.00 O ATOM 0 H GLU B 41 -1.657 5.980 -1.303 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.730 8.472 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -1.310 7.611 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -0.603 9.152 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU B 41 1.330 7.955 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU B 41 0.626 6.425 -2.031 1.00 0.00 H new ATOM 1624 N GLU B 42 -3.684 8.299 -1.617 1.00 0.00 N ATOM 1625 CA GLU B 42 -4.964 8.998 -1.744 1.00 0.00 C ATOM 1626 C GLU B 42 -5.930 8.670 -0.613 1.00 0.00 C ATOM 1627 O GLU B 42 -6.624 9.550 -0.096 1.00 0.00 O ATOM 1628 CB GLU B 42 -5.611 8.659 -3.088 1.00 0.00 C ATOM 1629 CG GLU B 42 -6.928 9.380 -3.331 1.00 0.00 C ATOM 1630 CD GLU B 42 -7.539 9.039 -4.675 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -7.827 7.846 -4.913 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -7.731 9.964 -5.492 1.00 0.00 O ATOM 0 H GLU B 42 -3.646 7.397 -2.092 1.00 0.00 H new ATOM 0 HA GLU B 42 -4.751 10.065 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -4.916 8.910 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.781 7.584 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.631 9.121 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.765 10.456 -3.272 1.00 0.00 H new ATOM 1639 N GLU B 43 -5.997 7.400 -0.252 1.00 0.00 N ATOM 1640 CA GLU B 43 -6.903 6.954 0.792 1.00 0.00 C ATOM 1641 C GLU B 43 -6.466 7.436 2.168 1.00 0.00 C ATOM 1642 O GLU B 43 -7.287 7.936 2.941 1.00 0.00 O ATOM 1643 CB GLU B 43 -7.026 5.442 0.756 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.753 4.936 -0.478 1.00 0.00 C ATOM 1645 CD GLU B 43 -9.136 5.542 -0.661 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -9.585 6.294 0.228 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -9.775 5.255 -1.694 1.00 0.00 O ATOM 0 H GLU B 43 -5.433 6.658 -0.668 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.882 7.394 0.601 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.030 5.001 0.791 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -7.555 5.105 1.647 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.150 5.154 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.846 3.852 -0.416 1.00 0.00 H new ATOM 1654 N SER B 44 -5.175 7.316 2.472 1.00 0.00 N ATOM 1655 CA SER B 44 -4.672 7.786 3.755 1.00 0.00 C ATOM 1656 C SER B 44 -5.062 9.245 3.901 1.00 0.00 C ATOM 1657 O SER B 44 -5.365 9.725 4.994 1.00 0.00 O ATOM 1658 CB SER B 44 -3.155 7.628 3.845 1.00 0.00 C ATOM 1659 OG SER B 44 -2.667 8.082 5.095 1.00 0.00 O ATOM 0 H SER B 44 -4.472 6.905 1.858 1.00 0.00 H new ATOM 0 HA SER B 44 -5.105 7.192 4.560 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.887 6.581 3.705 1.00 0.00 H new ATOM 0 HB3 SER B 44 -2.680 8.189 3.040 1.00 0.00 H new ATOM 0 HG SER B 44 -1.694 7.968 5.127 1.00 0.00 H new ATOM 1665 N ALA B 45 -5.085 9.925 2.759 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.474 11.320 2.692 1.00 0.00 C ATOM 1667 C ALA B 45 -6.931 11.462 3.111 1.00 0.00 C ATOM 1668 O ALA B 45 -7.286 12.360 3.877 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.269 11.841 1.278 1.00 0.00 C ATOM 0 H ALA B 45 -4.834 9.520 1.857 1.00 0.00 H new ATOM 0 HA ALA B 45 -4.856 11.907 3.371 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -5.562 12.890 1.231 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.218 11.745 1.004 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -5.879 11.262 0.585 1.00 0.00 H new ATOM 1675 N ALA B 46 -7.764 10.549 2.615 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.183 10.544 2.945 1.00 0.00 C ATOM 1677 C ALA B 46 -9.371 10.353 4.444 1.00 0.00 C ATOM 1678 O ALA B 46 -10.237 10.975 5.061 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.901 9.442 2.177 1.00 0.00 C ATOM 0 H ALA B 46 -7.477 9.803 1.982 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.613 11.503 2.657 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.960 9.450 2.434 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.786 9.610 1.106 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.471 8.476 2.441 1.00 0.00 H new