USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 856 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 60:sc= 0.375 USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= 0.348 (180deg=-0.125) USER MOD Single : A 25 SER OG : rot 53:sc= 0.599 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -4.47! C(o=-5.2!,f=-4.5!) USER MOD Single : A 35 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -3.48! C(o=-6!,f=-3.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -130:sc= -2.46! USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 SER OG : rot 41:sc= 1.09 USER MOD Single : B 30 HIS : no HE2:sc= -8.96! C(o=-9!,f=-8.6!) USER MOD Single : B 35 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.1!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.721 16.442 -5.622 1.00 0.00 N ATOM 2 CA GLY A 1 -2.555 16.675 -6.519 1.00 0.00 C ATOM 3 C GLY A 1 -1.481 15.618 -6.359 1.00 0.00 C ATOM 4 O GLY A 1 -1.127 15.248 -5.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.427 17.191 -5.769 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.146 15.518 -5.838 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.405 16.454 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.894 16.690 -7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.129 17.656 -6.309 1.00 0.00 H new ATOM 10 N SER A 2 -0.961 15.131 -7.483 1.00 0.00 N ATOM 11 CA SER A 2 0.080 14.108 -7.467 1.00 0.00 C ATOM 12 C SER A 2 1.449 14.720 -7.169 1.00 0.00 C ATOM 13 O SER A 2 2.443 14.383 -7.812 1.00 0.00 O ATOM 14 CB SER A 2 0.119 13.373 -8.809 1.00 0.00 C ATOM 15 OG SER A 2 -1.120 12.740 -9.080 1.00 0.00 O ATOM 0 H SER A 2 -1.244 15.429 -8.417 1.00 0.00 H new ATOM 0 HA SER A 2 -0.157 13.398 -6.675 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.353 14.078 -9.607 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.916 12.629 -8.797 1.00 0.00 H new ATOM 0 HG SER A 2 -1.070 12.279 -9.943 1.00 0.00 H new ATOM 21 N ALA A 3 1.493 15.619 -6.190 1.00 0.00 N ATOM 22 CA ALA A 3 2.738 16.274 -5.808 1.00 0.00 C ATOM 23 C ALA A 3 3.754 15.263 -5.287 1.00 0.00 C ATOM 24 O ALA A 3 3.416 14.376 -4.503 1.00 0.00 O ATOM 25 CB ALA A 3 2.471 17.345 -4.761 1.00 0.00 C ATOM 0 H ALA A 3 0.680 15.910 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 3 3.158 16.746 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.409 17.826 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.788 18.090 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.024 16.887 -3.878 1.00 0.00 H new ATOM 31 N ALA A 4 5.000 15.404 -5.728 1.00 0.00 N ATOM 32 CA ALA A 4 6.069 14.504 -5.308 1.00 0.00 C ATOM 33 C ALA A 4 6.284 14.567 -3.799 1.00 0.00 C ATOM 34 O ALA A 4 6.318 15.650 -3.213 1.00 0.00 O ATOM 35 CB ALA A 4 7.359 14.843 -6.040 1.00 0.00 C ATOM 0 H ALA A 4 5.295 16.134 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 4 5.773 13.486 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.149 14.165 -5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.206 14.738 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.647 15.869 -5.813 1.00 0.00 H new ATOM 41 N SER A 5 6.431 13.400 -3.177 1.00 0.00 N ATOM 42 CA SER A 5 6.647 13.319 -1.734 1.00 0.00 C ATOM 43 C SER A 5 6.911 11.877 -1.295 1.00 0.00 C ATOM 44 O SER A 5 6.192 11.337 -0.454 1.00 0.00 O ATOM 45 CB SER A 5 5.435 13.876 -0.982 1.00 0.00 C ATOM 46 OG SER A 5 4.272 13.113 -1.246 1.00 0.00 O ATOM 0 H SER A 5 6.405 12.496 -3.650 1.00 0.00 H new ATOM 0 HA SER A 5 7.525 13.918 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.637 13.876 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.267 14.912 -1.275 1.00 0.00 H new ATOM 0 HG SER A 5 4.416 12.187 -0.960 1.00 0.00 H new ATOM 52 N PRO A 6 7.943 11.225 -1.862 1.00 0.00 N ATOM 53 CA PRO A 6 8.291 9.850 -1.529 1.00 0.00 C ATOM 54 C PRO A 6 9.183 9.740 -0.299 1.00 0.00 C ATOM 55 O PRO A 6 9.908 10.673 0.046 1.00 0.00 O ATOM 56 CB PRO A 6 9.045 9.347 -2.762 1.00 0.00 C ATOM 57 CG PRO A 6 9.260 10.540 -3.651 1.00 0.00 C ATOM 58 CD PRO A 6 8.853 11.765 -2.875 1.00 0.00 C ATOM 0 HA PRO A 6 7.398 9.273 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.997 8.899 -2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.472 8.577 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.305 10.608 -3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.669 10.450 -4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.712 12.260 -2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.359 12.500 -3.511 1.00 0.00 H new ATOM 66 N ALA A 7 9.129 8.579 0.343 1.00 0.00 N ATOM 67 CA ALA A 7 9.932 8.302 1.529 1.00 0.00 C ATOM 68 C ALA A 7 9.649 9.285 2.648 1.00 0.00 C ATOM 69 O ALA A 7 10.538 9.648 3.419 1.00 0.00 O ATOM 70 CB ALA A 7 11.410 8.300 1.179 1.00 0.00 C ATOM 0 H ALA A 7 8.529 7.805 0.058 1.00 0.00 H new ATOM 0 HA ALA A 7 9.653 7.312 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.996 8.092 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.606 7.532 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.691 9.275 0.780 1.00 0.00 H new ATOM 76 N VAL A 8 8.392 9.668 2.759 1.00 0.00 N ATOM 77 CA VAL A 8 7.954 10.556 3.813 1.00 0.00 C ATOM 78 C VAL A 8 7.756 9.735 5.062 1.00 0.00 C ATOM 79 O VAL A 8 6.641 9.538 5.525 1.00 0.00 O ATOM 80 CB VAL A 8 6.655 11.302 3.466 1.00 0.00 C ATOM 81 CG1 VAL A 8 6.202 12.138 4.653 1.00 0.00 C ATOM 82 CG2 VAL A 8 6.857 12.174 2.238 1.00 0.00 C ATOM 0 H VAL A 8 7.651 9.373 2.124 1.00 0.00 H new ATOM 0 HA VAL A 8 8.718 11.320 3.956 1.00 0.00 H new ATOM 0 HB VAL A 8 5.878 10.572 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.281 12.663 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.024 11.488 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.976 12.864 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.929 12.695 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.643 12.903 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.145 11.550 1.392 1.00 0.00 H new ATOM 92 N ASP A 9 8.851 9.184 5.551 1.00 0.00 N ATOM 93 CA ASP A 9 8.804 8.306 6.694 1.00 0.00 C ATOM 94 C ASP A 9 8.030 7.070 6.283 1.00 0.00 C ATOM 95 O ASP A 9 7.673 6.229 7.102 1.00 0.00 O ATOM 96 CB ASP A 9 8.153 8.995 7.889 1.00 0.00 C ATOM 97 CG ASP A 9 8.952 10.188 8.379 1.00 0.00 C ATOM 98 OD1 ASP A 9 10.013 10.476 7.787 1.00 0.00 O ATOM 99 OD2 ASP A 9 8.515 10.834 9.355 1.00 0.00 O ATOM 0 H ASP A 9 9.785 9.333 5.169 1.00 0.00 H new ATOM 0 HA ASP A 9 9.812 8.033 7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.150 9.322 7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.042 8.277 8.702 1.00 0.00 H new ATOM 104 N ILE A 10 7.820 7.002 4.966 1.00 0.00 N ATOM 105 CA ILE A 10 7.130 5.936 4.268 1.00 0.00 C ATOM 106 C ILE A 10 5.806 5.495 4.919 1.00 0.00 C ATOM 107 O ILE A 10 4.751 5.595 4.298 1.00 0.00 O ATOM 108 CB ILE A 10 8.085 4.763 4.028 1.00 0.00 C ATOM 109 CG1 ILE A 10 7.856 4.199 2.634 1.00 0.00 C ATOM 110 CG2 ILE A 10 7.933 3.699 5.087 1.00 0.00 C ATOM 111 CD1 ILE A 10 7.991 5.247 1.538 1.00 0.00 C ATOM 0 H ILE A 10 8.147 7.732 4.333 1.00 0.00 H new ATOM 0 HA ILE A 10 6.821 6.344 3.305 1.00 0.00 H new ATOM 0 HB ILE A 10 9.110 5.126 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.570 3.396 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.861 3.757 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.626 2.882 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.151 4.126 6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.912 3.319 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.816 4.783 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.259 6.038 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.995 5.671 1.562 1.00 0.00 H new ATOM 123 N GLY A 11 5.835 5.035 6.156 1.00 0.00 N ATOM 124 CA GLY A 11 4.608 4.625 6.811 1.00 0.00 C ATOM 125 C GLY A 11 3.603 5.730 6.842 1.00 0.00 C ATOM 126 O GLY A 11 2.434 5.513 7.151 1.00 0.00 O ATOM 0 H GLY A 11 6.680 4.937 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.187 3.765 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.828 4.305 7.829 1.00 0.00 H new ATOM 130 N ASP A 12 4.060 6.916 6.513 1.00 0.00 N ATOM 131 CA ASP A 12 3.207 8.061 6.491 1.00 0.00 C ATOM 132 C ASP A 12 2.248 7.973 5.323 1.00 0.00 C ATOM 133 O ASP A 12 1.068 8.302 5.434 1.00 0.00 O ATOM 134 CB ASP A 12 4.067 9.301 6.372 1.00 0.00 C ATOM 135 CG ASP A 12 4.819 9.616 7.652 1.00 0.00 C ATOM 136 OD1 ASP A 12 4.698 8.837 8.621 1.00 0.00 O ATOM 137 OD2 ASP A 12 5.530 10.642 7.684 1.00 0.00 O ATOM 0 H ASP A 12 5.029 7.104 6.256 1.00 0.00 H new ATOM 0 HA ASP A 12 2.622 8.106 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.781 9.167 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.438 10.151 6.106 1.00 0.00 H new ATOM 142 N ARG A 13 2.776 7.503 4.208 1.00 0.00 N ATOM 143 CA ARG A 13 2.007 7.330 2.999 1.00 0.00 C ATOM 144 C ARG A 13 1.010 6.209 3.207 1.00 0.00 C ATOM 145 O ARG A 13 -0.197 6.345 3.007 1.00 0.00 O ATOM 146 CB ARG A 13 2.984 6.955 1.905 1.00 0.00 C ATOM 147 CG ARG A 13 4.118 7.947 1.740 1.00 0.00 C ATOM 148 CD ARG A 13 5.106 7.511 0.670 1.00 0.00 C ATOM 149 NE ARG A 13 4.831 6.177 0.134 1.00 0.00 N ATOM 150 CZ ARG A 13 4.950 5.059 0.841 1.00 0.00 C ATOM 151 NH1 ARG A 13 5.259 5.120 2.116 1.00 0.00 N ATOM 152 NH2 ARG A 13 4.743 3.883 0.282 1.00 0.00 N ATOM 0 H ARG A 13 3.755 7.231 4.120 1.00 0.00 H new ATOM 0 HA ARG A 13 1.464 8.237 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.401 5.972 2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.445 6.871 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.710 8.924 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.640 8.062 2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.088 8.233 -0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.113 7.526 1.088 1.00 0.00 H new ATOM 0 HE ARG A 13 4.531 6.102 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.407 6.025 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.351 4.262 2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.488 3.825 -0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.837 3.031 0.836 1.00 0.00 H new ATOM 166 N LEU A 14 1.581 5.115 3.641 1.00 0.00 N ATOM 167 CA LEU A 14 0.896 3.885 3.959 1.00 0.00 C ATOM 168 C LEU A 14 -0.261 4.104 4.912 1.00 0.00 C ATOM 169 O LEU A 14 -1.377 3.639 4.683 1.00 0.00 O ATOM 170 CB LEU A 14 1.952 3.043 4.614 1.00 0.00 C ATOM 171 CG LEU A 14 2.935 2.422 3.638 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.327 2.488 4.209 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.534 1.000 3.313 1.00 0.00 C ATOM 0 H LEU A 14 2.588 5.053 3.790 1.00 0.00 H new ATOM 0 HA LEU A 14 0.461 3.427 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.502 3.657 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.469 2.249 5.183 1.00 0.00 H new ATOM 0 HG LEU A 14 2.921 2.985 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.030 2.041 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.600 3.529 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.360 1.942 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.250 0.571 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.522 0.407 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.540 0.996 2.865 1.00 0.00 H new ATOM 185 N ASP A 15 0.026 4.809 5.985 1.00 0.00 N ATOM 186 CA ASP A 15 -0.967 5.104 6.996 1.00 0.00 C ATOM 187 C ASP A 15 -2.175 5.765 6.348 1.00 0.00 C ATOM 188 O ASP A 15 -3.309 5.345 6.555 1.00 0.00 O ATOM 189 CB ASP A 15 -0.348 6.021 8.051 1.00 0.00 C ATOM 190 CG ASP A 15 -1.091 5.987 9.369 1.00 0.00 C ATOM 191 OD1 ASP A 15 -2.273 6.386 9.395 1.00 0.00 O ATOM 192 OD2 ASP A 15 -0.493 5.554 10.377 1.00 0.00 O ATOM 0 H ASP A 15 0.951 5.193 6.181 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.297 4.183 7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.689 5.728 8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.334 7.043 7.674 1.00 0.00 H new ATOM 197 N GLU A 16 -1.909 6.785 5.545 1.00 0.00 N ATOM 198 CA GLU A 16 -2.955 7.510 4.837 1.00 0.00 C ATOM 199 C GLU A 16 -3.634 6.615 3.808 1.00 0.00 C ATOM 200 O GLU A 16 -4.768 6.854 3.393 1.00 0.00 O ATOM 201 CB GLU A 16 -2.363 8.727 4.134 1.00 0.00 C ATOM 202 CG GLU A 16 -1.653 9.675 5.080 1.00 0.00 C ATOM 203 CD GLU A 16 -1.158 10.931 4.389 1.00 0.00 C ATOM 204 OE1 GLU A 16 -0.303 10.813 3.487 1.00 0.00 O ATOM 205 OE2 GLU A 16 -1.629 12.030 4.747 1.00 0.00 O ATOM 0 H GLU A 16 -0.967 7.132 5.366 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.697 7.833 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.661 8.392 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.160 9.265 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.332 9.953 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.808 9.160 5.537 1.00 0.00 H new ATOM 212 N LEU A 17 -2.899 5.601 3.392 1.00 0.00 N ATOM 213 CA LEU A 17 -3.350 4.644 2.392 1.00 0.00 C ATOM 214 C LEU A 17 -4.431 3.741 2.960 1.00 0.00 C ATOM 215 O LEU A 17 -5.438 3.465 2.311 1.00 0.00 O ATOM 216 CB LEU A 17 -2.121 3.829 1.942 1.00 0.00 C ATOM 217 CG LEU A 17 -2.178 3.137 0.577 1.00 0.00 C ATOM 218 CD1 LEU A 17 -3.293 2.107 0.524 1.00 0.00 C ATOM 219 CD2 LEU A 17 -2.311 4.163 -0.535 1.00 0.00 C ATOM 0 H LEU A 17 -1.959 5.414 3.742 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.789 5.161 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.259 4.497 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.933 3.065 2.696 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.241 2.600 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.306 1.635 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.125 1.349 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.250 2.597 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.350 3.653 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.226 4.738 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.453 4.835 -0.515 1.00 0.00 H new ATOM 231 N GLU A 18 -4.221 3.309 4.182 1.00 0.00 N ATOM 232 CA GLU A 18 -5.177 2.459 4.860 1.00 0.00 C ATOM 233 C GLU A 18 -6.371 3.270 5.251 1.00 0.00 C ATOM 234 O GLU A 18 -7.505 2.830 5.120 1.00 0.00 O ATOM 235 CB GLU A 18 -4.544 1.842 6.103 1.00 0.00 C ATOM 236 CG GLU A 18 -5.499 0.979 6.903 1.00 0.00 C ATOM 237 CD GLU A 18 -4.825 0.289 8.074 1.00 0.00 C ATOM 238 OE1 GLU A 18 -3.612 0.508 8.275 1.00 0.00 O ATOM 239 OE2 GLU A 18 -5.512 -0.468 8.792 1.00 0.00 O ATOM 0 H GLU A 18 -3.391 3.533 4.731 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.483 1.658 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.687 1.239 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.165 2.640 6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.317 1.597 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.938 0.227 6.248 1.00 0.00 H new ATOM 246 N LYS A 19 -6.102 4.459 5.728 1.00 0.00 N ATOM 247 CA LYS A 19 -7.150 5.344 6.137 1.00 0.00 C ATOM 248 C LYS A 19 -8.051 5.641 4.959 1.00 0.00 C ATOM 249 O LYS A 19 -9.274 5.700 5.090 1.00 0.00 O ATOM 250 CB LYS A 19 -6.544 6.604 6.702 1.00 0.00 C ATOM 251 CG LYS A 19 -5.559 6.276 7.787 1.00 0.00 C ATOM 252 CD LYS A 19 -6.241 6.058 9.124 1.00 0.00 C ATOM 253 CE LYS A 19 -5.230 5.779 10.223 1.00 0.00 C ATOM 254 NZ LYS A 19 -4.476 4.517 9.984 1.00 0.00 N ATOM 0 H LYS A 19 -5.160 4.833 5.841 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.756 4.878 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.047 7.162 5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.330 7.246 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.003 5.380 7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.835 7.086 7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.828 6.939 9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.937 5.223 9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.530 6.612 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.745 5.717 11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.484 3.939 10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.923 3.987 9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.494 4.743 9.727 1.00 0.00 H new ATOM 268 N ALA A 20 -7.431 5.794 3.795 1.00 0.00 N ATOM 269 CA ALA A 20 -8.170 6.045 2.576 1.00 0.00 C ATOM 270 C ALA A 20 -9.045 4.872 2.265 1.00 0.00 C ATOM 271 O ALA A 20 -10.245 4.988 2.026 1.00 0.00 O ATOM 272 CB ALA A 20 -7.216 6.226 1.421 1.00 0.00 C ATOM 0 H ALA A 20 -6.419 5.748 3.675 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.769 6.945 2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.781 6.414 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.558 7.072 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.618 5.323 1.298 1.00 0.00 H new ATOM 278 N LEU A 21 -8.395 3.742 2.265 1.00 0.00 N ATOM 279 CA LEU A 21 -9.011 2.493 1.990 1.00 0.00 C ATOM 280 C LEU A 21 -10.160 2.248 2.930 1.00 0.00 C ATOM 281 O LEU A 21 -11.235 1.819 2.522 1.00 0.00 O ATOM 282 CB LEU A 21 -7.954 1.444 2.129 1.00 0.00 C ATOM 283 CG LEU A 21 -7.808 0.541 0.953 1.00 0.00 C ATOM 284 CD1 LEU A 21 -8.835 0.876 -0.067 1.00 0.00 C ATOM 285 CD2 LEU A 21 -6.447 0.675 0.358 1.00 0.00 C ATOM 0 H LEU A 21 -7.397 3.672 2.462 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.428 2.476 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.998 1.934 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.176 0.839 3.008 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.946 -0.488 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.725 0.213 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.829 0.751 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.706 1.910 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.358 0.008 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.291 1.704 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.697 0.410 1.103 1.00 0.00 H new ATOM 297 N GLU A 22 -9.924 2.556 4.185 1.00 0.00 N ATOM 298 CA GLU A 22 -10.938 2.413 5.199 1.00 0.00 C ATOM 299 C GLU A 22 -12.216 3.044 4.706 1.00 0.00 C ATOM 300 O GLU A 22 -13.319 2.587 5.005 1.00 0.00 O ATOM 301 CB GLU A 22 -10.493 3.065 6.508 1.00 0.00 C ATOM 302 CG GLU A 22 -9.426 2.280 7.254 1.00 0.00 C ATOM 303 CD GLU A 22 -8.979 2.968 8.530 1.00 0.00 C ATOM 304 OE1 GLU A 22 -9.457 4.089 8.801 1.00 0.00 O ATOM 305 OE2 GLU A 22 -8.146 2.387 9.256 1.00 0.00 O ATOM 0 H GLU A 22 -9.031 2.910 4.528 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.103 1.353 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.113 4.064 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.361 3.186 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.812 1.290 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.564 2.136 6.602 1.00 0.00 H new ATOM 312 N ALA A 23 -12.040 4.083 3.914 1.00 0.00 N ATOM 313 CA ALA A 23 -13.157 4.779 3.326 1.00 0.00 C ATOM 314 C ALA A 23 -13.731 3.941 2.200 1.00 0.00 C ATOM 315 O ALA A 23 -14.939 3.735 2.119 1.00 0.00 O ATOM 316 CB ALA A 23 -12.724 6.140 2.808 1.00 0.00 C ATOM 0 H ALA A 23 -11.127 4.462 3.664 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.923 4.936 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.580 6.651 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.331 6.735 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.950 6.012 2.052 1.00 0.00 H new ATOM 322 N LEU A 24 -12.840 3.448 1.340 1.00 0.00 N ATOM 323 CA LEU A 24 -13.243 2.614 0.214 1.00 0.00 C ATOM 324 C LEU A 24 -13.441 1.163 0.613 1.00 0.00 C ATOM 325 O LEU A 24 -13.503 0.286 -0.245 1.00 0.00 O ATOM 326 CB LEU A 24 -12.245 2.694 -0.927 1.00 0.00 C ATOM 327 CG LEU A 24 -12.426 3.916 -1.802 1.00 0.00 C ATOM 328 CD1 LEU A 24 -11.723 5.084 -1.174 1.00 0.00 C ATOM 329 CD2 LEU A 24 -11.928 3.666 -3.202 1.00 0.00 C ATOM 0 H LEU A 24 -11.835 3.613 1.404 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.201 3.009 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.235 2.697 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.336 1.799 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.490 4.142 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.851 5.966 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.146 5.276 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.661 4.860 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.072 4.563 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.868 3.416 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.484 2.839 -3.643 1.00 0.00 H new ATOM 341 N SER A 25 -13.517 0.919 1.911 1.00 0.00 N ATOM 342 CA SER A 25 -13.686 -0.431 2.439 1.00 0.00 C ATOM 343 C SER A 25 -14.777 -1.198 1.699 1.00 0.00 C ATOM 344 O SER A 25 -15.925 -1.255 2.142 1.00 0.00 O ATOM 345 CB SER A 25 -14.005 -0.375 3.930 1.00 0.00 C ATOM 346 OG SER A 25 -15.177 0.381 4.176 1.00 0.00 O ATOM 0 H SER A 25 -13.464 1.644 2.627 1.00 0.00 H new ATOM 0 HA SER A 25 -12.747 -0.964 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.134 -1.387 4.315 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.165 0.066 4.468 1.00 0.00 H new ATOM 0 HG SER A 25 -15.911 0.035 3.626 1.00 0.00 H new ATOM 352 N ALA A 26 -14.399 -1.793 0.573 1.00 0.00 N ATOM 353 CA ALA A 26 -15.325 -2.572 -0.241 1.00 0.00 C ATOM 354 C ALA A 26 -16.568 -1.770 -0.587 1.00 0.00 C ATOM 355 O ALA A 26 -17.675 -2.303 -0.678 1.00 0.00 O ATOM 356 CB ALA A 26 -15.718 -3.817 0.501 1.00 0.00 C ATOM 0 H ALA A 26 -13.450 -1.750 0.201 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.823 -2.835 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.410 -4.400 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.829 -4.412 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.201 -3.544 1.440 1.00 0.00 H new ATOM 362 N GLU A 27 -16.364 -0.488 -0.754 1.00 0.00 N ATOM 363 CA GLU A 27 -17.433 0.448 -1.068 1.00 0.00 C ATOM 364 C GLU A 27 -18.155 0.118 -2.365 1.00 0.00 C ATOM 365 O GLU A 27 -19.370 0.295 -2.465 1.00 0.00 O ATOM 366 CB GLU A 27 -16.859 1.854 -1.120 1.00 0.00 C ATOM 367 CG GLU A 27 -16.544 2.386 0.260 1.00 0.00 C ATOM 368 CD GLU A 27 -17.785 2.776 1.039 1.00 0.00 C ATOM 369 OE1 GLU A 27 -18.658 1.906 1.242 1.00 0.00 O ATOM 370 OE2 GLU A 27 -17.881 3.950 1.452 1.00 0.00 O ATOM 0 H GLU A 27 -15.445 -0.053 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 27 -18.182 0.372 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.952 1.854 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.570 2.518 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.993 1.629 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.891 3.254 0.169 1.00 0.00 H new ATOM 377 N ASP A 28 -17.418 -0.340 -3.365 1.00 0.00 N ATOM 378 CA ASP A 28 -18.026 -0.658 -4.646 1.00 0.00 C ATOM 379 C ASP A 28 -17.128 -1.539 -5.484 1.00 0.00 C ATOM 380 O ASP A 28 -16.837 -1.242 -6.643 1.00 0.00 O ATOM 381 CB ASP A 28 -18.318 0.629 -5.385 1.00 0.00 C ATOM 382 CG ASP A 28 -19.407 0.474 -6.430 1.00 0.00 C ATOM 383 OD1 ASP A 28 -20.537 0.097 -6.058 1.00 0.00 O ATOM 384 OD2 ASP A 28 -19.128 0.732 -7.621 1.00 0.00 O ATOM 0 H ASP A 28 -16.412 -0.498 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.950 -1.207 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.615 1.395 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.406 0.981 -5.867 1.00 0.00 H new ATOM 389 N GLY A 29 -16.697 -2.618 -4.879 1.00 0.00 N ATOM 390 CA GLY A 29 -15.831 -3.547 -5.557 1.00 0.00 C ATOM 391 C GLY A 29 -14.543 -2.892 -5.976 1.00 0.00 C ATOM 392 O GLY A 29 -14.134 -2.991 -7.134 1.00 0.00 O ATOM 0 H GLY A 29 -16.932 -2.873 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.615 -4.391 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.340 -3.947 -6.434 1.00 0.00 H new ATOM 396 N HIS A 30 -13.909 -2.204 -5.033 1.00 0.00 N ATOM 397 CA HIS A 30 -12.662 -1.518 -5.309 1.00 0.00 C ATOM 398 C HIS A 30 -11.498 -2.496 -5.406 1.00 0.00 C ATOM 399 O HIS A 30 -10.421 -2.254 -4.863 1.00 0.00 O ATOM 400 CB HIS A 30 -12.383 -0.436 -4.261 1.00 0.00 C ATOM 401 CG HIS A 30 -13.303 0.743 -4.387 1.00 0.00 C ATOM 402 ND1 HIS A 30 -14.233 1.255 -3.541 1.00 0.00 N flip ATOM 403 CD2 HIS A 30 -13.338 1.540 -5.511 1.00 0.00 C flip ATOM 404 CE1 HIS A 30 -14.801 2.337 -4.168 1.00 0.00 C flip ATOM 405 NE2 HIS A 30 -14.243 2.488 -5.353 1.00 0.00 N flip ATOM 0 H HIS A 30 -14.241 -2.109 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.765 -1.029 -6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.485 -0.866 -3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.351 -0.099 -4.359 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.720 1.409 -6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -15.579 2.963 -3.757 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -14.472 3.214 -6.032 1.00 0.00 H new ATOM 414 N ASP A 31 -11.721 -3.595 -6.121 1.00 0.00 N ATOM 415 CA ASP A 31 -10.691 -4.606 -6.320 1.00 0.00 C ATOM 416 C ASP A 31 -9.463 -3.977 -6.966 1.00 0.00 C ATOM 417 O ASP A 31 -8.361 -4.522 -6.897 1.00 0.00 O ATOM 418 CB ASP A 31 -11.224 -5.737 -7.201 1.00 0.00 C ATOM 419 CG ASP A 31 -12.407 -6.451 -6.580 1.00 0.00 C ATOM 420 OD1 ASP A 31 -12.244 -7.026 -5.484 1.00 0.00 O ATOM 421 OD2 ASP A 31 -13.496 -6.437 -7.191 1.00 0.00 O ATOM 0 H ASP A 31 -12.610 -3.807 -6.573 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.411 -5.018 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.517 -5.331 -8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.426 -6.456 -7.385 1.00 0.00 H new ATOM 426 N ASP A 32 -9.668 -2.818 -7.583 1.00 0.00 N ATOM 427 CA ASP A 32 -8.590 -2.089 -8.236 1.00 0.00 C ATOM 428 C ASP A 32 -7.579 -1.657 -7.209 1.00 0.00 C ATOM 429 O ASP A 32 -6.378 -1.596 -7.474 1.00 0.00 O ATOM 430 CB ASP A 32 -9.142 -0.875 -8.990 1.00 0.00 C ATOM 431 CG ASP A 32 -8.060 -0.095 -9.715 1.00 0.00 C ATOM 432 OD1 ASP A 32 -7.152 0.432 -9.039 1.00 0.00 O ATOM 433 OD2 ASP A 32 -8.124 -0.010 -10.959 1.00 0.00 O ATOM 0 H ASP A 32 -10.578 -2.362 -7.644 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.105 -2.744 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.889 -1.209 -9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.650 -0.216 -8.286 1.00 0.00 H new ATOM 438 N VAL A 33 -8.082 -1.362 -6.033 1.00 0.00 N ATOM 439 CA VAL A 33 -7.256 -0.937 -4.942 1.00 0.00 C ATOM 440 C VAL A 33 -6.295 -2.035 -4.518 1.00 0.00 C ATOM 441 O VAL A 33 -5.102 -1.796 -4.360 1.00 0.00 O ATOM 442 CB VAL A 33 -8.123 -0.544 -3.758 1.00 0.00 C ATOM 443 CG1 VAL A 33 -7.260 -0.050 -2.615 1.00 0.00 C ATOM 444 CG2 VAL A 33 -9.132 0.502 -4.190 1.00 0.00 C ATOM 0 H VAL A 33 -9.077 -1.412 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.675 -0.078 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.670 -1.417 -3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.895 0.228 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.576 -0.841 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.688 0.819 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.753 0.782 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.607 1.382 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.763 0.095 -4.980 1.00 0.00 H new ATOM 454 N GLY A 34 -6.825 -3.241 -4.344 1.00 0.00 N ATOM 455 CA GLY A 34 -5.997 -4.365 -3.952 1.00 0.00 C ATOM 456 C GLY A 34 -4.953 -4.665 -4.988 1.00 0.00 C ATOM 457 O GLY A 34 -3.831 -5.026 -4.662 1.00 0.00 O ATOM 0 H GLY A 34 -7.814 -3.460 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.514 -4.148 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.623 -5.244 -3.799 1.00 0.00 H new ATOM 461 N GLN A 35 -5.330 -4.500 -6.244 1.00 0.00 N ATOM 462 CA GLN A 35 -4.420 -4.732 -7.345 1.00 0.00 C ATOM 463 C GLN A 35 -3.233 -3.796 -7.230 1.00 0.00 C ATOM 464 O GLN A 35 -2.090 -4.175 -7.485 1.00 0.00 O ATOM 465 CB GLN A 35 -5.152 -4.519 -8.663 1.00 0.00 C ATOM 466 CG GLN A 35 -6.037 -5.683 -9.079 1.00 0.00 C ATOM 467 CD GLN A 35 -5.250 -6.949 -9.360 1.00 0.00 C ATOM 468 OE1 GLN A 35 -4.296 -6.938 -10.136 1.00 0.00 O ATOM 469 NE2 GLN A 35 -5.656 -8.051 -8.745 1.00 0.00 N ATOM 0 H GLN A 35 -6.265 -4.205 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.055 -5.758 -7.313 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.765 -3.621 -8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.418 -4.336 -9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.764 -5.880 -8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.600 -5.405 -9.970 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.452 -8.016 -8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.172 -8.934 -8.908 1.00 0.00 H new ATOM 478 N ARG A 36 -3.523 -2.579 -6.806 1.00 0.00 N ATOM 479 CA ARG A 36 -2.521 -1.574 -6.603 1.00 0.00 C ATOM 480 C ARG A 36 -1.711 -1.935 -5.377 1.00 0.00 C ATOM 481 O ARG A 36 -0.483 -1.954 -5.394 1.00 0.00 O ATOM 482 CB ARG A 36 -3.216 -0.236 -6.404 1.00 0.00 C ATOM 483 CG ARG A 36 -3.952 0.245 -7.632 1.00 0.00 C ATOM 484 CD ARG A 36 -2.992 0.947 -8.553 1.00 0.00 C ATOM 485 NE ARG A 36 -3.589 1.281 -9.847 1.00 0.00 N ATOM 486 CZ ARG A 36 -4.625 2.099 -10.002 1.00 0.00 C ATOM 487 NH1 ARG A 36 -5.178 2.686 -8.950 1.00 0.00 N ATOM 488 NH2 ARG A 36 -5.109 2.334 -11.214 1.00 0.00 N ATOM 0 H ARG A 36 -4.471 -2.268 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.854 -1.510 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.921 -0.320 -5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.476 0.511 -6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.413 -0.599 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.757 0.922 -7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.639 1.860 -8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.120 0.313 -8.713 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.184 0.859 -10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.809 2.511 -8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.973 3.313 -9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.686 1.887 -12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.904 2.962 -11.333 1.00 0.00 H new ATOM 502 N LEU A 37 -2.445 -2.245 -4.323 1.00 0.00 N ATOM 503 CA LEU A 37 -1.914 -2.637 -3.059 1.00 0.00 C ATOM 504 C LEU A 37 -0.956 -3.804 -3.170 1.00 0.00 C ATOM 505 O LEU A 37 0.110 -3.812 -2.554 1.00 0.00 O ATOM 506 CB LEU A 37 -3.098 -3.006 -2.208 1.00 0.00 C ATOM 507 CG LEU A 37 -3.591 -1.884 -1.361 1.00 0.00 C ATOM 508 CD1 LEU A 37 -4.861 -2.249 -0.615 1.00 0.00 C ATOM 509 CD2 LEU A 37 -2.498 -1.461 -0.397 1.00 0.00 C ATOM 0 H LEU A 37 -3.465 -2.225 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.335 -1.822 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.908 -3.347 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.827 -3.844 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.842 -1.048 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.184 -1.402 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.643 -2.503 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.669 -3.105 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.858 -0.640 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.227 -2.304 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.623 -1.135 -0.959 1.00 0.00 H new ATOM 521 N GLU A 38 -1.353 -4.793 -3.945 1.00 0.00 N ATOM 522 CA GLU A 38 -0.546 -5.974 -4.128 1.00 0.00 C ATOM 523 C GLU A 38 0.696 -5.634 -4.907 1.00 0.00 C ATOM 524 O GLU A 38 1.815 -5.902 -4.478 1.00 0.00 O ATOM 525 CB GLU A 38 -1.345 -7.039 -4.862 1.00 0.00 C ATOM 526 CG GLU A 38 -0.763 -8.436 -4.722 1.00 0.00 C ATOM 527 CD GLU A 38 -1.353 -9.419 -5.711 1.00 0.00 C ATOM 528 OE1 GLU A 38 -2.201 -9.004 -6.528 1.00 0.00 O ATOM 529 OE2 GLU A 38 -0.964 -10.605 -5.672 1.00 0.00 O ATOM 0 H GLU A 38 -2.234 -4.798 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.255 -6.359 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.367 -7.040 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.396 -6.779 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.317 -8.390 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.938 -8.798 -3.709 1.00 0.00 H new ATOM 536 N SER A 39 0.472 -5.024 -6.046 1.00 0.00 N ATOM 537 CA SER A 39 1.558 -4.600 -6.920 1.00 0.00 C ATOM 538 C SER A 39 2.634 -3.920 -6.093 1.00 0.00 C ATOM 539 O SER A 39 3.819 -4.198 -6.239 1.00 0.00 O ATOM 540 CB SER A 39 1.037 -3.632 -7.980 1.00 0.00 C ATOM 541 OG SER A 39 2.034 -3.339 -8.942 1.00 0.00 O ATOM 0 H SER A 39 -0.460 -4.805 -6.399 1.00 0.00 H new ATOM 0 HA SER A 39 1.976 -5.475 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.167 -4.064 -8.474 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.707 -2.709 -7.503 1.00 0.00 H new ATOM 0 HG SER A 39 1.673 -2.719 -9.609 1.00 0.00 H new ATOM 547 N LEU A 40 2.194 -3.044 -5.205 1.00 0.00 N ATOM 548 CA LEU A 40 3.077 -2.326 -4.325 1.00 0.00 C ATOM 549 C LEU A 40 4.040 -3.270 -3.638 1.00 0.00 C ATOM 550 O LEU A 40 5.257 -3.090 -3.698 1.00 0.00 O ATOM 551 CB LEU A 40 2.247 -1.611 -3.275 1.00 0.00 C ATOM 552 CG LEU A 40 1.383 -0.470 -3.792 1.00 0.00 C ATOM 553 CD1 LEU A 40 0.381 -0.059 -2.732 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.249 0.705 -4.209 1.00 0.00 C ATOM 0 H LEU A 40 1.208 -2.816 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 40 3.653 -1.610 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.601 -2.341 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.918 -1.219 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 40 0.835 -0.810 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.234 0.758 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.256 -0.908 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.911 0.269 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.615 1.512 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.823 1.056 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.931 0.392 -4.999 1.00 0.00 H new ATOM 566 N LEU A 41 3.484 -4.269 -2.971 1.00 0.00 N ATOM 567 CA LEU A 41 4.288 -5.237 -2.252 1.00 0.00 C ATOM 568 C LEU A 41 5.009 -6.201 -3.161 1.00 0.00 C ATOM 569 O LEU A 41 6.216 -6.357 -3.070 1.00 0.00 O ATOM 570 CB LEU A 41 3.430 -6.022 -1.318 1.00 0.00 C ATOM 571 CG LEU A 41 3.427 -5.526 0.120 1.00 0.00 C ATOM 572 CD1 LEU A 41 2.622 -6.470 0.985 1.00 0.00 C ATOM 573 CD2 LEU A 41 4.844 -5.413 0.655 1.00 0.00 C ATOM 0 H LEU A 41 2.478 -4.428 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 41 5.039 -4.664 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.406 -6.011 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.762 -7.060 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 41 2.972 -4.536 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.623 -6.111 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.597 -6.516 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.065 -7.465 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.817 -5.057 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.324 -6.391 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.409 -4.710 0.043 1.00 0.00 H new ATOM 585 N ARG A 42 4.270 -6.875 -4.020 1.00 0.00 N ATOM 586 CA ARG A 42 4.881 -7.836 -4.912 1.00 0.00 C ATOM 587 C ARG A 42 6.112 -7.218 -5.546 1.00 0.00 C ATOM 588 O ARG A 42 7.073 -7.909 -5.880 1.00 0.00 O ATOM 589 CB ARG A 42 3.890 -8.294 -5.986 1.00 0.00 C ATOM 590 CG ARG A 42 4.471 -9.287 -6.980 1.00 0.00 C ATOM 591 CD ARG A 42 4.811 -10.609 -6.313 1.00 0.00 C ATOM 592 NE ARG A 42 3.634 -11.237 -5.718 1.00 0.00 N ATOM 593 CZ ARG A 42 3.662 -12.404 -5.082 1.00 0.00 C ATOM 594 NH1 ARG A 42 4.802 -13.068 -4.958 1.00 0.00 N ATOM 595 NH2 ARG A 42 2.547 -12.905 -4.569 1.00 0.00 N ATOM 0 H ARG A 42 3.260 -6.776 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 42 5.174 -8.716 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.026 -8.746 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.529 -7.421 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.756 -9.458 -7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.368 -8.866 -7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.250 -11.284 -7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.563 -10.444 -5.542 1.00 0.00 H new ATOM 0 HE ARG A 42 2.740 -10.752 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.661 -12.684 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.820 -13.963 -4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.669 -12.395 -4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.568 -13.800 -4.081 1.00 0.00 H new ATOM 609 N ARG A 43 6.083 -5.899 -5.662 1.00 0.00 N ATOM 610 CA ARG A 43 7.201 -5.162 -6.200 1.00 0.00 C ATOM 611 C ARG A 43 8.153 -4.807 -5.068 1.00 0.00 C ATOM 612 O ARG A 43 9.369 -4.802 -5.238 1.00 0.00 O ATOM 613 CB ARG A 43 6.741 -3.898 -6.933 1.00 0.00 C ATOM 614 CG ARG A 43 5.841 -4.171 -8.131 1.00 0.00 C ATOM 615 CD ARG A 43 6.469 -5.158 -9.099 1.00 0.00 C ATOM 616 NE ARG A 43 5.662 -5.337 -10.302 1.00 0.00 N ATOM 617 CZ ARG A 43 6.005 -6.134 -11.309 1.00 0.00 C ATOM 618 NH1 ARG A 43 7.141 -6.818 -11.261 1.00 0.00 N ATOM 619 NH2 ARG A 43 5.213 -6.249 -12.367 1.00 0.00 N ATOM 0 H ARG A 43 5.289 -5.320 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 43 7.714 -5.788 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.209 -3.256 -6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.618 -3.345 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.884 -4.561 -7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.634 -3.235 -8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.463 -4.808 -9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.597 -6.120 -8.603 1.00 0.00 H new ATOM 0 HE ARG A 43 4.785 -4.821 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.754 -6.733 -10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.402 -7.429 -12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.339 -5.725 -12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.478 -6.861 -13.139 1.00 0.00 H new ATOM 633 N TRP A 44 7.574 -4.531 -3.901 1.00 0.00 N ATOM 634 CA TRP A 44 8.334 -4.196 -2.719 1.00 0.00 C ATOM 635 C TRP A 44 9.131 -5.400 -2.233 1.00 0.00 C ATOM 636 O TRP A 44 10.358 -5.355 -2.142 1.00 0.00 O ATOM 637 CB TRP A 44 7.380 -3.746 -1.629 1.00 0.00 C ATOM 638 CG TRP A 44 8.073 -3.380 -0.368 1.00 0.00 C ATOM 639 CD1 TRP A 44 7.845 -3.933 0.838 1.00 0.00 C ATOM 640 CD2 TRP A 44 9.094 -2.395 -0.182 1.00 0.00 C ATOM 641 NE1 TRP A 44 8.631 -3.336 1.793 1.00 0.00 N ATOM 642 CE2 TRP A 44 9.414 -2.391 1.185 1.00 0.00 C ATOM 643 CE3 TRP A 44 9.765 -1.507 -1.028 1.00 0.00 C ATOM 644 CZ2 TRP A 44 10.368 -1.536 1.720 1.00 0.00 C ATOM 645 CZ3 TRP A 44 10.707 -0.661 -0.477 1.00 0.00 C ATOM 646 CH2 TRP A 44 10.996 -0.680 0.869 1.00 0.00 C ATOM 0 H TRP A 44 6.564 -4.536 -3.758 1.00 0.00 H new ATOM 0 HA TRP A 44 9.032 -3.395 -2.961 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.808 -2.889 -1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.666 -4.544 -1.426 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.144 -4.732 1.028 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.632 -3.559 2.788 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.552 -1.483 -2.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.603 -1.550 2.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 11.230 0.033 -1.118 1.00 0.00 H new ATOM 0 HH2 TRP A 44 11.739 0.001 1.259 1.00 0.00 H new ATOM 657 N ASN A 45 8.415 -6.477 -1.921 1.00 0.00 N ATOM 658 CA ASN A 45 9.026 -7.703 -1.443 1.00 0.00 C ATOM 659 C ASN A 45 10.048 -8.249 -2.429 1.00 0.00 C ATOM 660 O ASN A 45 11.058 -8.835 -2.039 1.00 0.00 O ATOM 661 CB ASN A 45 7.929 -8.727 -1.177 1.00 0.00 C ATOM 662 CG ASN A 45 7.144 -8.424 0.071 1.00 0.00 C ATOM 663 OD1 ASN A 45 5.886 -8.055 -0.114 1.00 0.00 O flip ATOM 664 ND2 ASN A 45 7.662 -8.500 1.185 1.00 0.00 N flip ATOM 0 H ASN A 45 7.398 -6.519 -1.994 1.00 0.00 H new ATOM 0 HA ASN A 45 9.565 -7.490 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.251 -8.757 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.375 -9.718 -1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.636 -8.789 1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.117 -8.274 2.017 1.00 0.00 H new ATOM 671 N SER A 46 9.772 -8.054 -3.702 1.00 0.00 N ATOM 672 CA SER A 46 10.655 -8.525 -4.763 1.00 0.00 C ATOM 673 C SER A 46 11.970 -7.758 -4.782 1.00 0.00 C ATOM 674 O SER A 46 13.044 -8.353 -4.879 1.00 0.00 O ATOM 675 CB SER A 46 9.970 -8.387 -6.118 1.00 0.00 C ATOM 676 OG SER A 46 10.806 -8.846 -7.165 1.00 0.00 O ATOM 0 H SER A 46 8.938 -7.570 -4.034 1.00 0.00 H new ATOM 0 HA SER A 46 10.873 -9.574 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.039 -8.955 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.707 -7.343 -6.291 1.00 0.00 H new ATOM 0 HG SER A 46 10.341 -8.747 -8.022 1.00 0.00 H new ATOM 682 N ARG A 47 11.882 -6.435 -4.694 1.00 0.00 N ATOM 683 CA ARG A 47 13.069 -5.593 -4.708 1.00 0.00 C ATOM 684 C ARG A 47 13.982 -5.935 -3.547 1.00 0.00 C ATOM 685 O ARG A 47 15.205 -5.916 -3.679 1.00 0.00 O ATOM 686 CB ARG A 47 12.673 -4.124 -4.659 1.00 0.00 C ATOM 687 CG ARG A 47 11.941 -3.663 -5.905 1.00 0.00 C ATOM 688 CD ARG A 47 11.332 -2.294 -5.700 1.00 0.00 C ATOM 689 NE ARG A 47 10.658 -1.798 -6.899 1.00 0.00 N ATOM 690 CZ ARG A 47 11.276 -1.559 -8.052 1.00 0.00 C ATOM 691 NH1 ARG A 47 12.584 -1.757 -8.165 1.00 0.00 N ATOM 692 NH2 ARG A 47 10.588 -1.117 -9.095 1.00 0.00 N ATOM 0 H ARG A 47 11.002 -5.925 -4.612 1.00 0.00 H new ATOM 0 HA ARG A 47 13.612 -5.778 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.039 -3.954 -3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.568 -3.517 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.632 -3.635 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.159 -4.379 -6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.619 -2.336 -4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.113 -1.592 -5.409 1.00 0.00 H new ATOM 0 HE ARG A 47 9.654 -1.625 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.120 -2.094 -7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.053 -1.572 -9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.583 -0.960 -9.014 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.063 -0.934 -9.979 1.00 0.00 H new ATOM 706 N ARG A 48 13.379 -6.266 -2.415 1.00 0.00 N ATOM 707 CA ARG A 48 14.143 -6.636 -1.237 1.00 0.00 C ATOM 708 C ARG A 48 15.051 -7.806 -1.570 1.00 0.00 C ATOM 709 O ARG A 48 16.268 -7.746 -1.392 1.00 0.00 O ATOM 710 CB ARG A 48 13.204 -7.023 -0.101 1.00 0.00 C ATOM 711 CG ARG A 48 12.323 -5.886 0.385 1.00 0.00 C ATOM 712 CD ARG A 48 11.631 -6.251 1.685 1.00 0.00 C ATOM 713 NE ARG A 48 12.592 -6.519 2.753 1.00 0.00 N ATOM 714 CZ ARG A 48 13.465 -5.621 3.206 1.00 0.00 C ATOM 715 NH1 ARG A 48 13.470 -4.387 2.720 1.00 0.00 N ATOM 716 NH2 ARG A 48 14.330 -5.957 4.153 1.00 0.00 N ATOM 0 H ARG A 48 12.367 -6.286 -2.289 1.00 0.00 H new ATOM 0 HA ARG A 48 14.745 -5.784 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.569 -7.845 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 48 13.796 -7.394 0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.927 -4.990 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.577 -5.649 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.970 -5.438 1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.005 -7.130 1.530 1.00 0.00 H new ATOM 0 HE ARG A 48 12.594 -7.447 3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.803 -4.122 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.141 -3.703 3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.327 -6.903 4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.999 -5.269 4.500 1.00 0.00 H new ATOM 730 N ALA A 49 14.433 -8.865 -2.070 1.00 0.00 N ATOM 731 CA ALA A 49 15.152 -10.071 -2.458 1.00 0.00 C ATOM 732 C ALA A 49 16.194 -9.767 -3.523 1.00 0.00 C ATOM 733 O ALA A 49 17.283 -10.343 -3.529 1.00 0.00 O ATOM 734 CB ALA A 49 14.174 -11.125 -2.957 1.00 0.00 C ATOM 0 H ALA A 49 13.425 -8.914 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 49 15.671 -10.457 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.722 -12.022 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.467 -11.370 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.632 -10.739 -3.820 1.00 0.00 H new ATOM 740 N ASP A 50 15.846 -8.855 -4.417 1.00 0.00 N ATOM 741 CA ASP A 50 16.732 -8.447 -5.500 1.00 0.00 C ATOM 742 C ASP A 50 17.339 -9.660 -6.206 1.00 0.00 C ATOM 743 O ASP A 50 18.505 -9.643 -6.602 1.00 0.00 O ATOM 744 CB ASP A 50 17.836 -7.544 -4.952 1.00 0.00 C ATOM 745 CG ASP A 50 18.692 -6.936 -6.047 1.00 0.00 C ATOM 746 OD1 ASP A 50 18.148 -6.170 -6.869 1.00 0.00 O ATOM 747 OD2 ASP A 50 19.905 -7.228 -6.083 1.00 0.00 O ATOM 0 H ASP A 50 14.945 -8.377 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 50 16.145 -7.894 -6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 50 17.387 -6.745 -4.362 1.00 0.00 H new ATOM 0 HB3 ASP A 50 18.470 -8.120 -4.278 1.00 0.00 H new ATOM 752 N ALA A 51 16.537 -10.713 -6.360 1.00 0.00 N ATOM 753 CA ALA A 51 16.989 -11.935 -7.017 1.00 0.00 C ATOM 754 C ALA A 51 15.859 -12.959 -7.111 1.00 0.00 C ATOM 755 O ALA A 51 15.161 -13.212 -6.129 1.00 0.00 O ATOM 756 CB ALA A 51 18.172 -12.530 -6.267 1.00 0.00 C ATOM 0 H ALA A 51 15.570 -10.743 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 51 17.301 -11.678 -8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 51 18.499 -13.441 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 51 18.991 -11.811 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.874 -12.765 -5.245 1.00 0.00 H new ATOM 762 N PRO A 52 15.664 -13.563 -8.297 1.00 0.00 N ATOM 763 CA PRO A 52 14.612 -14.564 -8.508 1.00 0.00 C ATOM 764 C PRO A 52 14.816 -15.802 -7.641 1.00 0.00 C ATOM 765 O PRO A 52 15.906 -16.372 -7.606 1.00 0.00 O ATOM 766 CB PRO A 52 14.742 -14.928 -9.993 1.00 0.00 C ATOM 767 CG PRO A 52 15.532 -13.821 -10.602 1.00 0.00 C ATOM 768 CD PRO A 52 16.446 -13.324 -9.520 1.00 0.00 C ATOM 0 HA PRO A 52 13.629 -14.178 -8.239 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.245 -15.886 -10.120 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.763 -15.017 -10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.101 -14.174 -11.462 1.00 0.00 H new ATOM 0 HG3 PRO A 52 14.878 -13.024 -10.958 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.391 -13.867 -9.508 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.686 -12.268 -9.647 1.00 0.00 H new ATOM 776 N SER A 53 13.758 -16.213 -6.945 1.00 0.00 N ATOM 777 CA SER A 53 13.818 -17.385 -6.077 1.00 0.00 C ATOM 778 C SER A 53 12.450 -17.671 -5.457 1.00 0.00 C ATOM 779 O SER A 53 11.420 -17.544 -6.122 1.00 0.00 O ATOM 780 CB SER A 53 14.863 -17.178 -4.978 1.00 0.00 C ATOM 781 OG SER A 53 14.548 -16.050 -4.179 1.00 0.00 O ATOM 0 H SER A 53 12.849 -15.751 -6.966 1.00 0.00 H new ATOM 0 HA SER A 53 14.108 -18.244 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.917 -18.068 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 53 15.847 -17.045 -5.428 1.00 0.00 H new ATOM 0 HG SER A 53 15.230 -15.941 -3.484 1.00 0.00 H new ATOM 787 N THR A 54 12.445 -18.057 -4.181 1.00 0.00 N ATOM 788 CA THR A 54 11.205 -18.359 -3.475 1.00 0.00 C ATOM 789 C THR A 54 11.476 -18.668 -2.005 1.00 0.00 C ATOM 790 O THR A 54 12.416 -19.391 -1.677 1.00 0.00 O ATOM 791 CB THR A 54 10.467 -19.552 -4.112 1.00 0.00 C ATOM 792 OG1 THR A 54 9.275 -19.844 -3.372 1.00 0.00 O ATOM 793 CG2 THR A 54 11.358 -20.784 -4.154 1.00 0.00 C ATOM 0 H THR A 54 13.288 -18.167 -3.617 1.00 0.00 H new ATOM 0 HA THR A 54 10.574 -17.474 -3.550 1.00 0.00 H new ATOM 0 HB THR A 54 10.203 -19.281 -5.134 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.811 -20.602 -3.785 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.813 -21.612 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.249 -20.569 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.651 -21.056 -3.140 1.00 0.00 H new ATOM 801 N SER A 55 10.648 -18.114 -1.126 1.00 0.00 N ATOM 802 CA SER A 55 10.801 -18.330 0.308 1.00 0.00 C ATOM 803 C SER A 55 10.674 -19.812 0.651 1.00 0.00 C ATOM 804 O SER A 55 9.729 -20.476 0.227 1.00 0.00 O ATOM 805 CB SER A 55 9.756 -17.524 1.081 1.00 0.00 C ATOM 806 OG SER A 55 9.888 -16.137 0.824 1.00 0.00 O ATOM 0 H SER A 55 9.865 -17.513 -1.381 1.00 0.00 H new ATOM 0 HA SER A 55 11.796 -17.992 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.756 -17.855 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.865 -17.711 2.149 1.00 0.00 H new ATOM 0 HG SER A 55 9.207 -15.645 1.329 1.00 0.00 H new ATOM 812 N ALA A 56 11.632 -20.319 1.423 1.00 0.00 N ATOM 813 CA ALA A 56 11.631 -21.721 1.826 1.00 0.00 C ATOM 814 C ALA A 56 12.789 -22.018 2.780 1.00 0.00 C ATOM 815 O ALA A 56 13.081 -21.225 3.676 1.00 0.00 O ATOM 816 CB ALA A 56 11.705 -22.621 0.599 1.00 0.00 C ATOM 0 H ALA A 56 12.419 -19.779 1.782 1.00 0.00 H new ATOM 0 HA ALA A 56 10.700 -21.924 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.704 -23.665 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.844 -22.434 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.621 -22.409 0.047 1.00 0.00 H new ATOM 822 N ILE A 57 13.444 -23.161 2.583 1.00 0.00 N ATOM 823 CA ILE A 57 14.566 -23.559 3.425 1.00 0.00 C ATOM 824 C ILE A 57 15.224 -24.832 2.898 1.00 0.00 C ATOM 825 O ILE A 57 14.540 -25.782 2.516 1.00 0.00 O ATOM 826 CB ILE A 57 14.130 -23.781 4.879 1.00 0.00 C ATOM 827 CG1 ILE A 57 15.343 -24.148 5.728 1.00 0.00 C ATOM 828 CG2 ILE A 57 13.065 -24.863 4.959 1.00 0.00 C ATOM 829 CD1 ILE A 57 15.183 -23.773 7.175 1.00 0.00 C ATOM 0 H ILE A 57 13.215 -23.827 1.846 1.00 0.00 H new ATOM 0 HA ILE A 57 15.287 -22.742 3.396 1.00 0.00 H new ATOM 0 HB ILE A 57 13.697 -22.858 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.520 -25.221 5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.225 -23.651 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.769 -25.006 5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.197 -24.563 4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.465 -25.797 4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.078 -24.060 7.726 1.00 0.00 H new ATOM 0 HD12 ILE A 57 15.035 -22.696 7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.319 -24.291 7.592 1.00 0.00 H new ATOM 841 N SER A 58 16.554 -24.843 2.880 1.00 0.00 N ATOM 842 CA SER A 58 17.304 -25.998 2.399 1.00 0.00 C ATOM 843 C SER A 58 18.799 -25.815 2.636 1.00 0.00 C ATOM 844 O SER A 58 19.480 -26.732 3.095 1.00 0.00 O ATOM 845 CB SER A 58 17.040 -26.221 0.908 1.00 0.00 C ATOM 846 OG SER A 58 17.759 -27.342 0.424 1.00 0.00 O ATOM 0 H SER A 58 17.134 -24.065 3.193 1.00 0.00 H new ATOM 0 HA SER A 58 16.969 -26.872 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.973 -26.371 0.743 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.327 -25.331 0.348 1.00 0.00 H new ATOM 0 HG SER A 58 17.572 -27.464 -0.530 1.00 0.00 H new ATOM 852 N GLU A 59 19.303 -24.626 2.320 1.00 0.00 N ATOM 853 CA GLU A 59 20.719 -24.322 2.499 1.00 0.00 C ATOM 854 C GLU A 59 20.998 -22.844 2.238 1.00 0.00 C ATOM 855 O GLU A 59 20.498 -22.270 1.270 1.00 0.00 O ATOM 856 CB GLU A 59 21.569 -25.184 1.568 1.00 0.00 C ATOM 857 CG GLU A 59 21.263 -24.962 0.101 1.00 0.00 C ATOM 858 CD GLU A 59 22.089 -25.845 -0.813 1.00 0.00 C ATOM 859 OE1 GLU A 59 23.333 -25.782 -0.733 1.00 0.00 O ATOM 860 OE2 GLU A 59 21.493 -26.597 -1.611 1.00 0.00 O ATOM 0 H GLU A 59 18.752 -23.857 1.939 1.00 0.00 H new ATOM 0 HA GLU A 59 20.983 -24.546 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 59 22.623 -24.972 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.410 -26.235 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.205 -25.152 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.446 -23.917 -0.149 1.00 0.00 H new ATOM 867 N ASP A 60 21.797 -22.237 3.111 1.00 0.00 N ATOM 868 CA ASP A 60 22.147 -20.825 2.981 1.00 0.00 C ATOM 869 C ASP A 60 20.897 -19.950 2.954 1.00 0.00 C ATOM 870 O ASP A 60 20.406 -19.654 1.846 1.00 0.00 O ATOM 871 CB ASP A 60 22.977 -20.597 1.716 1.00 0.00 C ATOM 872 CG ASP A 60 23.345 -19.139 1.519 1.00 0.00 C ATOM 873 OD1 ASP A 60 23.973 -18.558 2.427 1.00 0.00 O ATOM 874 OD2 ASP A 60 23.009 -18.581 0.455 1.00 0.00 O ATOM 875 OXT ASP A 60 20.420 -19.571 4.044 1.00 0.00 O ATOM 0 H ASP A 60 22.215 -22.701 3.917 1.00 0.00 H new ATOM 0 HA ASP A 60 22.741 -20.544 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 60 23.887 -21.194 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 60 22.417 -20.947 0.849 1.00 0.00 H new TER 880 ASP A 60 ATOM 881 N GLY B 1 3.586 16.442 5.794 1.00 0.00 N ATOM 882 CA GLY B 1 2.461 16.645 6.748 1.00 0.00 C ATOM 883 C GLY B 1 1.388 15.582 6.612 1.00 0.00 C ATOM 884 O GLY B 1 0.987 15.235 5.502 1.00 0.00 O ATOM 0 H1 GLY B 1 4.293 17.193 5.926 1.00 0.00 H new ATOM 0 H2 GLY B 1 4.027 15.517 5.969 1.00 0.00 H new ATOM 0 H3 GLY B 1 3.225 16.474 4.819 1.00 0.00 H new ATOM 0 HA2 GLY B 1 2.847 16.639 7.767 1.00 0.00 H new ATOM 0 HA3 GLY B 1 2.019 17.627 6.580 1.00 0.00 H new ATOM 890 N SER B 2 0.925 15.064 7.748 1.00 0.00 N ATOM 891 CA SER B 2 -0.108 14.033 7.755 1.00 0.00 C ATOM 892 C SER B 2 -1.492 14.640 7.532 1.00 0.00 C ATOM 893 O SER B 2 -2.457 14.269 8.200 1.00 0.00 O ATOM 894 CB SER B 2 -0.081 13.267 9.078 1.00 0.00 C ATOM 895 OG SER B 2 1.173 12.639 9.280 1.00 0.00 O ATOM 0 H SER B 2 1.249 15.342 8.674 1.00 0.00 H new ATOM 0 HA SER B 2 0.099 13.343 6.937 1.00 0.00 H new ATOM 0 HB2 SER B 2 -0.285 13.951 9.902 1.00 0.00 H new ATOM 0 HB3 SER B 2 -0.872 12.517 9.083 1.00 0.00 H new ATOM 0 HG SER B 2 1.164 12.158 10.134 1.00 0.00 H new ATOM 901 N ALA B 3 -1.582 15.573 6.588 1.00 0.00 N ATOM 902 CA ALA B 3 -2.847 16.228 6.278 1.00 0.00 C ATOM 903 C ALA B 3 -3.876 15.222 5.775 1.00 0.00 C ATOM 904 O ALA B 3 -3.561 14.351 4.963 1.00 0.00 O ATOM 905 CB ALA B 3 -2.633 17.325 5.246 1.00 0.00 C ATOM 0 H ALA B 3 -0.793 15.892 6.025 1.00 0.00 H new ATOM 0 HA ALA B 3 -3.231 16.675 7.195 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -3.585 17.806 5.023 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -1.936 18.065 5.640 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -2.224 16.891 4.334 1.00 0.00 H new ATOM 911 N ALA B 4 -5.107 15.348 6.261 1.00 0.00 N ATOM 912 CA ALA B 4 -6.182 14.450 5.858 1.00 0.00 C ATOM 913 C ALA B 4 -6.378 14.480 4.347 1.00 0.00 C ATOM 914 O ALA B 4 -6.399 15.550 3.736 1.00 0.00 O ATOM 915 CB ALA B 4 -7.475 14.819 6.569 1.00 0.00 C ATOM 0 H ALA B 4 -5.384 16.063 6.934 1.00 0.00 H new ATOM 0 HA ALA B 4 -5.904 13.436 6.144 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -8.268 14.139 6.258 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -7.333 14.741 7.647 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -7.752 15.842 6.313 1.00 0.00 H new ATOM 921 N SER B 5 -6.512 13.301 3.750 1.00 0.00 N ATOM 922 CA SER B 5 -6.699 13.189 2.307 1.00 0.00 C ATOM 923 C SER B 5 -7.043 11.752 1.909 1.00 0.00 C ATOM 924 O SER B 5 -6.381 11.160 1.056 1.00 0.00 O ATOM 925 CB SER B 5 -5.430 13.650 1.583 1.00 0.00 C ATOM 926 OG SER B 5 -5.574 13.555 0.180 1.00 0.00 O ATOM 0 H SER B 5 -6.495 12.408 4.243 1.00 0.00 H new ATOM 0 HA SER B 5 -7.532 13.828 2.015 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.206 14.681 1.858 1.00 0.00 H new ATOM 0 HB3 SER B 5 -4.584 13.043 1.906 1.00 0.00 H new ATOM 0 HG SER B 5 -4.804 13.080 -0.197 1.00 0.00 H new ATOM 932 N PRO B 6 -8.086 11.165 2.529 1.00 0.00 N ATOM 933 CA PRO B 6 -8.512 9.802 2.243 1.00 0.00 C ATOM 934 C PRO B 6 -9.529 9.724 1.107 1.00 0.00 C ATOM 935 O PRO B 6 -10.264 10.678 0.848 1.00 0.00 O ATOM 936 CB PRO B 6 -9.147 9.367 3.560 1.00 0.00 C ATOM 937 CG PRO B 6 -9.690 10.621 4.168 1.00 0.00 C ATOM 938 CD PRO B 6 -8.935 11.784 3.562 1.00 0.00 C ATOM 0 HA PRO B 6 -7.685 9.174 1.912 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -9.938 8.636 3.393 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -8.413 8.898 4.215 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -10.758 10.712 3.970 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -9.567 10.607 5.251 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.615 12.519 3.131 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -8.337 12.304 4.310 1.00 0.00 H new ATOM 946 N ALA B 7 -9.561 8.574 0.439 1.00 0.00 N ATOM 947 CA ALA B 7 -10.484 8.340 -0.669 1.00 0.00 C ATOM 948 C ALA B 7 -10.189 9.253 -1.853 1.00 0.00 C ATOM 949 O ALA B 7 -11.089 9.598 -2.620 1.00 0.00 O ATOM 950 CB ALA B 7 -11.923 8.512 -0.210 1.00 0.00 C ATOM 0 H ALA B 7 -8.952 7.783 0.648 1.00 0.00 H new ATOM 0 HA ALA B 7 -10.341 7.312 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -12.596 8.334 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -12.139 7.799 0.586 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -12.067 9.526 0.162 1.00 0.00 H new ATOM 956 N VAL B 8 -8.923 9.615 -2.015 1.00 0.00 N ATOM 957 CA VAL B 8 -8.506 10.458 -3.129 1.00 0.00 C ATOM 958 C VAL B 8 -8.368 9.604 -4.383 1.00 0.00 C ATOM 959 O VAL B 8 -7.265 9.382 -4.884 1.00 0.00 O ATOM 960 CB VAL B 8 -7.172 11.171 -2.827 1.00 0.00 C ATOM 961 CG1 VAL B 8 -6.715 12.001 -4.020 1.00 0.00 C ATOM 962 CG2 VAL B 8 -7.312 12.044 -1.593 1.00 0.00 C ATOM 0 H VAL B 8 -8.167 9.338 -1.389 1.00 0.00 H new ATOM 0 HA VAL B 8 -9.265 11.225 -3.284 1.00 0.00 H new ATOM 0 HB VAL B 8 -6.414 10.412 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -5.772 12.493 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -6.576 11.351 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -7.469 12.754 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -6.364 12.542 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.086 12.793 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.587 11.425 -0.739 1.00 0.00 H new ATOM 972 N ASP B 9 -9.501 9.084 -4.853 1.00 0.00 N ATOM 973 CA ASP B 9 -9.523 8.208 -6.017 1.00 0.00 C ATOM 974 C ASP B 9 -8.867 6.876 -5.672 1.00 0.00 C ATOM 975 O ASP B 9 -8.801 5.981 -6.507 1.00 0.00 O ATOM 976 CB ASP B 9 -8.813 8.860 -7.209 1.00 0.00 C ATOM 977 CG ASP B 9 -9.479 10.150 -7.648 1.00 0.00 C ATOM 978 OD1 ASP B 9 -10.494 10.537 -7.030 1.00 0.00 O ATOM 979 OD2 ASP B 9 -8.986 10.774 -8.612 1.00 0.00 O ATOM 0 H ASP B 9 -10.418 9.257 -4.441 1.00 0.00 H new ATOM 0 HA ASP B 9 -10.561 8.034 -6.300 1.00 0.00 H new ATOM 0 HB2 ASP B 9 -7.776 9.063 -6.943 1.00 0.00 H new ATOM 0 HB3 ASP B 9 -8.797 8.161 -8.045 1.00 0.00 H new ATOM 984 N ILE B 10 -8.398 6.779 -4.419 1.00 0.00 N ATOM 985 CA ILE B 10 -7.736 5.588 -3.876 1.00 0.00 C ATOM 986 C ILE B 10 -6.453 5.232 -4.643 1.00 0.00 C ATOM 987 O ILE B 10 -5.374 5.195 -4.057 1.00 0.00 O ATOM 988 CB ILE B 10 -8.694 4.373 -3.779 1.00 0.00 C ATOM 989 CG1 ILE B 10 -8.255 3.455 -2.635 1.00 0.00 C ATOM 990 CG2 ILE B 10 -8.775 3.594 -5.081 1.00 0.00 C ATOM 991 CD1 ILE B 10 -8.451 4.065 -1.260 1.00 0.00 C ATOM 0 H ILE B 10 -8.470 7.541 -3.744 1.00 0.00 H new ATOM 0 HA ILE B 10 -7.441 5.845 -2.859 1.00 0.00 H new ATOM 0 HB ILE B 10 -9.693 4.759 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -8.816 2.522 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -7.203 3.203 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -9.459 2.754 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -9.140 4.247 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -7.785 3.221 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -8.119 3.360 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -7.869 4.983 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -9.507 4.291 -1.109 1.00 0.00 H new ATOM 1003 N GLY B 11 -6.558 4.993 -5.947 1.00 0.00 N ATOM 1004 CA GLY B 11 -5.388 4.660 -6.740 1.00 0.00 C ATOM 1005 C GLY B 11 -4.323 5.738 -6.701 1.00 0.00 C ATOM 1006 O GLY B 11 -3.129 5.439 -6.754 1.00 0.00 O ATOM 0 H GLY B 11 -7.434 5.024 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -4.964 3.724 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -5.691 4.493 -7.774 1.00 0.00 H new ATOM 1010 N ASP B 12 -4.753 6.993 -6.617 1.00 0.00 N ATOM 1011 CA ASP B 12 -3.826 8.119 -6.579 1.00 0.00 C ATOM 1012 C ASP B 12 -2.761 7.923 -5.508 1.00 0.00 C ATOM 1013 O ASP B 12 -1.578 8.163 -5.747 1.00 0.00 O ATOM 1014 CB ASP B 12 -4.583 9.424 -6.325 1.00 0.00 C ATOM 1015 CG ASP B 12 -5.569 9.749 -7.430 1.00 0.00 C ATOM 1016 OD1 ASP B 12 -5.659 8.963 -8.397 1.00 0.00 O ATOM 1017 OD2 ASP B 12 -6.250 10.791 -7.331 1.00 0.00 O ATOM 0 H ASP B 12 -5.738 7.256 -6.574 1.00 0.00 H new ATOM 0 HA ASP B 12 -3.331 8.174 -7.548 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -5.116 9.352 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -3.869 10.242 -6.228 1.00 0.00 H new ATOM 1022 N ARG B 13 -3.183 7.486 -4.326 1.00 0.00 N ATOM 1023 CA ARG B 13 -2.250 7.264 -3.230 1.00 0.00 C ATOM 1024 C ARG B 13 -1.354 6.065 -3.511 1.00 0.00 C ATOM 1025 O ARG B 13 -0.149 6.128 -3.283 1.00 0.00 O ATOM 1026 CB ARG B 13 -2.989 7.048 -1.915 1.00 0.00 C ATOM 1027 CG ARG B 13 -4.057 8.085 -1.622 1.00 0.00 C ATOM 1028 CD ARG B 13 -4.664 7.862 -0.247 1.00 0.00 C ATOM 1029 NE ARG B 13 -4.667 6.446 0.123 1.00 0.00 N ATOM 1030 CZ ARG B 13 -5.255 5.489 -0.591 1.00 0.00 C ATOM 1031 NH1 ARG B 13 -5.895 5.787 -1.703 1.00 0.00 N ATOM 1032 NH2 ARG B 13 -5.209 4.230 -0.186 1.00 0.00 N ATOM 0 H ARG B 13 -4.157 7.280 -4.104 1.00 0.00 H new ATOM 0 HA ARG B 13 -1.632 8.158 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG B 13 -3.451 6.061 -1.929 1.00 0.00 H new ATOM 0 HB3 ARG B 13 -2.265 7.049 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG B 13 -3.624 9.084 -1.676 1.00 0.00 H new ATOM 0 HG3 ARG B 13 -4.837 8.034 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG B 13 -4.103 8.430 0.495 1.00 0.00 H new ATOM 0 HD3 ARG B 13 -5.685 8.243 -0.234 1.00 0.00 H new ATOM 0 HE ARG B 13 -4.188 6.176 0.982 1.00 0.00 H new ATOM 0 HH11 ARG B 13 -5.942 6.755 -2.021 1.00 0.00 H new ATOM 0 HH12 ARG B 13 -6.344 5.050 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG B 13 -4.721 3.989 0.677 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -5.661 3.500 -0.737 1.00 0.00 H new ATOM 1046 N LEU B 14 -1.942 4.969 -4.006 1.00 0.00 N ATOM 1047 CA LEU B 14 -1.162 3.771 -4.308 1.00 0.00 C ATOM 1048 C LEU B 14 0.043 4.128 -5.165 1.00 0.00 C ATOM 1049 O LEU B 14 1.142 3.620 -4.947 1.00 0.00 O ATOM 1050 CB LEU B 14 -2.000 2.700 -5.027 1.00 0.00 C ATOM 1051 CG LEU B 14 -3.011 1.924 -4.167 1.00 0.00 C ATOM 1052 CD1 LEU B 14 -2.501 1.742 -2.754 1.00 0.00 C ATOM 1053 CD2 LEU B 14 -4.361 2.602 -4.177 1.00 0.00 C ATOM 0 H LEU B 14 -2.940 4.890 -4.202 1.00 0.00 H new ATOM 0 HA LEU B 14 -0.831 3.357 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -2.543 3.182 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.317 1.982 -5.481 1.00 0.00 H new ATOM 0 HG LEU B 14 -3.131 0.933 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -3.237 1.190 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -1.563 1.187 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -2.335 2.718 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.058 2.034 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -4.264 3.612 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -4.736 2.651 -5.199 1.00 0.00 H new ATOM 1065 N ASP B 15 -0.166 5.014 -6.134 1.00 0.00 N ATOM 1066 CA ASP B 15 0.913 5.447 -7.012 1.00 0.00 C ATOM 1067 C ASP B 15 2.029 6.096 -6.205 1.00 0.00 C ATOM 1068 O ASP B 15 3.191 5.717 -6.323 1.00 0.00 O ATOM 1069 CB ASP B 15 0.392 6.429 -8.063 1.00 0.00 C ATOM 1070 CG ASP B 15 -0.475 5.760 -9.111 1.00 0.00 C ATOM 1071 OD1 ASP B 15 -0.686 4.533 -9.015 1.00 0.00 O ATOM 1072 OD2 ASP B 15 -0.940 6.464 -10.031 1.00 0.00 O ATOM 0 H ASP B 15 -1.070 5.444 -6.330 1.00 0.00 H new ATOM 0 HA ASP B 15 1.310 4.568 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.182 7.213 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP B 15 1.237 6.913 -8.552 1.00 0.00 H new ATOM 1077 N GLU B 16 1.666 7.069 -5.376 1.00 0.00 N ATOM 1078 CA GLU B 16 2.640 7.762 -4.542 1.00 0.00 C ATOM 1079 C GLU B 16 3.312 6.782 -3.585 1.00 0.00 C ATOM 1080 O GLU B 16 4.511 6.877 -3.320 1.00 0.00 O ATOM 1081 CB GLU B 16 1.965 8.889 -3.761 1.00 0.00 C ATOM 1082 CG GLU B 16 1.260 9.902 -4.650 1.00 0.00 C ATOM 1083 CD GLU B 16 0.633 11.038 -3.865 1.00 0.00 C ATOM 1084 OE1 GLU B 16 0.794 11.066 -2.628 1.00 0.00 O ATOM 1085 OE2 GLU B 16 -0.018 11.902 -4.490 1.00 0.00 O ATOM 0 H GLU B 16 0.706 7.395 -5.264 1.00 0.00 H new ATOM 0 HA GLU B 16 3.404 8.196 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU B 16 1.241 8.459 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.714 9.404 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU B 16 1.975 10.311 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU B 16 0.487 9.395 -5.228 1.00 0.00 H new ATOM 1092 N LEU B 17 2.528 5.832 -3.082 1.00 0.00 N ATOM 1093 CA LEU B 17 3.036 4.817 -2.168 1.00 0.00 C ATOM 1094 C LEU B 17 4.128 4.000 -2.866 1.00 0.00 C ATOM 1095 O LEU B 17 5.191 3.739 -2.302 1.00 0.00 O ATOM 1096 CB LEU B 17 1.900 3.881 -1.737 1.00 0.00 C ATOM 1097 CG LEU B 17 2.130 3.146 -0.413 1.00 0.00 C ATOM 1098 CD1 LEU B 17 1.860 4.074 0.762 1.00 0.00 C ATOM 1099 CD2 LEU B 17 1.256 1.913 -0.318 1.00 0.00 C ATOM 0 H LEU B 17 1.534 5.745 -3.294 1.00 0.00 H new ATOM 0 HA LEU B 17 3.450 5.308 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.982 4.463 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.742 3.142 -2.522 1.00 0.00 H new ATOM 0 HG LEU B 17 3.172 2.829 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.028 3.537 1.696 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.532 4.931 0.711 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.827 4.420 0.723 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.439 1.410 0.631 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.207 2.205 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.492 1.236 -1.139 1.00 0.00 H new ATOM 1111 N GLU B 18 3.845 3.595 -4.104 1.00 0.00 N ATOM 1112 CA GLU B 18 4.781 2.797 -4.894 1.00 0.00 C ATOM 1113 C GLU B 18 6.029 3.598 -5.250 1.00 0.00 C ATOM 1114 O GLU B 18 7.148 3.168 -4.978 1.00 0.00 O ATOM 1115 CB GLU B 18 4.108 2.306 -6.176 1.00 0.00 C ATOM 1116 CG GLU B 18 4.768 1.074 -6.771 1.00 0.00 C ATOM 1117 CD GLU B 18 4.209 0.703 -8.130 1.00 0.00 C ATOM 1118 OE1 GLU B 18 3.280 1.395 -8.601 1.00 0.00 O ATOM 1119 OE2 GLU B 18 4.696 -0.281 -8.724 1.00 0.00 O ATOM 0 H GLU B 18 2.970 3.808 -4.583 1.00 0.00 H new ATOM 0 HA GLU B 18 5.080 1.942 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU B 18 3.062 2.083 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU B 18 4.121 3.108 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.840 1.250 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU B 18 4.639 0.234 -6.089 1.00 0.00 H new ATOM 1126 N LYS B 19 5.825 4.762 -5.862 1.00 0.00 N ATOM 1127 CA LYS B 19 6.932 5.627 -6.258 1.00 0.00 C ATOM 1128 C LYS B 19 7.889 5.842 -5.095 1.00 0.00 C ATOM 1129 O LYS B 19 9.105 5.892 -5.280 1.00 0.00 O ATOM 1130 CB LYS B 19 6.406 6.974 -6.765 1.00 0.00 C ATOM 1131 CG LYS B 19 6.030 6.978 -8.242 1.00 0.00 C ATOM 1132 CD LYS B 19 5.064 5.859 -8.589 1.00 0.00 C ATOM 1133 CE LYS B 19 4.668 5.894 -10.055 1.00 0.00 C ATOM 1134 NZ LYS B 19 3.750 4.776 -10.405 1.00 0.00 N ATOM 0 H LYS B 19 4.902 5.128 -6.094 1.00 0.00 H new ATOM 0 HA LYS B 19 7.474 5.136 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS B 19 5.532 7.255 -6.178 1.00 0.00 H new ATOM 0 HB3 LYS B 19 7.165 7.737 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS B 19 5.580 7.937 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS B 19 6.932 6.878 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS B 19 5.523 4.897 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS B 19 4.172 5.943 -7.969 1.00 0.00 H new ATOM 0 HE2 LYS B 19 4.185 6.845 -10.279 1.00 0.00 H new ATOM 0 HE3 LYS B 19 5.563 5.838 -10.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 3.502 4.833 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 4.220 3.868 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 2.885 4.844 -9.831 1.00 0.00 H new ATOM 1148 N ALA B 20 7.332 5.961 -3.896 1.00 0.00 N ATOM 1149 CA ALA B 20 8.138 6.161 -2.703 1.00 0.00 C ATOM 1150 C ALA B 20 9.039 4.961 -2.450 1.00 0.00 C ATOM 1151 O ALA B 20 10.247 5.109 -2.271 1.00 0.00 O ATOM 1152 CB ALA B 20 7.246 6.417 -1.505 1.00 0.00 C ATOM 0 H ALA B 20 6.327 5.922 -3.726 1.00 0.00 H new ATOM 0 HA ALA B 20 8.773 7.033 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA B 20 7.862 6.565 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA B 20 6.645 7.309 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA B 20 6.589 5.561 -1.351 1.00 0.00 H new ATOM 1158 N LEU B 21 8.448 3.769 -2.450 1.00 0.00 N ATOM 1159 CA LEU B 21 9.212 2.548 -2.234 1.00 0.00 C ATOM 1160 C LEU B 21 10.222 2.343 -3.346 1.00 0.00 C ATOM 1161 O LEU B 21 11.270 1.752 -3.130 1.00 0.00 O ATOM 1162 CB LEU B 21 8.302 1.328 -2.131 1.00 0.00 C ATOM 1163 CG LEU B 21 7.730 1.060 -0.743 1.00 0.00 C ATOM 1164 CD1 LEU B 21 7.003 2.273 -0.217 1.00 0.00 C ATOM 1165 CD2 LEU B 21 6.802 -0.136 -0.770 1.00 0.00 C ATOM 0 H LEU B 21 7.449 3.625 -2.596 1.00 0.00 H new ATOM 0 HA LEU B 21 9.741 2.660 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.475 1.452 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.861 0.449 -2.452 1.00 0.00 H new ATOM 0 HG LEU B 21 8.562 0.841 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU B 21 6.604 2.057 0.774 1.00 0.00 H new ATOM 0 HD12 LEU B 21 7.695 3.113 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU B 21 6.184 2.527 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.404 -0.311 0.230 1.00 0.00 H new ATOM 0 HD22 LEU B 21 5.980 0.057 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU B 21 7.353 -1.017 -1.100 1.00 0.00 H new ATOM 1177 N GLU B 22 9.912 2.844 -4.535 1.00 0.00 N ATOM 1178 CA GLU B 22 10.831 2.711 -5.658 1.00 0.00 C ATOM 1179 C GLU B 22 12.189 3.265 -5.255 1.00 0.00 C ATOM 1180 O GLU B 22 13.233 2.715 -5.603 1.00 0.00 O ATOM 1181 CB GLU B 22 10.300 3.435 -6.896 1.00 0.00 C ATOM 1182 CG GLU B 22 9.024 2.825 -7.455 1.00 0.00 C ATOM 1183 CD GLU B 22 8.597 3.461 -8.764 1.00 0.00 C ATOM 1184 OE1 GLU B 22 9.368 3.378 -9.742 1.00 0.00 O ATOM 1185 OE2 GLU B 22 7.494 4.041 -8.811 1.00 0.00 O ATOM 0 H GLU B 22 9.045 3.339 -4.745 1.00 0.00 H new ATOM 0 HA GLU B 22 10.928 1.656 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU B 22 10.114 4.479 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU B 22 11.067 3.425 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU B 22 9.173 1.756 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU B 22 8.223 2.935 -6.724 1.00 0.00 H new ATOM 1192 N ALA B 23 12.153 4.350 -4.489 1.00 0.00 N ATOM 1193 CA ALA B 23 13.362 4.984 -3.989 1.00 0.00 C ATOM 1194 C ALA B 23 13.844 4.278 -2.726 1.00 0.00 C ATOM 1195 O ALA B 23 15.043 4.117 -2.509 1.00 0.00 O ATOM 1196 CB ALA B 23 13.104 6.456 -3.705 1.00 0.00 C ATOM 0 H ALA B 23 11.290 4.810 -4.200 1.00 0.00 H new ATOM 0 HA ALA B 23 14.139 4.906 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA B 23 14.017 6.920 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA B 23 12.793 6.955 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.317 6.550 -2.957 1.00 0.00 H new ATOM 1202 N LEU B 24 12.885 3.867 -1.900 1.00 0.00 N ATOM 1203 CA LEU B 24 13.164 3.179 -0.647 1.00 0.00 C ATOM 1204 C LEU B 24 13.279 1.677 -0.881 1.00 0.00 C ATOM 1205 O LEU B 24 13.260 0.890 0.062 1.00 0.00 O ATOM 1206 CB LEU B 24 12.021 3.463 0.330 1.00 0.00 C ATOM 1207 CG LEU B 24 12.402 3.571 1.804 1.00 0.00 C ATOM 1208 CD1 LEU B 24 13.470 4.630 2.014 1.00 0.00 C ATOM 1209 CD2 LEU B 24 11.173 3.896 2.630 1.00 0.00 C ATOM 0 H LEU B 24 11.891 4.003 -2.083 1.00 0.00 H new ATOM 0 HA LEU B 24 14.108 3.537 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU B 24 11.540 4.394 0.032 1.00 0.00 H new ATOM 0 HB3 LEU B 24 11.278 2.673 0.226 1.00 0.00 H new ATOM 0 HG LEU B 24 12.809 2.612 2.126 1.00 0.00 H new ATOM 0 HD11 LEU B 24 13.723 4.687 3.073 1.00 0.00 H new ATOM 0 HD12 LEU B 24 14.360 4.368 1.442 1.00 0.00 H new ATOM 0 HD13 LEU B 24 13.095 5.597 1.679 1.00 0.00 H new ATOM 0 HD21 LEU B 24 11.451 3.972 3.681 1.00 0.00 H new ATOM 0 HD22 LEU B 24 10.751 4.844 2.297 1.00 0.00 H new ATOM 0 HD23 LEU B 24 10.432 3.106 2.507 1.00 0.00 H new ATOM 1221 N SER B 25 13.361 1.294 -2.151 1.00 0.00 N ATOM 1222 CA SER B 25 13.435 -0.111 -2.539 1.00 0.00 C ATOM 1223 C SER B 25 14.554 -0.852 -1.819 1.00 0.00 C ATOM 1224 O SER B 25 15.664 -0.982 -2.336 1.00 0.00 O ATOM 1225 CB SER B 25 13.610 -0.234 -4.052 1.00 0.00 C ATOM 1226 OG SER B 25 14.860 0.286 -4.471 1.00 0.00 O ATOM 0 H SER B 25 13.378 1.944 -2.937 1.00 0.00 H new ATOM 0 HA SER B 25 12.495 -0.577 -2.243 1.00 0.00 H new ATOM 0 HB2 SER B 25 13.533 -1.281 -4.345 1.00 0.00 H new ATOM 0 HB3 SER B 25 12.805 0.299 -4.558 1.00 0.00 H new ATOM 0 HG SER B 25 15.556 0.018 -3.835 1.00 0.00 H new ATOM 1232 N ALA B 26 14.240 -1.353 -0.630 1.00 0.00 N ATOM 1233 CA ALA B 26 15.198 -2.104 0.166 1.00 0.00 C ATOM 1234 C ALA B 26 16.519 -1.355 0.307 1.00 0.00 C ATOM 1235 O ALA B 26 17.595 -1.946 0.206 1.00 0.00 O ATOM 1236 CB ALA B 26 15.418 -3.468 -0.463 1.00 0.00 C ATOM 0 H ALA B 26 13.323 -1.251 -0.196 1.00 0.00 H new ATOM 0 HA ALA B 26 14.791 -2.230 1.169 1.00 0.00 H new ATOM 0 HB1 ALA B 26 16.136 -4.032 0.133 1.00 0.00 H new ATOM 0 HB2 ALA B 26 14.472 -4.009 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.804 -3.344 -1.475 1.00 0.00 H new ATOM 1242 N GLU B 27 16.429 -0.051 0.538 1.00 0.00 N ATOM 1243 CA GLU B 27 17.613 0.786 0.691 1.00 0.00 C ATOM 1244 C GLU B 27 18.442 0.366 1.899 1.00 0.00 C ATOM 1245 O GLU B 27 19.669 0.459 1.881 1.00 0.00 O ATOM 1246 CB GLU B 27 17.213 2.256 0.825 1.00 0.00 C ATOM 1247 CG GLU B 27 16.598 2.838 -0.434 1.00 0.00 C ATOM 1248 CD GLU B 27 17.552 2.819 -1.612 1.00 0.00 C ATOM 1249 OE1 GLU B 27 18.653 3.395 -1.493 1.00 0.00 O ATOM 1250 OE2 GLU B 27 17.197 2.232 -2.654 1.00 0.00 O ATOM 0 H GLU B 27 15.545 0.451 0.624 1.00 0.00 H new ATOM 0 HA GLU B 27 18.224 0.657 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU B 27 16.503 2.357 1.646 1.00 0.00 H new ATOM 0 HB3 GLU B 27 18.094 2.840 1.092 1.00 0.00 H new ATOM 0 HG2 GLU B 27 15.700 2.275 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU B 27 16.286 3.864 -0.240 1.00 0.00 H new ATOM 1257 N ASP B 28 17.768 -0.082 2.955 1.00 0.00 N ATOM 1258 CA ASP B 28 18.456 -0.498 4.172 1.00 0.00 C ATOM 1259 C ASP B 28 17.553 -1.355 5.056 1.00 0.00 C ATOM 1260 O ASP B 28 17.264 -0.997 6.198 1.00 0.00 O ATOM 1261 CB ASP B 28 18.930 0.736 4.947 1.00 0.00 C ATOM 1262 CG ASP B 28 19.747 0.374 6.173 1.00 0.00 C ATOM 1263 OD1 ASP B 28 20.805 -0.269 6.012 1.00 0.00 O ATOM 1264 OD2 ASP B 28 19.328 0.737 7.292 1.00 0.00 O ATOM 0 H ASP B 28 16.752 -0.166 2.992 1.00 0.00 H new ATOM 0 HA ASP B 28 19.317 -1.102 3.886 1.00 0.00 H new ATOM 0 HB2 ASP B 28 19.528 1.367 4.289 1.00 0.00 H new ATOM 0 HB3 ASP B 28 18.064 1.324 5.252 1.00 0.00 H new ATOM 1269 N GLY B 29 17.106 -2.487 4.519 1.00 0.00 N ATOM 1270 CA GLY B 29 16.238 -3.370 5.278 1.00 0.00 C ATOM 1271 C GLY B 29 14.929 -2.704 5.640 1.00 0.00 C ATOM 1272 O GLY B 29 14.526 -2.695 6.804 1.00 0.00 O ATOM 0 H GLY B 29 17.328 -2.807 3.576 1.00 0.00 H new ATOM 0 HA2 GLY B 29 16.038 -4.270 4.696 1.00 0.00 H new ATOM 0 HA3 GLY B 29 16.748 -3.685 6.188 1.00 0.00 H new ATOM 1276 N HIS B 30 14.277 -2.129 4.637 1.00 0.00 N ATOM 1277 CA HIS B 30 13.011 -1.434 4.831 1.00 0.00 C ATOM 1278 C HIS B 30 11.847 -2.407 5.026 1.00 0.00 C ATOM 1279 O HIS B 30 10.751 -2.186 4.514 1.00 0.00 O ATOM 1280 CB HIS B 30 12.757 -0.506 3.641 1.00 0.00 C ATOM 1281 CG HIS B 30 13.633 0.705 3.659 1.00 0.00 C ATOM 1282 ND1 HIS B 30 13.687 1.576 4.726 1.00 0.00 N ATOM 1283 CD2 HIS B 30 14.504 1.181 2.740 1.00 0.00 C ATOM 1284 CE1 HIS B 30 14.556 2.536 4.464 1.00 0.00 C ATOM 1285 NE2 HIS B 30 15.066 2.319 3.266 1.00 0.00 N ATOM 0 H HIS B 30 14.608 -2.131 3.672 1.00 0.00 H new ATOM 0 HA HIS B 30 13.079 -0.843 5.744 1.00 0.00 H new ATOM 0 HB2 HIS B 30 12.923 -1.056 2.714 1.00 0.00 H new ATOM 0 HB3 HIS B 30 11.713 -0.194 3.644 1.00 0.00 H new ATOM 0 HD1 HIS B 30 13.141 1.492 5.584 1.00 0.00 H new ATOM 0 HD2 HIS B 30 14.718 0.748 1.774 1.00 0.00 H new ATOM 0 HE1 HIS B 30 14.806 3.358 5.118 1.00 0.00 H new ATOM 1294 N ASP B 31 12.083 -3.470 5.792 1.00 0.00 N ATOM 1295 CA ASP B 31 11.044 -4.456 6.069 1.00 0.00 C ATOM 1296 C ASP B 31 9.806 -3.775 6.638 1.00 0.00 C ATOM 1297 O ASP B 31 8.681 -4.225 6.421 1.00 0.00 O ATOM 1298 CB ASP B 31 11.551 -5.514 7.051 1.00 0.00 C ATOM 1299 CG ASP B 31 12.641 -6.384 6.460 1.00 0.00 C ATOM 1300 OD1 ASP B 31 12.359 -7.100 5.477 1.00 0.00 O ATOM 1301 OD2 ASP B 31 13.777 -6.348 6.977 1.00 0.00 O ATOM 0 H ASP B 31 12.982 -3.669 6.230 1.00 0.00 H new ATOM 0 HA ASP B 31 10.782 -4.946 5.131 1.00 0.00 H new ATOM 0 HB2 ASP B 31 11.930 -5.021 7.946 1.00 0.00 H new ATOM 0 HB3 ASP B 31 10.718 -6.144 7.363 1.00 0.00 H new ATOM 1306 N ASP B 32 10.026 -2.683 7.365 1.00 0.00 N ATOM 1307 CA ASP B 32 8.935 -1.929 7.966 1.00 0.00 C ATOM 1308 C ASP B 32 7.904 -1.545 6.912 1.00 0.00 C ATOM 1309 O ASP B 32 6.700 -1.663 7.141 1.00 0.00 O ATOM 1310 CB ASP B 32 9.472 -0.676 8.661 1.00 0.00 C ATOM 1311 CG ASP B 32 8.387 0.103 9.381 1.00 0.00 C ATOM 1312 OD1 ASP B 32 7.446 0.572 8.709 1.00 0.00 O ATOM 1313 OD2 ASP B 32 8.481 0.242 10.619 1.00 0.00 O ATOM 0 H ASP B 32 10.953 -2.301 7.551 1.00 0.00 H new ATOM 0 HA ASP B 32 8.451 -2.562 8.710 1.00 0.00 H new ATOM 0 HB2 ASP B 32 10.243 -0.964 9.376 1.00 0.00 H new ATOM 0 HB3 ASP B 32 9.948 -0.031 7.922 1.00 0.00 H new ATOM 1318 N VAL B 33 8.380 -1.094 5.752 1.00 0.00 N ATOM 1319 CA VAL B 33 7.483 -0.709 4.671 1.00 0.00 C ATOM 1320 C VAL B 33 6.659 -1.908 4.224 1.00 0.00 C ATOM 1321 O VAL B 33 5.495 -1.772 3.854 1.00 0.00 O ATOM 1322 CB VAL B 33 8.234 -0.124 3.462 1.00 0.00 C ATOM 1323 CG1 VAL B 33 7.249 0.536 2.516 1.00 0.00 C ATOM 1324 CG2 VAL B 33 9.288 0.873 3.918 1.00 0.00 C ATOM 0 H VAL B 33 9.372 -0.988 5.541 1.00 0.00 H new ATOM 0 HA VAL B 33 6.830 0.071 5.062 1.00 0.00 H new ATOM 0 HB VAL B 33 8.740 -0.933 2.936 1.00 0.00 H new ATOM 0 HG11 VAL B 33 7.786 0.949 1.662 1.00 0.00 H new ATOM 0 HG12 VAL B 33 6.527 -0.203 2.169 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.725 1.337 3.037 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.808 1.276 3.049 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.808 1.686 4.463 1.00 0.00 H new ATOM 0 HG23 VAL B 33 10.004 0.373 4.570 1.00 0.00 H new ATOM 1334 N GLY B 34 7.276 -3.086 4.276 1.00 0.00 N ATOM 1335 CA GLY B 34 6.590 -4.303 3.890 1.00 0.00 C ATOM 1336 C GLY B 34 5.454 -4.642 4.831 1.00 0.00 C ATOM 1337 O GLY B 34 4.377 -5.038 4.394 1.00 0.00 O ATOM 0 H GLY B 34 8.241 -3.217 4.580 1.00 0.00 H new ATOM 0 HA2 GLY B 34 6.201 -4.193 2.878 1.00 0.00 H new ATOM 0 HA3 GLY B 34 7.302 -5.128 3.870 1.00 0.00 H new ATOM 1341 N GLN B 35 5.696 -4.482 6.129 1.00 0.00 N ATOM 1342 CA GLN B 35 4.680 -4.767 7.135 1.00 0.00 C ATOM 1343 C GLN B 35 3.515 -3.794 7.002 1.00 0.00 C ATOM 1344 O GLN B 35 2.353 -4.182 7.104 1.00 0.00 O ATOM 1345 CB GLN B 35 5.281 -4.694 8.539 1.00 0.00 C ATOM 1346 CG GLN B 35 6.419 -5.679 8.764 1.00 0.00 C ATOM 1347 CD GLN B 35 6.003 -7.122 8.530 1.00 0.00 C ATOM 1348 OE1 GLN B 35 5.562 -7.486 7.441 1.00 0.00 O ATOM 1349 NE2 GLN B 35 6.148 -7.954 9.552 1.00 0.00 N ATOM 0 H GLN B 35 6.586 -4.157 6.508 1.00 0.00 H new ATOM 0 HA GLN B 35 4.307 -5.778 6.973 1.00 0.00 H new ATOM 0 HB2 GLN B 35 5.646 -3.682 8.717 1.00 0.00 H new ATOM 0 HB3 GLN B 35 4.497 -4.884 9.272 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.245 -5.431 8.098 1.00 0.00 H new ATOM 0 HG3 GLN B 35 6.789 -5.573 9.784 1.00 0.00 H new ATOM 0 HE21 GLN B 35 6.518 -7.612 10.439 1.00 0.00 H new ATOM 0 HE22 GLN B 35 5.890 -8.936 9.451 1.00 0.00 H new ATOM 1358 N ARG B 36 3.839 -2.527 6.757 1.00 0.00 N ATOM 1359 CA ARG B 36 2.826 -1.495 6.586 1.00 0.00 C ATOM 1360 C ARG B 36 2.005 -1.773 5.334 1.00 0.00 C ATOM 1361 O ARG B 36 0.775 -1.762 5.361 1.00 0.00 O ATOM 1362 CB ARG B 36 3.490 -0.121 6.465 1.00 0.00 C ATOM 1363 CG ARG B 36 4.236 0.313 7.713 1.00 0.00 C ATOM 1364 CD ARG B 36 3.275 0.713 8.821 1.00 0.00 C ATOM 1365 NE ARG B 36 3.970 1.023 10.070 1.00 0.00 N ATOM 1366 CZ ARG B 36 4.878 1.988 10.196 1.00 0.00 C ATOM 1367 NH1 ARG B 36 5.209 2.738 9.153 1.00 0.00 N ATOM 1368 NH2 ARG B 36 5.458 2.203 11.368 1.00 0.00 N ATOM 0 H ARG B 36 4.799 -2.192 6.673 1.00 0.00 H new ATOM 0 HA ARG B 36 2.170 -1.502 7.457 1.00 0.00 H new ATOM 0 HB2 ARG B 36 4.185 -0.137 5.625 1.00 0.00 H new ATOM 0 HB3 ARG B 36 2.726 0.622 6.233 1.00 0.00 H new ATOM 0 HG2 ARG B 36 4.874 -0.500 8.059 1.00 0.00 H new ATOM 0 HG3 ARG B 36 4.889 1.152 7.475 1.00 0.00 H new ATOM 0 HD2 ARG B 36 2.698 1.581 8.503 1.00 0.00 H new ATOM 0 HD3 ARG B 36 2.565 -0.096 8.993 1.00 0.00 H new ATOM 0 HE ARG B 36 3.745 0.466 10.894 1.00 0.00 H new ATOM 0 HH11 ARG B 36 4.767 2.577 8.248 1.00 0.00 H new ATOM 0 HH12 ARG B 36 5.906 3.476 9.256 1.00 0.00 H new ATOM 0 HH21 ARG B 36 5.209 1.629 12.173 1.00 0.00 H new ATOM 0 HH22 ARG B 36 6.154 2.942 11.465 1.00 0.00 H new ATOM 1382 N LEU B 37 2.713 -2.020 4.241 1.00 0.00 N ATOM 1383 CA LEU B 37 2.099 -2.305 2.950 1.00 0.00 C ATOM 1384 C LEU B 37 1.236 -3.561 3.029 1.00 0.00 C ATOM 1385 O LEU B 37 0.123 -3.600 2.504 1.00 0.00 O ATOM 1386 CB LEU B 37 3.199 -2.497 1.906 1.00 0.00 C ATOM 1387 CG LEU B 37 2.924 -1.909 0.519 1.00 0.00 C ATOM 1388 CD1 LEU B 37 4.069 -2.257 -0.422 1.00 0.00 C ATOM 1389 CD2 LEU B 37 1.595 -2.404 -0.036 1.00 0.00 C ATOM 0 H LEU B 37 3.733 -2.029 4.224 1.00 0.00 H new ATOM 0 HA LEU B 37 1.460 -1.468 2.667 1.00 0.00 H new ATOM 0 HB2 LEU B 37 4.117 -2.053 2.290 1.00 0.00 H new ATOM 0 HB3 LEU B 37 3.383 -3.566 1.795 1.00 0.00 H new ATOM 0 HG LEU B 37 2.856 -0.825 0.608 1.00 0.00 H new ATOM 0 HD11 LEU B 37 3.870 -1.837 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU B 37 4.999 -1.843 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU B 37 4.159 -3.340 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.428 -1.969 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.617 -3.491 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU B 37 0.788 -2.107 0.633 1.00 0.00 H new ATOM 1401 N GLU B 38 1.769 -4.585 3.682 1.00 0.00 N ATOM 1402 CA GLU B 38 1.072 -5.855 3.835 1.00 0.00 C ATOM 1403 C GLU B 38 -0.153 -5.692 4.725 1.00 0.00 C ATOM 1404 O GLU B 38 -1.217 -6.241 4.437 1.00 0.00 O ATOM 1405 CB GLU B 38 2.027 -6.906 4.406 1.00 0.00 C ATOM 1406 CG GLU B 38 1.545 -8.336 4.240 1.00 0.00 C ATOM 1407 CD GLU B 38 0.613 -8.783 5.350 1.00 0.00 C ATOM 1408 OE1 GLU B 38 0.395 -7.998 6.296 1.00 0.00 O ATOM 1409 OE2 GLU B 38 0.110 -9.924 5.278 1.00 0.00 O ATOM 0 H GLU B 38 2.691 -4.560 4.118 1.00 0.00 H new ATOM 0 HA GLU B 38 0.730 -6.191 2.856 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.997 -6.802 3.920 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.179 -6.706 5.467 1.00 0.00 H new ATOM 0 HG2 GLU B 38 1.032 -8.431 3.283 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.407 -9.002 4.207 1.00 0.00 H new ATOM 1416 N SER B 39 -0.003 -4.919 5.795 1.00 0.00 N ATOM 1417 CA SER B 39 -1.105 -4.668 6.714 1.00 0.00 C ATOM 1418 C SER B 39 -2.264 -4.022 5.967 1.00 0.00 C ATOM 1419 O SER B 39 -3.431 -4.290 6.253 1.00 0.00 O ATOM 1420 CB SER B 39 -0.652 -3.764 7.863 1.00 0.00 C ATOM 1421 OG SER B 39 -1.712 -3.521 8.771 1.00 0.00 O ATOM 0 H SER B 39 0.870 -4.456 6.046 1.00 0.00 H new ATOM 0 HA SER B 39 -1.434 -5.619 7.133 1.00 0.00 H new ATOM 0 HB2 SER B 39 0.181 -4.230 8.389 1.00 0.00 H new ATOM 0 HB3 SER B 39 -0.288 -2.818 7.463 1.00 0.00 H new ATOM 0 HG SER B 39 -1.396 -2.942 9.496 1.00 0.00 H new ATOM 1427 N LEU B 40 -1.926 -3.174 4.999 1.00 0.00 N ATOM 1428 CA LEU B 40 -2.927 -2.487 4.191 1.00 0.00 C ATOM 1429 C LEU B 40 -3.867 -3.487 3.534 1.00 0.00 C ATOM 1430 O LEU B 40 -5.086 -3.346 3.609 1.00 0.00 O ATOM 1431 CB LEU B 40 -2.251 -1.651 3.102 1.00 0.00 C ATOM 1432 CG LEU B 40 -1.310 -0.553 3.597 1.00 0.00 C ATOM 1433 CD1 LEU B 40 -0.551 0.055 2.428 1.00 0.00 C ATOM 1434 CD2 LEU B 40 -2.081 0.517 4.349 1.00 0.00 C ATOM 0 H LEU B 40 -0.962 -2.946 4.755 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.499 -1.835 4.851 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.688 -2.321 2.453 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.026 -1.191 2.489 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.591 -0.998 4.285 1.00 0.00 H new ATOM 0 HD11 LEU B 40 0.116 0.836 2.794 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.034 -0.719 1.932 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.258 0.485 1.719 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.392 1.289 4.692 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.824 0.963 3.688 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.581 0.069 5.208 1.00 0.00 H new ATOM 1446 N LEU B 41 -3.286 -4.488 2.877 1.00 0.00 N ATOM 1447 CA LEU B 41 -4.061 -5.512 2.184 1.00 0.00 C ATOM 1448 C LEU B 41 -4.726 -6.489 3.143 1.00 0.00 C ATOM 1449 O LEU B 41 -5.908 -6.790 2.997 1.00 0.00 O ATOM 1450 CB LEU B 41 -3.175 -6.263 1.193 1.00 0.00 C ATOM 1451 CG LEU B 41 -3.034 -5.580 -0.164 1.00 0.00 C ATOM 1452 CD1 LEU B 41 -1.919 -6.206 -0.982 1.00 0.00 C ATOM 1453 CD2 LEU B 41 -4.352 -5.640 -0.919 1.00 0.00 C ATOM 0 H LEU B 41 -2.276 -4.611 2.810 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.859 -5.001 1.645 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.184 -6.386 1.630 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -3.583 -7.262 1.043 1.00 0.00 H new ATOM 0 HG LEU B 41 -2.773 -4.535 0.006 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.843 -5.698 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -0.975 -6.109 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -2.136 -7.261 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -4.240 -5.150 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -4.637 -6.681 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -5.125 -5.132 -0.342 1.00 0.00 H new ATOM 1465 N ARG B 42 -3.978 -6.987 4.121 1.00 0.00 N ATOM 1466 CA ARG B 42 -4.540 -7.928 5.081 1.00 0.00 C ATOM 1467 C ARG B 42 -5.848 -7.377 5.634 1.00 0.00 C ATOM 1468 O ARG B 42 -6.800 -8.121 5.870 1.00 0.00 O ATOM 1469 CB ARG B 42 -3.552 -8.209 6.215 1.00 0.00 C ATOM 1470 CG ARG B 42 -4.053 -9.240 7.217 1.00 0.00 C ATOM 1471 CD ARG B 42 -4.387 -10.564 6.544 1.00 0.00 C ATOM 1472 NE ARG B 42 -3.233 -11.144 5.862 1.00 0.00 N ATOM 1473 CZ ARG B 42 -3.275 -12.291 5.188 1.00 0.00 C ATOM 1474 NH1 ARG B 42 -4.407 -12.976 5.104 1.00 0.00 N ATOM 1475 NH2 ARG B 42 -2.181 -12.753 4.597 1.00 0.00 N ATOM 0 H ARG B 42 -2.995 -6.759 4.269 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.738 -8.871 4.571 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -2.611 -8.556 5.788 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.339 -7.278 6.740 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.294 -9.402 7.982 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.939 -8.855 7.723 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.756 -11.266 7.291 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -5.192 -10.411 5.825 1.00 0.00 H new ATOM 0 HE ARG B 42 -2.346 -10.642 5.905 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -5.251 -12.625 5.557 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -4.434 -13.854 4.586 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -1.308 -12.229 4.659 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -2.213 -13.632 4.080 1.00 0.00 H new ATOM 1489 N ARG B 43 -5.889 -6.061 5.814 1.00 0.00 N ATOM 1490 CA ARG B 43 -7.082 -5.388 6.310 1.00 0.00 C ATOM 1491 C ARG B 43 -8.010 -5.034 5.148 1.00 0.00 C ATOM 1492 O ARG B 43 -9.230 -5.129 5.262 1.00 0.00 O ATOM 1493 CB ARG B 43 -6.698 -4.120 7.080 1.00 0.00 C ATOM 1494 CG ARG B 43 -5.738 -4.371 8.235 1.00 0.00 C ATOM 1495 CD ARG B 43 -6.323 -5.330 9.259 1.00 0.00 C ATOM 1496 NE ARG B 43 -5.414 -5.555 10.379 1.00 0.00 N ATOM 1497 CZ ARG B 43 -5.682 -6.367 11.397 1.00 0.00 C ATOM 1498 NH1 ARG B 43 -6.828 -7.034 11.433 1.00 0.00 N ATOM 1499 NH2 ARG B 43 -4.805 -6.514 12.381 1.00 0.00 N ATOM 0 H ARG B 43 -5.105 -5.437 5.622 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.605 -6.064 6.987 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.243 -3.410 6.389 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.603 -3.653 7.467 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.804 -4.778 7.849 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.497 -3.425 8.720 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -7.266 -4.931 9.632 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -6.548 -6.282 8.778 1.00 0.00 H new ATOM 0 HE ARG B 43 -4.522 -5.061 10.381 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -7.506 -6.924 10.679 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -7.031 -7.656 12.215 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.922 -6.003 12.358 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -5.013 -7.138 13.161 1.00 0.00 H new ATOM 1513 N TRP B 44 -7.409 -4.629 4.029 1.00 0.00 N ATOM 1514 CA TRP B 44 -8.158 -4.259 2.828 1.00 0.00 C ATOM 1515 C TRP B 44 -9.059 -5.402 2.366 1.00 0.00 C ATOM 1516 O TRP B 44 -10.277 -5.247 2.262 1.00 0.00 O ATOM 1517 CB TRP B 44 -7.182 -3.888 1.708 1.00 0.00 C ATOM 1518 CG TRP B 44 -7.844 -3.549 0.407 1.00 0.00 C ATOM 1519 CD1 TRP B 44 -7.470 -3.978 -0.834 1.00 0.00 C ATOM 1520 CD2 TRP B 44 -8.981 -2.702 0.211 1.00 0.00 C ATOM 1521 NE1 TRP B 44 -8.304 -3.456 -1.786 1.00 0.00 N ATOM 1522 CE2 TRP B 44 -9.239 -2.670 -1.172 1.00 0.00 C ATOM 1523 CE3 TRP B 44 -9.809 -1.969 1.064 1.00 0.00 C ATOM 1524 CZ2 TRP B 44 -10.283 -1.937 -1.717 1.00 0.00 C ATOM 1525 CZ3 TRP B 44 -10.846 -1.239 0.514 1.00 0.00 C ATOM 1526 CH2 TRP B 44 -11.074 -1.228 -0.862 1.00 0.00 C ATOM 0 H TRP B 44 -6.397 -4.549 3.929 1.00 0.00 H new ATOM 0 HA TRP B 44 -8.789 -3.403 3.068 1.00 0.00 H new ATOM 0 HB2 TRP B 44 -6.582 -3.037 2.031 1.00 0.00 H new ATOM 0 HB3 TRP B 44 -6.496 -4.720 1.548 1.00 0.00 H new ATOM 0 HD1 TRP B 44 -6.636 -4.634 -1.036 1.00 0.00 H new ATOM 0 HE1 TRP B 44 -8.238 -3.626 -2.790 1.00 0.00 H new ATOM 0 HE3 TRP B 44 -9.643 -1.972 2.131 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 -10.463 -1.928 -2.782 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 -11.492 -0.666 1.162 1.00 0.00 H new ATOM 0 HH2 TRP B 44 -11.893 -0.646 -1.258 1.00 0.00 H new ATOM 1537 N ASN B 45 -8.446 -6.547 2.088 1.00 0.00 N ATOM 1538 CA ASN B 45 -9.171 -7.728 1.633 1.00 0.00 C ATOM 1539 C ASN B 45 -10.122 -8.244 2.709 1.00 0.00 C ATOM 1540 O ASN B 45 -11.252 -8.634 2.414 1.00 0.00 O ATOM 1541 CB ASN B 45 -8.185 -8.828 1.235 1.00 0.00 C ATOM 1542 CG ASN B 45 -7.286 -8.410 0.088 1.00 0.00 C ATOM 1543 OD1 ASN B 45 -5.983 -8.359 0.344 1.00 0.00 O flip ATOM 1544 ND2 ASN B 45 -7.757 -8.133 -1.015 1.00 0.00 N flip ATOM 0 H ASN B 45 -7.438 -6.683 2.171 1.00 0.00 H new ATOM 0 HA ASN B 45 -9.766 -7.444 0.765 1.00 0.00 H new ATOM 0 HB2 ASN B 45 -7.572 -9.092 2.097 1.00 0.00 H new ATOM 0 HB3 ASN B 45 -8.738 -9.723 0.952 1.00 0.00 H new ATOM 0 HD21 ASN B 45 -8.764 -8.186 -1.167 1.00 0.00 H new ATOM 0 HD22 ASN B 45 -7.140 -7.851 -1.777 1.00 0.00 H new ATOM 1551 N SER B 46 -9.657 -8.250 3.955 1.00 0.00 N ATOM 1552 CA SER B 46 -10.468 -8.725 5.072 1.00 0.00 C ATOM 1553 C SER B 46 -11.788 -7.967 5.150 1.00 0.00 C ATOM 1554 O SER B 46 -12.849 -8.567 5.321 1.00 0.00 O ATOM 1555 CB SER B 46 -9.703 -8.575 6.388 1.00 0.00 C ATOM 1556 OG SER B 46 -10.475 -9.038 7.483 1.00 0.00 O ATOM 0 H SER B 46 -8.724 -7.932 4.217 1.00 0.00 H new ATOM 0 HA SER B 46 -10.685 -9.780 4.904 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.769 -9.135 6.335 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.439 -7.529 6.542 1.00 0.00 H new ATOM 0 HG SER B 46 -9.963 -8.933 8.312 1.00 0.00 H new ATOM 1562 N ARG B 47 -11.716 -6.647 5.018 1.00 0.00 N ATOM 1563 CA ARG B 47 -12.907 -5.807 5.068 1.00 0.00 C ATOM 1564 C ARG B 47 -13.870 -6.163 3.942 1.00 0.00 C ATOM 1565 O ARG B 47 -15.086 -6.179 4.137 1.00 0.00 O ATOM 1566 CB ARG B 47 -12.521 -4.329 4.987 1.00 0.00 C ATOM 1567 CG ARG B 47 -11.729 -3.842 6.190 1.00 0.00 C ATOM 1568 CD ARG B 47 -11.296 -2.394 6.027 1.00 0.00 C ATOM 1569 NE ARG B 47 -10.549 -1.910 7.186 1.00 0.00 N ATOM 1570 CZ ARG B 47 -11.067 -1.796 8.406 1.00 0.00 C ATOM 1571 NH1 ARG B 47 -12.337 -2.111 8.624 1.00 0.00 N ATOM 1572 NH2 ARG B 47 -10.316 -1.363 9.409 1.00 0.00 N ATOM 0 H ARG B 47 -10.845 -6.135 4.876 1.00 0.00 H new ATOM 0 HA ARG B 47 -13.410 -5.987 6.018 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.933 -4.164 4.084 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -13.427 -3.730 4.891 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -12.336 -3.942 7.090 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.850 -4.472 6.327 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.679 -2.299 5.133 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.175 -1.768 5.876 1.00 0.00 H new ATOM 0 HE ARG B 47 -9.573 -1.644 7.052 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -12.920 -2.442 7.855 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -12.731 -2.022 9.561 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -9.340 -1.117 9.246 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.714 -1.276 10.344 1.00 0.00 H new ATOM 1586 N ARG B 48 -13.321 -6.451 2.764 1.00 0.00 N ATOM 1587 CA ARG B 48 -14.138 -6.810 1.611 1.00 0.00 C ATOM 1588 C ARG B 48 -15.010 -8.019 1.928 1.00 0.00 C ATOM 1589 O ARG B 48 -16.220 -8.003 1.696 1.00 0.00 O ATOM 1590 CB ARG B 48 -13.254 -7.113 0.400 1.00 0.00 C ATOM 1591 CG ARG B 48 -12.393 -5.940 -0.037 1.00 0.00 C ATOM 1592 CD ARG B 48 -11.648 -6.248 -1.326 1.00 0.00 C ATOM 1593 NE ARG B 48 -12.562 -6.576 -2.418 1.00 0.00 N ATOM 1594 CZ ARG B 48 -13.471 -5.731 -2.901 1.00 0.00 C ATOM 1595 NH1 ARG B 48 -13.569 -4.502 -2.411 1.00 0.00 N ATOM 1596 NH2 ARG B 48 -14.278 -6.115 -3.880 1.00 0.00 N ATOM 0 H ARG B 48 -12.317 -6.442 2.585 1.00 0.00 H new ATOM 0 HA ARG B 48 -14.782 -5.963 1.375 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -12.608 -7.959 0.636 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -13.887 -7.418 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -13.020 -5.060 -0.179 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.678 -5.699 0.749 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -11.039 -5.389 -1.608 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.966 -7.082 -1.161 1.00 0.00 H new ATOM 0 HE ARG B 48 -12.500 -7.505 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -12.947 -4.201 -1.661 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -14.267 -3.858 -2.784 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -14.203 -7.057 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -14.974 -5.468 -4.250 1.00 0.00 H new ATOM 1610 N ALA B 49 -14.389 -9.062 2.468 1.00 0.00 N ATOM 1611 CA ALA B 49 -15.109 -10.276 2.827 1.00 0.00 C ATOM 1612 C ALA B 49 -16.124 -9.992 3.928 1.00 0.00 C ATOM 1613 O ALA B 49 -17.256 -10.474 3.883 1.00 0.00 O ATOM 1614 CB ALA B 49 -14.133 -11.357 3.270 1.00 0.00 C ATOM 0 H ALA B 49 -13.389 -9.090 2.666 1.00 0.00 H new ATOM 0 HA ALA B 49 -15.647 -10.631 1.948 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -14.685 -12.259 3.535 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -13.443 -11.580 2.456 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -13.571 -11.007 4.136 1.00 0.00 H new ATOM 1620 N ASP B 50 -15.705 -9.202 4.913 1.00 0.00 N ATOM 1621 CA ASP B 50 -16.566 -8.840 6.033 1.00 0.00 C ATOM 1622 C ASP B 50 -17.128 -10.090 6.706 1.00 0.00 C ATOM 1623 O ASP B 50 -18.294 -10.126 7.101 1.00 0.00 O ATOM 1624 CB ASP B 50 -17.704 -7.933 5.553 1.00 0.00 C ATOM 1625 CG ASP B 50 -18.517 -7.352 6.696 1.00 0.00 C ATOM 1626 OD1 ASP B 50 -18.198 -7.650 7.866 1.00 0.00 O ATOM 1627 OD2 ASP B 50 -19.470 -6.596 6.421 1.00 0.00 O ATOM 0 H ASP B 50 -14.769 -8.799 4.957 1.00 0.00 H new ATOM 0 HA ASP B 50 -15.970 -8.296 6.766 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -17.288 -7.119 4.959 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -18.363 -8.501 4.897 1.00 0.00 H new ATOM 1632 N ALA B 51 -16.285 -11.111 6.833 1.00 0.00 N ATOM 1633 CA ALA B 51 -16.684 -12.368 7.457 1.00 0.00 C ATOM 1634 C ALA B 51 -15.521 -13.357 7.484 1.00 0.00 C ATOM 1635 O ALA B 51 -14.865 -13.581 6.467 1.00 0.00 O ATOM 1636 CB ALA B 51 -17.870 -12.975 6.722 1.00 0.00 C ATOM 0 H ALA B 51 -15.318 -11.092 6.510 1.00 0.00 H new ATOM 0 HA ALA B 51 -16.978 -12.155 8.485 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -18.154 -13.912 7.201 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -18.711 -12.282 6.753 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -17.596 -13.166 5.685 1.00 0.00 H new ATOM 1642 N PRO B 52 -15.248 -13.966 8.653 1.00 0.00 N ATOM 1643 CA PRO B 52 -14.157 -14.936 8.802 1.00 0.00 C ATOM 1644 C PRO B 52 -14.359 -16.164 7.920 1.00 0.00 C ATOM 1645 O PRO B 52 -15.434 -16.765 7.918 1.00 0.00 O ATOM 1646 CB PRO B 52 -14.212 -15.329 10.283 1.00 0.00 C ATOM 1647 CG PRO B 52 -14.999 -14.249 10.946 1.00 0.00 C ATOM 1648 CD PRO B 52 -15.975 -13.760 9.916 1.00 0.00 C ATOM 0 HA PRO B 52 -13.198 -14.515 8.501 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -14.688 -16.301 10.415 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -13.211 -15.404 10.708 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -15.518 -14.628 11.827 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -14.348 -13.442 11.282 1.00 0.00 H new ATOM 0 HD2 PRO B 52 -16.907 -14.324 9.942 1.00 0.00 H new ATOM 0 HD3 PRO B 52 -16.232 -12.712 10.068 1.00 0.00 H new ATOM 1656 N SER B 53 -13.319 -16.531 7.176 1.00 0.00 N ATOM 1657 CA SER B 53 -13.381 -17.689 6.289 1.00 0.00 C ATOM 1658 C SER B 53 -12.028 -17.935 5.622 1.00 0.00 C ATOM 1659 O SER B 53 -10.982 -17.797 6.256 1.00 0.00 O ATOM 1660 CB SER B 53 -14.464 -17.484 5.226 1.00 0.00 C ATOM 1661 OG SER B 53 -14.198 -16.336 4.440 1.00 0.00 O ATOM 0 H SER B 53 -12.423 -16.043 7.170 1.00 0.00 H new ATOM 0 HA SER B 53 -13.633 -18.565 6.887 1.00 0.00 H new ATOM 0 HB2 SER B 53 -14.518 -18.363 4.584 1.00 0.00 H new ATOM 0 HB3 SER B 53 -15.436 -17.381 5.708 1.00 0.00 H new ATOM 0 HG SER B 53 -14.903 -16.229 3.768 1.00 0.00 H new ATOM 1667 N THR B 54 -12.056 -18.300 4.340 1.00 0.00 N ATOM 1668 CA THR B 54 -10.833 -18.564 3.590 1.00 0.00 C ATOM 1669 C THR B 54 -11.143 -18.851 2.125 1.00 0.00 C ATOM 1670 O THR B 54 -12.085 -19.580 1.811 1.00 0.00 O ATOM 1671 CB THR B 54 -10.053 -19.753 4.183 1.00 0.00 C ATOM 1672 OG1 THR B 54 -8.879 -20.008 3.401 1.00 0.00 O ATOM 1673 CG2 THR B 54 -10.919 -21.003 4.228 1.00 0.00 C ATOM 0 H THR B 54 -12.914 -18.419 3.801 1.00 0.00 H new ATOM 0 HA THR B 54 -10.217 -17.668 3.661 1.00 0.00 H new ATOM 0 HB THR B 54 -9.763 -19.495 5.202 1.00 0.00 H new ATOM 0 HG1 THR B 54 -8.388 -20.764 3.785 1.00 0.00 H new ATOM 0 HG21 THR B 54 -10.345 -21.828 4.651 1.00 0.00 H new ATOM 0 HG22 THR B 54 -11.796 -20.816 4.848 1.00 0.00 H new ATOM 0 HG23 THR B 54 -11.237 -21.262 3.218 1.00 0.00 H new ATOM 1681 N SER B 55 -10.348 -18.273 1.231 1.00 0.00 N ATOM 1682 CA SER B 55 -10.541 -18.467 -0.202 1.00 0.00 C ATOM 1683 C SER B 55 -10.411 -19.940 -0.576 1.00 0.00 C ATOM 1684 O SER B 55 -9.443 -20.602 -0.198 1.00 0.00 O ATOM 1685 CB SER B 55 -9.527 -17.637 -0.991 1.00 0.00 C ATOM 1686 OG SER B 55 -9.668 -16.255 -0.710 1.00 0.00 O ATOM 0 H SER B 55 -9.564 -17.667 1.473 1.00 0.00 H new ATOM 0 HA SER B 55 -11.548 -18.135 -0.455 1.00 0.00 H new ATOM 0 HB2 SER B 55 -8.516 -17.960 -0.742 1.00 0.00 H new ATOM 0 HB3 SER B 55 -9.663 -17.810 -2.059 1.00 0.00 H new ATOM 0 HG SER B 55 -9.007 -15.747 -1.226 1.00 0.00 H new ATOM 1692 N ALA B 56 -11.391 -20.443 -1.320 1.00 0.00 N ATOM 1693 CA ALA B 56 -11.395 -21.838 -1.751 1.00 0.00 C ATOM 1694 C ALA B 56 -12.590 -22.121 -2.659 1.00 0.00 C ATOM 1695 O ALA B 56 -12.933 -21.305 -3.515 1.00 0.00 O ATOM 1696 CB ALA B 56 -11.408 -22.763 -0.541 1.00 0.00 C ATOM 0 H ALA B 56 -12.196 -19.903 -1.638 1.00 0.00 H new ATOM 0 HA ALA B 56 -10.486 -22.026 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -11.411 -23.800 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -10.521 -22.580 0.066 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.301 -22.571 0.054 1.00 0.00 H new ATOM 1702 N ILE B 57 -13.224 -23.278 -2.468 1.00 0.00 N ATOM 1703 CA ILE B 57 -14.381 -23.659 -3.271 1.00 0.00 C ATOM 1704 C ILE B 57 -14.981 -24.972 -2.778 1.00 0.00 C ATOM 1705 O ILE B 57 -14.259 -25.922 -2.474 1.00 0.00 O ATOM 1706 CB ILE B 57 -14.013 -23.795 -4.763 1.00 0.00 C ATOM 1707 CG1 ILE B 57 -15.251 -24.162 -5.587 1.00 0.00 C ATOM 1708 CG2 ILE B 57 -12.916 -24.835 -4.948 1.00 0.00 C ATOM 1709 CD1 ILE B 57 -15.010 -24.158 -7.081 1.00 0.00 C ATOM 0 H ILE B 57 -12.955 -23.966 -1.764 1.00 0.00 H new ATOM 0 HA ILE B 57 -15.119 -22.864 -3.163 1.00 0.00 H new ATOM 0 HB ILE B 57 -13.637 -22.835 -5.117 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -15.597 -25.151 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -16.052 -23.460 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -12.668 -24.918 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -12.030 -24.532 -4.391 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -13.264 -25.800 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -15.931 -24.427 -7.599 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -14.694 -23.163 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -14.232 -24.881 -7.326 1.00 0.00 H new ATOM 1721 N SER B 58 -16.309 -25.014 -2.699 1.00 0.00 N ATOM 1722 CA SER B 58 -17.013 -26.208 -2.240 1.00 0.00 C ATOM 1723 C SER B 58 -18.520 -26.048 -2.411 1.00 0.00 C ATOM 1724 O SER B 58 -19.206 -26.969 -2.854 1.00 0.00 O ATOM 1725 CB SER B 58 -16.684 -26.488 -0.771 1.00 0.00 C ATOM 1726 OG SER B 58 -17.359 -27.644 -0.308 1.00 0.00 O ATOM 0 H SER B 58 -16.919 -24.235 -2.947 1.00 0.00 H new ATOM 0 HA SER B 58 -16.681 -27.051 -2.847 1.00 0.00 H new ATOM 0 HB2 SER B 58 -15.608 -26.620 -0.655 1.00 0.00 H new ATOM 0 HB3 SER B 58 -16.967 -25.630 -0.162 1.00 0.00 H new ATOM 0 HG SER B 58 -17.131 -27.802 0.632 1.00 0.00 H new ATOM 1732 N GLU B 59 -19.028 -24.870 -2.056 1.00 0.00 N ATOM 1733 CA GLU B 59 -20.455 -24.585 -2.168 1.00 0.00 C ATOM 1734 C GLU B 59 -20.740 -23.115 -1.876 1.00 0.00 C ATOM 1735 O GLU B 59 -20.191 -22.541 -0.935 1.00 0.00 O ATOM 1736 CB GLU B 59 -21.255 -25.472 -1.211 1.00 0.00 C ATOM 1737 CG GLU B 59 -20.835 -25.332 0.243 1.00 0.00 C ATOM 1738 CD GLU B 59 -21.662 -26.197 1.174 1.00 0.00 C ATOM 1739 OE1 GLU B 59 -21.697 -27.428 0.967 1.00 0.00 O ATOM 1740 OE2 GLU B 59 -22.270 -25.646 2.115 1.00 0.00 O ATOM 0 H GLU B 59 -18.472 -24.098 -1.688 1.00 0.00 H new ATOM 0 HA GLU B 59 -20.762 -24.801 -3.191 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -22.313 -25.226 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -21.143 -26.513 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -19.783 -25.601 0.341 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -20.927 -24.289 0.545 1.00 0.00 H new ATOM 1747 N ASP B 60 -21.603 -22.514 -2.691 1.00 0.00 N ATOM 1748 CA ASP B 60 -21.968 -21.109 -2.529 1.00 0.00 C ATOM 1749 C ASP B 60 -20.737 -20.214 -2.638 1.00 0.00 C ATOM 1750 O ASP B 60 -20.103 -19.949 -1.595 1.00 0.00 O ATOM 1751 CB ASP B 60 -22.661 -20.891 -1.180 1.00 0.00 C ATOM 1752 CG ASP B 60 -23.166 -19.471 -1.005 1.00 0.00 C ATOM 1753 OD1 ASP B 60 -22.345 -18.533 -1.074 1.00 0.00 O ATOM 1754 OD2 ASP B 60 -24.384 -19.297 -0.797 1.00 0.00 O ATOM 1755 OXT ASP B 60 -20.417 -19.785 -3.766 1.00 0.00 O ATOM 0 H ASP B 60 -22.064 -22.980 -3.473 1.00 0.00 H new ATOM 0 HA ASP B 60 -22.660 -20.842 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP B 60 -23.498 -21.584 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP B 60 -21.964 -21.126 -0.376 1.00 0.00 H new TER 1760 ASP B 60