USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 GLN : amide:sc= -8.45! C(o=-7.6!,f=-16!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -158:sc= 0.801 (180deg=-0.0344) USER MOD Set 2.1: A 16 GLN : amide:sc= -9.25! C(o=-15!,f=-22!) USER MOD Set 2.2: A 19 GLN : amide:sc= -5.35! C(o=-15!,f=-16!) USER MOD Set 3.1: A 18 CYS SG : rot -42:sc= 1.07 USER MOD Set 3.2: A 23 THR OG1 : rot 157:sc= 1.33 USER MOD Single : A 3 THR OG1 : rot -25:sc= 0.0558 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.742 F(o=-1.7!,f=-0.74) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.297 F(o=-2.4,f=-0.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -61:sc= -2.39! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -131:sc= -0.326 (180deg=-1.18) USER MOD Single : A 38 MET CE :methyl -177:sc= -0.496 (180deg=-0.541) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -14! C(o=-14!,f=-21!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.8 K(o=-1.8,f=-4.2!) USER MOD Single : A 55 SER OG : rot -50:sc= 0.934 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= -0.643 (180deg=-2.61!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.189 K(o=-0.19,f=-1) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.239 F(o=-2,f=-0.24) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 150:sc= 0.099 USER MOD Single : A 80 SER OG : rot 135:sc= -2.9! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 155:sc= -0.69! USER MOD Single : A 86 MET CE :methyl 159:sc= -2.94 (180deg=-3.85) USER MOD Single : A 91 ASN :FLIP amide:sc= -4.27! C(o=-5.3!,f=-4.3!) USER MOD Single : A 96 LYS NZ :NH3+ -131:sc= 0.0044 (180deg=-0.368) USER MOD Single : A 103 GLN :FLIP amide:sc= -6.7! C(o=-7.6!,f=-6.7!) USER MOD Single : A 105 MET CE :methyl -163:sc= 0 (180deg=-0.557) USER MOD Single : A 107 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=-0.079) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 6.609 -6.270 -7.773 1.00 0.00 N ATOM 34 CA THR A 3 7.493 -7.310 -8.274 1.00 0.00 C ATOM 35 C THR A 3 8.623 -6.734 -9.116 1.00 0.00 C ATOM 36 O THR A 3 9.595 -7.430 -9.407 1.00 0.00 O ATOM 37 CB THR A 3 6.718 -8.348 -9.104 1.00 0.00 C ATOM 38 OG1 THR A 3 6.068 -7.708 -10.208 1.00 0.00 O ATOM 39 CG2 THR A 3 5.687 -9.057 -8.240 1.00 0.00 C ATOM 0 HA THR A 3 7.924 -7.799 -7.401 1.00 0.00 H new ATOM 0 HB THR A 3 7.425 -9.086 -9.483 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.912 -6.764 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.148 -9.788 -8.843 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.190 -9.565 -7.417 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.984 -8.327 -7.840 1.00 0.00 H new ATOM 47 N ASP A 4 8.506 -5.462 -9.512 1.00 0.00 N ATOM 48 CA ASP A 4 9.569 -4.815 -10.281 1.00 0.00 C ATOM 49 C ASP A 4 10.909 -5.103 -9.610 1.00 0.00 C ATOM 50 O ASP A 4 11.868 -5.528 -10.253 1.00 0.00 O ATOM 51 CB ASP A 4 9.327 -3.306 -10.366 1.00 0.00 C ATOM 52 CG ASP A 4 10.355 -2.603 -11.231 1.00 0.00 C ATOM 53 OD1 ASP A 4 10.310 -2.777 -12.467 1.00 0.00 O ATOM 54 OD2 ASP A 4 11.202 -1.873 -10.674 1.00 0.00 O ATOM 0 H ASP A 4 7.699 -4.870 -9.316 1.00 0.00 H new ATOM 0 HA ASP A 4 9.576 -5.211 -11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.331 -3.123 -10.769 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.348 -2.880 -9.363 1.00 0.00 H new ATOM 59 N ILE A 5 10.952 -4.864 -8.299 1.00 0.00 N ATOM 60 CA ILE A 5 12.136 -5.148 -7.501 1.00 0.00 C ATOM 61 C ILE A 5 11.702 -5.626 -6.117 1.00 0.00 C ATOM 62 O ILE A 5 11.443 -4.824 -5.219 1.00 0.00 O ATOM 63 CB ILE A 5 13.016 -3.891 -7.333 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.059 -3.074 -8.629 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.423 -4.285 -6.906 1.00 0.00 C ATOM 66 CD1 ILE A 5 13.433 -1.626 -8.414 1.00 0.00 C ATOM 0 H ILE A 5 10.174 -4.472 -7.769 1.00 0.00 H new ATOM 0 HA ILE A 5 12.716 -5.914 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 5 12.575 -3.268 -6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.776 -3.529 -9.313 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.083 -3.122 -9.112 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.033 -3.389 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.379 -4.818 -5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.866 -4.931 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.444 -1.107 -9.372 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.703 -1.156 -7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.422 -1.569 -7.959 1.00 0.00 H new ATOM 78 N LEU A 6 11.629 -6.942 -5.960 1.00 0.00 N ATOM 79 CA LEU A 6 11.226 -7.531 -4.687 1.00 0.00 C ATOM 80 C LEU A 6 11.349 -9.048 -4.677 1.00 0.00 C ATOM 81 O LEU A 6 11.505 -9.684 -5.719 1.00 0.00 O ATOM 82 CB LEU A 6 9.786 -7.138 -4.363 1.00 0.00 C ATOM 83 CG LEU A 6 9.596 -6.409 -3.037 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.466 -4.909 -3.260 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.381 -6.952 -2.299 1.00 0.00 C ATOM 0 H LEU A 6 11.842 -7.619 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 6 11.905 -7.141 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.410 -6.504 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.173 -8.039 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 6 10.478 -6.584 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.331 -4.409 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.369 -4.533 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.605 -4.709 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.261 -6.420 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.490 -6.811 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.520 -8.015 -2.101 1.00 0.00 H new ATOM 97 N SER A 7 11.277 -9.617 -3.479 1.00 0.00 N ATOM 98 CA SER A 7 11.294 -11.062 -3.312 1.00 0.00 C ATOM 99 C SER A 7 9.873 -11.566 -3.520 1.00 0.00 C ATOM 100 O SER A 7 8.982 -11.275 -2.722 1.00 0.00 O ATOM 101 CB SER A 7 11.790 -11.449 -1.922 1.00 0.00 C ATOM 102 OG SER A 7 13.068 -10.896 -1.660 1.00 0.00 O ATOM 0 H SER A 7 11.206 -9.095 -2.606 1.00 0.00 H new ATOM 0 HA SER A 7 11.975 -11.510 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.080 -11.103 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.837 -12.535 -1.839 1.00 0.00 H new ATOM 0 HG SER A 7 13.360 -11.159 -0.762 1.00 0.00 H new ATOM 108 N ALA A 8 9.661 -12.320 -4.584 1.00 0.00 N ATOM 109 CA ALA A 8 8.330 -12.808 -4.913 1.00 0.00 C ATOM 110 C ALA A 8 7.737 -13.694 -3.820 1.00 0.00 C ATOM 111 O ALA A 8 6.570 -13.544 -3.463 1.00 0.00 O ATOM 112 CB ALA A 8 8.356 -13.554 -6.237 1.00 0.00 C ATOM 0 H ALA A 8 10.391 -12.608 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 8 7.684 -11.934 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.354 -13.914 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.694 -12.883 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.038 -14.401 -6.164 1.00 0.00 H new ATOM 118 N GLU A 9 8.523 -14.637 -3.304 1.00 0.00 N ATOM 119 CA GLU A 9 8.031 -15.546 -2.275 1.00 0.00 C ATOM 120 C GLU A 9 7.710 -14.804 -0.989 1.00 0.00 C ATOM 121 O GLU A 9 6.606 -14.910 -0.454 1.00 0.00 O ATOM 122 CB GLU A 9 9.083 -16.615 -2.000 1.00 0.00 C ATOM 123 CG GLU A 9 9.355 -17.508 -3.189 1.00 0.00 C ATOM 124 CD GLU A 9 8.155 -18.350 -3.577 1.00 0.00 C ATOM 125 OE1 GLU A 9 7.290 -17.844 -4.322 1.00 0.00 O ATOM 126 OE2 GLU A 9 8.081 -19.516 -3.134 1.00 0.00 O ATOM 0 H GLU A 9 9.493 -14.790 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 9 7.113 -16.008 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.012 -16.131 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.756 -17.229 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.652 -16.894 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.195 -18.164 -2.961 1.00 0.00 H new ATOM 133 N ASP A 10 8.685 -14.055 -0.495 1.00 0.00 N ATOM 134 CA ASP A 10 8.493 -13.275 0.715 1.00 0.00 C ATOM 135 C ASP A 10 7.268 -12.405 0.611 1.00 0.00 C ATOM 136 O ASP A 10 6.641 -12.113 1.613 1.00 0.00 O ATOM 137 CB ASP A 10 9.726 -12.423 1.002 1.00 0.00 C ATOM 138 CG ASP A 10 10.935 -13.259 1.374 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.076 -13.602 2.566 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.742 -13.569 0.473 1.00 0.00 O ATOM 0 H ASP A 10 9.612 -13.972 -0.912 1.00 0.00 H new ATOM 0 HA ASP A 10 8.346 -13.969 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.960 -11.821 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.504 -11.730 1.813 1.00 0.00 H new ATOM 145 N ILE A 11 6.904 -12.023 -0.596 1.00 0.00 N ATOM 146 CA ILE A 11 5.731 -11.190 -0.781 1.00 0.00 C ATOM 147 C ILE A 11 4.493 -11.937 -0.286 1.00 0.00 C ATOM 148 O ILE A 11 3.709 -11.412 0.506 1.00 0.00 O ATOM 149 CB ILE A 11 5.592 -10.786 -2.275 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.276 -9.445 -2.533 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.139 -10.731 -2.753 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.387 -9.121 -4.006 1.00 0.00 C ATOM 0 H ILE A 11 7.396 -12.272 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 11 5.835 -10.274 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 11 6.086 -11.569 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.717 -8.654 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.273 -9.459 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.112 -10.443 -3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.679 -11.712 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.589 -9.999 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.881 -8.157 -4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.970 -9.895 -4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.390 -9.077 -4.445 1.00 0.00 H new ATOM 164 N ALA A 12 4.328 -13.167 -0.759 1.00 0.00 N ATOM 165 CA ALA A 12 3.184 -13.972 -0.372 1.00 0.00 C ATOM 166 C ALA A 12 3.141 -14.142 1.127 1.00 0.00 C ATOM 167 O ALA A 12 2.125 -13.877 1.745 1.00 0.00 O ATOM 168 CB ALA A 12 3.225 -15.326 -1.048 1.00 0.00 C ATOM 0 H ALA A 12 4.970 -13.623 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 12 2.281 -13.453 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.358 -15.911 -0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.211 -15.193 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.136 -15.850 -0.759 1.00 0.00 H new ATOM 174 N ALA A 13 4.244 -14.576 1.715 1.00 0.00 N ATOM 175 CA ALA A 13 4.290 -14.743 3.160 1.00 0.00 C ATOM 176 C ALA A 13 4.102 -13.390 3.827 1.00 0.00 C ATOM 177 O ALA A 13 3.263 -13.216 4.712 1.00 0.00 O ATOM 178 CB ALA A 13 5.606 -15.370 3.588 1.00 0.00 C ATOM 0 H ALA A 13 5.106 -14.816 1.225 1.00 0.00 H new ATOM 0 HA ALA A 13 3.487 -15.412 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.619 -15.485 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.713 -16.347 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.432 -14.728 3.282 1.00 0.00 H new ATOM 184 N ALA A 14 4.910 -12.436 3.378 1.00 0.00 N ATOM 185 CA ALA A 14 4.851 -11.070 3.887 1.00 0.00 C ATOM 186 C ALA A 14 3.414 -10.585 3.923 1.00 0.00 C ATOM 187 O ALA A 14 2.963 -10.012 4.916 1.00 0.00 O ATOM 188 CB ALA A 14 5.683 -10.139 3.015 1.00 0.00 C ATOM 0 H ALA A 14 5.618 -12.585 2.658 1.00 0.00 H new ATOM 0 HA ALA A 14 5.257 -11.064 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.627 -9.124 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.721 -10.472 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.297 -10.154 1.996 1.00 0.00 H new ATOM 194 N LEU A 15 2.699 -10.817 2.836 1.00 0.00 N ATOM 195 CA LEU A 15 1.310 -10.416 2.755 1.00 0.00 C ATOM 196 C LEU A 15 0.431 -11.375 3.542 1.00 0.00 C ATOM 197 O LEU A 15 -0.210 -10.995 4.515 1.00 0.00 O ATOM 198 CB LEU A 15 0.831 -10.380 1.302 1.00 0.00 C ATOM 199 CG LEU A 15 -0.432 -9.538 1.039 1.00 0.00 C ATOM 200 CD1 LEU A 15 -1.106 -9.972 -0.252 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.415 -9.620 2.199 1.00 0.00 C ATOM 0 H LEU A 15 3.058 -11.280 2.001 1.00 0.00 H new ATOM 0 HA LEU A 15 1.233 -9.415 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.639 -9.994 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.639 -11.402 0.976 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.116 -8.499 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.996 -9.365 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.415 -9.841 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.391 -11.022 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.293 -9.013 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.718 -10.657 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.939 -9.249 3.107 1.00 0.00 H new ATOM 213 N GLN A 16 0.474 -12.641 3.149 1.00 0.00 N ATOM 214 CA GLN A 16 -0.361 -13.694 3.713 1.00 0.00 C ATOM 215 C GLN A 16 -0.092 -13.996 5.181 1.00 0.00 C ATOM 216 O GLN A 16 -0.789 -14.820 5.771 1.00 0.00 O ATOM 217 CB GLN A 16 -0.137 -14.964 2.909 1.00 0.00 C ATOM 218 CG GLN A 16 -0.623 -14.900 1.465 1.00 0.00 C ATOM 219 CD GLN A 16 -0.925 -13.501 0.932 1.00 0.00 C ATOM 220 OE1 GLN A 16 -1.579 -12.690 1.584 1.00 0.00 O ATOM 221 NE2 GLN A 16 -0.435 -13.217 -0.260 1.00 0.00 N ATOM 0 H GLN A 16 1.102 -12.971 2.416 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.389 -13.337 3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.928 -15.194 2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.642 -15.789 3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.132 -15.358 0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.525 -15.506 1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.103 -13.917 -0.770 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.594 -12.297 -0.671 1.00 0.00 H new ATOM 230 N GLU A 17 0.898 -13.355 5.787 1.00 0.00 N ATOM 231 CA GLU A 17 1.214 -13.681 7.164 1.00 0.00 C ATOM 232 C GLU A 17 0.047 -13.390 8.092 1.00 0.00 C ATOM 233 O GLU A 17 -0.618 -14.311 8.566 1.00 0.00 O ATOM 234 CB GLU A 17 2.441 -12.910 7.623 1.00 0.00 C ATOM 235 CG GLU A 17 2.831 -13.226 9.052 1.00 0.00 C ATOM 236 CD GLU A 17 2.817 -14.713 9.357 1.00 0.00 C ATOM 237 OE1 GLU A 17 1.747 -15.230 9.742 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.875 -15.358 9.210 1.00 0.00 O ATOM 0 H GLU A 17 1.477 -12.631 5.362 1.00 0.00 H new ATOM 0 HA GLU A 17 1.421 -14.750 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.277 -13.141 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.248 -11.841 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.828 -12.830 9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.148 -12.715 9.730 1.00 0.00 H new ATOM 245 N CYS A 18 -0.207 -12.117 8.352 1.00 0.00 N ATOM 246 CA CYS A 18 -1.299 -11.698 9.221 1.00 0.00 C ATOM 247 C CYS A 18 -2.431 -11.034 8.442 1.00 0.00 C ATOM 248 O CYS A 18 -3.413 -10.603 9.038 1.00 0.00 O ATOM 249 CB CYS A 18 -0.772 -10.734 10.277 1.00 0.00 C ATOM 250 SG CYS A 18 -1.843 -10.565 11.725 1.00 0.00 S ATOM 0 H CYS A 18 0.337 -11.345 7.967 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.704 -12.592 9.695 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.211 -11.072 10.604 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.637 -9.753 9.822 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.083 -10.490 11.341 1.00 0.00 H new ATOM 256 N GLN A 19 -2.313 -10.981 7.116 1.00 0.00 N ATOM 257 CA GLN A 19 -3.272 -10.241 6.296 1.00 0.00 C ATOM 258 C GLN A 19 -4.715 -10.477 6.713 1.00 0.00 C ATOM 259 O GLN A 19 -5.118 -11.574 7.096 1.00 0.00 O ATOM 260 CB GLN A 19 -3.107 -10.614 4.825 1.00 0.00 C ATOM 261 CG GLN A 19 -4.151 -10.012 3.894 1.00 0.00 C ATOM 262 CD GLN A 19 -4.153 -10.674 2.528 1.00 0.00 C ATOM 263 OE1 GLN A 19 -3.997 -11.890 2.418 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.303 -9.874 1.476 1.00 0.00 N ATOM 0 H GLN A 19 -1.569 -11.438 6.589 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.055 -9.183 6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.118 -10.297 4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.142 -11.700 4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.138 -10.112 4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.960 -8.945 3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.430 -8.871 1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.291 -10.263 0.533 1.00 0.00 H new ATOM 273 N ASP A 20 -5.466 -9.388 6.611 1.00 0.00 N ATOM 274 CA ASP A 20 -6.876 -9.338 6.963 1.00 0.00 C ATOM 275 C ASP A 20 -7.340 -7.889 6.894 1.00 0.00 C ATOM 276 O ASP A 20 -6.517 -6.975 6.882 1.00 0.00 O ATOM 277 CB ASP A 20 -7.118 -9.905 8.366 1.00 0.00 C ATOM 278 CG ASP A 20 -7.461 -11.382 8.347 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.534 -11.736 7.815 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.659 -12.185 8.869 1.00 0.00 O ATOM 0 H ASP A 20 -5.102 -8.497 6.274 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.443 -9.949 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.227 -9.750 8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.929 -9.354 8.842 1.00 0.00 H new ATOM 285 N PRO A 21 -8.652 -7.652 6.849 1.00 0.00 N ATOM 286 CA PRO A 21 -9.193 -6.300 6.793 1.00 0.00 C ATOM 287 C PRO A 21 -9.061 -5.579 8.131 1.00 0.00 C ATOM 288 O PRO A 21 -10.067 -5.322 8.787 1.00 0.00 O ATOM 289 CB PRO A 21 -10.657 -6.538 6.456 1.00 0.00 C ATOM 290 CG PRO A 21 -10.963 -7.864 7.038 1.00 0.00 C ATOM 291 CD PRO A 21 -9.717 -8.670 6.851 1.00 0.00 C ATOM 0 HA PRO A 21 -8.671 -5.667 6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.293 -5.762 6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.822 -6.530 5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.224 -7.781 8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.812 -8.328 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.581 -9.393 7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.738 -9.232 5.917 1.00 0.00 H new ATOM 299 N ASP A 22 -7.808 -5.265 8.527 1.00 0.00 N ATOM 300 CA ASP A 22 -7.522 -4.570 9.806 1.00 0.00 C ATOM 301 C ASP A 22 -6.079 -4.799 10.314 1.00 0.00 C ATOM 302 O ASP A 22 -5.675 -4.177 11.296 1.00 0.00 O ATOM 303 CB ASP A 22 -8.516 -5.008 10.900 1.00 0.00 C ATOM 304 CG ASP A 22 -8.111 -4.593 12.309 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.193 -5.227 12.872 1.00 0.00 O ATOM 306 OD2 ASP A 22 -8.716 -3.643 12.847 1.00 0.00 O ATOM 0 H ASP A 22 -6.975 -5.482 7.979 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.635 -3.506 9.598 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.496 -4.586 10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.621 -6.092 10.868 1.00 0.00 H new ATOM 311 N THR A 23 -5.298 -5.667 9.666 1.00 0.00 N ATOM 312 CA THR A 23 -3.943 -5.955 10.149 1.00 0.00 C ATOM 313 C THR A 23 -2.816 -5.241 9.391 1.00 0.00 C ATOM 314 O THR A 23 -1.898 -4.743 10.028 1.00 0.00 O ATOM 315 CB THR A 23 -3.661 -7.465 10.108 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.315 -7.726 10.526 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.878 -8.013 8.706 1.00 0.00 C ATOM 0 H THR A 23 -5.571 -6.173 8.824 1.00 0.00 H new ATOM 0 HA THR A 23 -3.936 -5.570 11.169 1.00 0.00 H new ATOM 0 HB THR A 23 -4.352 -7.962 10.789 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.245 -8.650 10.845 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.673 -9.084 8.698 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.910 -7.839 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.206 -7.510 8.011 1.00 0.00 H new ATOM 325 N PHE A 24 -2.918 -5.173 8.053 1.00 0.00 N ATOM 326 CA PHE A 24 -1.878 -4.574 7.178 1.00 0.00 C ATOM 327 C PHE A 24 -1.681 -5.447 5.954 1.00 0.00 C ATOM 328 O PHE A 24 -0.684 -6.155 5.843 1.00 0.00 O ATOM 329 CB PHE A 24 -0.503 -4.411 7.858 1.00 0.00 C ATOM 330 CG PHE A 24 -0.288 -3.079 8.536 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.430 -1.893 7.828 1.00 0.00 C ATOM 332 CD2 PHE A 24 0.065 -3.011 9.877 1.00 0.00 C ATOM 333 CE1 PHE A 24 -0.228 -0.673 8.444 1.00 0.00 C ATOM 334 CE2 PHE A 24 0.268 -1.793 10.495 1.00 0.00 C ATOM 335 CZ PHE A 24 0.122 -0.622 9.778 1.00 0.00 C ATOM 0 H PHE A 24 -3.723 -5.531 7.540 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.244 -3.579 6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.382 -5.203 8.597 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.276 -4.552 7.109 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.702 -1.925 6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.182 -3.923 10.444 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.344 0.241 7.881 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.541 -1.756 11.539 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.281 0.331 10.260 1.00 0.00 H new ATOM 345 N GLU A 25 -2.628 -5.406 5.040 1.00 0.00 N ATOM 346 CA GLU A 25 -2.536 -6.211 3.835 1.00 0.00 C ATOM 347 C GLU A 25 -1.481 -5.682 2.858 1.00 0.00 C ATOM 348 O GLU A 25 -0.754 -6.470 2.252 1.00 0.00 O ATOM 349 CB GLU A 25 -3.895 -6.274 3.158 1.00 0.00 C ATOM 350 CG GLU A 25 -5.019 -6.592 4.123 1.00 0.00 C ATOM 351 CD GLU A 25 -6.340 -6.836 3.423 1.00 0.00 C ATOM 352 OE1 GLU A 25 -6.318 -7.261 2.249 1.00 0.00 O ATOM 353 OE2 GLU A 25 -7.396 -6.606 4.048 1.00 0.00 O ATOM 0 H GLU A 25 -3.466 -4.828 5.105 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.222 -7.212 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.098 -5.319 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.870 -7.031 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.753 -7.474 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.132 -5.767 4.827 1.00 0.00 H new ATOM 360 N PRO A 26 -1.372 -4.352 2.682 1.00 0.00 N ATOM 361 CA PRO A 26 -0.398 -3.769 1.773 1.00 0.00 C ATOM 362 C PRO A 26 0.975 -3.558 2.416 1.00 0.00 C ATOM 363 O PRO A 26 1.996 -3.995 1.887 1.00 0.00 O ATOM 364 CB PRO A 26 -1.015 -2.423 1.400 1.00 0.00 C ATOM 365 CG PRO A 26 -1.985 -2.091 2.482 1.00 0.00 C ATOM 366 CD PRO A 26 -2.189 -3.323 3.333 1.00 0.00 C ATOM 0 HA PRO A 26 -0.210 -4.425 0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.247 -1.654 1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.516 -2.480 0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.608 -1.268 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.933 -1.764 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.870 -3.153 4.361 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.239 -3.612 3.369 1.00 0.00 H new ATOM 374 N GLN A 27 0.987 -2.880 3.556 1.00 0.00 N ATOM 375 CA GLN A 27 2.227 -2.579 4.270 1.00 0.00 C ATOM 376 C GLN A 27 3.048 -3.827 4.593 1.00 0.00 C ATOM 377 O GLN A 27 4.275 -3.811 4.491 1.00 0.00 O ATOM 378 CB GLN A 27 1.912 -1.829 5.561 1.00 0.00 C ATOM 379 CG GLN A 27 1.250 -0.483 5.335 1.00 0.00 C ATOM 380 CD GLN A 27 2.200 0.530 4.733 1.00 0.00 C ATOM 381 OE1 GLN A 27 2.931 1.228 5.591 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 2.281 0.678 3.513 1.00 0.00 N flip ATOM 0 H GLN A 27 0.146 -2.524 4.011 1.00 0.00 H new ATOM 0 HA GLN A 27 2.830 -1.960 3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.260 -2.446 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.836 -1.681 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.391 -0.609 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.871 -0.103 6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.698 0.118 2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.931 1.361 3.124 1.00 0.00 H new ATOM 391 N LYS A 28 2.376 -4.903 4.980 1.00 0.00 N ATOM 392 CA LYS A 28 3.055 -6.129 5.319 1.00 0.00 C ATOM 393 C LYS A 28 3.671 -6.724 4.066 1.00 0.00 C ATOM 394 O LYS A 28 4.809 -7.193 4.069 1.00 0.00 O ATOM 395 CB LYS A 28 2.060 -7.097 5.934 1.00 0.00 C ATOM 396 CG LYS A 28 1.671 -6.758 7.356 1.00 0.00 C ATOM 397 CD LYS A 28 2.436 -7.612 8.351 1.00 0.00 C ATOM 398 CE LYS A 28 1.930 -7.406 9.766 1.00 0.00 C ATOM 399 NZ LYS A 28 2.732 -8.169 10.761 1.00 0.00 N ATOM 0 H LYS A 28 1.360 -4.943 5.064 1.00 0.00 H new ATOM 0 HA LYS A 28 3.848 -5.932 6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.161 -7.119 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.485 -8.101 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.869 -5.704 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.600 -6.910 7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.340 -8.663 8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.497 -7.366 8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.962 -6.345 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.887 -7.716 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.353 -8.001 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.681 -9.185 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.723 -7.856 10.722 1.00 0.00 H new ATOM 413 N PHE A 29 2.894 -6.689 2.996 1.00 0.00 N ATOM 414 CA PHE A 29 3.326 -7.181 1.700 1.00 0.00 C ATOM 415 C PHE A 29 4.649 -6.531 1.329 1.00 0.00 C ATOM 416 O PHE A 29 5.618 -7.201 0.973 1.00 0.00 O ATOM 417 CB PHE A 29 2.248 -6.822 0.663 1.00 0.00 C ATOM 418 CG PHE A 29 2.490 -7.310 -0.743 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.599 -6.905 -1.469 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.577 -8.157 -1.350 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.787 -7.341 -2.768 1.00 0.00 C ATOM 422 CE2 PHE A 29 1.763 -8.596 -2.644 1.00 0.00 C ATOM 423 CZ PHE A 29 2.870 -8.187 -3.354 1.00 0.00 C ATOM 0 H PHE A 29 1.944 -6.318 3.003 1.00 0.00 H new ATOM 0 HA PHE A 29 3.464 -8.262 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.295 -7.224 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.145 -5.737 0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.323 -6.243 -1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.705 -8.479 -0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.654 -7.018 -3.325 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.042 -9.259 -3.100 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.019 -8.528 -4.368 1.00 0.00 H new ATOM 433 N PHE A 30 4.661 -5.210 1.419 1.00 0.00 N ATOM 434 CA PHE A 30 5.826 -4.418 1.077 1.00 0.00 C ATOM 435 C PHE A 30 6.969 -4.574 2.078 1.00 0.00 C ATOM 436 O PHE A 30 8.045 -5.049 1.737 1.00 0.00 O ATOM 437 CB PHE A 30 5.444 -2.940 1.021 1.00 0.00 C ATOM 438 CG PHE A 30 4.052 -2.667 0.531 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.433 -3.511 -0.372 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.357 -1.560 0.995 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.146 -3.258 -0.802 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.072 -1.301 0.564 1.00 0.00 C ATOM 443 CZ PHE A 30 1.465 -2.152 -0.336 1.00 0.00 C ATOM 0 H PHE A 30 3.861 -4.659 1.732 1.00 0.00 H new ATOM 0 HA PHE A 30 6.172 -4.780 0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.553 -2.513 2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.150 -2.421 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.961 -4.376 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.827 -0.893 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.671 -3.927 -1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.543 -0.434 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.459 -1.953 -0.675 1.00 0.00 H new ATOM 453 N GLN A 31 6.690 -4.229 3.332 1.00 0.00 N ATOM 454 CA GLN A 31 7.704 -4.223 4.387 1.00 0.00 C ATOM 455 C GLN A 31 8.398 -5.552 4.598 1.00 0.00 C ATOM 456 O GLN A 31 9.589 -5.685 4.322 1.00 0.00 O ATOM 457 CB GLN A 31 7.058 -3.780 5.702 1.00 0.00 C ATOM 458 CG GLN A 31 8.060 -3.324 6.751 1.00 0.00 C ATOM 459 CD GLN A 31 8.335 -1.831 6.696 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.244 -1.242 5.506 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.630 -1.210 7.718 1.00 0.00 N flip ATOM 0 H GLN A 31 5.761 -3.947 3.646 1.00 0.00 H new ATOM 0 HA GLN A 31 8.476 -3.526 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.362 -2.966 5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.473 -4.606 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.685 -3.583 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.995 -3.866 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.690 -1.698 8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.815 -0.208 7.670 1.00 0.00 H new ATOM 470 N THR A 32 7.665 -6.528 5.068 1.00 0.00 N ATOM 471 CA THR A 32 8.246 -7.831 5.354 1.00 0.00 C ATOM 472 C THR A 32 9.103 -8.344 4.191 1.00 0.00 C ATOM 473 O THR A 32 10.272 -8.682 4.375 1.00 0.00 O ATOM 474 CB THR A 32 7.155 -8.861 5.706 1.00 0.00 C ATOM 475 OG1 THR A 32 6.479 -8.462 6.905 1.00 0.00 O ATOM 476 CG2 THR A 32 7.742 -10.254 5.897 1.00 0.00 C ATOM 0 H THR A 32 6.667 -6.454 5.263 1.00 0.00 H new ATOM 0 HA THR A 32 8.898 -7.703 6.218 1.00 0.00 H new ATOM 0 HB THR A 32 6.451 -8.898 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.785 -9.119 7.124 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.944 -10.954 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.232 -10.572 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.471 -10.234 6.707 1.00 0.00 H new ATOM 484 N SER A 33 8.518 -8.403 3.000 1.00 0.00 N ATOM 485 CA SER A 33 9.220 -8.907 1.823 1.00 0.00 C ATOM 486 C SER A 33 10.147 -7.887 1.156 1.00 0.00 C ATOM 487 O SER A 33 11.354 -8.110 1.050 1.00 0.00 O ATOM 488 CB SER A 33 8.213 -9.441 0.806 1.00 0.00 C ATOM 489 OG SER A 33 8.867 -10.026 -0.305 1.00 0.00 O ATOM 0 H SER A 33 7.558 -8.108 2.823 1.00 0.00 H new ATOM 0 HA SER A 33 9.867 -9.708 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.569 -10.180 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.570 -8.629 0.466 1.00 0.00 H new ATOM 0 HG SER A 33 9.415 -9.350 -0.756 1.00 0.00 H new ATOM 495 N GLY A 34 9.578 -6.771 0.709 1.00 0.00 N ATOM 496 CA GLY A 34 10.368 -5.805 -0.039 1.00 0.00 C ATOM 497 C GLY A 34 10.916 -4.595 0.707 1.00 0.00 C ATOM 498 O GLY A 34 12.121 -4.482 0.915 1.00 0.00 O ATOM 0 H GLY A 34 8.599 -6.519 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.212 -6.335 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.755 -5.439 -0.863 1.00 0.00 H new ATOM 502 N LEU A 35 10.026 -3.718 1.140 1.00 0.00 N ATOM 503 CA LEU A 35 10.405 -2.464 1.784 1.00 0.00 C ATOM 504 C LEU A 35 11.511 -2.644 2.827 1.00 0.00 C ATOM 505 O LEU A 35 12.424 -1.823 2.917 1.00 0.00 O ATOM 506 CB LEU A 35 9.164 -1.832 2.421 1.00 0.00 C ATOM 507 CG LEU A 35 8.608 -0.602 1.695 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.503 -0.867 0.201 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.249 -0.218 2.261 1.00 0.00 C ATOM 0 H LEU A 35 9.018 -3.852 1.057 1.00 0.00 H new ATOM 0 HA LEU A 35 10.811 -1.805 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.379 -2.587 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.406 -1.550 3.446 1.00 0.00 H new ATOM 0 HG LEU A 35 9.296 0.229 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.106 0.017 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.491 -1.097 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.836 -1.712 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.869 0.657 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.554 -1.048 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.349 0.012 3.322 1.00 0.00 H new ATOM 521 N SER A 36 11.417 -3.709 3.612 1.00 0.00 N ATOM 522 CA SER A 36 12.401 -4.002 4.661 1.00 0.00 C ATOM 523 C SER A 36 13.837 -3.600 4.294 1.00 0.00 C ATOM 524 O SER A 36 14.560 -3.070 5.139 1.00 0.00 O ATOM 525 CB SER A 36 12.369 -5.491 5.011 1.00 0.00 C ATOM 526 OG SER A 36 13.409 -5.826 5.914 1.00 0.00 O ATOM 0 H SER A 36 10.664 -4.394 3.545 1.00 0.00 H new ATOM 0 HA SER A 36 12.112 -3.396 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.405 -5.743 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.468 -6.084 4.102 1.00 0.00 H new ATOM 0 HG SER A 36 13.365 -6.783 6.123 1.00 0.00 H new ATOM 532 N LYS A 37 14.260 -3.842 3.054 1.00 0.00 N ATOM 533 CA LYS A 37 15.631 -3.507 2.657 1.00 0.00 C ATOM 534 C LYS A 37 15.723 -3.005 1.216 1.00 0.00 C ATOM 535 O LYS A 37 16.551 -3.485 0.442 1.00 0.00 O ATOM 536 CB LYS A 37 16.515 -4.740 2.811 1.00 0.00 C ATOM 537 CG LYS A 37 16.130 -5.609 3.988 1.00 0.00 C ATOM 538 CD LYS A 37 17.004 -6.837 4.081 1.00 0.00 C ATOM 539 CE LYS A 37 17.016 -7.624 2.779 1.00 0.00 C ATOM 540 NZ LYS A 37 18.150 -7.228 1.895 1.00 0.00 N ATOM 0 H LYS A 37 13.689 -4.260 2.319 1.00 0.00 H new ATOM 0 HA LYS A 37 15.967 -2.700 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.462 -5.333 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.552 -4.423 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.212 -5.032 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.087 -5.910 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.022 -6.540 4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.647 -7.476 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.084 -8.689 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.075 -7.467 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.795 -7.048 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.595 -6.365 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.852 -7.995 1.867 1.00 0.00 H new ATOM 554 N MET A 38 14.883 -2.045 0.855 1.00 0.00 N ATOM 555 CA MET A 38 14.897 -1.510 -0.495 1.00 0.00 C ATOM 556 C MET A 38 15.117 0.000 -0.529 1.00 0.00 C ATOM 557 O MET A 38 14.719 0.722 0.385 1.00 0.00 O ATOM 558 CB MET A 38 13.586 -1.850 -1.173 1.00 0.00 C ATOM 559 CG MET A 38 13.288 -3.335 -1.192 1.00 0.00 C ATOM 560 SD MET A 38 13.950 -4.166 -2.647 1.00 0.00 S ATOM 561 CE MET A 38 13.693 -5.881 -2.202 1.00 0.00 C ATOM 0 H MET A 38 14.189 -1.625 1.474 1.00 0.00 H new ATOM 0 HA MET A 38 15.736 -1.965 -1.022 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.775 -1.330 -0.662 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.608 -1.478 -2.197 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.705 -3.795 -0.296 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.209 -3.484 -1.154 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.102 -6.524 -2.981 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.195 -6.091 -1.258 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.625 -6.073 -2.096 1.00 0.00 H new ATOM 571 N SER A 39 15.758 0.464 -1.604 1.00 0.00 N ATOM 572 CA SER A 39 16.031 1.882 -1.792 1.00 0.00 C ATOM 573 C SER A 39 14.746 2.639 -2.111 1.00 0.00 C ATOM 574 O SER A 39 13.704 2.028 -2.318 1.00 0.00 O ATOM 575 CB SER A 39 17.053 2.083 -2.912 1.00 0.00 C ATOM 576 OG SER A 39 18.276 1.437 -2.609 1.00 0.00 O ATOM 0 H SER A 39 16.098 -0.130 -2.360 1.00 0.00 H new ATOM 0 HA SER A 39 16.444 2.277 -0.864 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.653 1.691 -3.847 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.228 3.148 -3.061 1.00 0.00 H new ATOM 0 HG SER A 39 18.911 1.579 -3.341 1.00 0.00 H new ATOM 582 N ALA A 40 14.827 3.966 -2.139 1.00 0.00 N ATOM 583 CA ALA A 40 13.660 4.805 -2.422 1.00 0.00 C ATOM 584 C ALA A 40 13.105 4.606 -3.839 1.00 0.00 C ATOM 585 O ALA A 40 11.895 4.505 -4.033 1.00 0.00 O ATOM 586 CB ALA A 40 13.986 6.272 -2.188 1.00 0.00 C ATOM 0 H ALA A 40 15.688 4.487 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 40 12.880 4.490 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.107 6.879 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.282 6.418 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.804 6.572 -2.843 1.00 0.00 H new ATOM 592 N SER A 41 13.994 4.556 -4.829 1.00 0.00 N ATOM 593 CA SER A 41 13.590 4.423 -6.228 1.00 0.00 C ATOM 594 C SER A 41 12.585 3.298 -6.446 1.00 0.00 C ATOM 595 O SER A 41 11.472 3.534 -6.915 1.00 0.00 O ATOM 596 CB SER A 41 14.820 4.185 -7.105 1.00 0.00 C ATOM 597 OG SER A 41 15.695 5.299 -7.067 1.00 0.00 O ATOM 0 H SER A 41 15.003 4.606 -4.688 1.00 0.00 H new ATOM 0 HA SER A 41 13.100 5.356 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.346 3.293 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.508 3.998 -8.132 1.00 0.00 H new ATOM 0 HG SER A 41 16.475 5.122 -7.634 1.00 0.00 H new ATOM 603 N GLN A 42 12.977 2.080 -6.108 1.00 0.00 N ATOM 604 CA GLN A 42 12.097 0.926 -6.291 1.00 0.00 C ATOM 605 C GLN A 42 10.743 1.156 -5.632 1.00 0.00 C ATOM 606 O GLN A 42 9.729 0.602 -6.054 1.00 0.00 O ATOM 607 CB GLN A 42 12.746 -0.332 -5.730 1.00 0.00 C ATOM 608 CG GLN A 42 12.989 -0.272 -4.241 1.00 0.00 C ATOM 609 CD GLN A 42 11.775 -0.681 -3.429 1.00 0.00 C ATOM 610 OE1 GLN A 42 11.032 0.160 -2.928 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.561 -1.985 -3.306 1.00 0.00 N ATOM 0 H GLN A 42 13.890 1.861 -5.709 1.00 0.00 H new ATOM 0 HA GLN A 42 11.936 0.795 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.110 -1.189 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.695 -0.499 -6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.826 -0.923 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.279 0.742 -3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.203 -2.650 -3.738 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.755 -2.322 -2.780 1.00 0.00 H new ATOM 620 N VAL A 43 10.742 1.993 -4.608 1.00 0.00 N ATOM 621 CA VAL A 43 9.509 2.298 -3.893 1.00 0.00 C ATOM 622 C VAL A 43 8.504 2.903 -4.856 1.00 0.00 C ATOM 623 O VAL A 43 7.297 2.757 -4.689 1.00 0.00 O ATOM 624 CB VAL A 43 9.715 3.272 -2.723 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.484 3.296 -1.837 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.947 2.903 -1.921 1.00 0.00 C ATOM 0 H VAL A 43 11.571 2.470 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 43 9.146 1.358 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 43 9.869 4.271 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.643 3.990 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.622 3.618 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.301 2.297 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.070 3.608 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.833 1.895 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.825 2.940 -2.566 1.00 0.00 H new ATOM 636 N LYS A 44 9.017 3.597 -5.861 1.00 0.00 N ATOM 637 CA LYS A 44 8.168 4.199 -6.877 1.00 0.00 C ATOM 638 C LYS A 44 7.293 3.127 -7.507 1.00 0.00 C ATOM 639 O LYS A 44 6.082 3.298 -7.653 1.00 0.00 O ATOM 640 CB LYS A 44 9.016 4.878 -7.955 1.00 0.00 C ATOM 641 CG LYS A 44 9.596 6.218 -7.532 1.00 0.00 C ATOM 642 CD LYS A 44 10.854 6.559 -8.319 1.00 0.00 C ATOM 643 CE LYS A 44 10.645 6.393 -9.816 1.00 0.00 C ATOM 644 NZ LYS A 44 11.861 6.764 -10.593 1.00 0.00 N ATOM 0 H LYS A 44 10.016 3.757 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 44 7.539 4.955 -6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.833 4.212 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.405 5.023 -8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.851 7.000 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.828 6.195 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.150 7.586 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.672 5.917 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.378 5.359 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.807 7.012 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.676 6.637 -11.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.102 7.758 -10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.655 6.156 -10.307 1.00 0.00 H new ATOM 658 N ASP A 45 7.923 2.015 -7.873 1.00 0.00 N ATOM 659 CA ASP A 45 7.210 0.897 -8.472 1.00 0.00 C ATOM 660 C ASP A 45 6.311 0.248 -7.433 1.00 0.00 C ATOM 661 O ASP A 45 5.159 -0.082 -7.715 1.00 0.00 O ATOM 662 CB ASP A 45 8.196 -0.129 -9.035 1.00 0.00 C ATOM 663 CG ASP A 45 7.949 -0.422 -10.502 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.058 -1.244 -10.802 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.647 0.172 -11.352 1.00 0.00 O ATOM 0 H ASP A 45 8.926 1.866 -7.764 1.00 0.00 H new ATOM 0 HA ASP A 45 6.597 1.269 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.213 0.241 -8.907 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.119 -1.054 -8.464 1.00 0.00 H new ATOM 670 N ILE A 46 6.842 0.065 -6.225 1.00 0.00 N ATOM 671 CA ILE A 46 6.075 -0.515 -5.143 1.00 0.00 C ATOM 672 C ILE A 46 4.828 0.327 -4.901 1.00 0.00 C ATOM 673 O ILE A 46 3.713 -0.182 -4.905 1.00 0.00 O ATOM 674 CB ILE A 46 6.946 -0.632 -3.880 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.802 -1.878 -4.013 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.123 -0.674 -2.598 1.00 0.00 C ATOM 677 CD1 ILE A 46 9.098 -1.644 -4.749 1.00 0.00 C ATOM 0 H ILE A 46 7.800 0.312 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 46 5.756 -1.523 -5.410 1.00 0.00 H new ATOM 0 HB ILE A 46 7.570 0.258 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.023 -2.265 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.231 -2.647 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.790 -0.757 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.535 0.240 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.455 -1.535 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.658 -2.578 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.885 -1.287 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.689 -0.899 -4.217 1.00 0.00 H new ATOM 689 N PHE A 47 5.047 1.616 -4.656 1.00 0.00 N ATOM 690 CA PHE A 47 3.973 2.590 -4.454 1.00 0.00 C ATOM 691 C PHE A 47 2.757 2.278 -5.323 1.00 0.00 C ATOM 692 O PHE A 47 1.610 2.427 -4.902 1.00 0.00 O ATOM 693 CB PHE A 47 4.543 3.977 -4.798 1.00 0.00 C ATOM 694 CG PHE A 47 3.557 4.985 -5.324 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.641 5.586 -4.484 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.558 5.328 -6.667 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.741 6.510 -4.973 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.660 6.252 -7.162 1.00 0.00 C ATOM 699 CZ PHE A 47 1.749 6.844 -6.312 1.00 0.00 C ATOM 0 H PHE A 47 5.982 2.019 -4.591 1.00 0.00 H new ATOM 0 HA PHE A 47 3.631 2.555 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.010 4.388 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.332 3.850 -5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.629 5.330 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.270 4.866 -7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.028 6.973 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.671 6.510 -8.211 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.044 7.567 -6.694 1.00 0.00 H new ATOM 709 N ARG A 48 3.038 1.849 -6.532 1.00 0.00 N ATOM 710 CA ARG A 48 1.997 1.530 -7.499 1.00 0.00 C ATOM 711 C ARG A 48 1.016 0.487 -6.965 1.00 0.00 C ATOM 712 O ARG A 48 -0.095 0.356 -7.479 1.00 0.00 O ATOM 713 CB ARG A 48 2.621 1.048 -8.804 1.00 0.00 C ATOM 714 CG ARG A 48 3.607 2.042 -9.390 1.00 0.00 C ATOM 715 CD ARG A 48 3.018 3.443 -9.452 1.00 0.00 C ATOM 716 NE ARG A 48 3.903 4.376 -10.142 1.00 0.00 N ATOM 717 CZ ARG A 48 3.965 4.493 -11.465 1.00 0.00 C ATOM 718 NH1 ARG A 48 3.200 3.732 -12.237 1.00 0.00 N ATOM 719 NH2 ARG A 48 4.793 5.368 -12.017 1.00 0.00 N ATOM 0 H ARG A 48 3.987 1.710 -6.878 1.00 0.00 H new ATOM 0 HA ARG A 48 1.432 2.444 -7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.129 0.100 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.831 0.857 -9.530 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.515 2.054 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.895 1.723 -10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.056 3.410 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.829 3.802 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 48 4.508 4.972 -9.577 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.563 3.056 -11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.249 3.823 -13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.384 5.953 -11.427 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.839 5.456 -13.032 1.00 0.00 H new ATOM 733 N PHE A 49 1.421 -0.253 -5.935 1.00 0.00 N ATOM 734 CA PHE A 49 0.555 -1.270 -5.351 1.00 0.00 C ATOM 735 C PHE A 49 -0.794 -0.659 -4.985 1.00 0.00 C ATOM 736 O PHE A 49 -1.826 -1.048 -5.532 1.00 0.00 O ATOM 737 CB PHE A 49 1.208 -1.908 -4.120 1.00 0.00 C ATOM 738 CG PHE A 49 0.475 -3.129 -3.631 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.787 -4.381 -4.136 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.525 -3.029 -2.670 1.00 0.00 C ATOM 741 CE1 PHE A 49 0.121 -5.508 -3.695 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.193 -4.156 -2.227 1.00 0.00 C ATOM 743 CZ PHE A 49 -0.869 -5.396 -2.740 1.00 0.00 C ATOM 0 H PHE A 49 2.336 -0.168 -5.492 1.00 0.00 H new ATOM 0 HA PHE A 49 0.399 -2.055 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.236 -2.180 -4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.253 -1.172 -3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.560 -4.477 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.783 -2.061 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.375 -6.477 -4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.968 -4.066 -1.480 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.389 -6.277 -2.395 1.00 0.00 H new ATOM 753 N ILE A 50 -0.786 0.300 -4.058 1.00 0.00 N ATOM 754 CA ILE A 50 -2.019 0.966 -3.654 1.00 0.00 C ATOM 755 C ILE A 50 -2.606 1.731 -4.848 1.00 0.00 C ATOM 756 O ILE A 50 -2.496 1.265 -5.982 1.00 0.00 O ATOM 757 CB ILE A 50 -1.779 1.898 -2.442 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.726 2.966 -2.753 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.353 1.077 -1.240 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.469 3.904 -1.587 1.00 0.00 C ATOM 0 H ILE A 50 0.052 0.628 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.741 0.214 -3.336 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.714 2.411 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.208 2.477 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.051 3.548 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.185 1.737 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.136 0.360 -0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.431 0.543 -1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.286 4.637 -1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.393 4.418 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.115 3.331 -0.730 1.00 0.00 H new ATOM 772 N ASP A 51 -3.226 2.892 -4.625 1.00 0.00 N ATOM 773 CA ASP A 51 -3.801 3.650 -5.729 1.00 0.00 C ATOM 774 C ASP A 51 -2.694 4.284 -6.581 1.00 0.00 C ATOM 775 O ASP A 51 -1.585 4.523 -6.103 1.00 0.00 O ATOM 776 CB ASP A 51 -4.782 4.700 -5.198 1.00 0.00 C ATOM 777 CG ASP A 51 -6.103 4.092 -4.773 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.083 3.033 -4.114 1.00 0.00 O ATOM 779 OD2 ASP A 51 -7.158 4.673 -5.101 1.00 0.00 O ATOM 0 H ASP A 51 -3.340 3.319 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.360 2.971 -6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.333 5.217 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.961 5.449 -5.969 1.00 0.00 H new ATOM 784 N ASN A 52 -3.014 4.550 -7.846 1.00 0.00 N ATOM 785 CA ASN A 52 -2.047 5.105 -8.799 1.00 0.00 C ATOM 786 C ASN A 52 -1.754 6.584 -8.559 1.00 0.00 C ATOM 787 O ASN A 52 -0.600 7.010 -8.608 1.00 0.00 O ATOM 788 CB ASN A 52 -2.561 4.911 -10.225 1.00 0.00 C ATOM 789 CG ASN A 52 -1.489 5.164 -11.266 1.00 0.00 C ATOM 790 OD1 ASN A 52 -0.581 5.968 -11.056 1.00 0.00 O ATOM 791 ND2 ASN A 52 -1.588 4.475 -12.397 1.00 0.00 N ATOM 0 H ASN A 52 -3.941 4.390 -8.239 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.111 4.566 -8.652 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.939 3.895 -10.337 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.400 5.584 -10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.894 4.602 -13.134 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.358 3.819 -12.529 1.00 0.00 H new ATOM 798 N ASP A 53 -2.793 7.357 -8.303 1.00 0.00 N ATOM 799 CA ASP A 53 -2.648 8.789 -8.065 1.00 0.00 C ATOM 800 C ASP A 53 -4.019 9.430 -7.987 1.00 0.00 C ATOM 801 O ASP A 53 -4.311 10.202 -7.074 1.00 0.00 O ATOM 802 CB ASP A 53 -1.833 9.443 -9.180 1.00 0.00 C ATOM 803 CG ASP A 53 -2.338 9.070 -10.559 1.00 0.00 C ATOM 804 OD1 ASP A 53 -3.287 9.724 -11.042 1.00 0.00 O ATOM 805 OD2 ASP A 53 -1.787 8.121 -11.157 1.00 0.00 O ATOM 0 H ASP A 53 -3.754 7.019 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.121 8.935 -7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.867 10.526 -9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.789 9.145 -9.086 1.00 0.00 H new ATOM 810 N GLN A 54 -4.857 9.085 -8.956 1.00 0.00 N ATOM 811 CA GLN A 54 -6.228 9.567 -9.025 1.00 0.00 C ATOM 812 C GLN A 54 -6.333 11.077 -9.243 1.00 0.00 C ATOM 813 O GLN A 54 -6.982 11.527 -10.188 1.00 0.00 O ATOM 814 CB GLN A 54 -6.959 9.155 -7.756 1.00 0.00 C ATOM 815 CG GLN A 54 -6.569 7.765 -7.280 1.00 0.00 C ATOM 816 CD GLN A 54 -7.192 7.399 -5.958 1.00 0.00 C ATOM 817 OE1 GLN A 54 -8.197 6.695 -5.926 1.00 0.00 O ATOM 818 NE2 GLN A 54 -6.610 7.911 -4.870 1.00 0.00 N ATOM 0 H GLN A 54 -4.602 8.459 -9.720 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.693 9.111 -9.899 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.746 9.877 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.034 9.185 -7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.867 7.033 -8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.484 7.708 -7.192 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.775 8.490 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.000 7.723 -3.947 1.00 0.00 H new ATOM 827 N SER A 55 -5.700 11.858 -8.376 1.00 0.00 N ATOM 828 CA SER A 55 -5.749 13.306 -8.490 1.00 0.00 C ATOM 829 C SER A 55 -4.496 13.945 -7.907 1.00 0.00 C ATOM 830 O SER A 55 -4.545 15.056 -7.378 1.00 0.00 O ATOM 831 CB SER A 55 -6.988 13.855 -7.780 1.00 0.00 C ATOM 832 OG SER A 55 -7.101 15.255 -7.962 1.00 0.00 O ATOM 0 H SER A 55 -5.149 11.512 -7.590 1.00 0.00 H new ATOM 0 HA SER A 55 -5.803 13.555 -9.550 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.880 13.362 -8.165 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.932 13.627 -6.716 1.00 0.00 H new ATOM 0 HG SER A 55 -6.249 15.684 -7.739 1.00 0.00 H new ATOM 838 N GLY A 56 -3.375 13.241 -8.003 1.00 0.00 N ATOM 839 CA GLY A 56 -2.133 13.771 -7.476 1.00 0.00 C ATOM 840 C GLY A 56 -1.666 13.039 -6.237 1.00 0.00 C ATOM 841 O GLY A 56 -0.490 13.100 -5.879 1.00 0.00 O ATOM 0 H GLY A 56 -3.304 12.319 -8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.361 13.708 -8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.264 14.827 -7.241 1.00 0.00 H new ATOM 845 N TYR A 57 -2.587 12.347 -5.579 1.00 0.00 N ATOM 846 CA TYR A 57 -2.268 11.615 -4.358 1.00 0.00 C ATOM 847 C TYR A 57 -3.376 10.633 -4.030 1.00 0.00 C ATOM 848 O TYR A 57 -4.474 10.704 -4.583 1.00 0.00 O ATOM 849 CB TYR A 57 -2.083 12.574 -3.164 1.00 0.00 C ATOM 850 CG TYR A 57 -2.183 14.033 -3.520 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.416 14.637 -3.545 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.063 14.788 -3.844 1.00 0.00 C ATOM 853 CE1 TYR A 57 -3.554 15.967 -3.885 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.185 16.123 -4.183 1.00 0.00 C ATOM 855 CZ TYR A 57 -2.434 16.708 -4.203 1.00 0.00 C ATOM 856 OH TYR A 57 -2.563 18.035 -4.544 1.00 0.00 O ATOM 0 H TYR A 57 -3.562 12.277 -5.870 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.334 11.079 -4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.834 12.344 -2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.109 12.388 -2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.294 14.060 -3.294 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.086 14.327 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.532 16.425 -3.902 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.309 16.704 -4.430 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.679 18.410 -4.738 1.00 0.00 H new ATOM 866 N LEU A 58 -3.079 9.720 -3.127 1.00 0.00 N ATOM 867 CA LEU A 58 -4.044 8.747 -2.697 1.00 0.00 C ATOM 868 C LEU A 58 -4.574 9.171 -1.332 1.00 0.00 C ATOM 869 O LEU A 58 -3.846 9.788 -0.556 1.00 0.00 O ATOM 870 CB LEU A 58 -3.389 7.367 -2.672 1.00 0.00 C ATOM 871 CG LEU A 58 -2.699 6.951 -3.989 1.00 0.00 C ATOM 872 CD1 LEU A 58 -3.489 7.401 -5.206 1.00 0.00 C ATOM 873 CD2 LEU A 58 -1.274 7.448 -4.092 1.00 0.00 C ATOM 0 H LEU A 58 -2.167 9.638 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.888 8.688 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.651 7.346 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.149 6.625 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.669 5.862 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.970 7.089 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.481 6.951 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.583 8.487 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.843 7.124 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.264 8.537 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.687 7.042 -3.268 1.00 0.00 H new ATOM 885 N ASP A 59 -5.829 8.852 -1.024 1.00 0.00 N ATOM 886 CA ASP A 59 -6.395 9.277 0.249 1.00 0.00 C ATOM 887 C ASP A 59 -7.318 8.225 0.834 1.00 0.00 C ATOM 888 O ASP A 59 -7.961 7.452 0.123 1.00 0.00 O ATOM 889 CB ASP A 59 -7.139 10.597 0.077 1.00 0.00 C ATOM 890 CG ASP A 59 -7.545 11.207 1.404 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.563 10.764 1.974 1.00 0.00 O ATOM 892 OD2 ASP A 59 -6.844 12.127 1.874 1.00 0.00 O ATOM 0 H ASP A 59 -6.457 8.315 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.571 9.416 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.506 11.300 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.028 10.434 -0.532 1.00 0.00 H new ATOM 897 N GLY A 60 -7.384 8.253 2.160 1.00 0.00 N ATOM 898 CA GLY A 60 -8.135 7.275 2.933 1.00 0.00 C ATOM 899 C GLY A 60 -9.448 6.869 2.310 1.00 0.00 C ATOM 900 O GLY A 60 -9.896 5.736 2.482 1.00 0.00 O ATOM 0 H GLY A 60 -6.916 8.958 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.520 6.386 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.327 7.683 3.925 1.00 0.00 H new ATOM 904 N ASP A 61 -10.069 7.793 1.603 1.00 0.00 N ATOM 905 CA ASP A 61 -11.344 7.525 0.958 1.00 0.00 C ATOM 906 C ASP A 61 -11.146 6.596 -0.224 1.00 0.00 C ATOM 907 O ASP A 61 -11.827 5.582 -0.383 1.00 0.00 O ATOM 908 CB ASP A 61 -11.958 8.826 0.451 1.00 0.00 C ATOM 909 CG ASP A 61 -11.921 9.931 1.487 1.00 0.00 C ATOM 910 OD1 ASP A 61 -12.876 10.028 2.287 1.00 0.00 O ATOM 911 OD2 ASP A 61 -10.940 10.702 1.497 1.00 0.00 O ATOM 0 H ASP A 61 -9.713 8.738 1.459 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.006 7.061 1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.424 9.152 -0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.991 8.645 0.155 1.00 0.00 H new ATOM 916 N GLU A 62 -10.193 6.984 -1.045 1.00 0.00 N ATOM 917 CA GLU A 62 -9.867 6.284 -2.270 1.00 0.00 C ATOM 918 C GLU A 62 -9.051 5.017 -2.054 1.00 0.00 C ATOM 919 O GLU A 62 -9.151 4.069 -2.830 1.00 0.00 O ATOM 920 CB GLU A 62 -9.102 7.226 -3.167 1.00 0.00 C ATOM 921 CG GLU A 62 -9.951 8.335 -3.759 1.00 0.00 C ATOM 922 CD GLU A 62 -11.149 7.809 -4.524 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.977 7.408 -5.694 1.00 0.00 O ATOM 924 OE2 GLU A 62 -12.260 7.801 -3.953 1.00 0.00 O ATOM 0 H GLU A 62 -9.614 7.807 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.807 5.967 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.285 7.671 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.651 6.654 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.295 8.990 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.337 8.941 -4.425 1.00 0.00 H new ATOM 931 N LEU A 63 -8.239 5.004 -1.010 1.00 0.00 N ATOM 932 CA LEU A 63 -7.376 3.864 -0.725 1.00 0.00 C ATOM 933 C LEU A 63 -8.099 2.528 -0.918 1.00 0.00 C ATOM 934 O LEU A 63 -7.497 1.556 -1.373 1.00 0.00 O ATOM 935 CB LEU A 63 -6.826 3.983 0.692 1.00 0.00 C ATOM 936 CG LEU A 63 -5.916 5.191 0.913 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.220 5.122 2.264 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.906 5.333 -0.225 1.00 0.00 C ATOM 0 H LEU A 63 -8.158 5.771 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.551 3.879 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.661 4.039 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.271 3.076 0.931 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.544 6.082 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.581 5.996 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.967 5.102 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.613 4.218 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.271 6.200 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.289 4.436 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.437 5.464 -1.168 1.00 0.00 H new ATOM 950 N LYS A 64 -9.384 2.476 -0.574 1.00 0.00 N ATOM 951 CA LYS A 64 -10.164 1.254 -0.742 1.00 0.00 C ATOM 952 C LYS A 64 -10.237 0.811 -2.201 1.00 0.00 C ATOM 953 O LYS A 64 -10.373 -0.379 -2.487 1.00 0.00 O ATOM 954 CB LYS A 64 -11.593 1.500 -0.258 1.00 0.00 C ATOM 955 CG LYS A 64 -11.709 2.001 1.167 1.00 0.00 C ATOM 956 CD LYS A 64 -13.156 2.291 1.534 1.00 0.00 C ATOM 957 CE LYS A 64 -13.610 3.643 1.010 1.00 0.00 C ATOM 958 NZ LYS A 64 -12.950 4.768 1.728 1.00 0.00 N ATOM 0 H LYS A 64 -9.903 3.260 -0.180 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.670 0.473 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.066 2.224 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.156 0.571 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.300 1.257 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.113 2.906 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.798 1.509 1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.269 2.265 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.388 3.712 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.691 3.729 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.572 5.602 1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.766 4.491 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.051 4.999 1.260 1.00 0.00 H new ATOM 972 N TYR A 65 -10.146 1.760 -3.115 1.00 0.00 N ATOM 973 CA TYR A 65 -10.232 1.451 -4.541 1.00 0.00 C ATOM 974 C TYR A 65 -8.962 0.806 -5.089 1.00 0.00 C ATOM 975 O TYR A 65 -8.989 0.234 -6.173 1.00 0.00 O ATOM 976 CB TYR A 65 -10.544 2.718 -5.342 1.00 0.00 C ATOM 977 CG TYR A 65 -11.774 3.467 -4.866 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.653 2.897 -3.952 1.00 0.00 C ATOM 979 CD2 TYR A 65 -12.049 4.751 -5.323 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.767 3.581 -3.507 1.00 0.00 C ATOM 981 CE2 TYR A 65 -13.164 5.441 -4.884 1.00 0.00 C ATOM 982 CZ TYR A 65 -14.019 4.852 -3.977 1.00 0.00 C ATOM 983 OH TYR A 65 -15.127 5.537 -3.536 1.00 0.00 O ATOM 0 H TYR A 65 -10.013 2.749 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.039 0.727 -4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.684 3.386 -5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.679 2.448 -6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.461 1.900 -3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.381 5.217 -6.032 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.437 3.123 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.364 6.437 -5.250 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.158 6.419 -3.963 1.00 0.00 H new ATOM 993 N PHE A 66 -7.868 0.858 -4.331 1.00 0.00 N ATOM 994 CA PHE A 66 -6.596 0.318 -4.781 1.00 0.00 C ATOM 995 C PHE A 66 -6.744 -1.072 -5.414 1.00 0.00 C ATOM 996 O PHE A 66 -6.036 -1.411 -6.363 1.00 0.00 O ATOM 997 CB PHE A 66 -5.620 0.279 -3.594 1.00 0.00 C ATOM 998 CG PHE A 66 -5.814 -0.876 -2.645 1.00 0.00 C ATOM 999 CD1 PHE A 66 -7.075 -1.257 -2.227 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -4.724 -1.588 -2.178 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -7.244 -2.328 -1.374 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.893 -2.658 -1.324 1.00 0.00 C ATOM 1003 CZ PHE A 66 -6.149 -3.030 -0.927 1.00 0.00 C ATOM 0 H PHE A 66 -7.842 1.272 -3.399 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.203 0.970 -5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.602 0.244 -3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.716 1.209 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.939 -0.709 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.729 -1.303 -2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.236 -2.615 -1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.032 -3.204 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.280 -3.873 -0.264 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.660 -1.862 -4.884 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.925 -3.194 -5.368 1.00 0.00 C ATOM 1015 C LEU A 67 -8.910 -3.142 -6.517 1.00 0.00 C ATOM 1016 O LEU A 67 -8.875 -3.959 -7.435 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.457 -4.035 -4.212 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.367 -4.693 -3.384 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -7.941 -5.317 -2.124 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.636 -5.710 -4.235 1.00 0.00 C ATOM 0 H LEU A 67 -8.246 -1.588 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.009 -3.651 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.063 -3.403 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.116 -4.807 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.653 -3.936 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.139 -5.781 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.419 -4.545 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.677 -6.073 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.853 -6.184 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.339 -6.468 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.189 -5.211 -5.095 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.776 -2.145 -6.455 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.787 -1.925 -7.460 1.00 0.00 C ATOM 1034 C GLN A 68 -10.184 -1.247 -8.686 1.00 0.00 C ATOM 1035 O GLN A 68 -10.887 -0.966 -9.657 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.916 -1.083 -6.880 1.00 0.00 C ATOM 1037 CG GLN A 68 -13.000 -1.907 -6.209 1.00 0.00 C ATOM 1038 CD GLN A 68 -14.220 -1.085 -5.844 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -14.537 -0.096 -6.504 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.914 -1.492 -4.788 1.00 0.00 N ATOM 0 H GLN A 68 -9.792 -1.463 -5.697 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.192 -2.888 -7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.501 -0.383 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.363 -0.489 -7.677 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.299 -2.717 -6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.595 -2.368 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.616 -2.318 -4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.746 -0.979 -4.496 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.879 -0.979 -8.637 1.00 0.00 N ATOM 1050 CA LYS A 69 -8.193 -0.362 -9.746 1.00 0.00 C ATOM 1051 C LYS A 69 -8.032 -1.405 -10.827 1.00 0.00 C ATOM 1052 O LYS A 69 -8.469 -1.241 -11.966 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.806 0.102 -9.303 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.831 1.163 -8.225 1.00 0.00 C ATOM 1055 CD LYS A 69 -7.483 2.436 -8.720 1.00 0.00 C ATOM 1056 CE LYS A 69 -7.903 3.325 -7.569 1.00 0.00 C ATOM 1057 NZ LYS A 69 -8.378 4.657 -8.039 1.00 0.00 N ATOM 0 H LYS A 69 -8.284 -1.184 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.760 0.496 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.244 -0.759 -8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.269 0.490 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.373 0.789 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.813 1.377 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.789 2.976 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.354 2.188 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.696 2.836 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.062 3.459 -6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.301 5.346 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.794 4.971 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.371 4.585 -8.341 1.00 0.00 H new ATOM 1071 N PHE A 70 -7.384 -2.489 -10.422 1.00 0.00 N ATOM 1072 CA PHE A 70 -7.112 -3.614 -11.293 1.00 0.00 C ATOM 1073 C PHE A 70 -8.176 -4.708 -11.147 1.00 0.00 C ATOM 1074 O PHE A 70 -8.649 -5.265 -12.138 1.00 0.00 O ATOM 1075 CB PHE A 70 -5.699 -4.146 -10.965 1.00 0.00 C ATOM 1076 CG PHE A 70 -5.646 -5.431 -10.163 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -5.833 -5.428 -8.782 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -5.408 -6.639 -10.797 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -5.782 -6.607 -8.063 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -5.356 -7.819 -10.080 1.00 0.00 C ATOM 1081 CZ PHE A 70 -5.543 -7.802 -8.712 1.00 0.00 C ATOM 0 H PHE A 70 -7.032 -2.609 -9.472 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.149 -3.292 -12.334 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.164 -4.303 -11.902 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.160 -3.375 -10.415 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.019 -4.496 -8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.261 -6.659 -11.867 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.929 -6.594 -6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.169 -8.753 -10.589 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.502 -8.723 -8.150 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.542 -5.006 -9.905 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.524 -6.050 -9.633 1.00 0.00 C ATOM 1093 C GLN A 71 -10.960 -5.526 -9.723 1.00 0.00 C ATOM 1094 O GLN A 71 -11.900 -6.320 -9.693 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.279 -6.659 -8.252 1.00 0.00 C ATOM 1096 CG GLN A 71 -9.981 -7.987 -8.043 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.368 -8.206 -6.597 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -11.518 -7.667 -6.216 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -9.638 -8.835 -5.829 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.176 -4.542 -9.074 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.403 -6.817 -10.398 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.207 -6.797 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.614 -5.956 -7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.874 -8.026 -8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.328 -8.797 -8.370 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.762 -9.232 -6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.910 -8.959 -4.854 1.00 0.00 H new ATOM 1108 N SER A 72 -11.107 -4.202 -9.906 1.00 0.00 N ATOM 1109 CA SER A 72 -12.415 -3.518 -9.978 1.00 0.00 C ATOM 1110 C SER A 72 -13.565 -4.313 -9.354 1.00 0.00 C ATOM 1111 O SER A 72 -14.669 -4.361 -9.898 1.00 0.00 O ATOM 1112 CB SER A 72 -12.756 -3.201 -11.428 1.00 0.00 C ATOM 1113 OG SER A 72 -12.560 -4.332 -12.259 1.00 0.00 O ATOM 0 H SER A 72 -10.314 -3.568 -10.009 1.00 0.00 H new ATOM 0 HA SER A 72 -12.309 -2.605 -9.393 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.793 -2.871 -11.497 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.135 -2.377 -11.779 1.00 0.00 H new ATOM 0 HG SER A 72 -12.788 -4.102 -13.184 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.285 -4.934 -8.220 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.278 -5.712 -7.493 1.00 0.00 C ATOM 1121 C ASP A 73 -13.874 -5.893 -6.030 1.00 0.00 C ATOM 1122 O ASP A 73 -14.387 -6.777 -5.344 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.458 -7.075 -8.154 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.144 -6.980 -9.503 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -16.390 -7.048 -9.540 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -14.435 -6.836 -10.521 1.00 0.00 O ATOM 0 H ASP A 73 -12.366 -4.914 -7.777 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.222 -5.168 -7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.483 -7.547 -8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.043 -7.719 -7.497 1.00 0.00 H new ATOM 1131 N ALA A 74 -12.954 -5.054 -5.553 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.472 -5.142 -4.187 1.00 0.00 C ATOM 1133 C ALA A 74 -13.609 -5.067 -3.183 1.00 0.00 C ATOM 1134 O ALA A 74 -14.758 -4.806 -3.540 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.480 -4.023 -3.920 1.00 0.00 C ATOM 0 H ALA A 74 -12.530 -4.305 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.983 -6.109 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.121 -4.093 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.638 -4.112 -4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.969 -3.060 -4.069 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.273 -5.300 -1.922 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.253 -5.225 -0.849 1.00 0.00 C ATOM 1143 C ARG A 75 -14.337 -3.793 -0.320 1.00 0.00 C ATOM 1144 O ARG A 75 -15.253 -3.450 0.425 1.00 0.00 O ATOM 1145 CB ARG A 75 -13.926 -6.209 0.290 1.00 0.00 C ATOM 1146 CG ARG A 75 -12.440 -6.442 0.544 1.00 0.00 C ATOM 1147 CD ARG A 75 -11.751 -5.210 1.118 1.00 0.00 C ATOM 1148 NE ARG A 75 -10.313 -5.206 0.852 1.00 0.00 N ATOM 1149 CZ ARG A 75 -9.470 -6.119 1.323 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -9.893 -7.057 2.159 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -8.191 -6.077 0.976 1.00 0.00 N ATOM 0 H ARG A 75 -12.330 -5.542 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.223 -5.512 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.381 -5.840 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.394 -7.167 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.318 -7.278 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.954 -6.725 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.200 -4.313 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.920 -5.170 2.194 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.935 -4.458 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.872 -7.081 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.240 -7.754 2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.856 -5.345 0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.542 -6.776 1.336 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.356 -2.970 -0.715 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.281 -1.564 -0.332 1.00 0.00 C ATOM 1167 C GLU A 76 -12.566 -1.409 0.994 1.00 0.00 C ATOM 1168 O GLU A 76 -12.972 -0.635 1.860 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.657 -0.915 -0.279 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.469 -1.148 -1.537 1.00 0.00 C ATOM 1171 CD GLU A 76 -16.914 -0.711 -1.392 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.728 -1.512 -0.886 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.230 0.431 -1.784 1.00 0.00 O ATOM 0 H GLU A 76 -12.588 -3.270 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.707 -1.048 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.205 -1.306 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.541 0.157 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.012 -0.606 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.438 -2.207 -1.793 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.477 -2.140 1.106 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.632 -2.163 2.290 1.00 0.00 C ATOM 1182 C LEU A 77 -11.362 -1.967 3.603 1.00 0.00 C ATOM 1183 O LEU A 77 -10.749 -1.542 4.581 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.573 -1.095 2.126 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.530 -1.458 1.129 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.519 -0.356 1.031 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.870 -2.766 1.521 1.00 0.00 C ATOM 0 H LEU A 77 -11.143 -2.751 0.360 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.205 -3.164 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.049 -0.163 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.098 -0.911 3.090 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.993 -1.590 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.757 -0.625 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.013 0.564 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.051 -0.204 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.108 -3.024 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.407 -2.660 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.621 -3.556 1.558 1.00 0.00 H new ATOM 1199 N THR A 78 -12.635 -2.344 3.650 1.00 0.00 N ATOM 1200 CA THR A 78 -13.449 -2.182 4.854 1.00 0.00 C ATOM 1201 C THR A 78 -13.110 -0.883 5.583 1.00 0.00 C ATOM 1202 O THR A 78 -12.448 0.000 5.038 1.00 0.00 O ATOM 1203 CB THR A 78 -13.240 -3.360 5.822 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.966 -3.242 6.465 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.313 -4.685 5.083 1.00 0.00 C ATOM 0 H THR A 78 -13.130 -2.767 2.864 1.00 0.00 H new ATOM 0 HA THR A 78 -14.490 -2.152 4.532 1.00 0.00 H new ATOM 0 HB THR A 78 -14.032 -3.333 6.570 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.012 -3.644 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.162 -5.503 5.787 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.291 -4.786 4.613 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.538 -4.718 4.318 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.624 -0.734 6.781 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.303 0.429 7.579 1.00 0.00 C ATOM 1215 C GLU A 79 -11.839 0.365 8.021 1.00 0.00 C ATOM 1216 O GLU A 79 -11.094 1.342 7.937 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.213 0.499 8.804 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.694 0.552 8.464 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.574 0.668 9.693 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -16.723 1.793 10.211 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -17.113 -0.368 10.137 1.00 0.00 O ATOM 0 H GLU A 79 -14.261 -1.397 7.223 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.458 1.324 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.025 -0.370 9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.952 1.381 9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.881 1.401 7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.968 -0.346 7.910 1.00 0.00 H new ATOM 1228 N SER A 80 -11.459 -0.822 8.491 1.00 0.00 N ATOM 1229 CA SER A 80 -10.128 -1.090 9.038 1.00 0.00 C ATOM 1230 C SER A 80 -8.954 -1.166 8.044 1.00 0.00 C ATOM 1231 O SER A 80 -7.923 -0.544 8.292 1.00 0.00 O ATOM 1232 CB SER A 80 -10.165 -2.378 9.844 1.00 0.00 C ATOM 1233 OG SER A 80 -9.126 -2.409 10.809 1.00 0.00 O ATOM 0 H SER A 80 -12.074 -1.636 8.503 1.00 0.00 H new ATOM 0 HA SER A 80 -9.916 -0.208 9.642 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.130 -2.471 10.342 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.068 -3.232 9.174 1.00 0.00 H new ATOM 0 HG SER A 80 -9.484 -2.724 11.665 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.069 -1.899 6.926 1.00 0.00 N ATOM 1240 CA GLU A 81 -7.917 -2.058 6.033 1.00 0.00 C ATOM 1241 C GLU A 81 -7.322 -0.729 5.578 1.00 0.00 C ATOM 1242 O GLU A 81 -6.102 -0.576 5.576 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.280 -2.898 4.805 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.254 -3.975 4.477 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.843 -3.425 4.393 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.213 -3.243 5.456 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.367 -3.180 3.266 1.00 0.00 O ATOM 0 H GLU A 81 -9.920 -2.376 6.627 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.159 -2.575 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.249 -3.369 4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.390 -2.239 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.293 -4.753 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.515 -4.444 3.528 1.00 0.00 H new ATOM 1254 N THR A 82 -8.149 0.234 5.195 1.00 0.00 N ATOM 1255 CA THR A 82 -7.617 1.513 4.765 1.00 0.00 C ATOM 1256 C THR A 82 -6.736 2.116 5.851 1.00 0.00 C ATOM 1257 O THR A 82 -5.891 2.960 5.570 1.00 0.00 O ATOM 1258 CB THR A 82 -8.720 2.512 4.409 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.594 2.705 5.528 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.515 2.035 3.209 1.00 0.00 C ATOM 0 H THR A 82 -9.166 0.156 5.174 1.00 0.00 H new ATOM 0 HA THR A 82 -7.029 1.320 3.868 1.00 0.00 H new ATOM 0 HB THR A 82 -8.249 3.462 4.156 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.295 3.347 5.289 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.293 2.762 2.976 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.850 1.927 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.974 1.073 3.436 1.00 0.00 H new ATOM 1268 N LYS A 83 -6.938 1.684 7.096 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.124 2.175 8.200 1.00 0.00 C ATOM 1270 C LYS A 83 -4.665 1.884 7.895 1.00 0.00 C ATOM 1271 O LYS A 83 -3.783 2.708 8.136 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.530 1.518 9.521 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.739 2.032 10.713 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.033 1.247 11.979 1.00 0.00 C ATOM 1275 CE LYS A 83 -7.514 1.244 12.294 1.00 0.00 C ATOM 1276 NZ LYS A 83 -7.824 0.440 13.508 1.00 0.00 N ATOM 0 H LYS A 83 -7.650 1.003 7.360 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.277 3.249 8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.592 1.693 9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.393 0.440 9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.673 1.975 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.974 3.084 10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.682 0.222 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.482 1.680 12.814 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.856 2.269 12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.065 0.843 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.848 0.464 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.522 -0.544 13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.319 0.837 14.326 1.00 0.00 H new ATOM 1290 N SER A 84 -4.429 0.691 7.359 1.00 0.00 N ATOM 1291 CA SER A 84 -3.108 0.258 6.976 1.00 0.00 C ATOM 1292 C SER A 84 -2.495 1.262 6.017 1.00 0.00 C ATOM 1293 O SER A 84 -1.402 1.781 6.240 1.00 0.00 O ATOM 1294 CB SER A 84 -3.242 -1.100 6.301 1.00 0.00 C ATOM 1295 OG SER A 84 -3.673 -2.082 7.224 1.00 0.00 O ATOM 0 H SER A 84 -5.159 0.001 7.181 1.00 0.00 H new ATOM 0 HA SER A 84 -2.460 0.183 7.850 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.953 -1.033 5.477 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.284 -1.394 5.872 1.00 0.00 H new ATOM 0 HG SER A 84 -4.134 -2.802 6.744 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.226 1.520 4.943 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.819 2.467 3.928 1.00 0.00 C ATOM 1303 C LEU A 85 -2.722 3.876 4.511 1.00 0.00 C ATOM 1304 O LEU A 85 -1.744 4.590 4.289 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.845 2.402 2.804 1.00 0.00 C ATOM 1306 CG LEU A 85 -3.814 1.106 1.995 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.688 1.223 0.758 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.386 0.745 1.615 1.00 0.00 C ATOM 0 H LEU A 85 -4.123 1.073 4.754 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.830 2.217 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.841 2.526 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.680 3.242 2.129 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.213 0.305 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.651 0.289 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.716 1.426 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.324 2.037 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.386 -0.181 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.956 1.546 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.792 0.611 2.519 1.00 0.00 H new ATOM 1320 N MET A 86 -3.742 4.257 5.266 1.00 0.00 N ATOM 1321 CA MET A 86 -3.773 5.561 5.914 1.00 0.00 C ATOM 1322 C MET A 86 -2.509 5.742 6.746 1.00 0.00 C ATOM 1323 O MET A 86 -1.801 6.741 6.624 1.00 0.00 O ATOM 1324 CB MET A 86 -5.009 5.669 6.802 1.00 0.00 C ATOM 1325 CG MET A 86 -6.314 5.571 6.032 1.00 0.00 C ATOM 1326 SD MET A 86 -7.316 7.054 6.206 1.00 0.00 S ATOM 1327 CE MET A 86 -6.175 8.270 5.559 1.00 0.00 C ATOM 0 H MET A 86 -4.563 3.679 5.446 1.00 0.00 H new ATOM 0 HA MET A 86 -3.818 6.344 5.157 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.978 4.879 7.553 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.981 6.618 7.337 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.100 5.401 4.977 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.879 4.709 6.386 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.727 9.155 5.243 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.459 8.546 6.333 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.642 7.851 4.705 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.231 4.737 7.569 1.00 0.00 N ATOM 1338 CA ASP A 87 -1.049 4.706 8.429 1.00 0.00 C ATOM 1339 C ASP A 87 0.238 4.471 7.620 1.00 0.00 C ATOM 1340 O ASP A 87 1.336 4.479 8.174 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.199 3.587 9.449 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.402 3.779 10.351 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.411 4.349 9.883 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.335 3.364 11.526 1.00 0.00 O ATOM 0 H ASP A 87 -2.824 3.912 7.660 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.970 5.674 8.924 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.289 2.634 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.297 3.533 10.059 1.00 0.00 H new ATOM 1349 N ALA A 88 0.090 4.264 6.315 1.00 0.00 N ATOM 1350 CA ALA A 88 1.214 3.962 5.438 1.00 0.00 C ATOM 1351 C ALA A 88 2.168 5.137 5.233 1.00 0.00 C ATOM 1352 O ALA A 88 3.326 4.935 4.876 1.00 0.00 O ATOM 1353 CB ALA A 88 0.689 3.480 4.106 1.00 0.00 C ATOM 0 H ALA A 88 -0.811 4.301 5.838 1.00 0.00 H new ATOM 0 HA ALA A 88 1.799 3.184 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.526 3.253 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.090 2.582 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.072 4.257 3.655 1.00 0.00 H new ATOM 1359 N ALA A 89 1.695 6.362 5.431 1.00 0.00 N ATOM 1360 CA ALA A 89 2.562 7.521 5.237 1.00 0.00 C ATOM 1361 C ALA A 89 1.987 8.792 5.857 1.00 0.00 C ATOM 1362 O ALA A 89 2.292 9.129 7.001 1.00 0.00 O ATOM 1363 CB ALA A 89 2.835 7.731 3.753 1.00 0.00 C ATOM 0 H ALA A 89 0.740 6.578 5.719 1.00 0.00 H new ATOM 0 HA ALA A 89 3.499 7.312 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.482 8.598 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.325 6.847 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.893 7.899 3.230 1.00 0.00 H new ATOM 1369 N ASP A 90 1.155 9.493 5.094 1.00 0.00 N ATOM 1370 CA ASP A 90 0.559 10.735 5.567 1.00 0.00 C ATOM 1371 C ASP A 90 -0.728 10.451 6.331 1.00 0.00 C ATOM 1372 O ASP A 90 -1.830 10.584 5.797 1.00 0.00 O ATOM 1373 CB ASP A 90 0.312 11.696 4.408 1.00 0.00 C ATOM 1374 CG ASP A 90 0.949 13.050 4.657 1.00 0.00 C ATOM 1375 OD1 ASP A 90 0.541 13.730 5.621 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.867 13.423 3.898 1.00 0.00 O ATOM 0 H ASP A 90 0.880 9.223 4.150 1.00 0.00 H new ATOM 0 HA ASP A 90 1.260 11.215 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.713 11.269 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.761 11.820 4.260 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.568 10.058 7.584 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.698 9.720 8.445 1.00 0.00 C ATOM 1383 C ASN A 91 -1.917 10.770 9.532 1.00 0.00 C ATOM 1384 O ASN A 91 -3.052 11.118 9.855 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.495 8.341 9.095 1.00 0.00 C ATOM 1386 CG ASN A 91 -0.045 7.880 9.084 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.356 7.207 8.008 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 0.704 8.127 10.029 1.00 0.00 N flip ATOM 0 H ASN A 91 0.342 9.963 8.035 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.585 9.694 7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.850 8.376 10.125 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.107 7.606 8.572 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.355 8.646 10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.674 7.813 10.007 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.820 11.270 10.090 1.00 0.00 N ATOM 1396 CA ASP A 92 -0.882 12.243 11.176 1.00 0.00 C ATOM 1397 C ASP A 92 -1.340 13.635 10.741 1.00 0.00 C ATOM 1398 O ASP A 92 -1.706 14.444 11.592 1.00 0.00 O ATOM 1399 CB ASP A 92 0.485 12.346 11.856 1.00 0.00 C ATOM 1400 CG ASP A 92 0.486 13.338 13.003 1.00 0.00 C ATOM 1401 OD1 ASP A 92 0.179 12.927 14.141 1.00 0.00 O ATOM 1402 OD2 ASP A 92 0.794 14.523 12.762 1.00 0.00 O ATOM 0 H ASP A 92 0.127 11.017 9.807 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.637 11.874 11.870 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.778 11.364 12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.232 12.644 11.121 1.00 0.00 H new ATOM 1407 N GLY A 93 -1.330 13.941 9.445 1.00 0.00 N ATOM 1408 CA GLY A 93 -1.757 15.271 9.043 1.00 0.00 C ATOM 1409 C GLY A 93 -2.046 15.426 7.564 1.00 0.00 C ATOM 1410 O GLY A 93 -1.659 16.423 6.956 1.00 0.00 O ATOM 0 H GLY A 93 -1.045 13.317 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.654 15.534 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.984 15.986 9.325 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.719 14.450 6.985 1.00 0.00 N ATOM 1415 CA ASP A 94 -3.065 14.516 5.563 1.00 0.00 C ATOM 1416 C ASP A 94 -3.933 13.337 5.110 1.00 0.00 C ATOM 1417 O ASP A 94 -4.717 13.465 4.169 1.00 0.00 O ATOM 1418 CB ASP A 94 -1.802 14.596 4.709 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.060 15.213 3.349 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -2.936 14.702 2.621 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -1.387 16.210 3.012 1.00 0.00 O ATOM 0 H ASP A 94 -3.038 13.608 7.464 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.656 15.422 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.049 15.183 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.391 13.595 4.578 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.791 12.192 5.777 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.569 11.018 5.420 1.00 0.00 C ATOM 1428 C GLY A 95 -4.368 10.567 3.984 1.00 0.00 C ATOM 1429 O GLY A 95 -5.150 9.767 3.472 1.00 0.00 O ATOM 0 H GLY A 95 -3.150 12.058 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.303 10.200 6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.626 11.231 5.580 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.325 11.069 3.330 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.050 10.693 1.947 1.00 0.00 C ATOM 1435 C LYS A 96 -1.761 9.883 1.854 1.00 0.00 C ATOM 1436 O LYS A 96 -0.855 10.045 2.668 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.993 11.956 1.045 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.627 12.297 0.437 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.552 12.494 1.494 1.00 0.00 C ATOM 1440 CE LYS A 96 0.286 13.725 1.198 1.00 0.00 C ATOM 1441 NZ LYS A 96 0.841 13.702 -0.184 1.00 0.00 N ATOM 0 H LYS A 96 -2.661 11.732 3.731 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.862 10.061 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.707 11.828 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.329 12.811 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.324 11.498 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.715 13.204 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.016 12.594 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.090 11.614 1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.324 14.619 1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.103 13.789 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.859 13.912 -0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.694 12.761 -0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.358 14.417 -0.764 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.691 9.012 0.861 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.499 8.217 0.644 1.00 0.00 C ATOM 1457 C ILE A 97 -0.012 8.373 -0.775 1.00 0.00 C ATOM 1458 O ILE A 97 -0.516 7.719 -1.657 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.758 6.721 0.846 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.469 6.467 2.168 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.554 5.955 0.787 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.700 6.952 3.375 1.00 0.00 C ATOM 0 H ILE A 97 -2.444 8.839 0.195 1.00 0.00 H new ATOM 0 HA ILE A 97 0.235 8.573 1.367 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.407 6.369 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.442 6.958 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.653 5.398 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.361 4.892 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.022 6.110 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.220 6.313 1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.269 6.737 4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.263 6.443 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.538 8.027 3.296 1.00 0.00 H new ATOM 1474 N GLY A 98 0.972 9.220 -0.979 1.00 0.00 N ATOM 1475 CA GLY A 98 1.547 9.412 -2.295 1.00 0.00 C ATOM 1476 C GLY A 98 2.886 8.721 -2.398 1.00 0.00 C ATOM 1477 O GLY A 98 3.423 8.280 -1.393 1.00 0.00 O ATOM 0 H GLY A 98 1.394 9.791 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.870 9.019 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.665 10.477 -2.494 1.00 0.00 H new ATOM 1481 N ALA A 99 3.430 8.609 -3.599 1.00 0.00 N ATOM 1482 CA ALA A 99 4.717 7.943 -3.762 1.00 0.00 C ATOM 1483 C ALA A 99 5.753 8.544 -2.810 1.00 0.00 C ATOM 1484 O ALA A 99 6.428 7.824 -2.078 1.00 0.00 O ATOM 1485 CB ALA A 99 5.186 8.053 -5.203 1.00 0.00 C ATOM 0 H ALA A 99 3.013 8.962 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 99 4.599 6.888 -3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.148 7.552 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.455 7.582 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.292 9.104 -5.472 1.00 0.00 H new ATOM 1491 N ASP A 100 5.838 9.873 -2.805 1.00 0.00 N ATOM 1492 CA ASP A 100 6.766 10.588 -1.927 1.00 0.00 C ATOM 1493 C ASP A 100 6.491 10.254 -0.465 1.00 0.00 C ATOM 1494 O ASP A 100 7.399 9.902 0.287 1.00 0.00 O ATOM 1495 CB ASP A 100 6.645 12.097 -2.148 1.00 0.00 C ATOM 1496 CG ASP A 100 7.691 12.880 -1.379 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.822 13.019 -1.888 1.00 0.00 O ATOM 1498 OD2 ASP A 100 7.379 13.353 -0.266 1.00 0.00 O ATOM 0 H ASP A 100 5.274 10.479 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 100 7.780 10.271 -2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.742 12.314 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.652 12.427 -1.844 1.00 0.00 H new ATOM 1503 N GLU A 101 5.228 10.367 -0.074 1.00 0.00 N ATOM 1504 CA GLU A 101 4.813 10.055 1.289 1.00 0.00 C ATOM 1505 C GLU A 101 5.132 8.595 1.577 1.00 0.00 C ATOM 1506 O GLU A 101 5.732 8.262 2.593 1.00 0.00 O ATOM 1507 CB GLU A 101 3.310 10.328 1.438 1.00 0.00 C ATOM 1508 CG GLU A 101 2.951 11.670 2.069 1.00 0.00 C ATOM 1509 CD GLU A 101 3.986 12.757 1.830 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.923 12.876 2.647 1.00 0.00 O ATOM 1511 OE2 GLU A 101 3.859 13.488 0.825 1.00 0.00 O ATOM 0 H GLU A 101 4.470 10.674 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 101 5.348 10.681 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.848 10.273 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.871 9.533 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.991 12.002 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.823 11.533 3.143 1.00 0.00 H new ATOM 1518 N PHE A 102 4.731 7.727 0.662 1.00 0.00 N ATOM 1519 CA PHE A 102 5.006 6.310 0.790 1.00 0.00 C ATOM 1520 C PHE A 102 6.511 6.093 0.972 1.00 0.00 C ATOM 1521 O PHE A 102 6.933 5.341 1.850 1.00 0.00 O ATOM 1522 CB PHE A 102 4.473 5.543 -0.430 1.00 0.00 C ATOM 1523 CG PHE A 102 4.643 4.055 -0.306 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.905 3.489 -0.258 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.537 3.225 -0.212 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.064 2.127 -0.121 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.690 1.857 -0.079 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.955 1.308 -0.032 1.00 0.00 C ATOM 0 H PHE A 102 4.213 7.983 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 102 4.492 5.922 1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.416 5.773 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.990 5.889 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.777 4.123 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.545 3.651 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.055 1.700 -0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.821 1.219 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.078 0.240 0.074 1.00 0.00 H new ATOM 1538 N GLN A 103 7.320 6.756 0.138 1.00 0.00 N ATOM 1539 CA GLN A 103 8.778 6.638 0.237 1.00 0.00 C ATOM 1540 C GLN A 103 9.260 7.073 1.618 1.00 0.00 C ATOM 1541 O GLN A 103 10.235 6.541 2.147 1.00 0.00 O ATOM 1542 CB GLN A 103 9.488 7.497 -0.818 1.00 0.00 C ATOM 1543 CG GLN A 103 9.082 7.209 -2.245 1.00 0.00 C ATOM 1544 CD GLN A 103 10.266 7.064 -3.178 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.104 6.254 -4.214 1.00 0.00 O flip ATOM 1546 NE2 GLN A 103 11.306 7.685 -2.977 1.00 0.00 N flip ATOM 0 H GLN A 103 6.994 7.374 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 103 9.023 5.590 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.291 8.547 -0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.564 7.348 -0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.491 6.293 -2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.440 8.013 -2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.385 8.298 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.091 7.588 -3.622 1.00 0.00 H new ATOM 1555 N GLU A 104 8.564 8.050 2.193 1.00 0.00 N ATOM 1556 CA GLU A 104 8.928 8.582 3.499 1.00 0.00 C ATOM 1557 C GLU A 104 8.811 7.503 4.575 1.00 0.00 C ATOM 1558 O GLU A 104 9.647 7.417 5.475 1.00 0.00 O ATOM 1559 CB GLU A 104 8.093 9.844 3.813 1.00 0.00 C ATOM 1560 CG GLU A 104 7.014 9.696 4.878 1.00 0.00 C ATOM 1561 CD GLU A 104 6.601 11.027 5.475 1.00 0.00 C ATOM 1562 OE1 GLU A 104 7.318 11.526 6.367 1.00 0.00 O ATOM 1563 OE2 GLU A 104 5.560 11.570 5.050 1.00 0.00 O ATOM 0 H GLU A 104 7.744 8.488 1.773 1.00 0.00 H new ATOM 0 HA GLU A 104 9.974 8.889 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.775 10.635 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.618 10.178 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.141 9.211 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.378 9.043 5.671 1.00 0.00 H new ATOM 1570 N MET A 105 7.772 6.685 4.475 1.00 0.00 N ATOM 1571 CA MET A 105 7.556 5.606 5.433 1.00 0.00 C ATOM 1572 C MET A 105 8.733 4.630 5.431 1.00 0.00 C ATOM 1573 O MET A 105 9.349 4.387 6.468 1.00 0.00 O ATOM 1574 CB MET A 105 6.259 4.865 5.122 1.00 0.00 C ATOM 1575 CG MET A 105 5.610 4.265 6.334 1.00 0.00 C ATOM 1576 SD MET A 105 5.209 5.493 7.591 1.00 0.00 S ATOM 1577 CE MET A 105 4.463 4.460 8.850 1.00 0.00 C ATOM 0 H MET A 105 7.066 6.747 3.742 1.00 0.00 H new ATOM 0 HA MET A 105 7.478 6.049 6.426 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.560 5.554 4.649 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.465 4.074 4.400 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.699 3.748 6.034 1.00 0.00 H new ATOM 0 HG3 MET A 105 6.275 3.516 6.763 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.898 5.083 9.544 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.793 3.740 8.380 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.244 3.927 9.393 1.00 0.00 H new ATOM 1587 N VAL A 106 9.040 4.074 4.261 1.00 0.00 N ATOM 1588 CA VAL A 106 10.150 3.136 4.128 1.00 0.00 C ATOM 1589 C VAL A 106 11.459 3.796 4.539 1.00 0.00 C ATOM 1590 O VAL A 106 12.350 3.151 5.092 1.00 0.00 O ATOM 1591 CB VAL A 106 10.287 2.623 2.679 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.358 3.790 1.715 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.514 1.723 2.527 1.00 0.00 C ATOM 0 H VAL A 106 8.536 4.257 3.393 1.00 0.00 H new ATOM 0 HA VAL A 106 9.937 2.292 4.784 1.00 0.00 H new ATOM 0 HB VAL A 106 9.405 2.027 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.455 3.415 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.449 4.386 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.221 4.410 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.585 1.376 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.412 2.285 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.421 0.865 3.193 1.00 0.00 H new ATOM 1603 N HIS A 107 11.562 5.088 4.264 1.00 0.00 N ATOM 1604 CA HIS A 107 12.759 5.853 4.595 1.00 0.00 C ATOM 1605 C HIS A 107 12.779 6.227 6.073 1.00 0.00 C ATOM 1606 O HIS A 107 13.841 6.462 6.648 1.00 0.00 O ATOM 1607 CB HIS A 107 12.826 7.120 3.741 1.00 0.00 C ATOM 1608 CG HIS A 107 14.014 7.981 4.039 1.00 0.00 C ATOM 1609 ND1 HIS A 107 13.967 9.051 4.908 1.00 0.00 N ATOM 1610 CD2 HIS A 107 15.285 7.930 3.575 1.00 0.00 C ATOM 1611 CE1 HIS A 107 15.158 9.621 4.965 1.00 0.00 C ATOM 1612 NE2 HIS A 107 15.976 8.960 4.167 1.00 0.00 N ATOM 0 H HIS A 107 10.828 5.632 3.810 1.00 0.00 H new ATOM 0 HA HIS A 107 13.627 5.228 4.386 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.847 6.838 2.688 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.918 7.702 3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.682 7.214 2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.418 10.482 5.563 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.961 9.178 4.015 1.00 0.00 H new ATOM 1621 N SER A 108 11.600 6.282 6.682 1.00 0.00 N ATOM 1622 CA SER A 108 11.488 6.632 8.092 1.00 0.00 C ATOM 1623 C SER A 108 12.355 5.718 8.951 1.00 0.00 C ATOM 1624 O SER A 108 11.849 4.664 9.390 1.00 0.00 O ATOM 1625 CB SER A 108 10.031 6.549 8.546 1.00 0.00 C ATOM 1626 OG SER A 108 9.912 6.832 9.929 1.00 0.00 O ATOM 1627 OXT SER A 108 13.534 6.063 9.176 1.00 0.00 O ATOM 0 H SER A 108 10.710 6.089 6.222 1.00 0.00 H new ATOM 0 HA SER A 108 11.841 7.656 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.428 7.254 7.974 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.639 5.553 8.340 1.00 0.00 H new ATOM 0 HG SER A 108 8.971 6.774 10.195 1.00 0.00 H new