USER MOD reduce.3.24.130724 H: found=0, std=0, add=1066, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1056 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 27 THR OG1 : rot -150:sc= -0.43 USER MOD Set 1.2: B 5 GLN : amide:sc= -2.17 K(o=-2.6,f=-4.9!) USER MOD Set 2.1: A 5 GLN : amide:sc= -1.14 K(o=-1.2,f=-5.2!) USER MOD Set 2.2: B 27 THR OG1 : rot -120:sc= -0.0221 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.983 (180deg=0.239!) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.502 F(o=-3.2!,f=-0.5) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.205 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.291 K(o=-0.29,f=-3.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 33 SER OG : rot 180:sc= -0.429 USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -1.21 (180deg=-1.73) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0209 K(o=-0.021,f=-0.69) USER MOD Single : A 62 TYR OH : rot -51:sc= -0.0959 USER MOD Single : A 66 HIS : no HD1:sc=-0.00507 X(o=-0.0051,f=-0.011) USER MOD Single : A 67 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.64) USER MOD Single : A 68 HIS : no HD1:sc= -0.97 K(o=-0.97,f=-5.2!) USER MOD Single : A 69 HIS : no HD1:sc= -0.662 K(o=-0.66,f=-3.2!) USER MOD Single : A 70 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.34) USER MOD Single : A 71 HIS : no HE2:sc= -0.261! C(o=-0.26!,f=-8!) USER MOD Single : B 1 MET CE :methyl -155:sc= -0.185 (180deg=-1.02) USER MOD Single : B 1 MET N :NH3+ -165:sc= -0.293 (180deg=-0.878) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.485 F(o=-2.2,f=-0.48) USER MOD Single : B 8 SER OG : rot 180:sc= -0.434 USER MOD Single : B 10 THR OG1 : rot 102:sc= -0.0923 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN :FLIP amide:sc=-0.00139 F(o=-1.4!,f=-0.0014) USER MOD Single : B 17 SER OG : rot -80:sc= 0.212 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 33 SER OG : rot -141:sc= -0.581 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -143:sc= 0.71 (180deg=-0.908!) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 62 TYR OH : rot -50:sc= -0.252 USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 67 HIS : no HD1:sc= -1.58! C(o=-1.6!,f=-2.7!) USER MOD Single : B 68 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-9.5!) USER MOD Single : B 69 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-5.9!) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -2.29! C(o=-3.5!,f=-2.3!) USER MOD Single : B 71 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.437 14.894 -10.732 1.00 0.00 N ATOM 2 CA MET A 1 -11.883 13.723 -11.537 1.00 0.00 C ATOM 3 C MET A 1 -11.905 12.476 -10.651 1.00 0.00 C ATOM 4 O MET A 1 -11.735 12.554 -9.451 1.00 0.00 O ATOM 5 CB MET A 1 -10.914 13.505 -12.703 1.00 0.00 C ATOM 6 CG MET A 1 -11.002 14.685 -13.679 1.00 0.00 C ATOM 7 SD MET A 1 -10.091 16.096 -13.002 1.00 0.00 S ATOM 8 CE MET A 1 -9.503 16.773 -14.574 1.00 0.00 C ATOM 0 H1 MET A 1 -10.776 15.469 -11.292 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.262 15.471 -10.472 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.961 14.561 -9.869 1.00 0.00 H new ATOM 0 HA MET A 1 -12.883 13.910 -11.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.895 13.407 -12.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.155 12.576 -13.219 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.589 14.402 -14.647 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.044 14.957 -13.845 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.907 17.666 -14.385 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.891 16.029 -15.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.356 17.032 -15.201 1.00 0.00 H new ATOM 20 N ASP A 2 -12.121 11.326 -11.230 1.00 0.00 N ATOM 21 CA ASP A 2 -12.161 10.076 -10.419 1.00 0.00 C ATOM 22 C ASP A 2 -10.758 9.758 -9.893 1.00 0.00 C ATOM 23 O ASP A 2 -9.772 9.895 -10.590 1.00 0.00 O ATOM 24 CB ASP A 2 -12.657 8.917 -11.296 1.00 0.00 C ATOM 25 CG ASP A 2 -14.183 8.973 -11.414 1.00 0.00 C ATOM 26 OD1 ASP A 2 -14.845 8.633 -10.448 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.663 9.360 -12.467 1.00 0.00 O ATOM 0 H ASP A 2 -12.272 11.198 -12.231 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.838 10.211 -9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.204 8.978 -12.286 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.351 7.964 -10.863 1.00 0.00 H new ATOM 32 N ASN A 3 -10.666 9.325 -8.665 1.00 0.00 N ATOM 33 CA ASN A 3 -9.337 8.983 -8.078 1.00 0.00 C ATOM 34 C ASN A 3 -9.539 7.939 -6.977 1.00 0.00 C ATOM 35 O ASN A 3 -8.866 7.948 -5.967 1.00 0.00 O ATOM 36 CB ASN A 3 -8.688 10.240 -7.494 1.00 0.00 C ATOM 37 CG ASN A 3 -9.737 11.065 -6.750 1.00 0.00 C ATOM 38 OD1 ASN A 3 -10.444 10.502 -5.811 1.00 0.00 O flip ATOM 39 ND2 ASN A 3 -9.919 12.234 -7.027 1.00 0.00 N flip ATOM 0 H ASN A 3 -11.460 9.192 -8.038 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.683 8.580 -8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.882 9.962 -6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.243 10.835 -8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.366 12.676 -7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.624 12.773 -6.525 1.00 0.00 H new ATOM 46 N ARG A 4 -10.469 7.041 -7.166 1.00 0.00 N ATOM 47 CA ARG A 4 -10.729 5.993 -6.136 1.00 0.00 C ATOM 48 C ARG A 4 -9.821 4.790 -6.404 1.00 0.00 C ATOM 49 O ARG A 4 -9.636 4.379 -7.531 1.00 0.00 O ATOM 50 CB ARG A 4 -12.194 5.547 -6.222 1.00 0.00 C ATOM 51 CG ARG A 4 -13.135 6.753 -6.073 1.00 0.00 C ATOM 52 CD ARG A 4 -13.302 7.129 -4.596 1.00 0.00 C ATOM 53 NE ARG A 4 -13.980 6.014 -3.877 1.00 0.00 N ATOM 54 CZ ARG A 4 -15.274 5.874 -3.965 1.00 0.00 C ATOM 55 NH1 ARG A 4 -15.966 6.689 -4.712 1.00 0.00 N ATOM 56 NH2 ARG A 4 -15.872 4.915 -3.315 1.00 0.00 N ATOM 0 H ARG A 4 -11.063 6.988 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.527 6.396 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.374 5.054 -7.177 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.404 4.816 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.736 7.603 -6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.107 6.518 -6.506 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.329 7.328 -4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.887 8.044 -4.506 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.433 5.361 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.495 7.434 -5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.978 6.581 -4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.328 4.274 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.884 4.806 -3.384 1.00 0.00 H new ATOM 70 N GLN A 5 -9.259 4.215 -5.373 1.00 0.00 N ATOM 71 CA GLN A 5 -8.367 3.029 -5.567 1.00 0.00 C ATOM 72 C GLN A 5 -8.539 2.072 -4.386 1.00 0.00 C ATOM 73 O GLN A 5 -9.051 2.444 -3.346 1.00 0.00 O ATOM 74 CB GLN A 5 -6.909 3.488 -5.667 1.00 0.00 C ATOM 75 CG GLN A 5 -6.533 4.303 -4.428 1.00 0.00 C ATOM 76 CD GLN A 5 -5.205 5.021 -4.677 1.00 0.00 C ATOM 77 OE1 GLN A 5 -4.969 6.085 -4.144 1.00 0.00 O ATOM 78 NE2 GLN A 5 -4.325 4.484 -5.477 1.00 0.00 N ATOM 0 H GLN A 5 -9.378 4.514 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.635 2.514 -6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.252 2.623 -5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.769 4.090 -6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.315 5.029 -4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.448 3.649 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.522 3.589 -5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.440 4.959 -5.654 1.00 0.00 H new ATOM 87 N PHE A 6 -8.129 0.834 -4.550 1.00 0.00 N ATOM 88 CA PHE A 6 -8.278 -0.177 -3.454 1.00 0.00 C ATOM 89 C PHE A 6 -6.903 -0.711 -3.047 1.00 0.00 C ATOM 90 O PHE A 6 -6.009 -0.848 -3.859 1.00 0.00 O ATOM 91 CB PHE A 6 -9.145 -1.343 -3.956 1.00 0.00 C ATOM 92 CG PHE A 6 -10.241 -0.820 -4.860 1.00 0.00 C ATOM 93 CD1 PHE A 6 -10.971 0.315 -4.493 1.00 0.00 C ATOM 94 CD2 PHE A 6 -10.530 -1.479 -6.063 1.00 0.00 C ATOM 95 CE1 PHE A 6 -11.991 0.790 -5.324 1.00 0.00 C ATOM 96 CE2 PHE A 6 -11.549 -1.001 -6.896 1.00 0.00 C ATOM 97 CZ PHE A 6 -12.279 0.134 -6.526 1.00 0.00 C ATOM 0 H PHE A 6 -7.695 0.480 -5.402 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.750 0.294 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.527 -2.060 -4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.582 -1.873 -3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.747 0.825 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.967 -2.355 -6.347 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -12.557 1.664 -5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -11.771 -1.508 -7.823 1.00 0.00 H new ATOM 0 HZ PHE A 6 -13.065 0.504 -7.168 1.00 0.00 H new ATOM 107 N LEU A 7 -6.740 -1.022 -1.787 1.00 0.00 N ATOM 108 CA LEU A 7 -5.438 -1.565 -1.290 1.00 0.00 C ATOM 109 C LEU A 7 -5.732 -2.793 -0.426 1.00 0.00 C ATOM 110 O LEU A 7 -6.461 -2.717 0.544 1.00 0.00 O ATOM 111 CB LEU A 7 -4.742 -0.487 -0.449 1.00 0.00 C ATOM 112 CG LEU A 7 -3.279 -0.874 -0.177 1.00 0.00 C ATOM 113 CD1 LEU A 7 -2.538 0.349 0.374 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.199 -2.034 0.840 1.00 0.00 C ATOM 0 H LEU A 7 -7.461 -0.922 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.790 -1.845 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.780 0.469 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.271 -0.357 0.495 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.818 -1.205 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.499 0.086 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.576 1.157 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.012 0.675 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.155 -2.291 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.662 -1.728 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.724 -2.903 0.443 1.00 0.00 H new ATOM 126 N SER A 8 -5.169 -3.926 -0.773 1.00 0.00 N ATOM 127 CA SER A 8 -5.408 -5.177 0.019 1.00 0.00 C ATOM 128 C SER A 8 -4.103 -5.610 0.684 1.00 0.00 C ATOM 129 O SER A 8 -3.059 -5.643 0.064 1.00 0.00 O ATOM 130 CB SER A 8 -5.891 -6.281 -0.921 1.00 0.00 C ATOM 131 OG SER A 8 -6.014 -7.496 -0.192 1.00 0.00 O ATOM 0 H SER A 8 -4.550 -4.039 -1.576 1.00 0.00 H new ATOM 0 HA SER A 8 -6.162 -4.991 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.851 -6.007 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.188 -6.407 -1.745 1.00 0.00 H new ATOM 0 HG SER A 8 -6.325 -8.207 -0.791 1.00 0.00 H new ATOM 137 N LEU A 9 -4.153 -5.934 1.950 1.00 0.00 N ATOM 138 CA LEU A 9 -2.913 -6.357 2.666 1.00 0.00 C ATOM 139 C LEU A 9 -3.261 -7.437 3.693 1.00 0.00 C ATOM 140 O LEU A 9 -4.364 -7.495 4.212 1.00 0.00 O ATOM 141 CB LEU A 9 -2.303 -5.144 3.380 1.00 0.00 C ATOM 142 CG LEU A 9 -0.840 -5.434 3.772 1.00 0.00 C ATOM 143 CD1 LEU A 9 0.095 -5.189 2.579 1.00 0.00 C ATOM 144 CD2 LEU A 9 -0.421 -4.515 4.922 1.00 0.00 C ATOM 0 H LEU A 9 -4.999 -5.924 2.519 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.194 -6.758 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.346 -4.271 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.885 -4.907 4.270 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.767 -6.477 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.123 -5.398 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.187 -5.844 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.013 -4.150 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.613 -4.723 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.511 -3.475 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.067 -4.691 5.782 1.00 0.00 H new ATOM 156 N THR A 10 -2.323 -8.302 3.986 1.00 0.00 N ATOM 157 CA THR A 10 -2.574 -9.392 4.973 1.00 0.00 C ATOM 158 C THR A 10 -1.274 -9.684 5.734 1.00 0.00 C ATOM 159 O THR A 10 -0.201 -9.302 5.310 1.00 0.00 O ATOM 160 CB THR A 10 -3.048 -10.642 4.226 1.00 0.00 C ATOM 161 OG1 THR A 10 -3.521 -11.603 5.159 1.00 0.00 O ATOM 162 CG2 THR A 10 -1.896 -11.241 3.416 1.00 0.00 C ATOM 0 H THR A 10 -1.387 -8.298 3.580 1.00 0.00 H new ATOM 0 HA THR A 10 -3.343 -9.092 5.685 1.00 0.00 H new ATOM 0 HB THR A 10 -3.854 -10.364 3.546 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.524 -12.490 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.245 -12.129 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.539 -10.507 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.082 -11.514 4.088 1.00 0.00 H new ATOM 170 N GLY A 11 -1.356 -10.349 6.855 1.00 0.00 N ATOM 171 CA GLY A 11 -0.118 -10.649 7.638 1.00 0.00 C ATOM 172 C GLY A 11 0.213 -9.459 8.545 1.00 0.00 C ATOM 173 O GLY A 11 1.348 -9.251 8.926 1.00 0.00 O ATOM 0 H GLY A 11 -2.223 -10.698 7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.263 -11.548 8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.714 -10.847 6.962 1.00 0.00 H new ATOM 177 N VAL A 12 -0.773 -8.678 8.892 1.00 0.00 N ATOM 178 CA VAL A 12 -0.528 -7.500 9.774 1.00 0.00 C ATOM 179 C VAL A 12 -0.128 -7.978 11.172 1.00 0.00 C ATOM 180 O VAL A 12 -0.699 -8.910 11.705 1.00 0.00 O ATOM 181 CB VAL A 12 -1.808 -6.669 9.874 1.00 0.00 C ATOM 182 CG1 VAL A 12 -2.895 -7.488 10.570 1.00 0.00 C ATOM 183 CG2 VAL A 12 -1.535 -5.401 10.685 1.00 0.00 C ATOM 0 H VAL A 12 -1.742 -8.805 8.602 1.00 0.00 H new ATOM 0 HA VAL A 12 0.275 -6.894 9.354 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.139 -6.396 8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.807 -6.896 10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.094 -8.392 9.995 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.560 -7.761 11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.448 -4.810 10.755 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.202 -5.674 11.686 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.760 -4.814 10.192 1.00 0.00 H new ATOM 193 N SER A 13 0.841 -7.346 11.773 1.00 0.00 N ATOM 194 CA SER A 13 1.263 -7.764 13.138 1.00 0.00 C ATOM 195 C SER A 13 0.206 -7.320 14.151 1.00 0.00 C ATOM 196 O SER A 13 -0.101 -8.023 15.095 1.00 0.00 O ATOM 197 CB SER A 13 2.602 -7.109 13.485 1.00 0.00 C ATOM 198 OG SER A 13 3.532 -7.358 12.438 1.00 0.00 O ATOM 0 H SER A 13 1.358 -6.560 11.379 1.00 0.00 H new ATOM 0 HA SER A 13 1.371 -8.848 13.168 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.470 -6.036 13.622 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.981 -7.507 14.426 1.00 0.00 H new ATOM 0 HG SER A 13 4.390 -6.938 12.656 1.00 0.00 H new ATOM 204 N LYS A 14 -0.359 -6.155 13.962 1.00 0.00 N ATOM 205 CA LYS A 14 -1.395 -5.667 14.916 1.00 0.00 C ATOM 206 C LYS A 14 -2.073 -4.412 14.340 1.00 0.00 C ATOM 207 O LYS A 14 -1.592 -3.810 13.401 1.00 0.00 O ATOM 208 CB LYS A 14 -0.725 -5.345 16.269 1.00 0.00 C ATOM 209 CG LYS A 14 -0.216 -3.896 16.283 1.00 0.00 C ATOM 210 CD LYS A 14 0.792 -3.699 17.412 1.00 0.00 C ATOM 211 CE LYS A 14 0.074 -3.728 18.765 1.00 0.00 C ATOM 212 NZ LYS A 14 1.021 -3.317 19.840 1.00 0.00 N ATOM 0 H LYS A 14 -0.147 -5.523 13.190 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.153 -6.435 15.068 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.438 -5.495 17.080 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.104 -6.030 16.443 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.248 -3.657 15.326 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.054 -3.210 16.411 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.549 -4.482 17.376 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.310 -2.749 17.286 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.785 -3.058 18.747 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.307 -4.729 18.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.533 -3.337 20.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.827 -3.973 19.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.364 -2.354 19.651 1.00 0.00 H new ATOM 226 N VAL A 15 -3.177 -4.009 14.912 1.00 0.00 N ATOM 227 CA VAL A 15 -3.881 -2.784 14.425 1.00 0.00 C ATOM 228 C VAL A 15 -3.500 -1.599 15.319 1.00 0.00 C ATOM 229 O VAL A 15 -4.074 -1.392 16.371 1.00 0.00 O ATOM 230 CB VAL A 15 -5.394 -3.014 14.491 1.00 0.00 C ATOM 231 CG1 VAL A 15 -6.124 -1.869 13.786 1.00 0.00 C ATOM 232 CG2 VAL A 15 -5.731 -4.335 13.795 1.00 0.00 C ATOM 0 H VAL A 15 -3.624 -4.478 15.700 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.591 -2.572 13.396 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.710 -3.053 15.534 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.200 -2.038 13.836 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.881 -0.926 14.276 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.812 -1.826 12.743 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.807 -4.505 13.838 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.413 -4.289 12.754 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.214 -5.153 14.297 1.00 0.00 H new ATOM 242 N GLN A 16 -2.533 -0.820 14.912 1.00 0.00 N ATOM 243 CA GLN A 16 -2.112 0.347 15.740 1.00 0.00 C ATOM 244 C GLN A 16 -3.259 1.361 15.814 1.00 0.00 C ATOM 245 O GLN A 16 -3.511 1.956 16.845 1.00 0.00 O ATOM 246 CB GLN A 16 -0.877 0.999 15.109 1.00 0.00 C ATOM 247 CG GLN A 16 -0.390 2.154 15.987 1.00 0.00 C ATOM 248 CD GLN A 16 0.848 2.790 15.353 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.783 3.317 14.260 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.985 2.757 15.994 1.00 0.00 N ATOM 0 H GLN A 16 -2.016 -0.942 14.041 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.865 0.013 16.748 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.084 0.260 14.993 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.119 1.366 14.112 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.178 2.899 16.097 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.153 1.790 16.987 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.041 2.315 16.912 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.818 3.173 15.577 1.00 0.00 H new ATOM 259 N SER A 17 -3.958 1.561 14.730 1.00 0.00 N ATOM 260 CA SER A 17 -5.091 2.530 14.738 1.00 0.00 C ATOM 261 C SER A 17 -5.902 2.369 13.450 1.00 0.00 C ATOM 262 O SER A 17 -5.389 1.954 12.430 1.00 0.00 O ATOM 263 CB SER A 17 -4.550 3.959 14.834 1.00 0.00 C ATOM 264 OG SER A 17 -5.592 4.824 15.270 1.00 0.00 O ATOM 0 H SER A 17 -3.793 1.095 13.838 1.00 0.00 H new ATOM 0 HA SER A 17 -5.731 2.334 15.598 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.713 3.998 15.531 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.173 4.284 13.864 1.00 0.00 H new ATOM 0 HG SER A 17 -5.251 5.740 15.335 1.00 0.00 H new ATOM 270 N PHE A 18 -7.169 2.694 13.489 1.00 0.00 N ATOM 271 CA PHE A 18 -8.024 2.559 12.271 1.00 0.00 C ATOM 272 C PHE A 18 -9.086 3.666 12.268 1.00 0.00 C ATOM 273 O PHE A 18 -10.028 3.631 13.035 1.00 0.00 O ATOM 274 CB PHE A 18 -8.703 1.182 12.287 1.00 0.00 C ATOM 275 CG PHE A 18 -9.784 1.128 11.227 1.00 0.00 C ATOM 276 CD1 PHE A 18 -9.440 0.977 9.879 1.00 0.00 C ATOM 277 CD2 PHE A 18 -11.129 1.241 11.599 1.00 0.00 C ATOM 278 CE1 PHE A 18 -10.444 0.937 8.903 1.00 0.00 C ATOM 279 CE2 PHE A 18 -12.131 1.200 10.625 1.00 0.00 C ATOM 280 CZ PHE A 18 -11.789 1.048 9.276 1.00 0.00 C ATOM 0 H PHE A 18 -7.650 3.049 14.316 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.412 2.651 11.374 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.965 0.401 12.106 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.135 0.991 13.269 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.402 0.891 9.592 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.393 1.360 12.640 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.180 0.820 7.862 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.168 1.286 10.913 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.563 1.016 8.523 1.00 0.00 H new ATOM 290 N ASP A 19 -8.943 4.644 11.400 1.00 0.00 N ATOM 291 CA ASP A 19 -9.946 5.760 11.328 1.00 0.00 C ATOM 292 C ASP A 19 -10.316 6.002 9.849 1.00 0.00 C ATOM 293 O ASP A 19 -9.564 5.642 8.966 1.00 0.00 O ATOM 294 CB ASP A 19 -9.328 7.037 11.924 1.00 0.00 C ATOM 295 CG ASP A 19 -9.472 7.026 13.449 1.00 0.00 C ATOM 296 OD1 ASP A 19 -9.280 5.974 14.036 1.00 0.00 O ATOM 297 OD2 ASP A 19 -9.770 8.073 14.002 1.00 0.00 O ATOM 0 H ASP A 19 -8.172 4.717 10.736 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.841 5.497 11.892 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.275 7.103 11.650 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.821 7.917 11.510 1.00 0.00 H new ATOM 302 N PRO A 20 -11.455 6.612 9.556 1.00 0.00 N ATOM 303 CA PRO A 20 -11.862 6.881 8.138 1.00 0.00 C ATOM 304 C PRO A 20 -10.896 7.845 7.431 1.00 0.00 C ATOM 305 O PRO A 20 -10.780 7.845 6.223 1.00 0.00 O ATOM 306 CB PRO A 20 -13.264 7.516 8.255 1.00 0.00 C ATOM 307 CG PRO A 20 -13.737 7.175 9.631 1.00 0.00 C ATOM 308 CD PRO A 20 -12.480 7.112 10.498 1.00 0.00 C ATOM 0 HA PRO A 20 -11.853 5.969 7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.220 8.595 8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.940 7.120 7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.432 7.928 10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.265 6.222 9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.217 8.090 10.900 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.609 6.442 11.348 1.00 0.00 H new ATOM 316 N LYS A 21 -10.225 8.685 8.181 1.00 0.00 N ATOM 317 CA LYS A 21 -9.282 9.677 7.569 1.00 0.00 C ATOM 318 C LYS A 21 -7.831 9.253 7.817 1.00 0.00 C ATOM 319 O LYS A 21 -6.903 9.945 7.453 1.00 0.00 O ATOM 320 CB LYS A 21 -9.535 11.051 8.193 1.00 0.00 C ATOM 321 CG LYS A 21 -10.966 11.488 7.871 1.00 0.00 C ATOM 322 CD LYS A 21 -11.226 12.905 8.399 1.00 0.00 C ATOM 323 CE LYS A 21 -11.318 12.898 9.929 1.00 0.00 C ATOM 324 NZ LYS A 21 -11.935 14.174 10.388 1.00 0.00 N ATOM 0 H LYS A 21 -10.290 8.727 9.198 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.450 9.722 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.388 11.007 9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.823 11.778 7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.128 11.460 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.675 10.791 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.425 13.571 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.152 13.294 7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.914 12.050 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.325 12.783 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.000 14.175 11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.349 14.975 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.888 14.265 9.982 1.00 0.00 H new ATOM 338 N GLU A 22 -7.625 8.118 8.427 1.00 0.00 N ATOM 339 CA GLU A 22 -6.230 7.656 8.685 1.00 0.00 C ATOM 340 C GLU A 22 -6.258 6.222 9.213 1.00 0.00 C ATOM 341 O GLU A 22 -7.020 5.894 10.098 1.00 0.00 O ATOM 342 CB GLU A 22 -5.565 8.565 9.722 1.00 0.00 C ATOM 343 CG GLU A 22 -4.114 8.118 9.944 1.00 0.00 C ATOM 344 CD GLU A 22 -3.442 9.045 10.957 1.00 0.00 C ATOM 345 OE1 GLU A 22 -3.452 10.243 10.733 1.00 0.00 O ATOM 346 OE2 GLU A 22 -2.923 8.539 11.941 1.00 0.00 O ATOM 0 H GLU A 22 -8.359 7.492 8.757 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.662 7.694 7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.589 9.600 9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.116 8.525 10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.091 7.090 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.568 8.137 9.001 1.00 0.00 H new ATOM 353 N ILE A 23 -5.421 5.366 8.680 1.00 0.00 N ATOM 354 CA ILE A 23 -5.375 3.948 9.154 1.00 0.00 C ATOM 355 C ILE A 23 -3.922 3.558 9.433 1.00 0.00 C ATOM 356 O ILE A 23 -3.058 3.715 8.593 1.00 0.00 O ATOM 357 CB ILE A 23 -5.970 3.033 8.079 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.456 3.367 7.905 1.00 0.00 C ATOM 359 CG2 ILE A 23 -5.813 1.570 8.504 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.011 2.638 6.679 1.00 0.00 C ATOM 0 H ILE A 23 -4.764 5.590 7.933 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.956 3.843 10.070 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.448 3.186 7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.011 3.074 8.796 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.585 4.443 7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.237 0.921 7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.755 1.339 8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.335 1.407 9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.067 2.879 6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.465 2.953 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.897 1.562 6.813 1.00 0.00 H new ATOM 372 N LEU A 24 -3.648 3.056 10.616 1.00 0.00 N ATOM 373 CA LEU A 24 -2.251 2.655 10.978 1.00 0.00 C ATOM 374 C LEU A 24 -2.213 1.148 11.255 1.00 0.00 C ATOM 375 O LEU A 24 -2.917 0.651 12.110 1.00 0.00 O ATOM 376 CB LEU A 24 -1.824 3.400 12.245 1.00 0.00 C ATOM 377 CG LEU A 24 -2.079 4.904 12.081 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.641 5.632 13.353 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.292 5.441 10.877 1.00 0.00 C ATOM 0 H LEU A 24 -4.339 2.906 11.351 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.577 2.900 10.157 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.378 3.021 13.104 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.767 3.221 12.443 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.142 5.074 11.911 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.821 6.701 13.240 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.211 5.256 14.202 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.579 5.459 13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.479 6.509 10.768 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.227 5.273 11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.611 4.922 9.973 1.00 0.00 H new ATOM 391 N LEU A 25 -1.395 0.419 10.536 1.00 0.00 N ATOM 392 CA LEU A 25 -1.297 -1.062 10.746 1.00 0.00 C ATOM 393 C LEU A 25 0.182 -1.456 10.808 1.00 0.00 C ATOM 394 O LEU A 25 0.936 -1.169 9.901 1.00 0.00 O ATOM 395 CB LEU A 25 -1.960 -1.770 9.558 1.00 0.00 C ATOM 396 CG LEU A 25 -3.437 -1.372 9.467 1.00 0.00 C ATOM 397 CD1 LEU A 25 -4.026 -1.919 8.163 1.00 0.00 C ATOM 398 CD2 LEU A 25 -4.220 -1.941 10.666 1.00 0.00 C ATOM 0 H LEU A 25 -0.785 0.788 9.806 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.793 -1.348 11.673 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.446 -1.505 8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.873 -2.850 9.673 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.516 -0.285 9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.077 -1.639 8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.482 -1.503 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.939 -3.005 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.268 -1.650 10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.145 -3.028 10.667 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.803 -1.548 11.593 1.00 0.00 H new ATOM 410 N GLU A 26 0.619 -2.112 11.863 1.00 0.00 N ATOM 411 CA GLU A 26 2.063 -2.502 11.944 1.00 0.00 C ATOM 412 C GLU A 26 2.253 -3.903 11.359 1.00 0.00 C ATOM 413 O GLU A 26 1.607 -4.851 11.763 1.00 0.00 O ATOM 414 CB GLU A 26 2.531 -2.462 13.401 1.00 0.00 C ATOM 415 CG GLU A 26 4.051 -2.655 13.463 1.00 0.00 C ATOM 416 CD GLU A 26 4.561 -2.238 14.844 1.00 0.00 C ATOM 417 OE1 GLU A 26 4.437 -3.025 15.765 1.00 0.00 O ATOM 418 OE2 GLU A 26 5.067 -1.131 14.955 1.00 0.00 O ATOM 0 H GLU A 26 0.045 -2.390 12.659 1.00 0.00 H new ATOM 0 HA GLU A 26 2.661 -1.797 11.367 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.257 -1.509 13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.032 -3.243 13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.304 -3.697 13.269 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.536 -2.060 12.689 1.00 0.00 H new ATOM 425 N THR A 27 3.134 -4.026 10.392 1.00 0.00 N ATOM 426 CA THR A 27 3.389 -5.350 9.737 1.00 0.00 C ATOM 427 C THR A 27 4.881 -5.693 9.825 1.00 0.00 C ATOM 428 O THR A 27 5.730 -4.823 9.897 1.00 0.00 O ATOM 429 CB THR A 27 2.983 -5.266 8.261 1.00 0.00 C ATOM 430 OG1 THR A 27 3.276 -6.501 7.621 1.00 0.00 O ATOM 431 CG2 THR A 27 3.763 -4.139 7.577 1.00 0.00 C ATOM 0 H THR A 27 3.693 -3.256 10.025 1.00 0.00 H new ATOM 0 HA THR A 27 2.808 -6.121 10.243 1.00 0.00 H new ATOM 0 HB THR A 27 1.915 -5.061 8.189 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.481 -6.339 6.676 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.473 -4.081 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.540 -3.192 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.832 -4.341 7.647 1.00 0.00 H new ATOM 439 N ILE A 28 5.193 -6.962 9.810 1.00 0.00 N ATOM 440 CA ILE A 28 6.617 -7.401 9.888 1.00 0.00 C ATOM 441 C ILE A 28 7.355 -6.606 10.973 1.00 0.00 C ATOM 442 O ILE A 28 7.431 -7.027 12.111 1.00 0.00 O ATOM 443 CB ILE A 28 7.296 -7.193 8.527 1.00 0.00 C ATOM 444 CG1 ILE A 28 6.408 -7.758 7.412 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.649 -7.907 8.513 1.00 0.00 C ATOM 446 CD1 ILE A 28 5.999 -9.201 7.728 1.00 0.00 C ATOM 0 H ILE A 28 4.514 -7.721 9.746 1.00 0.00 H new ATOM 0 HA ILE A 28 6.652 -8.459 10.147 1.00 0.00 H new ATOM 0 HB ILE A 28 7.447 -6.126 8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.518 -7.138 7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.942 -7.725 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.129 -7.758 7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.284 -7.499 9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.500 -8.973 8.683 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.369 -9.585 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.891 -9.821 7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.445 -9.225 8.667 1.00 0.00 H new ATOM 458 N GLN A 29 7.910 -5.469 10.637 1.00 0.00 N ATOM 459 CA GLN A 29 8.653 -4.658 11.651 1.00 0.00 C ATOM 460 C GLN A 29 8.418 -3.164 11.409 1.00 0.00 C ATOM 461 O GLN A 29 8.669 -2.342 12.269 1.00 0.00 O ATOM 462 CB GLN A 29 10.149 -4.951 11.515 1.00 0.00 C ATOM 463 CG GLN A 29 10.582 -4.702 10.065 1.00 0.00 C ATOM 464 CD GLN A 29 12.079 -4.972 9.916 1.00 0.00 C ATOM 465 OE1 GLN A 29 12.839 -4.778 10.844 1.00 0.00 O ATOM 466 NE2 GLN A 29 12.537 -5.412 8.776 1.00 0.00 N ATOM 0 H GLN A 29 7.881 -5.065 9.701 1.00 0.00 H new ATOM 0 HA GLN A 29 8.300 -4.919 12.649 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.719 -4.315 12.192 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.357 -5.983 11.797 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.018 -5.348 9.392 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.359 -3.674 9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.898 -5.574 7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.534 -5.594 8.663 1.00 0.00 H new ATOM 475 N GLY A 30 7.953 -2.799 10.242 1.00 0.00 N ATOM 476 CA GLY A 30 7.720 -1.352 9.942 1.00 0.00 C ATOM 477 C GLY A 30 6.255 -0.995 10.189 1.00 0.00 C ATOM 478 O GLY A 30 5.435 -1.851 10.455 1.00 0.00 O ATOM 0 H GLY A 30 7.724 -3.440 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.364 -0.734 10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.985 -1.140 8.906 1.00 0.00 H new ATOM 482 N VAL A 31 5.925 0.272 10.091 1.00 0.00 N ATOM 483 CA VAL A 31 4.513 0.720 10.303 1.00 0.00 C ATOM 484 C VAL A 31 4.022 1.425 9.039 1.00 0.00 C ATOM 485 O VAL A 31 4.689 2.283 8.500 1.00 0.00 O ATOM 486 CB VAL A 31 4.451 1.680 11.497 1.00 0.00 C ATOM 487 CG1 VAL A 31 3.066 2.329 11.565 1.00 0.00 C ATOM 488 CG2 VAL A 31 4.708 0.897 12.788 1.00 0.00 C ATOM 0 H VAL A 31 6.581 1.021 9.871 1.00 0.00 H new ATOM 0 HA VAL A 31 3.877 -0.141 10.511 1.00 0.00 H new ATOM 0 HB VAL A 31 5.208 2.455 11.379 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.025 3.011 12.415 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.878 2.883 10.645 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.307 1.556 11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.665 1.576 13.640 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.949 0.123 12.902 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.694 0.434 12.743 1.00 0.00 H new ATOM 498 N LEU A 32 2.859 1.062 8.557 1.00 0.00 N ATOM 499 CA LEU A 32 2.311 1.698 7.317 1.00 0.00 C ATOM 500 C LEU A 32 1.154 2.624 7.686 1.00 0.00 C ATOM 501 O LEU A 32 0.209 2.222 8.336 1.00 0.00 O ATOM 502 CB LEU A 32 1.810 0.597 6.374 1.00 0.00 C ATOM 503 CG LEU A 32 1.217 1.211 5.096 1.00 0.00 C ATOM 504 CD1 LEU A 32 2.268 2.077 4.385 1.00 0.00 C ATOM 505 CD2 LEU A 32 0.765 0.079 4.165 1.00 0.00 C ATOM 0 H LEU A 32 2.261 0.347 8.972 1.00 0.00 H new ATOM 0 HA LEU A 32 3.090 2.279 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.632 -0.071 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.055 -0.006 6.879 1.00 0.00 H new ATOM 0 HG LEU A 32 0.366 1.841 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.835 2.506 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.589 2.879 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.127 1.461 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.342 0.504 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.621 -0.546 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.010 -0.526 4.668 1.00 0.00 H new ATOM 517 N SER A 33 1.223 3.866 7.267 1.00 0.00 N ATOM 518 CA SER A 33 0.136 4.846 7.577 1.00 0.00 C ATOM 519 C SER A 33 -0.517 5.311 6.273 1.00 0.00 C ATOM 520 O SER A 33 0.143 5.806 5.382 1.00 0.00 O ATOM 521 CB SER A 33 0.735 6.051 8.300 1.00 0.00 C ATOM 522 OG SER A 33 1.464 5.603 9.435 1.00 0.00 O ATOM 0 H SER A 33 1.995 4.245 6.718 1.00 0.00 H new ATOM 0 HA SER A 33 -0.613 4.372 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.391 6.604 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.056 6.735 8.608 1.00 0.00 H new ATOM 0 HG SER A 33 1.851 6.374 9.900 1.00 0.00 H new ATOM 528 N ILE A 34 -1.813 5.153 6.159 1.00 0.00 N ATOM 529 CA ILE A 34 -2.534 5.582 4.918 1.00 0.00 C ATOM 530 C ILE A 34 -3.357 6.834 5.221 1.00 0.00 C ATOM 531 O ILE A 34 -4.099 6.877 6.182 1.00 0.00 O ATOM 532 CB ILE A 34 -3.470 4.460 4.463 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.649 3.211 4.133 1.00 0.00 C ATOM 534 CG2 ILE A 34 -4.237 4.909 3.217 1.00 0.00 C ATOM 535 CD1 ILE A 34 -3.588 2.021 3.930 1.00 0.00 C ATOM 0 H ILE A 34 -2.408 4.742 6.878 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.812 5.798 4.131 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.175 4.230 5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.058 3.379 3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.947 3.000 4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.904 4.110 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.823 5.798 3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.531 5.139 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.003 1.132 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.160 1.849 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.272 2.233 3.108 1.00 0.00 H new ATOM 547 N LYS A 35 -3.230 7.856 4.406 1.00 0.00 N ATOM 548 CA LYS A 35 -4.000 9.122 4.633 1.00 0.00 C ATOM 549 C LYS A 35 -4.806 9.466 3.379 1.00 0.00 C ATOM 550 O LYS A 35 -4.337 9.337 2.264 1.00 0.00 O ATOM 551 CB LYS A 35 -3.025 10.261 4.938 1.00 0.00 C ATOM 552 CG LYS A 35 -2.372 10.025 6.302 1.00 0.00 C ATOM 553 CD LYS A 35 -1.373 11.148 6.590 1.00 0.00 C ATOM 554 CE LYS A 35 -0.713 10.908 7.947 1.00 0.00 C ATOM 555 NZ LYS A 35 -1.734 11.040 9.025 1.00 0.00 N ATOM 0 H LYS A 35 -2.621 7.867 3.588 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.680 8.986 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.261 10.317 4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.552 11.215 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.134 9.993 7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.864 9.061 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.616 11.185 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.882 12.112 6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.265 9.915 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.092 11.626 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.258 11.148 9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.326 11.875 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.331 10.189 9.043 1.00 0.00 H new ATOM 569 N GLY A 36 -6.022 9.906 3.564 1.00 0.00 N ATOM 570 CA GLY A 36 -6.885 10.261 2.404 1.00 0.00 C ATOM 571 C GLY A 36 -8.302 10.538 2.912 1.00 0.00 C ATOM 572 O GLY A 36 -8.488 11.034 4.005 1.00 0.00 O ATOM 0 H GLY A 36 -6.456 10.035 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.489 11.138 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.896 9.448 1.679 1.00 0.00 H new ATOM 576 N GLU A 37 -9.309 10.214 2.136 1.00 0.00 N ATOM 577 CA GLU A 37 -10.717 10.450 2.588 1.00 0.00 C ATOM 578 C GLU A 37 -11.602 9.278 2.160 1.00 0.00 C ATOM 579 O GLU A 37 -11.343 8.616 1.175 1.00 0.00 O ATOM 580 CB GLU A 37 -11.264 11.739 1.973 1.00 0.00 C ATOM 581 CG GLU A 37 -10.521 12.941 2.557 1.00 0.00 C ATOM 582 CD GLU A 37 -11.227 14.230 2.130 1.00 0.00 C ATOM 583 OE1 GLU A 37 -12.110 14.665 2.855 1.00 0.00 O ATOM 584 OE2 GLU A 37 -10.874 14.763 1.092 1.00 0.00 O ATOM 0 H GLU A 37 -9.217 9.797 1.210 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.721 10.539 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.145 11.716 0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.332 11.826 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.492 12.872 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.487 12.947 2.211 1.00 0.00 H new ATOM 591 N LYS A 38 -12.647 9.025 2.901 1.00 0.00 N ATOM 592 CA LYS A 38 -13.572 7.901 2.567 1.00 0.00 C ATOM 593 C LYS A 38 -12.798 6.578 2.538 1.00 0.00 C ATOM 594 O LYS A 38 -12.838 5.847 1.568 1.00 0.00 O ATOM 595 CB LYS A 38 -14.218 8.140 1.193 1.00 0.00 C ATOM 596 CG LYS A 38 -14.846 9.543 1.111 1.00 0.00 C ATOM 597 CD LYS A 38 -16.051 9.658 2.055 1.00 0.00 C ATOM 598 CE LYS A 38 -16.714 11.023 1.863 1.00 0.00 C ATOM 599 NZ LYS A 38 -17.938 11.102 2.709 1.00 0.00 N ATOM 0 H LYS A 38 -12.903 9.555 3.734 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.350 7.851 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.467 8.028 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.983 7.385 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.101 10.295 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.160 9.746 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.766 8.861 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.730 9.539 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.019 11.818 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.973 11.169 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.390 12.030 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.602 10.351 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.678 10.980 3.708 1.00 0.00 H new ATOM 613 N LEU A 39 -12.116 6.251 3.607 1.00 0.00 N ATOM 614 CA LEU A 39 -11.366 4.956 3.657 1.00 0.00 C ATOM 615 C LEU A 39 -12.272 3.908 4.308 1.00 0.00 C ATOM 616 O LEU A 39 -12.053 3.494 5.429 1.00 0.00 O ATOM 617 CB LEU A 39 -10.093 5.126 4.498 1.00 0.00 C ATOM 618 CG LEU A 39 -9.012 5.823 3.668 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.568 7.123 3.087 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.810 6.138 4.560 1.00 0.00 C ATOM 0 H LEU A 39 -12.045 6.824 4.448 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.084 4.645 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.312 5.711 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.735 4.153 4.834 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.702 5.167 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.796 7.617 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.425 6.900 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.880 7.780 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.039 6.634 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.122 6.793 5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.411 5.212 4.973 1.00 0.00 H new ATOM 632 N GLY A 40 -13.302 3.494 3.618 1.00 0.00 N ATOM 633 CA GLY A 40 -14.242 2.492 4.199 1.00 0.00 C ATOM 634 C GLY A 40 -13.741 1.068 3.945 1.00 0.00 C ATOM 635 O GLY A 40 -13.178 0.770 2.910 1.00 0.00 O ATOM 0 H GLY A 40 -13.533 3.808 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.344 2.661 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.232 2.618 3.761 1.00 0.00 H new ATOM 639 N LEU A 46 -15.055 -11.260 7.425 1.00 0.00 N ATOM 640 CA LEU A 46 -13.662 -11.458 6.933 1.00 0.00 C ATOM 641 C LEU A 46 -13.635 -12.598 5.916 1.00 0.00 C ATOM 642 O LEU A 46 -14.100 -13.691 6.172 1.00 0.00 O ATOM 643 CB LEU A 46 -12.746 -11.801 8.114 1.00 0.00 C ATOM 644 CG LEU A 46 -12.402 -10.529 8.907 1.00 0.00 C ATOM 645 CD1 LEU A 46 -11.483 -9.600 8.085 1.00 0.00 C ATOM 646 CD2 LEU A 46 -13.699 -9.789 9.269 1.00 0.00 C ATOM 0 HA LEU A 46 -13.312 -10.542 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -13.237 -12.523 8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.832 -12.270 7.750 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.873 -10.816 9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.254 -8.707 8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.558 -10.124 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.988 -9.312 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.458 -8.887 9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.230 -9.517 8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.330 -10.437 9.876 1.00 0.00 H new ATOM 658 N LYS A 47 -13.088 -12.340 4.762 1.00 0.00 N ATOM 659 CA LYS A 47 -13.011 -13.388 3.707 1.00 0.00 C ATOM 660 C LYS A 47 -12.117 -14.531 4.169 1.00 0.00 C ATOM 661 O LYS A 47 -12.468 -15.692 4.086 1.00 0.00 O ATOM 662 CB LYS A 47 -12.395 -12.750 2.453 1.00 0.00 C ATOM 663 CG LYS A 47 -13.483 -12.029 1.642 1.00 0.00 C ATOM 664 CD LYS A 47 -14.159 -13.027 0.685 1.00 0.00 C ATOM 665 CE LYS A 47 -13.357 -13.123 -0.618 1.00 0.00 C ATOM 666 NZ LYS A 47 -14.016 -14.089 -1.541 1.00 0.00 N ATOM 0 H LYS A 47 -12.687 -11.439 4.502 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.007 -13.780 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.616 -12.044 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.921 -13.517 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.224 -11.595 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.045 -11.207 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.225 -14.008 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.179 -12.707 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.291 -12.142 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.337 -13.445 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.470 -14.153 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.057 -15.026 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.981 -13.764 -1.753 1.00 0.00 H new ATOM 680 N ALA A 48 -10.955 -14.204 4.633 1.00 0.00 N ATOM 681 CA ALA A 48 -10.012 -15.260 5.081 1.00 0.00 C ATOM 682 C ALA A 48 -8.922 -14.646 5.963 1.00 0.00 C ATOM 683 O ALA A 48 -7.791 -15.089 5.969 1.00 0.00 O ATOM 684 CB ALA A 48 -9.382 -15.900 3.846 1.00 0.00 C ATOM 0 H ALA A 48 -10.612 -13.248 4.724 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.544 -16.013 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.685 -16.679 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.163 -16.338 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.847 -15.141 3.276 1.00 0.00 H new ATOM 690 N GLY A 49 -9.255 -13.630 6.713 1.00 0.00 N ATOM 691 CA GLY A 49 -8.237 -12.988 7.600 1.00 0.00 C ATOM 692 C GLY A 49 -7.506 -11.879 6.839 1.00 0.00 C ATOM 693 O GLY A 49 -6.478 -11.398 7.271 1.00 0.00 O ATOM 0 H GLY A 49 -10.186 -13.216 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.722 -12.575 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.522 -13.734 7.947 1.00 0.00 H new ATOM 697 N GLN A 50 -8.035 -11.466 5.714 1.00 0.00 N ATOM 698 CA GLN A 50 -7.382 -10.378 4.916 1.00 0.00 C ATOM 699 C GLN A 50 -8.223 -9.107 5.039 1.00 0.00 C ATOM 700 O GLN A 50 -9.388 -9.166 5.378 1.00 0.00 O ATOM 701 CB GLN A 50 -7.310 -10.796 3.445 1.00 0.00 C ATOM 702 CG GLN A 50 -6.461 -12.062 3.308 1.00 0.00 C ATOM 703 CD GLN A 50 -6.215 -12.351 1.825 1.00 0.00 C ATOM 704 OE1 GLN A 50 -5.910 -11.455 1.062 1.00 0.00 O ATOM 705 NE2 GLN A 50 -6.325 -13.572 1.385 1.00 0.00 N ATOM 0 H GLN A 50 -8.895 -11.837 5.311 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.374 -10.198 5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.313 -10.976 3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.879 -9.991 2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.511 -11.934 3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.969 -12.906 3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.581 -14.324 2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.155 -13.776 0.400 1.00 0.00 H new ATOM 714 N VAL A 51 -7.649 -7.956 4.767 1.00 0.00 N ATOM 715 CA VAL A 51 -8.427 -6.676 4.871 1.00 0.00 C ATOM 716 C VAL A 51 -8.223 -5.836 3.607 1.00 0.00 C ATOM 717 O VAL A 51 -7.238 -5.972 2.908 1.00 0.00 O ATOM 718 CB VAL A 51 -7.951 -5.890 6.103 1.00 0.00 C ATOM 719 CG1 VAL A 51 -7.879 -6.827 7.309 1.00 0.00 C ATOM 720 CG2 VAL A 51 -6.559 -5.303 5.842 1.00 0.00 C ATOM 0 H VAL A 51 -6.677 -7.848 4.478 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.488 -6.905 4.974 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.655 -5.082 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.541 -6.270 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.866 -7.245 7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.178 -7.635 7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.228 -4.747 6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.856 -6.111 5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.602 -4.633 4.983 1.00 0.00 H new ATOM 730 N GLU A 52 -9.154 -4.965 3.312 1.00 0.00 N ATOM 731 CA GLU A 52 -9.037 -4.103 2.100 1.00 0.00 C ATOM 732 C GLU A 52 -9.588 -2.711 2.420 1.00 0.00 C ATOM 733 O GLU A 52 -10.463 -2.560 3.249 1.00 0.00 O ATOM 734 CB GLU A 52 -9.837 -4.734 0.957 1.00 0.00 C ATOM 735 CG GLU A 52 -9.761 -3.848 -0.292 1.00 0.00 C ATOM 736 CD GLU A 52 -10.755 -2.684 -0.188 1.00 0.00 C ATOM 737 OE1 GLU A 52 -11.646 -2.757 0.642 1.00 0.00 O ATOM 738 OE2 GLU A 52 -10.606 -1.736 -0.942 1.00 0.00 O ATOM 0 H GLU A 52 -9.998 -4.814 3.865 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.992 -4.015 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.445 -5.726 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.877 -4.863 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.749 -3.460 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.979 -4.442 -1.180 1.00 0.00 H new ATOM 745 N VAL A 53 -9.073 -1.691 1.774 1.00 0.00 N ATOM 746 CA VAL A 53 -9.548 -0.293 2.035 1.00 0.00 C ATOM 747 C VAL A 53 -9.958 0.377 0.722 1.00 0.00 C ATOM 748 O VAL A 53 -9.259 0.303 -0.270 1.00 0.00 O ATOM 749 CB VAL A 53 -8.413 0.511 2.675 1.00 0.00 C ATOM 750 CG1 VAL A 53 -8.867 1.955 2.893 1.00 0.00 C ATOM 751 CG2 VAL A 53 -8.044 -0.115 4.021 1.00 0.00 C ATOM 0 H VAL A 53 -8.338 -1.768 1.071 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.408 -0.326 2.704 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.545 0.500 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.058 2.526 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.132 2.402 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.736 1.968 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.236 0.456 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.914 -0.104 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.719 -1.144 3.867 1.00 0.00 H new ATOM 761 N GLU A 54 -11.087 1.045 0.718 1.00 0.00 N ATOM 762 CA GLU A 54 -11.570 1.747 -0.510 1.00 0.00 C ATOM 763 C GLU A 54 -11.570 3.251 -0.234 1.00 0.00 C ATOM 764 O GLU A 54 -12.153 3.717 0.728 1.00 0.00 O ATOM 765 CB GLU A 54 -13.001 1.279 -0.819 1.00 0.00 C ATOM 766 CG GLU A 54 -13.385 1.549 -2.283 1.00 0.00 C ATOM 767 CD GLU A 54 -12.860 2.911 -2.749 1.00 0.00 C ATOM 768 OE1 GLU A 54 -11.715 2.972 -3.166 1.00 0.00 O ATOM 769 OE2 GLU A 54 -13.612 3.867 -2.678 1.00 0.00 O ATOM 0 H GLU A 54 -11.702 1.134 1.527 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.925 1.525 -1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.088 0.213 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.702 1.791 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.980 0.762 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.469 1.518 -2.389 1.00 0.00 H new ATOM 776 N GLY A 55 -10.922 4.013 -1.070 1.00 0.00 N ATOM 777 CA GLY A 55 -10.886 5.488 -0.851 1.00 0.00 C ATOM 778 C GLY A 55 -9.769 6.118 -1.686 1.00 0.00 C ATOM 779 O GLY A 55 -9.014 5.436 -2.351 1.00 0.00 O ATOM 0 H GLY A 55 -10.418 3.681 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.846 5.927 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.726 5.703 0.206 1.00 0.00 H new ATOM 783 N LEU A 56 -9.662 7.423 -1.651 1.00 0.00 N ATOM 784 CA LEU A 56 -8.597 8.124 -2.431 1.00 0.00 C ATOM 785 C LEU A 56 -7.403 8.390 -1.511 1.00 0.00 C ATOM 786 O LEU A 56 -7.531 9.053 -0.504 1.00 0.00 O ATOM 787 CB LEU A 56 -9.142 9.465 -2.960 1.00 0.00 C ATOM 788 CG LEU A 56 -10.091 10.110 -1.918 1.00 0.00 C ATOM 789 CD1 LEU A 56 -10.017 11.640 -2.019 1.00 0.00 C ATOM 790 CD2 LEU A 56 -11.544 9.671 -2.170 1.00 0.00 C ATOM 0 H LEU A 56 -10.272 8.037 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.288 7.504 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.315 10.141 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.675 9.304 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.779 9.785 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.687 12.086 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.996 11.968 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.316 11.953 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.197 10.133 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.850 9.982 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.615 8.586 -2.090 1.00 0.00 H new ATOM 802 N ILE A 57 -6.243 7.892 -1.846 1.00 0.00 N ATOM 803 CA ILE A 57 -5.049 8.135 -0.978 1.00 0.00 C ATOM 804 C ILE A 57 -4.346 9.413 -1.446 1.00 0.00 C ATOM 805 O ILE A 57 -3.799 9.472 -2.530 1.00 0.00 O ATOM 806 CB ILE A 57 -4.096 6.938 -1.087 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.700 5.732 -0.355 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.743 7.282 -0.461 1.00 0.00 C ATOM 809 CD1 ILE A 57 -6.027 5.325 -1.006 1.00 0.00 C ATOM 0 H ILE A 57 -6.068 7.330 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.355 8.253 0.061 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.952 6.697 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.002 4.895 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.862 5.979 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.075 6.425 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.307 8.134 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.882 7.533 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.444 4.468 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.727 6.159 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.854 5.058 -2.049 1.00 0.00 H new ATOM 821 N ASP A 58 -4.358 10.436 -0.631 1.00 0.00 N ATOM 822 CA ASP A 58 -3.695 11.722 -1.015 1.00 0.00 C ATOM 823 C ASP A 58 -2.322 11.821 -0.350 1.00 0.00 C ATOM 824 O ASP A 58 -1.535 12.692 -0.669 1.00 0.00 O ATOM 825 CB ASP A 58 -4.561 12.892 -0.549 1.00 0.00 C ATOM 826 CG ASP A 58 -5.967 12.755 -1.137 1.00 0.00 C ATOM 827 OD1 ASP A 58 -6.077 12.682 -2.350 1.00 0.00 O ATOM 828 OD2 ASP A 58 -6.911 12.729 -0.364 1.00 0.00 O ATOM 0 H ASP A 58 -4.800 10.438 0.288 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.574 11.753 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.611 12.910 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.115 13.836 -0.863 1.00 0.00 H new ATOM 833 N ALA A 59 -2.018 10.950 0.578 1.00 0.00 N ATOM 834 CA ALA A 59 -0.688 11.031 1.251 1.00 0.00 C ATOM 835 C ALA A 59 -0.348 9.697 1.927 1.00 0.00 C ATOM 836 O ALA A 59 -1.208 9.006 2.435 1.00 0.00 O ATOM 837 CB ALA A 59 -0.723 12.145 2.302 1.00 0.00 C ATOM 0 H ALA A 59 -2.626 10.195 0.896 1.00 0.00 H new ATOM 0 HA ALA A 59 0.076 11.248 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.246 12.209 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.946 13.095 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.494 11.924 3.040 1.00 0.00 H new ATOM 843 N LEU A 60 0.916 9.344 1.942 1.00 0.00 N ATOM 844 CA LEU A 60 1.357 8.065 2.589 1.00 0.00 C ATOM 845 C LEU A 60 2.601 8.330 3.435 1.00 0.00 C ATOM 846 O LEU A 60 3.529 8.985 3.000 1.00 0.00 O ATOM 847 CB LEU A 60 1.688 7.027 1.501 1.00 0.00 C ATOM 848 CG LEU A 60 0.399 6.348 1.001 1.00 0.00 C ATOM 849 CD1 LEU A 60 0.613 5.807 -0.417 1.00 0.00 C ATOM 850 CD2 LEU A 60 0.026 5.174 1.927 1.00 0.00 C ATOM 0 H LEU A 60 1.670 9.893 1.529 1.00 0.00 H new ATOM 0 HA LEU A 60 0.558 7.682 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.198 7.512 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.371 6.277 1.900 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.404 7.085 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.302 5.328 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.869 6.629 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.424 5.079 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.887 4.701 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.835 4.444 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.135 5.546 2.939 1.00 0.00 H new ATOM 862 N VAL A 61 2.632 7.813 4.639 1.00 0.00 N ATOM 863 CA VAL A 61 3.821 8.013 5.525 1.00 0.00 C ATOM 864 C VAL A 61 4.278 6.662 6.083 1.00 0.00 C ATOM 865 O VAL A 61 3.515 5.930 6.682 1.00 0.00 O ATOM 866 CB VAL A 61 3.447 8.941 6.682 1.00 0.00 C ATOM 867 CG1 VAL A 61 4.651 9.105 7.613 1.00 0.00 C ATOM 868 CG2 VAL A 61 3.047 10.309 6.126 1.00 0.00 C ATOM 0 H VAL A 61 1.880 7.258 5.048 1.00 0.00 H new ATOM 0 HA VAL A 61 4.630 8.460 4.948 1.00 0.00 H new ATOM 0 HB VAL A 61 2.612 8.513 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.386 9.766 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.941 8.131 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.485 9.535 7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.780 10.972 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.884 10.736 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.192 10.195 5.460 1.00 0.00 H new ATOM 878 N TYR A 62 5.529 6.344 5.897 1.00 0.00 N ATOM 879 CA TYR A 62 6.084 5.060 6.418 1.00 0.00 C ATOM 880 C TYR A 62 7.501 5.352 6.940 1.00 0.00 C ATOM 881 O TYR A 62 8.296 5.920 6.220 1.00 0.00 O ATOM 882 CB TYR A 62 6.156 4.045 5.267 1.00 0.00 C ATOM 883 CG TYR A 62 6.931 2.821 5.707 1.00 0.00 C ATOM 884 CD1 TYR A 62 8.330 2.854 5.752 1.00 0.00 C ATOM 885 CD2 TYR A 62 6.247 1.657 6.074 1.00 0.00 C ATOM 886 CE1 TYR A 62 9.042 1.724 6.164 1.00 0.00 C ATOM 887 CE2 TYR A 62 6.962 0.524 6.484 1.00 0.00 C ATOM 888 CZ TYR A 62 8.360 0.560 6.530 1.00 0.00 C ATOM 889 OH TYR A 62 9.065 -0.554 6.933 1.00 0.00 O ATOM 0 H TYR A 62 6.201 6.927 5.399 1.00 0.00 H new ATOM 0 HA TYR A 62 5.459 4.652 7.213 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.150 3.758 4.960 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.637 4.498 4.400 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.859 3.752 5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.168 1.632 6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.121 1.750 6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.435 -0.376 6.764 1.00 0.00 H new ATOM 0 HH TYR A 62 9.760 -0.758 6.273 1.00 0.00 H new ATOM 899 N PRO A 63 7.843 4.994 8.163 1.00 0.00 N ATOM 900 CA PRO A 63 9.209 5.270 8.697 1.00 0.00 C ATOM 901 C PRO A 63 10.310 4.905 7.691 1.00 0.00 C ATOM 902 O PRO A 63 10.879 3.833 7.730 1.00 0.00 O ATOM 903 CB PRO A 63 9.298 4.398 9.956 1.00 0.00 C ATOM 904 CG PRO A 63 7.885 4.245 10.421 1.00 0.00 C ATOM 905 CD PRO A 63 7.001 4.308 9.166 1.00 0.00 C ATOM 0 HA PRO A 63 9.359 6.330 8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.748 3.430 9.735 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.916 4.870 10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.749 3.298 10.943 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.620 5.037 11.122 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.714 3.311 8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.079 4.858 9.355 1.00 0.00 H new ATOM 913 N LEU A 64 10.612 5.801 6.794 1.00 0.00 N ATOM 914 CA LEU A 64 11.669 5.542 5.779 1.00 0.00 C ATOM 915 C LEU A 64 13.009 6.050 6.308 1.00 0.00 C ATOM 916 O LEU A 64 13.921 6.324 5.557 1.00 0.00 O ATOM 917 CB LEU A 64 11.310 6.241 4.458 1.00 0.00 C ATOM 918 CG LEU A 64 11.523 7.765 4.541 1.00 0.00 C ATOM 919 CD1 LEU A 64 10.905 8.437 3.310 1.00 0.00 C ATOM 920 CD2 LEU A 64 10.866 8.343 5.799 1.00 0.00 C ATOM 0 H LEU A 64 10.164 6.715 6.721 1.00 0.00 H new ATOM 0 HA LEU A 64 11.743 4.471 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.920 5.832 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.270 6.032 4.207 1.00 0.00 H new ATOM 0 HG LEU A 64 12.595 7.957 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.056 9.515 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.382 8.053 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.837 8.222 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.031 9.420 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.795 8.141 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.304 7.880 6.683 1.00 0.00 H new ATOM 932 N GLU A 65 13.118 6.165 7.608 1.00 0.00 N ATOM 933 CA GLU A 65 14.384 6.638 8.246 1.00 0.00 C ATOM 934 C GLU A 65 14.628 8.109 7.915 1.00 0.00 C ATOM 935 O GLU A 65 14.096 8.640 6.961 1.00 0.00 O ATOM 936 CB GLU A 65 15.580 5.800 7.759 1.00 0.00 C ATOM 937 CG GLU A 65 15.243 4.283 7.787 1.00 0.00 C ATOM 938 CD GLU A 65 16.013 3.584 8.919 1.00 0.00 C ATOM 939 OE1 GLU A 65 15.618 3.741 10.061 1.00 0.00 O ATOM 940 OE2 GLU A 65 16.985 2.910 8.619 1.00 0.00 O ATOM 0 H GLU A 65 12.369 5.947 8.265 1.00 0.00 H new ATOM 0 HA GLU A 65 14.283 6.523 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.849 6.098 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.447 5.996 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.171 4.145 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.500 3.829 6.830 1.00 0.00 H new ATOM 947 N HIS A 66 15.434 8.770 8.711 1.00 0.00 N ATOM 948 CA HIS A 66 15.738 10.216 8.476 1.00 0.00 C ATOM 949 C HIS A 66 17.253 10.429 8.465 1.00 0.00 C ATOM 950 O HIS A 66 17.864 10.550 7.421 1.00 0.00 O ATOM 951 CB HIS A 66 15.119 11.049 9.603 1.00 0.00 C ATOM 952 CG HIS A 66 13.631 11.146 9.403 1.00 0.00 C ATOM 953 ND1 HIS A 66 12.723 10.665 10.335 1.00 0.00 N ATOM 954 CD2 HIS A 66 12.877 11.672 8.382 1.00 0.00 C ATOM 955 CE1 HIS A 66 11.486 10.909 9.863 1.00 0.00 C ATOM 956 NE2 HIS A 66 11.527 11.519 8.677 1.00 0.00 N ATOM 0 H HIS A 66 15.899 8.364 9.523 1.00 0.00 H new ATOM 0 HA HIS A 66 15.323 10.523 7.516 1.00 0.00 H new ATOM 0 HB2 HIS A 66 15.337 10.592 10.568 1.00 0.00 H new ATOM 0 HB3 HIS A 66 15.560 12.046 9.616 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.272 12.133 7.489 1.00 0.00 H new ATOM 0 HE1 HIS A 66 10.575 10.644 10.379 1.00 0.00 H new ATOM 0 HE2 HIS A 66 10.734 11.812 8.106 1.00 0.00 H new ATOM 964 N HIS A 67 17.862 10.485 9.616 1.00 0.00 N ATOM 965 CA HIS A 67 19.336 10.701 9.669 1.00 0.00 C ATOM 966 C HIS A 67 20.052 9.486 9.071 1.00 0.00 C ATOM 967 O HIS A 67 20.994 9.619 8.315 1.00 0.00 O ATOM 968 CB HIS A 67 19.770 10.897 11.128 1.00 0.00 C ATOM 969 CG HIS A 67 21.136 11.527 11.175 1.00 0.00 C ATOM 970 ND1 HIS A 67 21.539 12.479 10.247 1.00 0.00 N ATOM 971 CD2 HIS A 67 22.194 11.374 12.037 1.00 0.00 C ATOM 972 CE1 HIS A 67 22.787 12.860 10.572 1.00 0.00 C ATOM 973 NE2 HIS A 67 23.231 12.217 11.654 1.00 0.00 N ATOM 0 H HIS A 67 17.404 10.391 10.522 1.00 0.00 H new ATOM 0 HA HIS A 67 19.598 11.589 9.094 1.00 0.00 H new ATOM 0 HB2 HIS A 67 19.050 11.529 11.649 1.00 0.00 H new ATOM 0 HB3 HIS A 67 19.784 9.937 11.644 1.00 0.00 H new ATOM 0 HD2 HIS A 67 22.217 10.702 12.882 1.00 0.00 H new ATOM 0 HE1 HIS A 67 23.359 13.595 10.025 1.00 0.00 H new ATOM 0 HE2 HIS A 67 24.140 12.322 12.105 1.00 0.00 H new ATOM 981 N HIS A 68 19.605 8.302 9.399 1.00 0.00 N ATOM 982 CA HIS A 68 20.248 7.070 8.850 1.00 0.00 C ATOM 983 C HIS A 68 21.719 7.023 9.276 1.00 0.00 C ATOM 984 O HIS A 68 22.452 7.981 9.130 1.00 0.00 O ATOM 985 CB HIS A 68 20.151 7.077 7.318 1.00 0.00 C ATOM 986 CG HIS A 68 20.353 5.682 6.786 1.00 0.00 C ATOM 987 ND1 HIS A 68 20.989 4.692 7.523 1.00 0.00 N ATOM 988 CD2 HIS A 68 20.007 5.096 5.592 1.00 0.00 C ATOM 989 CE1 HIS A 68 21.003 3.573 6.774 1.00 0.00 C ATOM 990 NE2 HIS A 68 20.419 3.768 5.591 1.00 0.00 N ATOM 0 H HIS A 68 18.819 8.134 10.026 1.00 0.00 H new ATOM 0 HA HIS A 68 19.734 6.191 9.238 1.00 0.00 H new ATOM 0 HB2 HIS A 68 19.177 7.456 7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 68 20.902 7.747 6.900 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.494 5.590 4.780 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.433 2.635 7.092 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.300 3.086 4.842 1.00 0.00 H new ATOM 998 N HIS A 69 22.159 5.910 9.803 1.00 0.00 N ATOM 999 CA HIS A 69 23.582 5.789 10.245 1.00 0.00 C ATOM 1000 C HIS A 69 24.393 5.053 9.171 1.00 0.00 C ATOM 1001 O HIS A 69 23.919 4.125 8.548 1.00 0.00 O ATOM 1002 CB HIS A 69 23.632 5.005 11.559 1.00 0.00 C ATOM 1003 CG HIS A 69 23.063 5.849 12.669 1.00 0.00 C ATOM 1004 ND1 HIS A 69 22.174 6.888 12.426 1.00 0.00 N ATOM 1005 CD2 HIS A 69 23.243 5.821 14.031 1.00 0.00 C ATOM 1006 CE1 HIS A 69 21.857 7.438 13.613 1.00 0.00 C ATOM 1007 NE2 HIS A 69 22.482 6.825 14.619 1.00 0.00 N ATOM 0 H HIS A 69 21.591 5.075 9.947 1.00 0.00 H new ATOM 0 HA HIS A 69 24.007 6.781 10.395 1.00 0.00 H new ATOM 0 HB2 HIS A 69 23.065 4.079 11.464 1.00 0.00 H new ATOM 0 HB3 HIS A 69 24.660 4.727 11.790 1.00 0.00 H new ATOM 0 HD2 HIS A 69 23.877 5.127 14.562 1.00 0.00 H new ATOM 0 HE1 HIS A 69 21.181 8.271 13.735 1.00 0.00 H new ATOM 0 HE2 HIS A 69 22.416 7.046 15.612 1.00 0.00 H new ATOM 1015 N HIS A 70 25.613 5.470 8.955 1.00 0.00 N ATOM 1016 CA HIS A 70 26.473 4.812 7.926 1.00 0.00 C ATOM 1017 C HIS A 70 25.754 4.764 6.576 1.00 0.00 C ATOM 1018 O HIS A 70 24.619 5.179 6.444 1.00 0.00 O ATOM 1019 CB HIS A 70 26.811 3.386 8.366 1.00 0.00 C ATOM 1020 CG HIS A 70 27.763 3.432 9.528 1.00 0.00 C ATOM 1021 ND1 HIS A 70 28.827 4.324 9.577 1.00 0.00 N ATOM 1022 CD2 HIS A 70 27.832 2.700 10.687 1.00 0.00 C ATOM 1023 CE1 HIS A 70 29.485 4.106 10.731 1.00 0.00 C ATOM 1024 NE2 HIS A 70 28.920 3.129 11.442 1.00 0.00 N ATOM 0 H HIS A 70 26.054 6.244 9.451 1.00 0.00 H new ATOM 0 HA HIS A 70 27.389 5.393 7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 70 25.901 2.856 8.648 1.00 0.00 H new ATOM 0 HB3 HIS A 70 27.257 2.835 7.538 1.00 0.00 H new ATOM 0 HD2 HIS A 70 27.148 1.913 10.969 1.00 0.00 H new ATOM 0 HE1 HIS A 70 30.362 4.654 11.043 1.00 0.00 H new ATOM 0 HE2 HIS A 70 29.222 2.771 12.348 1.00 0.00 H new ATOM 1032 N HIS A 71 26.421 4.257 5.570 1.00 0.00 N ATOM 1033 CA HIS A 71 25.808 4.169 4.212 1.00 0.00 C ATOM 1034 C HIS A 71 25.098 2.819 4.062 1.00 0.00 C ATOM 1035 O HIS A 71 24.240 2.717 3.201 1.00 0.00 O ATOM 1036 CB HIS A 71 26.915 4.288 3.158 1.00 0.00 C ATOM 1037 CG HIS A 71 28.120 3.516 3.617 1.00 0.00 C ATOM 1038 ND1 HIS A 71 28.053 2.578 4.638 1.00 0.00 N ATOM 1039 CD2 HIS A 71 29.433 3.535 3.213 1.00 0.00 C ATOM 1040 CE1 HIS A 71 29.290 2.075 4.812 1.00 0.00 C ATOM 1041 NE2 HIS A 71 30.165 2.625 3.969 1.00 0.00 N ATOM 1042 OXT HIS A 71 25.427 1.912 4.808 1.00 0.00 O ATOM 0 H HIS A 71 27.373 3.897 5.634 1.00 0.00 H new ATOM 0 HA HIS A 71 25.085 4.973 4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 71 26.565 3.903 2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 71 27.176 5.335 3.004 1.00 0.00 H new ATOM 0 HD1 HIS A 71 27.218 2.317 5.162 1.00 0.00 H new ATOM 0 HD2 HIS A 71 29.835 4.160 2.429 1.00 0.00 H new ATOM 0 HE1 HIS A 71 29.542 1.321 5.543 1.00 0.00 H new TER 1050 HIS A 71 ATOM 1051 N MET B 1 9.445 -17.214 10.271 1.00 0.00 N ATOM 1052 CA MET B 1 8.462 -16.161 10.657 1.00 0.00 C ATOM 1053 C MET B 1 7.608 -15.796 9.438 1.00 0.00 C ATOM 1054 O MET B 1 6.565 -15.183 9.559 1.00 0.00 O ATOM 1055 CB MET B 1 9.214 -14.920 11.143 1.00 0.00 C ATOM 1056 CG MET B 1 10.055 -15.269 12.377 1.00 0.00 C ATOM 1057 SD MET B 1 8.976 -15.795 13.735 1.00 0.00 S ATOM 1058 CE MET B 1 8.169 -14.203 14.039 1.00 0.00 C ATOM 0 H1 MET B 1 9.847 -17.644 11.128 1.00 0.00 H new ATOM 0 H2 MET B 1 8.967 -17.946 9.708 1.00 0.00 H new ATOM 0 H3 MET B 1 10.208 -16.787 9.707 1.00 0.00 H new ATOM 0 HA MET B 1 7.819 -16.533 11.455 1.00 0.00 H new ATOM 0 HB2 MET B 1 9.857 -14.540 10.349 1.00 0.00 H new ATOM 0 HB3 MET B 1 8.506 -14.128 11.387 1.00 0.00 H new ATOM 0 HG2 MET B 1 10.760 -16.064 12.134 1.00 0.00 H new ATOM 0 HG3 MET B 1 10.643 -14.404 12.683 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.814 -14.166 15.069 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.882 -13.396 13.871 1.00 0.00 H new ATOM 0 HE3 MET B 1 7.324 -14.088 13.360 1.00 0.00 H new ATOM 1070 N ASP B 2 8.042 -16.171 8.264 1.00 0.00 N ATOM 1071 CA ASP B 2 7.259 -15.852 7.036 1.00 0.00 C ATOM 1072 C ASP B 2 6.821 -14.389 7.059 1.00 0.00 C ATOM 1073 O ASP B 2 5.754 -14.054 7.534 1.00 0.00 O ATOM 1074 CB ASP B 2 6.023 -16.747 6.971 1.00 0.00 C ATOM 1075 CG ASP B 2 5.391 -16.650 5.581 1.00 0.00 C ATOM 1076 OD1 ASP B 2 6.089 -16.267 4.656 1.00 0.00 O ATOM 1077 OD2 ASP B 2 4.216 -16.959 5.465 1.00 0.00 O ATOM 0 H ASP B 2 8.908 -16.686 8.103 1.00 0.00 H new ATOM 0 HA ASP B 2 7.886 -16.026 6.161 1.00 0.00 H new ATOM 0 HB2 ASP B 2 6.298 -17.780 7.185 1.00 0.00 H new ATOM 0 HB3 ASP B 2 5.302 -16.445 7.731 1.00 0.00 H new ATOM 1082 N ASN B 3 7.638 -13.516 6.537 1.00 0.00 N ATOM 1083 CA ASN B 3 7.286 -12.063 6.507 1.00 0.00 C ATOM 1084 C ASN B 3 6.753 -11.701 5.119 1.00 0.00 C ATOM 1085 O ASN B 3 6.586 -10.543 4.789 1.00 0.00 O ATOM 1086 CB ASN B 3 8.535 -11.230 6.810 1.00 0.00 C ATOM 1087 CG ASN B 3 9.714 -11.772 6.005 1.00 0.00 C ATOM 1088 OD1 ASN B 3 9.666 -11.732 4.703 1.00 0.00 O flip ATOM 1089 ND2 ASN B 3 10.687 -12.235 6.566 1.00 0.00 N flip ATOM 0 H ASN B 3 8.543 -13.747 6.126 1.00 0.00 H new ATOM 0 HA ASN B 3 6.522 -11.855 7.256 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.358 -10.184 6.558 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.760 -11.267 7.876 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.722 -12.265 7.585 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.469 -12.594 6.018 1.00 0.00 H new ATOM 1096 N ARG B 4 6.487 -12.685 4.302 1.00 0.00 N ATOM 1097 CA ARG B 4 5.964 -12.407 2.933 1.00 0.00 C ATOM 1098 C ARG B 4 4.508 -11.950 3.028 1.00 0.00 C ATOM 1099 O ARG B 4 3.743 -12.451 3.830 1.00 0.00 O ATOM 1100 CB ARG B 4 6.037 -13.689 2.094 1.00 0.00 C ATOM 1101 CG ARG B 4 7.499 -14.158 1.967 1.00 0.00 C ATOM 1102 CD ARG B 4 8.167 -13.488 0.761 1.00 0.00 C ATOM 1103 NE ARG B 4 7.672 -14.131 -0.489 1.00 0.00 N ATOM 1104 CZ ARG B 4 8.147 -15.289 -0.853 1.00 0.00 C ATOM 1105 NH1 ARG B 4 9.050 -15.880 -0.119 1.00 0.00 N ATOM 1106 NH2 ARG B 4 7.719 -15.861 -1.945 1.00 0.00 N ATOM 0 H ARG B 4 6.610 -13.673 4.525 1.00 0.00 H new ATOM 0 HA ARG B 4 6.563 -11.625 2.465 1.00 0.00 H new ATOM 0 HB2 ARG B 4 5.435 -14.471 2.558 1.00 0.00 H new ATOM 0 HB3 ARG B 4 5.618 -13.509 1.104 1.00 0.00 H new ATOM 0 HG2 ARG B 4 8.047 -13.915 2.877 1.00 0.00 H new ATOM 0 HG3 ARG B 4 7.533 -15.242 1.855 1.00 0.00 H new ATOM 0 HD2 ARG B 4 7.941 -12.422 0.750 1.00 0.00 H new ATOM 0 HD3 ARG B 4 9.251 -13.584 0.830 1.00 0.00 H new ATOM 0 HE ARG B 4 6.964 -13.667 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG B 4 9.382 -15.436 0.737 1.00 0.00 H new ATOM 0 HH12 ARG B 4 9.424 -16.786 -0.401 1.00 0.00 H new ATOM 0 HH21 ARG B 4 7.010 -15.402 -2.517 1.00 0.00 H new ATOM 0 HH22 ARG B 4 8.093 -16.767 -2.226 1.00 0.00 H new ATOM 1120 N GLN B 5 4.114 -11.010 2.211 1.00 0.00 N ATOM 1121 CA GLN B 5 2.700 -10.526 2.247 1.00 0.00 C ATOM 1122 C GLN B 5 2.273 -10.128 0.833 1.00 0.00 C ATOM 1123 O GLN B 5 3.094 -9.822 -0.009 1.00 0.00 O ATOM 1124 CB GLN B 5 2.593 -9.320 3.186 1.00 0.00 C ATOM 1125 CG GLN B 5 3.500 -8.194 2.690 1.00 0.00 C ATOM 1126 CD GLN B 5 3.499 -7.056 3.711 1.00 0.00 C ATOM 1127 OE1 GLN B 5 4.515 -6.438 3.953 1.00 0.00 O ATOM 1128 NE2 GLN B 5 2.389 -6.752 4.327 1.00 0.00 N ATOM 0 H GLN B 5 4.710 -10.555 1.519 1.00 0.00 H new ATOM 0 HA GLN B 5 2.047 -11.318 2.614 1.00 0.00 H new ATOM 0 HB2 GLN B 5 1.560 -8.974 3.232 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.877 -9.609 4.198 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.514 -8.566 2.544 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.152 -7.831 1.723 1.00 0.00 H new ATOM 0 HE21 GLN B 5 1.535 -7.271 4.124 1.00 0.00 H new ATOM 0 HE22 GLN B 5 2.376 -5.996 5.011 1.00 0.00 H new ATOM 1137 N PHE B 6 0.993 -10.141 0.562 1.00 0.00 N ATOM 1138 CA PHE B 6 0.506 -9.775 -0.804 1.00 0.00 C ATOM 1139 C PHE B 6 0.034 -8.320 -0.802 1.00 0.00 C ATOM 1140 O PHE B 6 -0.567 -7.855 0.144 1.00 0.00 O ATOM 1141 CB PHE B 6 -0.665 -10.688 -1.176 1.00 0.00 C ATOM 1142 CG PHE B 6 -0.239 -12.131 -1.051 1.00 0.00 C ATOM 1143 CD1 PHE B 6 -0.321 -12.774 0.190 1.00 0.00 C ATOM 1144 CD2 PHE B 6 0.229 -12.829 -2.171 1.00 0.00 C ATOM 1145 CE1 PHE B 6 0.066 -14.113 0.313 1.00 0.00 C ATOM 1146 CE2 PHE B 6 0.617 -14.169 -2.048 1.00 0.00 C ATOM 1147 CZ PHE B 6 0.536 -14.810 -0.806 1.00 0.00 C ATOM 0 H PHE B 6 0.262 -10.390 1.229 1.00 0.00 H new ATOM 0 HA PHE B 6 1.312 -9.894 -1.528 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -1.515 -10.491 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -0.991 -10.481 -2.195 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -0.683 -12.236 1.053 1.00 0.00 H new ATOM 0 HD2 PHE B 6 0.291 -12.334 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE B 6 0.002 -14.608 1.271 1.00 0.00 H new ATOM 0 HE2 PHE B 6 0.979 -14.708 -2.911 1.00 0.00 H new ATOM 0 HZ PHE B 6 0.836 -15.843 -0.711 1.00 0.00 H new ATOM 1157 N LEU B 7 0.302 -7.600 -1.860 1.00 0.00 N ATOM 1158 CA LEU B 7 -0.129 -6.170 -1.937 1.00 0.00 C ATOM 1159 C LEU B 7 -0.624 -5.882 -3.353 1.00 0.00 C ATOM 1160 O LEU B 7 0.070 -6.127 -4.320 1.00 0.00 O ATOM 1161 CB LEU B 7 1.065 -5.265 -1.610 1.00 0.00 C ATOM 1162 CG LEU B 7 0.602 -3.806 -1.410 1.00 0.00 C ATOM 1163 CD1 LEU B 7 1.697 -3.028 -0.671 1.00 0.00 C ATOM 1164 CD2 LEU B 7 0.312 -3.127 -2.769 1.00 0.00 C ATOM 0 H LEU B 7 0.804 -7.942 -2.679 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.930 -5.979 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.562 -5.621 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.796 -5.313 -2.417 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.318 -3.808 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.376 -1.996 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.880 -3.490 0.299 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.614 -3.044 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.012 -2.100 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.217 -3.127 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.474 -3.675 -3.289 1.00 0.00 H new ATOM 1176 N SER B 8 -1.821 -5.361 -3.484 1.00 0.00 N ATOM 1177 CA SER B 8 -2.375 -5.049 -4.839 1.00 0.00 C ATOM 1178 C SER B 8 -2.875 -3.607 -4.868 1.00 0.00 C ATOM 1179 O SER B 8 -3.280 -3.057 -3.863 1.00 0.00 O ATOM 1180 CB SER B 8 -3.538 -5.993 -5.140 1.00 0.00 C ATOM 1181 OG SER B 8 -3.060 -7.331 -5.176 1.00 0.00 O ATOM 0 H SER B 8 -2.441 -5.137 -2.706 1.00 0.00 H new ATOM 0 HA SER B 8 -1.594 -5.178 -5.588 1.00 0.00 H new ATOM 0 HB2 SER B 8 -4.311 -5.891 -4.378 1.00 0.00 H new ATOM 0 HB3 SER B 8 -3.995 -5.732 -6.094 1.00 0.00 H new ATOM 0 HG SER B 8 -3.804 -7.939 -5.367 1.00 0.00 H new ATOM 1187 N LEU B 9 -2.842 -2.985 -6.018 1.00 0.00 N ATOM 1188 CA LEU B 9 -3.306 -1.571 -6.124 1.00 0.00 C ATOM 1189 C LEU B 9 -3.940 -1.346 -7.503 1.00 0.00 C ATOM 1190 O LEU B 9 -3.619 -2.017 -8.468 1.00 0.00 O ATOM 1191 CB LEU B 9 -2.104 -0.634 -5.943 1.00 0.00 C ATOM 1192 CG LEU B 9 -2.579 0.800 -5.643 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -2.981 0.941 -4.164 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -1.445 1.784 -5.945 1.00 0.00 C ATOM 0 H LEU B 9 -2.512 -3.398 -6.891 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.047 -1.364 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.475 -0.993 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.492 -0.640 -6.845 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.445 1.017 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.313 1.961 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.791 0.247 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -2.123 0.714 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -1.779 2.800 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -0.583 1.548 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -1.165 1.705 -6.996 1.00 0.00 H new ATOM 1206 N THR B 10 -4.847 -0.407 -7.599 1.00 0.00 N ATOM 1207 CA THR B 10 -5.517 -0.127 -8.906 1.00 0.00 C ATOM 1208 C THR B 10 -5.757 1.380 -9.036 1.00 0.00 C ATOM 1209 O THR B 10 -5.682 2.113 -8.071 1.00 0.00 O ATOM 1210 CB THR B 10 -6.853 -0.873 -8.963 1.00 0.00 C ATOM 1211 OG1 THR B 10 -7.564 -0.483 -10.130 1.00 0.00 O ATOM 1212 CG2 THR B 10 -7.680 -0.541 -7.721 1.00 0.00 C ATOM 0 H THR B 10 -5.154 0.181 -6.824 1.00 0.00 H new ATOM 0 HA THR B 10 -4.883 -0.465 -9.726 1.00 0.00 H new ATOM 0 HB THR B 10 -6.668 -1.947 -8.994 1.00 0.00 H new ATOM 0 HG1 THR B 10 -7.473 -1.177 -10.816 1.00 0.00 H new ATOM 0 HG21 THR B 10 -8.630 -1.073 -7.764 1.00 0.00 H new ATOM 0 HG22 THR B 10 -7.134 -0.845 -6.828 1.00 0.00 H new ATOM 0 HG23 THR B 10 -7.866 0.532 -7.684 1.00 0.00 H new ATOM 1220 N GLY B 11 -6.043 1.851 -10.221 1.00 0.00 N ATOM 1221 CA GLY B 11 -6.281 3.314 -10.410 1.00 0.00 C ATOM 1222 C GLY B 11 -4.952 4.015 -10.714 1.00 0.00 C ATOM 1223 O GLY B 11 -4.845 5.223 -10.645 1.00 0.00 O ATOM 0 H GLY B 11 -6.122 1.287 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -6.985 3.476 -11.227 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -6.731 3.739 -9.513 1.00 0.00 H new ATOM 1227 N VAL B 12 -3.941 3.262 -11.054 1.00 0.00 N ATOM 1228 CA VAL B 12 -2.619 3.877 -11.370 1.00 0.00 C ATOM 1229 C VAL B 12 -2.721 4.658 -12.683 1.00 0.00 C ATOM 1230 O VAL B 12 -3.307 4.202 -13.644 1.00 0.00 O ATOM 1231 CB VAL B 12 -1.568 2.773 -11.515 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -1.912 1.901 -12.725 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -0.177 3.395 -11.714 1.00 0.00 C ATOM 0 H VAL B 12 -3.973 2.245 -11.127 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.330 4.554 -10.566 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.561 2.164 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -1.165 1.114 -12.831 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.895 1.452 -12.582 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.921 2.515 -13.625 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.565 2.603 -11.816 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.178 4.009 -12.615 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.071 4.015 -10.853 1.00 0.00 H new ATOM 1243 N SER B 13 -2.144 5.828 -12.735 1.00 0.00 N ATOM 1244 CA SER B 13 -2.199 6.625 -13.991 1.00 0.00 C ATOM 1245 C SER B 13 -1.251 6.000 -15.018 1.00 0.00 C ATOM 1246 O SER B 13 -1.634 5.703 -16.133 1.00 0.00 O ATOM 1247 CB SER B 13 -1.776 8.070 -13.699 1.00 0.00 C ATOM 1248 OG SER B 13 -2.269 8.919 -14.729 1.00 0.00 O ATOM 0 H SER B 13 -1.639 6.264 -11.964 1.00 0.00 H new ATOM 0 HA SER B 13 -3.215 6.627 -14.387 1.00 0.00 H new ATOM 0 HB2 SER B 13 -2.166 8.387 -12.732 1.00 0.00 H new ATOM 0 HB3 SER B 13 -0.690 8.139 -13.643 1.00 0.00 H new ATOM 0 HG SER B 13 -2.003 9.844 -14.546 1.00 0.00 H new ATOM 1254 N LYS B 14 -0.017 5.782 -14.644 1.00 0.00 N ATOM 1255 CA LYS B 14 0.949 5.157 -15.595 1.00 0.00 C ATOM 1256 C LYS B 14 2.164 4.629 -14.823 1.00 0.00 C ATOM 1257 O LYS B 14 2.524 5.144 -13.783 1.00 0.00 O ATOM 1258 CB LYS B 14 1.389 6.185 -16.653 1.00 0.00 C ATOM 1259 CG LYS B 14 1.958 7.460 -15.983 1.00 0.00 C ATOM 1260 CD LYS B 14 3.500 7.423 -15.975 1.00 0.00 C ATOM 1261 CE LYS B 14 4.045 7.907 -17.327 1.00 0.00 C ATOM 1262 NZ LYS B 14 4.105 9.396 -17.331 1.00 0.00 N ATOM 0 H LYS B 14 0.362 6.009 -13.725 1.00 0.00 H new ATOM 0 HA LYS B 14 0.465 4.324 -16.104 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.144 5.743 -17.303 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.540 6.449 -17.284 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.612 8.344 -16.518 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.585 7.539 -14.962 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.883 8.054 -15.173 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.846 6.409 -15.776 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.037 7.491 -17.502 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.405 7.555 -18.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.474 9.726 -18.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.151 9.782 -17.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.732 9.720 -16.567 1.00 0.00 H new ATOM 1276 N VAL B 15 2.791 3.593 -15.319 1.00 0.00 N ATOM 1277 CA VAL B 15 3.974 3.014 -14.611 1.00 0.00 C ATOM 1278 C VAL B 15 5.235 3.810 -14.958 1.00 0.00 C ATOM 1279 O VAL B 15 5.520 4.072 -16.109 1.00 0.00 O ATOM 1280 CB VAL B 15 4.165 1.557 -15.044 1.00 0.00 C ATOM 1281 CG1 VAL B 15 5.439 0.994 -14.405 1.00 0.00 C ATOM 1282 CG2 VAL B 15 2.956 0.728 -14.601 1.00 0.00 C ATOM 0 H VAL B 15 2.534 3.121 -16.186 1.00 0.00 H new ATOM 0 HA VAL B 15 3.802 3.062 -13.536 1.00 0.00 H new ATOM 0 HB VAL B 15 4.256 1.511 -16.129 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.574 -0.043 -14.714 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.298 1.583 -14.726 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.353 1.041 -13.319 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.093 -0.308 -14.910 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.861 0.774 -13.516 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.052 1.127 -15.062 1.00 0.00 H new ATOM 1292 N GLN B 16 6.000 4.187 -13.965 1.00 0.00 N ATOM 1293 CA GLN B 16 7.256 4.960 -14.223 1.00 0.00 C ATOM 1294 C GLN B 16 8.443 3.993 -14.272 1.00 0.00 C ATOM 1295 O GLN B 16 9.402 4.204 -14.989 1.00 0.00 O ATOM 1296 CB GLN B 16 7.470 5.973 -13.093 1.00 0.00 C ATOM 1297 CG GLN B 16 8.759 6.759 -13.347 1.00 0.00 C ATOM 1298 CD GLN B 16 8.882 7.893 -12.324 1.00 0.00 C ATOM 1299 OE1 GLN B 16 7.928 8.079 -11.453 1.00 0.00 O flip ATOM 1300 NE2 GLN B 16 9.857 8.618 -12.319 1.00 0.00 N flip ATOM 0 H GLN B 16 5.809 3.992 -12.982 1.00 0.00 H new ATOM 0 HA GLN B 16 7.174 5.487 -15.174 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.621 6.655 -13.036 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.529 5.457 -12.135 1.00 0.00 H new ATOM 0 HG2 GLN B 16 9.621 6.096 -13.275 1.00 0.00 H new ATOM 0 HG3 GLN B 16 8.755 7.167 -14.358 1.00 0.00 H new ATOM 0 HE21 GLN B 16 10.603 8.474 -12.999 1.00 0.00 H new ATOM 0 HE22 GLN B 16 9.929 9.371 -11.635 1.00 0.00 H new ATOM 1309 N SER B 17 8.384 2.932 -13.514 1.00 0.00 N ATOM 1310 CA SER B 17 9.501 1.946 -13.510 1.00 0.00 C ATOM 1311 C SER B 17 9.054 0.691 -12.759 1.00 0.00 C ATOM 1312 O SER B 17 8.193 0.749 -11.904 1.00 0.00 O ATOM 1313 CB SER B 17 10.716 2.551 -12.808 1.00 0.00 C ATOM 1314 OG SER B 17 11.780 1.606 -12.810 1.00 0.00 O ATOM 0 H SER B 17 7.606 2.705 -12.894 1.00 0.00 H new ATOM 0 HA SER B 17 9.768 1.690 -14.535 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.025 3.465 -13.315 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.460 2.825 -11.785 1.00 0.00 H new ATOM 0 HG SER B 17 11.642 0.957 -12.089 1.00 0.00 H new ATOM 1320 N PHE B 18 9.628 -0.446 -13.062 1.00 0.00 N ATOM 1321 CA PHE B 18 9.225 -1.700 -12.351 1.00 0.00 C ATOM 1322 C PHE B 18 10.448 -2.609 -12.189 1.00 0.00 C ATOM 1323 O PHE B 18 10.976 -3.139 -13.147 1.00 0.00 O ATOM 1324 CB PHE B 18 8.136 -2.424 -13.166 1.00 0.00 C ATOM 1325 CG PHE B 18 7.306 -3.310 -12.254 1.00 0.00 C ATOM 1326 CD1 PHE B 18 7.879 -4.443 -11.661 1.00 0.00 C ATOM 1327 CD2 PHE B 18 5.963 -2.995 -12.000 1.00 0.00 C ATOM 1328 CE1 PHE B 18 7.112 -5.258 -10.818 1.00 0.00 C ATOM 1329 CE2 PHE B 18 5.196 -3.810 -11.158 1.00 0.00 C ATOM 1330 CZ PHE B 18 5.771 -4.940 -10.567 1.00 0.00 C ATOM 0 H PHE B 18 10.355 -0.561 -13.768 1.00 0.00 H new ATOM 0 HA PHE B 18 8.829 -1.453 -11.366 1.00 0.00 H new ATOM 0 HB2 PHE B 18 7.494 -1.694 -13.660 1.00 0.00 H new ATOM 0 HB3 PHE B 18 8.597 -3.025 -13.950 1.00 0.00 H new ATOM 0 HD1 PHE B 18 8.913 -4.688 -11.854 1.00 0.00 H new ATOM 0 HD2 PHE B 18 5.519 -2.122 -12.455 1.00 0.00 H new ATOM 0 HE1 PHE B 18 7.555 -6.131 -10.362 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.162 -3.566 -10.965 1.00 0.00 H new ATOM 0 HZ PHE B 18 5.180 -5.568 -9.916 1.00 0.00 H new ATOM 1340 N ASP B 19 10.889 -2.798 -10.972 1.00 0.00 N ATOM 1341 CA ASP B 19 12.069 -3.676 -10.700 1.00 0.00 C ATOM 1342 C ASP B 19 11.705 -4.615 -9.541 1.00 0.00 C ATOM 1343 O ASP B 19 10.895 -4.271 -8.705 1.00 0.00 O ATOM 1344 CB ASP B 19 13.270 -2.796 -10.310 1.00 0.00 C ATOM 1345 CG ASP B 19 13.216 -1.484 -11.095 1.00 0.00 C ATOM 1346 OD1 ASP B 19 12.230 -0.777 -10.964 1.00 0.00 O ATOM 1347 OD2 ASP B 19 14.164 -1.205 -11.813 1.00 0.00 O ATOM 0 H ASP B 19 10.475 -2.375 -10.141 1.00 0.00 H new ATOM 0 HA ASP B 19 12.331 -4.260 -11.582 1.00 0.00 H new ATOM 0 HB2 ASP B 19 13.253 -2.593 -9.239 1.00 0.00 H new ATOM 0 HB3 ASP B 19 14.202 -3.320 -10.520 1.00 0.00 H new ATOM 1352 N PRO B 20 12.284 -5.788 -9.478 1.00 0.00 N ATOM 1353 CA PRO B 20 11.981 -6.753 -8.381 1.00 0.00 C ATOM 1354 C PRO B 20 12.490 -6.239 -7.027 1.00 0.00 C ATOM 1355 O PRO B 20 12.064 -6.688 -5.983 1.00 0.00 O ATOM 1356 CB PRO B 20 12.704 -8.041 -8.809 1.00 0.00 C ATOM 1357 CG PRO B 20 13.801 -7.588 -9.722 1.00 0.00 C ATOM 1358 CD PRO B 20 13.282 -6.328 -10.422 1.00 0.00 C ATOM 0 HA PRO B 20 10.911 -6.906 -8.241 1.00 0.00 H new ATOM 0 HB2 PRO B 20 13.104 -8.574 -7.946 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.024 -8.724 -9.318 1.00 0.00 H new ATOM 0 HG2 PRO B 20 14.711 -7.375 -9.161 1.00 0.00 H new ATOM 0 HG3 PRO B 20 14.048 -8.363 -10.448 1.00 0.00 H new ATOM 0 HD2 PRO B 20 14.084 -5.614 -10.608 1.00 0.00 H new ATOM 0 HD3 PRO B 20 12.834 -6.562 -11.388 1.00 0.00 H new ATOM 1366 N LYS B 21 13.395 -5.288 -7.046 1.00 0.00 N ATOM 1367 CA LYS B 21 13.942 -4.717 -5.772 1.00 0.00 C ATOM 1368 C LYS B 21 13.389 -3.301 -5.564 1.00 0.00 C ATOM 1369 O LYS B 21 13.650 -2.664 -4.562 1.00 0.00 O ATOM 1370 CB LYS B 21 15.470 -4.670 -5.856 1.00 0.00 C ATOM 1371 CG LYS B 21 15.896 -3.918 -7.121 1.00 0.00 C ATOM 1372 CD LYS B 21 17.425 -3.792 -7.166 1.00 0.00 C ATOM 1373 CE LYS B 21 18.064 -5.156 -7.467 1.00 0.00 C ATOM 1374 NZ LYS B 21 19.479 -4.958 -7.889 1.00 0.00 N ATOM 0 H LYS B 21 13.781 -4.879 -7.897 1.00 0.00 H new ATOM 0 HA LYS B 21 13.644 -5.343 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.877 -4.176 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.874 -5.682 -5.870 1.00 0.00 H new ATOM 0 HG2 LYS B 21 15.540 -4.446 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS B 21 15.441 -2.928 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS B 21 17.715 -3.071 -7.930 1.00 0.00 H new ATOM 0 HD3 LYS B 21 17.794 -3.413 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS B 21 18.022 -5.792 -6.583 1.00 0.00 H new ATOM 0 HE3 LYS B 21 17.507 -5.665 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 19.913 -5.881 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 19.507 -4.366 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 20.007 -4.489 -7.125 1.00 0.00 H new ATOM 1388 N GLU B 22 12.626 -2.806 -6.504 1.00 0.00 N ATOM 1389 CA GLU B 22 12.051 -1.434 -6.364 1.00 0.00 C ATOM 1390 C GLU B 22 11.010 -1.207 -7.469 1.00 0.00 C ATOM 1391 O GLU B 22 11.284 -1.415 -8.635 1.00 0.00 O ATOM 1392 CB GLU B 22 13.168 -0.393 -6.496 1.00 0.00 C ATOM 1393 CG GLU B 22 12.604 1.002 -6.211 1.00 0.00 C ATOM 1394 CD GLU B 22 13.713 2.047 -6.357 1.00 0.00 C ATOM 1395 OE1 GLU B 22 14.867 1.658 -6.393 1.00 0.00 O ATOM 1396 OE2 GLU B 22 13.386 3.222 -6.432 1.00 0.00 O ATOM 0 H GLU B 22 12.376 -3.293 -7.364 1.00 0.00 H new ATOM 0 HA GLU B 22 11.578 -1.335 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU B 22 13.975 -0.620 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU B 22 13.594 -0.427 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU B 22 11.790 1.223 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU B 22 12.188 1.038 -5.204 1.00 0.00 H new ATOM 1403 N ILE B 23 9.814 -0.790 -7.113 1.00 0.00 N ATOM 1404 CA ILE B 23 8.745 -0.550 -8.145 1.00 0.00 C ATOM 1405 C ILE B 23 8.157 0.860 -7.972 1.00 0.00 C ATOM 1406 O ILE B 23 7.776 1.251 -6.886 1.00 0.00 O ATOM 1407 CB ILE B 23 7.635 -1.593 -7.965 1.00 0.00 C ATOM 1408 CG1 ILE B 23 8.199 -2.995 -8.234 1.00 0.00 C ATOM 1409 CG2 ILE B 23 6.500 -1.302 -8.946 1.00 0.00 C ATOM 1410 CD1 ILE B 23 7.170 -4.047 -7.812 1.00 0.00 C ATOM 0 H ILE B 23 9.530 -0.605 -6.151 1.00 0.00 H new ATOM 0 HA ILE B 23 9.176 -0.635 -9.142 1.00 0.00 H new ATOM 0 HB ILE B 23 7.255 -1.546 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.436 -3.107 -9.292 1.00 0.00 H new ATOM 0 HG13 ILE B 23 9.128 -3.137 -7.682 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.710 -2.043 -8.819 1.00 0.00 H new ATOM 0 HG22 ILE B 23 6.099 -0.307 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE B 23 6.880 -1.348 -9.966 1.00 0.00 H new ATOM 0 HD11 ILE B 23 7.569 -5.043 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE B 23 6.955 -3.939 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE B 23 6.252 -3.908 -8.384 1.00 0.00 H new ATOM 1422 N LEU B 24 8.082 1.627 -9.042 1.00 0.00 N ATOM 1423 CA LEU B 24 7.520 3.020 -8.958 1.00 0.00 C ATOM 1424 C LEU B 24 6.228 3.105 -9.780 1.00 0.00 C ATOM 1425 O LEU B 24 6.218 2.814 -10.960 1.00 0.00 O ATOM 1426 CB LEU B 24 8.532 4.016 -9.540 1.00 0.00 C ATOM 1427 CG LEU B 24 9.886 3.880 -8.834 1.00 0.00 C ATOM 1428 CD1 LEU B 24 10.865 4.883 -9.444 1.00 0.00 C ATOM 1429 CD2 LEU B 24 9.738 4.153 -7.329 1.00 0.00 C ATOM 0 H LEU B 24 8.388 1.346 -9.974 1.00 0.00 H new ATOM 0 HA LEU B 24 7.315 3.258 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.653 3.838 -10.609 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.157 5.033 -9.427 1.00 0.00 H new ATOM 0 HG LEU B 24 10.259 2.864 -8.966 1.00 0.00 H new ATOM 0 HD11 LEU B 24 11.832 4.795 -8.949 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.982 4.676 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.480 5.894 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.709 4.052 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.360 5.164 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.040 3.437 -6.896 1.00 0.00 H new ATOM 1441 N LEU B 25 5.140 3.515 -9.169 1.00 0.00 N ATOM 1442 CA LEU B 25 3.840 3.633 -9.914 1.00 0.00 C ATOM 1443 C LEU B 25 3.279 5.047 -9.725 1.00 0.00 C ATOM 1444 O LEU B 25 3.181 5.539 -8.619 1.00 0.00 O ATOM 1445 CB LEU B 25 2.822 2.633 -9.342 1.00 0.00 C ATOM 1446 CG LEU B 25 3.421 1.217 -9.264 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.423 0.294 -8.573 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.698 0.662 -10.667 1.00 0.00 C ATOM 0 H LEU B 25 5.095 3.774 -8.184 1.00 0.00 H new ATOM 0 HA LEU B 25 4.014 3.427 -10.970 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.510 2.955 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.929 2.620 -9.967 1.00 0.00 H new ATOM 0 HG LEU B 25 4.357 1.268 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU B 25 2.839 -0.712 -8.513 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.221 0.664 -7.568 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.495 0.269 -9.144 1.00 0.00 H new ATOM 0 HD21 LEU B 25 4.121 -0.339 -10.585 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.766 0.618 -11.231 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.404 1.313 -11.183 1.00 0.00 H new ATOM 1460 N GLU B 26 2.882 5.699 -10.789 1.00 0.00 N ATOM 1461 CA GLU B 26 2.295 7.066 -10.644 1.00 0.00 C ATOM 1462 C GLU B 26 0.786 6.909 -10.485 1.00 0.00 C ATOM 1463 O GLU B 26 0.121 6.372 -11.355 1.00 0.00 O ATOM 1464 CB GLU B 26 2.578 7.902 -11.892 1.00 0.00 C ATOM 1465 CG GLU B 26 2.095 9.336 -11.651 1.00 0.00 C ATOM 1466 CD GLU B 26 2.186 10.146 -12.941 1.00 0.00 C ATOM 1467 OE1 GLU B 26 2.831 9.687 -13.866 1.00 0.00 O ATOM 1468 OE2 GLU B 26 1.598 11.215 -12.983 1.00 0.00 O ATOM 0 H GLU B 26 2.938 5.347 -11.745 1.00 0.00 H new ATOM 0 HA GLU B 26 2.734 7.568 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU B 26 3.645 7.896 -12.115 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.070 7.473 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU B 26 1.066 9.325 -11.291 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.699 9.805 -10.875 1.00 0.00 H new ATOM 1475 N THR B 27 0.244 7.364 -9.381 1.00 0.00 N ATOM 1476 CA THR B 27 -1.227 7.230 -9.148 1.00 0.00 C ATOM 1477 C THR B 27 -1.846 8.600 -8.890 1.00 0.00 C ATOM 1478 O THR B 27 -1.223 9.490 -8.336 1.00 0.00 O ATOM 1479 CB THR B 27 -1.457 6.334 -7.927 1.00 0.00 C ATOM 1480 OG1 THR B 27 -2.837 6.340 -7.592 1.00 0.00 O ATOM 1481 CG2 THR B 27 -0.638 6.853 -6.743 1.00 0.00 C ATOM 0 H THR B 27 0.759 7.823 -8.630 1.00 0.00 H new ATOM 0 HA THR B 27 -1.693 6.791 -10.030 1.00 0.00 H new ATOM 0 HB THR B 27 -1.143 5.317 -8.160 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.951 6.679 -6.680 1.00 0.00 H new ATOM 0 HG21 THR B 27 -0.805 6.213 -5.877 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.421 6.845 -7.002 1.00 0.00 H new ATOM 0 HG23 THR B 27 -0.946 7.871 -6.506 1.00 0.00 H new ATOM 1489 N ILE B 28 -3.080 8.758 -9.293 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.807 10.048 -9.105 1.00 0.00 C ATOM 1491 C ILE B 28 -2.861 11.228 -9.353 1.00 0.00 C ATOM 1492 O ILE B 28 -2.754 11.722 -10.459 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.380 10.118 -7.688 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -5.269 8.896 -7.444 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -5.223 11.388 -7.550 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -5.676 8.830 -5.970 1.00 0.00 C ATOM 0 H ILE B 28 -3.626 8.030 -9.755 1.00 0.00 H new ATOM 0 HA ILE B 28 -4.626 10.103 -9.822 1.00 0.00 H new ATOM 0 HB ILE B 28 -3.567 10.133 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -6.158 8.951 -8.073 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -4.736 7.987 -7.724 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.634 11.444 -6.542 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.598 12.262 -7.736 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -6.038 11.364 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -6.308 7.957 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -4.783 8.753 -5.349 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -6.227 9.732 -5.704 1.00 0.00 H new ATOM 1508 N GLN B 29 -2.175 11.680 -8.336 1.00 0.00 N ATOM 1509 CA GLN B 29 -1.231 12.830 -8.505 1.00 0.00 C ATOM 1510 C GLN B 29 0.055 12.573 -7.713 1.00 0.00 C ATOM 1511 O GLN B 29 1.068 13.204 -7.945 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.901 14.105 -7.977 1.00 0.00 C ATOM 1513 CG GLN B 29 -2.222 13.943 -6.486 1.00 0.00 C ATOM 1514 CD GLN B 29 -2.965 15.183 -5.985 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -2.751 16.272 -6.481 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -3.825 15.064 -5.012 1.00 0.00 N ATOM 0 H GLN B 29 -2.227 11.302 -7.390 1.00 0.00 H new ATOM 0 HA GLN B 29 -0.984 12.943 -9.561 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -1.243 14.961 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -2.815 14.305 -8.536 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -2.831 13.053 -6.329 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -1.302 13.803 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.003 14.149 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.320 15.886 -4.665 1.00 0.00 H new ATOM 1525 N GLY B 30 0.023 11.666 -6.769 1.00 0.00 N ATOM 1526 CA GLY B 30 1.242 11.381 -5.946 1.00 0.00 C ATOM 1527 C GLY B 30 1.959 10.136 -6.469 1.00 0.00 C ATOM 1528 O GLY B 30 1.339 9.185 -6.905 1.00 0.00 O ATOM 0 H GLY B 30 -0.797 11.108 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY B 30 1.917 12.236 -5.976 1.00 0.00 H new ATOM 0 HA3 GLY B 30 0.959 11.234 -4.904 1.00 0.00 H new ATOM 1532 N VAL B 31 3.267 10.128 -6.412 1.00 0.00 N ATOM 1533 CA VAL B 31 4.034 8.938 -6.886 1.00 0.00 C ATOM 1534 C VAL B 31 4.316 8.026 -5.694 1.00 0.00 C ATOM 1535 O VAL B 31 4.804 8.467 -4.672 1.00 0.00 O ATOM 1536 CB VAL B 31 5.362 9.386 -7.496 1.00 0.00 C ATOM 1537 CG1 VAL B 31 6.030 8.190 -8.181 1.00 0.00 C ATOM 1538 CG2 VAL B 31 5.109 10.490 -8.524 1.00 0.00 C ATOM 0 H VAL B 31 3.837 10.896 -6.057 1.00 0.00 H new ATOM 0 HA VAL B 31 3.452 8.407 -7.639 1.00 0.00 H new ATOM 0 HB VAL B 31 6.014 9.770 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL B 31 6.978 8.504 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL B 31 6.211 7.405 -7.447 1.00 0.00 H new ATOM 0 HG13 VAL B 31 5.377 7.809 -8.966 1.00 0.00 H new ATOM 0 HG21 VAL B 31 6.057 10.808 -8.957 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.459 10.111 -9.312 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.631 11.339 -8.036 1.00 0.00 H new ATOM 1548 N LEU B 32 4.017 6.757 -5.816 1.00 0.00 N ATOM 1549 CA LEU B 32 4.266 5.800 -4.691 1.00 0.00 C ATOM 1550 C LEU B 32 5.471 4.924 -5.027 1.00 0.00 C ATOM 1551 O LEU B 32 5.519 4.288 -6.060 1.00 0.00 O ATOM 1552 CB LEU B 32 3.027 4.917 -4.491 1.00 0.00 C ATOM 1553 CG LEU B 32 3.303 3.839 -3.431 1.00 0.00 C ATOM 1554 CD1 LEU B 32 3.779 4.490 -2.123 1.00 0.00 C ATOM 1555 CD2 LEU B 32 2.014 3.052 -3.175 1.00 0.00 C ATOM 0 H LEU B 32 3.608 6.339 -6.652 1.00 0.00 H new ATOM 0 HA LEU B 32 4.467 6.356 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.181 5.531 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU B 32 2.752 4.446 -5.435 1.00 0.00 H new ATOM 0 HG LEU B 32 4.083 3.169 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.971 3.716 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.695 5.051 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU B 32 3.009 5.166 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.200 2.284 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.239 3.730 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.685 2.581 -4.101 1.00 0.00 H new ATOM 1567 N SER B 33 6.443 4.886 -4.149 1.00 0.00 N ATOM 1568 CA SER B 33 7.658 4.053 -4.389 1.00 0.00 C ATOM 1569 C SER B 33 7.647 2.862 -3.432 1.00 0.00 C ATOM 1570 O SER B 33 7.563 3.022 -2.230 1.00 0.00 O ATOM 1571 CB SER B 33 8.906 4.899 -4.134 1.00 0.00 C ATOM 1572 OG SER B 33 8.936 5.982 -5.055 1.00 0.00 O ATOM 0 H SER B 33 6.445 5.402 -3.269 1.00 0.00 H new ATOM 0 HA SER B 33 7.663 3.695 -5.418 1.00 0.00 H new ATOM 0 HB2 SER B 33 8.901 5.276 -3.111 1.00 0.00 H new ATOM 0 HB3 SER B 33 9.802 4.288 -4.244 1.00 0.00 H new ATOM 0 HG SER B 33 9.858 6.134 -5.352 1.00 0.00 H new ATOM 1578 N ILE B 34 7.728 1.668 -3.959 1.00 0.00 N ATOM 1579 CA ILE B 34 7.721 0.446 -3.095 1.00 0.00 C ATOM 1580 C ILE B 34 9.131 -0.140 -3.043 1.00 0.00 C ATOM 1581 O ILE B 34 9.760 -0.351 -4.062 1.00 0.00 O ATOM 1582 CB ILE B 34 6.763 -0.586 -3.692 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.346 -0.007 -3.727 1.00 0.00 C ATOM 1584 CG2 ILE B 34 6.775 -1.850 -2.833 1.00 0.00 C ATOM 1585 CD1 ILE B 34 4.442 -0.920 -4.558 1.00 0.00 C ATOM 0 H ILE B 34 7.799 1.484 -4.960 1.00 0.00 H new ATOM 0 HA ILE B 34 7.396 0.707 -2.088 1.00 0.00 H new ATOM 0 HB ILE B 34 7.080 -0.832 -4.705 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.955 0.086 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.362 0.995 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE B 34 6.092 -2.586 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE B 34 7.783 -2.263 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE B 34 6.458 -1.604 -1.820 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.433 -0.508 -4.583 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.831 -0.990 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.417 -1.913 -4.110 1.00 0.00 H new ATOM 1597 N LYS B 35 9.633 -0.405 -1.860 1.00 0.00 N ATOM 1598 CA LYS B 35 11.009 -0.981 -1.720 1.00 0.00 C ATOM 1599 C LYS B 35 10.940 -2.267 -0.898 1.00 0.00 C ATOM 1600 O LYS B 35 10.192 -2.373 0.056 1.00 0.00 O ATOM 1601 CB LYS B 35 11.912 0.028 -1.007 1.00 0.00 C ATOM 1602 CG LYS B 35 12.123 1.248 -1.906 1.00 0.00 C ATOM 1603 CD LYS B 35 12.910 2.329 -1.150 1.00 0.00 C ATOM 1604 CE LYS B 35 14.398 1.962 -1.087 1.00 0.00 C ATOM 1605 NZ LYS B 35 15.176 3.135 -0.596 1.00 0.00 N ATOM 0 H LYS B 35 9.145 -0.246 -0.979 1.00 0.00 H new ATOM 0 HA LYS B 35 11.414 -1.200 -2.708 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.461 0.332 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS B 35 12.871 -0.431 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.663 0.957 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.160 1.645 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS B 35 12.787 3.291 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS B 35 12.513 2.438 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.546 1.110 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS B 35 14.753 1.663 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 16.185 2.888 -0.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 15.043 3.936 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 14.843 3.400 0.353 1.00 0.00 H new ATOM 1619 N GLY B 36 11.718 -3.248 -1.264 1.00 0.00 N ATOM 1620 CA GLY B 36 11.706 -4.536 -0.518 1.00 0.00 C ATOM 1621 C GLY B 36 12.493 -5.576 -1.316 1.00 0.00 C ATOM 1622 O GLY B 36 13.395 -5.242 -2.059 1.00 0.00 O ATOM 0 H GLY B 36 12.365 -3.212 -2.052 1.00 0.00 H new ATOM 0 HA2 GLY B 36 12.148 -4.404 0.469 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.681 -4.874 -0.365 1.00 0.00 H new ATOM 1626 N GLU B 37 12.158 -6.834 -1.178 1.00 0.00 N ATOM 1627 CA GLU B 37 12.888 -7.894 -1.941 1.00 0.00 C ATOM 1628 C GLU B 37 11.882 -8.936 -2.428 1.00 0.00 C ATOM 1629 O GLU B 37 10.864 -9.165 -1.807 1.00 0.00 O ATOM 1630 CB GLU B 37 13.916 -8.567 -1.032 1.00 0.00 C ATOM 1631 CG GLU B 37 14.827 -7.502 -0.420 1.00 0.00 C ATOM 1632 CD GLU B 37 15.918 -8.175 0.413 1.00 0.00 C ATOM 1633 OE1 GLU B 37 16.078 -9.377 0.283 1.00 0.00 O ATOM 1634 OE2 GLU B 37 16.569 -7.478 1.174 1.00 0.00 O ATOM 0 H GLU B 37 11.412 -7.173 -0.571 1.00 0.00 H new ATOM 0 HA GLU B 37 13.401 -7.446 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU B 37 13.411 -9.126 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU B 37 14.508 -9.284 -1.602 1.00 0.00 H new ATOM 0 HG2 GLU B 37 15.278 -6.899 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU B 37 14.244 -6.826 0.205 1.00 0.00 H new ATOM 1641 N LYS B 38 12.161 -9.564 -3.538 1.00 0.00 N ATOM 1642 CA LYS B 38 11.229 -10.592 -4.085 1.00 0.00 C ATOM 1643 C LYS B 38 9.866 -9.951 -4.375 1.00 0.00 C ATOM 1644 O LYS B 38 8.835 -10.451 -3.971 1.00 0.00 O ATOM 1645 CB LYS B 38 11.053 -11.740 -3.081 1.00 0.00 C ATOM 1646 CG LYS B 38 12.423 -12.225 -2.591 1.00 0.00 C ATOM 1647 CD LYS B 38 13.236 -12.781 -3.763 1.00 0.00 C ATOM 1648 CE LYS B 38 14.427 -13.574 -3.226 1.00 0.00 C ATOM 1649 NZ LYS B 38 15.192 -14.152 -4.367 1.00 0.00 N ATOM 0 H LYS B 38 13.002 -9.408 -4.094 1.00 0.00 H new ATOM 0 HA LYS B 38 11.649 -10.991 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS B 38 10.453 -11.405 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS B 38 10.513 -12.563 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS B 38 12.962 -11.402 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS B 38 12.294 -12.995 -1.830 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.609 -13.421 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS B 38 13.584 -11.966 -4.397 1.00 0.00 H new ATOM 0 HE2 LYS B 38 15.072 -12.926 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.081 -14.369 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 16.003 -14.692 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 14.574 -14.783 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 15.534 -13.385 -4.980 1.00 0.00 H new ATOM 1663 N LEU B 39 9.856 -8.859 -5.095 1.00 0.00 N ATOM 1664 CA LEU B 39 8.563 -8.190 -5.442 1.00 0.00 C ATOM 1665 C LEU B 39 8.080 -8.755 -6.779 1.00 0.00 C ATOM 1666 O LEU B 39 8.154 -8.106 -7.803 1.00 0.00 O ATOM 1667 CB LEU B 39 8.775 -6.675 -5.565 1.00 0.00 C ATOM 1668 CG LEU B 39 8.802 -6.045 -4.170 1.00 0.00 C ATOM 1669 CD1 LEU B 39 9.871 -6.733 -3.319 1.00 0.00 C ATOM 1670 CD2 LEU B 39 9.121 -4.554 -4.291 1.00 0.00 C ATOM 0 H LEU B 39 10.690 -8.399 -5.460 1.00 0.00 H new ATOM 0 HA LEU B 39 7.823 -8.374 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU B 39 9.710 -6.470 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU B 39 7.975 -6.233 -6.159 1.00 0.00 H new ATOM 0 HG LEU B 39 7.829 -6.169 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU B 39 9.890 -6.284 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU B 39 9.640 -7.795 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU B 39 10.846 -6.611 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.140 -4.104 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU B 39 10.094 -4.427 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU B 39 8.356 -4.066 -4.895 1.00 0.00 H new ATOM 1682 N GLY B 40 7.609 -9.973 -6.776 1.00 0.00 N ATOM 1683 CA GLY B 40 7.146 -10.602 -8.047 1.00 0.00 C ATOM 1684 C GLY B 40 5.729 -10.146 -8.387 1.00 0.00 C ATOM 1685 O GLY B 40 5.092 -9.441 -7.630 1.00 0.00 O ATOM 0 H GLY B 40 7.525 -10.561 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY B 40 7.824 -10.337 -8.858 1.00 0.00 H new ATOM 0 HA3 GLY B 40 7.172 -11.688 -7.952 1.00 0.00 H new ATOM 1689 N LEU B 46 -2.345 -6.978 -15.633 1.00 0.00 N ATOM 1690 CA LEU B 46 -3.703 -6.545 -16.089 1.00 0.00 C ATOM 1691 C LEU B 46 -4.639 -7.755 -16.189 1.00 0.00 C ATOM 1692 O LEU B 46 -4.794 -8.349 -17.238 1.00 0.00 O ATOM 1693 CB LEU B 46 -3.591 -5.854 -17.459 1.00 0.00 C ATOM 1694 CG LEU B 46 -4.790 -4.917 -17.688 1.00 0.00 C ATOM 1695 CD1 LEU B 46 -4.575 -4.127 -18.982 1.00 0.00 C ATOM 1696 CD2 LEU B 46 -6.086 -5.732 -17.798 1.00 0.00 C ATOM 0 HA LEU B 46 -4.115 -5.844 -15.364 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -2.662 -5.286 -17.512 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -3.551 -6.604 -18.249 1.00 0.00 H new ATOM 0 HG LEU B 46 -4.873 -4.232 -16.844 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -5.423 -3.462 -19.147 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -3.662 -3.537 -18.901 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.487 -4.818 -19.820 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -6.927 -5.058 -17.960 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.010 -6.425 -18.636 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -6.243 -6.293 -16.876 1.00 0.00 H new ATOM 1708 N LYS B 47 -5.276 -8.115 -15.107 1.00 0.00 N ATOM 1709 CA LYS B 47 -6.218 -9.273 -15.134 1.00 0.00 C ATOM 1710 C LYS B 47 -7.636 -8.763 -15.412 1.00 0.00 C ATOM 1711 O LYS B 47 -8.420 -9.406 -16.082 1.00 0.00 O ATOM 1712 CB LYS B 47 -6.180 -9.985 -13.778 1.00 0.00 C ATOM 1713 CG LYS B 47 -6.755 -9.066 -12.696 1.00 0.00 C ATOM 1714 CD LYS B 47 -6.473 -9.657 -11.311 1.00 0.00 C ATOM 1715 CE LYS B 47 -7.275 -10.946 -11.117 1.00 0.00 C ATOM 1716 NZ LYS B 47 -7.298 -11.300 -9.671 1.00 0.00 N ATOM 0 H LYS B 47 -5.184 -7.655 -14.201 1.00 0.00 H new ATOM 0 HA LYS B 47 -5.925 -9.972 -15.918 1.00 0.00 H new ATOM 0 HB2 LYS B 47 -6.755 -10.910 -13.826 1.00 0.00 H new ATOM 0 HB3 LYS B 47 -5.155 -10.259 -13.529 1.00 0.00 H new ATOM 0 HG2 LYS B 47 -6.311 -8.073 -12.775 1.00 0.00 H new ATOM 0 HG3 LYS B 47 -7.829 -8.948 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS B 47 -5.408 -9.863 -11.205 1.00 0.00 H new ATOM 0 HD3 LYS B 47 -6.737 -8.935 -10.538 1.00 0.00 H new ATOM 0 HE2 LYS B 47 -8.292 -10.814 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS B 47 -6.828 -11.756 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 -7.241 -12.333 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 -6.487 -10.858 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 -8.182 -10.956 -9.244 1.00 0.00 H new ATOM 1730 N ALA B 48 -7.968 -7.606 -14.902 1.00 0.00 N ATOM 1731 CA ALA B 48 -9.332 -7.050 -15.132 1.00 0.00 C ATOM 1732 C ALA B 48 -9.350 -5.567 -14.750 1.00 0.00 C ATOM 1733 O ALA B 48 -10.221 -5.111 -14.036 1.00 0.00 O ATOM 1734 CB ALA B 48 -10.345 -7.808 -14.272 1.00 0.00 C ATOM 0 H ALA B 48 -7.352 -7.022 -14.336 1.00 0.00 H new ATOM 0 HA ALA B 48 -9.595 -7.159 -16.184 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -11.342 -7.401 -14.441 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.334 -8.864 -14.542 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.082 -7.700 -13.220 1.00 0.00 H new ATOM 1740 N GLY B 49 -8.398 -4.808 -15.217 1.00 0.00 N ATOM 1741 CA GLY B 49 -8.367 -3.355 -14.877 1.00 0.00 C ATOM 1742 C GLY B 49 -7.762 -3.166 -13.483 1.00 0.00 C ATOM 1743 O GLY B 49 -7.928 -2.137 -12.858 1.00 0.00 O ATOM 0 H GLY B 49 -7.640 -5.129 -15.819 1.00 0.00 H new ATOM 0 HA2 GLY B 49 -7.779 -2.811 -15.616 1.00 0.00 H new ATOM 0 HA3 GLY B 49 -9.376 -2.943 -14.906 1.00 0.00 H new ATOM 1747 N GLN B 50 -7.060 -4.155 -12.991 1.00 0.00 N ATOM 1748 CA GLN B 50 -6.436 -4.047 -11.634 1.00 0.00 C ATOM 1749 C GLN B 50 -5.041 -4.676 -11.674 1.00 0.00 C ATOM 1750 O GLN B 50 -4.750 -5.500 -12.517 1.00 0.00 O ATOM 1751 CB GLN B 50 -7.298 -4.794 -10.612 1.00 0.00 C ATOM 1752 CG GLN B 50 -8.636 -4.071 -10.439 1.00 0.00 C ATOM 1753 CD GLN B 50 -9.516 -4.852 -9.461 1.00 0.00 C ATOM 1754 OE1 GLN B 50 -9.082 -5.829 -8.881 1.00 0.00 O ATOM 1755 NE2 GLN B 50 -10.745 -4.465 -9.254 1.00 0.00 N ATOM 0 H GLN B 50 -6.890 -5.038 -13.472 1.00 0.00 H new ATOM 0 HA GLN B 50 -6.362 -2.998 -11.348 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -7.467 -5.818 -10.944 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -6.778 -4.851 -9.656 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -8.470 -3.060 -10.067 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -9.138 -3.978 -11.402 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -11.110 -3.646 -9.740 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -11.340 -4.982 -8.607 1.00 0.00 H new ATOM 1764 N VAL B 51 -4.176 -4.293 -10.762 1.00 0.00 N ATOM 1765 CA VAL B 51 -2.790 -4.864 -10.732 1.00 0.00 C ATOM 1766 C VAL B 51 -2.542 -5.494 -9.357 1.00 0.00 C ATOM 1767 O VAL B 51 -2.806 -4.891 -8.335 1.00 0.00 O ATOM 1768 CB VAL B 51 -1.777 -3.737 -10.973 1.00 0.00 C ATOM 1769 CG1 VAL B 51 -0.358 -4.226 -10.654 1.00 0.00 C ATOM 1770 CG2 VAL B 51 -1.842 -3.302 -12.441 1.00 0.00 C ATOM 0 H VAL B 51 -4.372 -3.606 -10.034 1.00 0.00 H new ATOM 0 HA VAL B 51 -2.680 -5.622 -11.507 1.00 0.00 H new ATOM 0 HB VAL B 51 -2.020 -2.895 -10.324 1.00 0.00 H new ATOM 0 HG11 VAL B 51 0.353 -3.418 -10.828 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -0.306 -4.536 -9.610 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -0.111 -5.071 -11.296 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -1.123 -2.501 -12.615 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -1.603 -4.150 -13.083 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -2.846 -2.945 -12.671 1.00 0.00 H new ATOM 1780 N GLU B 52 -2.035 -6.707 -9.328 1.00 0.00 N ATOM 1781 CA GLU B 52 -1.758 -7.394 -8.025 1.00 0.00 C ATOM 1782 C GLU B 52 -0.263 -7.708 -7.933 1.00 0.00 C ATOM 1783 O GLU B 52 0.349 -8.132 -8.893 1.00 0.00 O ATOM 1784 CB GLU B 52 -2.568 -8.694 -7.943 1.00 0.00 C ATOM 1785 CG GLU B 52 -4.060 -8.381 -8.120 1.00 0.00 C ATOM 1786 CD GLU B 52 -4.899 -9.549 -7.599 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -4.760 -9.880 -6.433 1.00 0.00 O ATOM 1788 OE2 GLU B 52 -5.675 -10.085 -8.371 1.00 0.00 O ATOM 0 H GLU B 52 -1.800 -7.253 -10.157 1.00 0.00 H new ATOM 0 HA GLU B 52 -2.047 -6.744 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -2.238 -9.390 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -2.399 -9.180 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -4.316 -7.469 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -4.281 -8.203 -9.172 1.00 0.00 H new ATOM 1795 N VAL B 53 0.334 -7.486 -6.784 1.00 0.00 N ATOM 1796 CA VAL B 53 1.802 -7.744 -6.612 1.00 0.00 C ATOM 1797 C VAL B 53 2.041 -8.624 -5.380 1.00 0.00 C ATOM 1798 O VAL B 53 1.198 -8.740 -4.513 1.00 0.00 O ATOM 1799 CB VAL B 53 2.523 -6.406 -6.428 1.00 0.00 C ATOM 1800 CG1 VAL B 53 4.039 -6.621 -6.455 1.00 0.00 C ATOM 1801 CG2 VAL B 53 2.125 -5.457 -7.564 1.00 0.00 C ATOM 0 H VAL B 53 -0.137 -7.134 -5.951 1.00 0.00 H new ATOM 0 HA VAL B 53 2.185 -8.258 -7.494 1.00 0.00 H new ATOM 0 HB VAL B 53 2.240 -5.974 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL B 53 4.545 -5.664 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.325 -7.296 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL B 53 4.328 -7.055 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.636 -4.503 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL B 53 2.408 -5.896 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.047 -5.297 -7.543 1.00 0.00 H new ATOM 1811 N GLU B 54 3.191 -9.254 -5.303 1.00 0.00 N ATOM 1812 CA GLU B 54 3.510 -10.142 -4.140 1.00 0.00 C ATOM 1813 C GLU B 54 4.955 -9.859 -3.693 1.00 0.00 C ATOM 1814 O GLU B 54 5.813 -9.553 -4.499 1.00 0.00 O ATOM 1815 CB GLU B 54 3.321 -11.617 -4.596 1.00 0.00 C ATOM 1816 CG GLU B 54 4.463 -12.534 -4.115 1.00 0.00 C ATOM 1817 CD GLU B 54 5.720 -12.283 -4.953 1.00 0.00 C ATOM 1818 OE1 GLU B 54 5.646 -12.440 -6.161 1.00 0.00 O ATOM 1819 OE2 GLU B 54 6.734 -11.926 -4.374 1.00 0.00 O ATOM 0 H GLU B 54 3.929 -9.189 -6.004 1.00 0.00 H new ATOM 0 HA GLU B 54 2.852 -9.955 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.372 -11.993 -4.214 1.00 0.00 H new ATOM 0 HB3 GLU B 54 3.264 -11.653 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.673 -12.346 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.162 -13.578 -4.198 1.00 0.00 H new ATOM 1826 N GLY B 55 5.231 -9.968 -2.413 1.00 0.00 N ATOM 1827 CA GLY B 55 6.618 -9.708 -1.921 1.00 0.00 C ATOM 1828 C GLY B 55 6.571 -9.197 -0.476 1.00 0.00 C ATOM 1829 O GLY B 55 5.515 -8.978 0.083 1.00 0.00 O ATOM 0 H GLY B 55 4.556 -10.225 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.209 -10.622 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.108 -8.974 -2.560 1.00 0.00 H new ATOM 1833 N LEU B 56 7.716 -8.998 0.128 1.00 0.00 N ATOM 1834 CA LEU B 56 7.763 -8.488 1.532 1.00 0.00 C ATOM 1835 C LEU B 56 8.029 -6.984 1.494 1.00 0.00 C ATOM 1836 O LEU B 56 8.862 -6.516 0.744 1.00 0.00 O ATOM 1837 CB LEU B 56 8.898 -9.183 2.309 1.00 0.00 C ATOM 1838 CG LEU B 56 10.165 -9.312 1.423 1.00 0.00 C ATOM 1839 CD1 LEU B 56 11.424 -9.207 2.298 1.00 0.00 C ATOM 1840 CD2 LEU B 56 10.177 -10.671 0.702 1.00 0.00 C ATOM 0 H LEU B 56 8.628 -9.169 -0.296 1.00 0.00 H new ATOM 0 HA LEU B 56 6.815 -8.695 2.028 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.133 -8.613 3.208 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.572 -10.171 2.634 1.00 0.00 H new ATOM 0 HG LEU B 56 10.154 -8.509 0.686 1.00 0.00 H new ATOM 0 HD11 LEU B 56 12.311 -9.298 1.671 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.435 -8.242 2.805 1.00 0.00 H new ATOM 0 HD13 LEU B 56 11.420 -10.006 3.039 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.072 -10.747 0.084 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.176 -11.474 1.439 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.292 -10.756 0.071 1.00 0.00 H new ATOM 1852 N ILE B 57 7.334 -6.214 2.289 1.00 0.00 N ATOM 1853 CA ILE B 57 7.566 -4.737 2.281 1.00 0.00 C ATOM 1854 C ILE B 57 8.587 -4.382 3.366 1.00 0.00 C ATOM 1855 O ILE B 57 8.311 -4.480 4.545 1.00 0.00 O ATOM 1856 CB ILE B 57 6.247 -4.020 2.574 1.00 0.00 C ATOM 1857 CG1 ILE B 57 5.158 -4.516 1.611 1.00 0.00 C ATOM 1858 CG2 ILE B 57 6.427 -2.508 2.412 1.00 0.00 C ATOM 1859 CD1 ILE B 57 5.618 -4.375 0.153 1.00 0.00 C ATOM 0 H ILE B 57 6.620 -6.540 2.940 1.00 0.00 H new ATOM 0 HA ILE B 57 7.944 -4.428 1.306 1.00 0.00 H new ATOM 0 HB ILE B 57 5.947 -4.237 3.599 1.00 0.00 H new ATOM 0 HG12 ILE B 57 4.924 -5.559 1.825 1.00 0.00 H new ATOM 0 HG13 ILE B 57 4.242 -3.946 1.765 1.00 0.00 H new ATOM 0 HG21 ILE B 57 5.483 -2.005 2.622 1.00 0.00 H new ATOM 0 HG22 ILE B 57 7.189 -2.156 3.107 1.00 0.00 H new ATOM 0 HG23 ILE B 57 6.737 -2.286 1.391 1.00 0.00 H new ATOM 0 HD11 ILE B 57 4.832 -4.732 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE B 57 5.828 -3.327 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE B 57 6.521 -4.966 -0.002 1.00 0.00 H new ATOM 1871 N ASP B 58 9.764 -3.960 2.973 1.00 0.00 N ATOM 1872 CA ASP B 58 10.808 -3.584 3.978 1.00 0.00 C ATOM 1873 C ASP B 58 10.855 -2.062 4.132 1.00 0.00 C ATOM 1874 O ASP B 58 11.276 -1.549 5.150 1.00 0.00 O ATOM 1875 CB ASP B 58 12.178 -4.084 3.510 1.00 0.00 C ATOM 1876 CG ASP B 58 12.107 -5.587 3.240 1.00 0.00 C ATOM 1877 OD1 ASP B 58 11.675 -6.309 4.123 1.00 0.00 O ATOM 1878 OD2 ASP B 58 12.490 -5.994 2.155 1.00 0.00 O ATOM 0 H ASP B 58 10.048 -3.859 1.998 1.00 0.00 H new ATOM 0 HA ASP B 58 10.559 -4.040 4.936 1.00 0.00 H new ATOM 0 HB2 ASP B 58 12.481 -3.555 2.606 1.00 0.00 H new ATOM 0 HB3 ASP B 58 12.932 -3.875 4.269 1.00 0.00 H new ATOM 1883 N ALA B 59 10.433 -1.328 3.133 1.00 0.00 N ATOM 1884 CA ALA B 59 10.475 0.159 3.250 1.00 0.00 C ATOM 1885 C ALA B 59 9.556 0.809 2.209 1.00 0.00 C ATOM 1886 O ALA B 59 9.394 0.315 1.110 1.00 0.00 O ATOM 1887 CB ALA B 59 11.909 0.645 3.030 1.00 0.00 C ATOM 0 H ALA B 59 10.066 -1.689 2.253 1.00 0.00 H new ATOM 0 HA ALA B 59 10.133 0.441 4.246 1.00 0.00 H new ATOM 0 HB1 ALA B 59 11.942 1.731 3.115 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.563 0.202 3.781 1.00 0.00 H new ATOM 0 HB3 ALA B 59 12.245 0.348 2.037 1.00 0.00 H new ATOM 1893 N LEU B 60 8.968 1.931 2.553 1.00 0.00 N ATOM 1894 CA LEU B 60 8.064 2.660 1.604 1.00 0.00 C ATOM 1895 C LEU B 60 8.441 4.143 1.590 1.00 0.00 C ATOM 1896 O LEU B 60 8.750 4.723 2.613 1.00 0.00 O ATOM 1897 CB LEU B 60 6.597 2.510 2.059 1.00 0.00 C ATOM 1898 CG LEU B 60 5.992 1.208 1.497 1.00 0.00 C ATOM 1899 CD1 LEU B 60 4.809 0.775 2.366 1.00 0.00 C ATOM 1900 CD2 LEU B 60 5.488 1.441 0.060 1.00 0.00 C ATOM 0 H LEU B 60 9.077 2.379 3.463 1.00 0.00 H new ATOM 0 HA LEU B 60 8.174 2.240 0.604 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.546 2.502 3.148 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.014 3.366 1.719 1.00 0.00 H new ATOM 0 HG LEU B 60 6.760 0.435 1.497 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.382 -0.145 1.967 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.151 0.604 3.387 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.050 1.557 2.363 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.062 0.517 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU B 60 4.725 2.219 0.064 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.320 1.752 -0.571 1.00 0.00 H new ATOM 1912 N VAL B 61 8.403 4.761 0.436 1.00 0.00 N ATOM 1913 CA VAL B 61 8.743 6.213 0.341 1.00 0.00 C ATOM 1914 C VAL B 61 7.689 6.921 -0.516 1.00 0.00 C ATOM 1915 O VAL B 61 7.523 6.626 -1.683 1.00 0.00 O ATOM 1916 CB VAL B 61 10.118 6.365 -0.319 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.398 7.846 -0.597 1.00 0.00 C ATOM 1918 CG2 VAL B 61 11.198 5.799 0.609 1.00 0.00 C ATOM 0 H VAL B 61 8.150 4.320 -0.448 1.00 0.00 H new ATOM 0 HA VAL B 61 8.763 6.654 1.337 1.00 0.00 H new ATOM 0 HB VAL B 61 10.129 5.817 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.376 7.949 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL B 61 9.632 8.242 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.385 8.401 0.341 1.00 0.00 H new ATOM 0 HG21 VAL B 61 12.175 5.908 0.139 1.00 0.00 H new ATOM 0 HG22 VAL B 61 11.187 6.343 1.554 1.00 0.00 H new ATOM 0 HG23 VAL B 61 11.001 4.743 0.796 1.00 0.00 H new ATOM 1928 N TYR B 62 6.992 7.872 0.053 1.00 0.00 N ATOM 1929 CA TYR B 62 5.959 8.635 -0.713 1.00 0.00 C ATOM 1930 C TYR B 62 6.130 10.122 -0.367 1.00 0.00 C ATOM 1931 O TYR B 62 6.396 10.451 0.771 1.00 0.00 O ATOM 1932 CB TYR B 62 4.563 8.166 -0.288 1.00 0.00 C ATOM 1933 CG TYR B 62 3.512 9.061 -0.906 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.221 10.300 -0.327 1.00 0.00 C ATOM 1935 CD2 TYR B 62 2.828 8.651 -2.057 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.247 11.130 -0.896 1.00 0.00 C ATOM 1937 CE2 TYR B 62 1.855 9.479 -2.626 1.00 0.00 C ATOM 1938 CZ TYR B 62 1.564 10.718 -2.047 1.00 0.00 C ATOM 1939 OH TYR B 62 0.605 11.536 -2.609 1.00 0.00 O ATOM 0 H TYR B 62 7.096 8.156 1.027 1.00 0.00 H new ATOM 0 HA TYR B 62 6.074 8.475 -1.785 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.405 7.134 -0.601 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.478 8.186 0.798 1.00 0.00 H new ATOM 0 HD1 TYR B 62 3.748 10.617 0.560 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.052 7.695 -2.506 1.00 0.00 H new ATOM 0 HE1 TYR B 62 2.023 12.087 -0.448 1.00 0.00 H new ATOM 0 HE2 TYR B 62 1.328 9.161 -3.513 1.00 0.00 H new ATOM 0 HH TYR B 62 -0.023 11.828 -1.916 1.00 0.00 H new ATOM 1949 N PRO B 63 5.991 11.026 -1.313 1.00 0.00 N ATOM 1950 CA PRO B 63 6.151 12.483 -1.029 1.00 0.00 C ATOM 1951 C PRO B 63 4.899 13.097 -0.388 1.00 0.00 C ATOM 1952 O PRO B 63 3.908 13.334 -1.046 1.00 0.00 O ATOM 1953 CB PRO B 63 6.390 13.082 -2.416 1.00 0.00 C ATOM 1954 CG PRO B 63 5.623 12.195 -3.344 1.00 0.00 C ATOM 1955 CD PRO B 63 5.689 10.785 -2.739 1.00 0.00 C ATOM 0 HA PRO B 63 6.954 12.676 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO B 63 6.038 14.112 -2.470 1.00 0.00 H new ATOM 0 HB3 PRO B 63 7.451 13.095 -2.665 1.00 0.00 H new ATOM 0 HG2 PRO B 63 4.590 12.530 -3.439 1.00 0.00 H new ATOM 0 HG3 PRO B 63 6.056 12.210 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO B 63 4.746 10.252 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO B 63 6.462 10.181 -3.215 1.00 0.00 H new ATOM 1963 N LEU B 64 4.951 13.378 0.890 1.00 0.00 N ATOM 1964 CA LEU B 64 3.777 14.001 1.580 1.00 0.00 C ATOM 1965 C LEU B 64 3.986 15.516 1.631 1.00 0.00 C ATOM 1966 O LEU B 64 3.194 16.248 2.192 1.00 0.00 O ATOM 1967 CB LEU B 64 3.619 13.446 3.014 1.00 0.00 C ATOM 1968 CG LEU B 64 4.984 13.173 3.680 1.00 0.00 C ATOM 1969 CD1 LEU B 64 5.672 11.928 3.065 1.00 0.00 C ATOM 1970 CD2 LEU B 64 5.886 14.413 3.556 1.00 0.00 C ATOM 0 H LEU B 64 5.758 13.203 1.488 1.00 0.00 H new ATOM 0 HA LEU B 64 2.870 13.763 1.025 1.00 0.00 H new ATOM 0 HB2 LEU B 64 3.056 14.157 3.618 1.00 0.00 H new ATOM 0 HB3 LEU B 64 3.039 12.524 2.984 1.00 0.00 H new ATOM 0 HG LEU B 64 4.815 12.964 4.736 1.00 0.00 H new ATOM 0 HD11 LEU B 64 6.631 11.763 3.556 1.00 0.00 H new ATOM 0 HD12 LEU B 64 5.036 11.054 3.207 1.00 0.00 H new ATOM 0 HD13 LEU B 64 5.833 12.091 1.999 1.00 0.00 H new ATOM 0 HD21 LEU B 64 6.848 14.212 4.029 1.00 0.00 H new ATOM 0 HD22 LEU B 64 6.041 14.646 2.503 1.00 0.00 H new ATOM 0 HD23 LEU B 64 5.409 15.260 4.049 1.00 0.00 H new ATOM 1982 N GLU B 65 5.056 15.988 1.057 1.00 0.00 N ATOM 1983 CA GLU B 65 5.342 17.449 1.073 1.00 0.00 C ATOM 1984 C GLU B 65 4.121 18.229 0.583 1.00 0.00 C ATOM 1985 O GLU B 65 3.890 18.374 -0.602 1.00 0.00 O ATOM 1986 CB GLU B 65 6.539 17.736 0.167 1.00 0.00 C ATOM 1987 CG GLU B 65 7.781 17.026 0.717 1.00 0.00 C ATOM 1988 CD GLU B 65 8.327 17.795 1.923 1.00 0.00 C ATOM 1989 OE1 GLU B 65 7.735 17.697 2.985 1.00 0.00 O ATOM 1990 OE2 GLU B 65 9.332 18.468 1.763 1.00 0.00 O ATOM 0 H GLU B 65 5.751 15.419 0.573 1.00 0.00 H new ATOM 0 HA GLU B 65 5.571 17.762 2.092 1.00 0.00 H new ATOM 0 HB2 GLU B 65 6.331 17.394 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU B 65 6.716 18.810 0.111 1.00 0.00 H new ATOM 0 HG2 GLU B 65 7.529 16.006 1.008 1.00 0.00 H new ATOM 0 HG3 GLU B 65 8.545 16.957 -0.058 1.00 0.00 H new ATOM 1997 N HIS B 66 3.346 18.739 1.495 1.00 0.00 N ATOM 1998 CA HIS B 66 2.139 19.526 1.121 1.00 0.00 C ATOM 1999 C HIS B 66 1.628 20.222 2.387 1.00 0.00 C ATOM 2000 O HIS B 66 0.441 20.352 2.610 1.00 0.00 O ATOM 2001 CB HIS B 66 1.065 18.573 0.553 1.00 0.00 C ATOM 2002 CG HIS B 66 0.257 19.265 -0.519 1.00 0.00 C ATOM 2003 ND1 HIS B 66 0.434 18.995 -1.868 1.00 0.00 N ATOM 2004 CD2 HIS B 66 -0.737 20.214 -0.454 1.00 0.00 C ATOM 2005 CE1 HIS B 66 -0.432 19.763 -2.556 1.00 0.00 C ATOM 2006 NE2 HIS B 66 -1.167 20.521 -1.741 1.00 0.00 N ATOM 0 H HIS B 66 3.499 18.643 2.499 1.00 0.00 H new ATOM 0 HA HIS B 66 2.373 20.269 0.359 1.00 0.00 H new ATOM 0 HB2 HIS B 66 1.541 17.684 0.140 1.00 0.00 H new ATOM 0 HB3 HIS B 66 0.406 18.239 1.355 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -1.123 20.652 0.454 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -0.520 19.765 -3.632 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -1.893 21.187 -2.006 1.00 0.00 H new ATOM 2014 N HIS B 67 2.534 20.648 3.223 1.00 0.00 N ATOM 2015 CA HIS B 67 2.145 21.315 4.496 1.00 0.00 C ATOM 2016 C HIS B 67 1.438 22.647 4.207 1.00 0.00 C ATOM 2017 O HIS B 67 0.793 22.815 3.192 1.00 0.00 O ATOM 2018 CB HIS B 67 3.412 21.562 5.337 1.00 0.00 C ATOM 2019 CG HIS B 67 3.069 21.612 6.804 1.00 0.00 C ATOM 2020 ND1 HIS B 67 1.761 21.533 7.263 1.00 0.00 N ATOM 2021 CD2 HIS B 67 3.853 21.725 7.925 1.00 0.00 C ATOM 2022 CE1 HIS B 67 1.798 21.597 8.607 1.00 0.00 C ATOM 2023 NE2 HIS B 67 3.048 21.716 9.057 1.00 0.00 N ATOM 0 H HIS B 67 3.540 20.561 3.076 1.00 0.00 H new ATOM 0 HA HIS B 67 1.456 20.674 5.046 1.00 0.00 H new ATOM 0 HB2 HIS B 67 4.138 20.770 5.154 1.00 0.00 H new ATOM 0 HB3 HIS B 67 3.880 22.499 5.034 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.930 21.808 7.927 1.00 0.00 H new ATOM 0 HE1 HIS B 67 0.925 21.557 9.242 1.00 0.00 H new ATOM 0 HE2 HIS B 67 3.350 21.786 10.029 1.00 0.00 H new ATOM 2031 N HIS B 68 1.549 23.588 5.108 1.00 0.00 N ATOM 2032 CA HIS B 68 0.881 24.906 4.912 1.00 0.00 C ATOM 2033 C HIS B 68 1.423 25.588 3.647 1.00 0.00 C ATOM 2034 O HIS B 68 1.201 25.127 2.544 1.00 0.00 O ATOM 2035 CB HIS B 68 1.152 25.784 6.138 1.00 0.00 C ATOM 2036 CG HIS B 68 0.335 27.046 6.064 1.00 0.00 C ATOM 2037 ND1 HIS B 68 0.607 28.056 5.153 1.00 0.00 N ATOM 2038 CD2 HIS B 68 -0.739 27.487 6.800 1.00 0.00 C ATOM 2039 CE1 HIS B 68 -0.282 29.043 5.360 1.00 0.00 C ATOM 2040 NE2 HIS B 68 -1.122 28.746 6.351 1.00 0.00 N ATOM 0 H HIS B 68 2.077 23.498 5.976 1.00 0.00 H new ATOM 0 HA HIS B 68 -0.193 24.760 4.793 1.00 0.00 H new ATOM 0 HB2 HIS B 68 0.907 25.236 7.048 1.00 0.00 H new ATOM 0 HB3 HIS B 68 2.212 26.031 6.190 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -1.212 26.940 7.602 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -0.312 29.962 4.794 1.00 0.00 H new ATOM 0 HE2 HIS B 68 -1.886 29.322 6.706 1.00 0.00 H new ATOM 2048 N HIS B 69 2.126 26.683 3.799 1.00 0.00 N ATOM 2049 CA HIS B 69 2.678 27.406 2.609 1.00 0.00 C ATOM 2050 C HIS B 69 1.616 27.469 1.505 1.00 0.00 C ATOM 2051 O HIS B 69 1.572 26.636 0.623 1.00 0.00 O ATOM 2052 CB HIS B 69 3.917 26.665 2.097 1.00 0.00 C ATOM 2053 CG HIS B 69 4.733 26.203 3.271 1.00 0.00 C ATOM 2054 ND1 HIS B 69 4.272 25.232 4.149 1.00 0.00 N ATOM 2055 CD2 HIS B 69 5.974 26.570 3.733 1.00 0.00 C ATOM 2056 CE1 HIS B 69 5.219 25.051 5.087 1.00 0.00 C ATOM 2057 NE2 HIS B 69 6.273 25.839 4.878 1.00 0.00 N ATOM 0 H HIS B 69 2.343 27.110 4.700 1.00 0.00 H new ATOM 0 HA HIS B 69 2.955 28.421 2.894 1.00 0.00 H new ATOM 0 HB2 HIS B 69 3.620 25.812 1.487 1.00 0.00 H new ATOM 0 HB3 HIS B 69 4.511 27.321 1.461 1.00 0.00 H new ATOM 0 HD2 HIS B 69 6.616 27.310 3.279 1.00 0.00 H new ATOM 0 HE1 HIS B 69 5.135 24.354 5.907 1.00 0.00 H new ATOM 0 HE2 HIS B 69 7.122 25.895 5.440 1.00 0.00 H new ATOM 2065 N HIS B 70 0.754 28.449 1.556 1.00 0.00 N ATOM 2066 CA HIS B 70 -0.313 28.561 0.521 1.00 0.00 C ATOM 2067 C HIS B 70 0.315 28.750 -0.865 1.00 0.00 C ATOM 2068 O HIS B 70 1.226 28.043 -1.248 1.00 0.00 O ATOM 2069 CB HIS B 70 -1.208 29.762 0.842 1.00 0.00 C ATOM 2070 CG HIS B 70 -0.405 31.028 0.730 1.00 0.00 C ATOM 2071 ND1 HIS B 70 0.948 31.253 0.668 1.00 0.00 N flip ATOM 2072 CD2 HIS B 70 -1.001 32.279 0.662 1.00 0.00 C flip ATOM 2073 CE1 HIS B 70 1.187 32.616 0.562 1.00 0.00 C flip ATOM 2074 NE2 HIS B 70 -0.018 33.192 0.563 1.00 0.00 N flip ATOM 0 H HIS B 70 0.743 29.177 2.270 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.907 27.647 0.521 1.00 0.00 H new ATOM 0 HB2 HIS B 70 -2.054 29.793 0.155 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -1.617 29.666 1.848 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -2.061 32.483 0.684 1.00 0.00 H new ATOM 0 HE1 HIS B 70 2.146 33.108 0.493 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -0.173 34.198 0.497 1.00 0.00 H new ATOM 2082 N HIS B 71 -0.174 29.697 -1.620 1.00 0.00 N ATOM 2083 CA HIS B 71 0.386 29.932 -2.982 1.00 0.00 C ATOM 2084 C HIS B 71 1.847 30.369 -2.869 1.00 0.00 C ATOM 2085 O HIS B 71 2.108 31.549 -3.034 1.00 0.00 O ATOM 2086 CB HIS B 71 -0.425 31.027 -3.683 1.00 0.00 C ATOM 2087 CG HIS B 71 -1.867 30.607 -3.766 1.00 0.00 C ATOM 2088 ND1 HIS B 71 -2.323 29.415 -3.220 1.00 0.00 N ATOM 2089 CD2 HIS B 71 -2.968 31.206 -4.330 1.00 0.00 C ATOM 2090 CE1 HIS B 71 -3.644 29.335 -3.463 1.00 0.00 C ATOM 2091 NE2 HIS B 71 -4.083 30.401 -4.136 1.00 0.00 N ATOM 2092 OXT HIS B 71 2.682 29.514 -2.619 1.00 0.00 O ATOM 0 H HIS B 71 -0.937 30.318 -1.352 1.00 0.00 H new ATOM 0 HA HIS B 71 0.331 29.010 -3.561 1.00 0.00 H new ATOM 0 HB2 HIS B 71 -0.339 31.965 -3.135 1.00 0.00 H new ATOM 0 HB3 HIS B 71 -0.029 31.205 -4.683 1.00 0.00 H new ATOM 0 HD2 HIS B 71 -2.966 32.156 -4.844 1.00 0.00 H new ATOM 0 HE1 HIS B 71 -4.270 28.512 -3.153 1.00 0.00 H new ATOM 0 HE2 HIS B 71 -5.038 30.586 -4.444 1.00 0.00 H new TER 2100 HIS B 71