USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 672 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 42 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.38) USER MOD Set 2.1: A 40 TYR OH : rot 92:sc= 0.463 USER MOD Set 2.2: B 33 HIS : no HD1:sc= 0.0794 K(o=3.3,f=-8.9!) USER MOD Set 2.3: B 36 LYS NZ :NH3+ 156:sc= 2.8 (180deg=0.551) USER MOD Set 3.1: A 33 HIS : no HD1:sc= -0.997 K(o=1,f=-12!) USER MOD Set 3.2: A 36 LYS NZ :NH3+ -153:sc= 1.33 (180deg=-0.371) USER MOD Set 3.3: B 40 TYR OH : rot 180:sc= 0.707 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.171 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -162:sc= 0.765 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 34 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 35 ASN : amide:sc= 0.393 X(o=0.39,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.807 K(o=0.81,f=-5.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 174:sc= 1.3 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= -0.018 USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : B 39 GLN : amide:sc= 0.66 K(o=0.66,f=-0.036) USER MOD Single : B 42 HIS : no HD1:sc= -0.714 K(o=-0.71,f=-4.1!) USER MOD Single : B 44 SER OG : rot 44:sc= 0.206 USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 28:sc= 0.0258 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.487 1.449 -21.162 1.00 0.00 N ATOM 2 CA GLY A 1 -28.956 2.743 -21.619 1.00 0.00 C ATOM 3 C GLY A 1 -27.466 2.752 -21.354 1.00 0.00 C ATOM 4 O GLY A 1 -26.867 1.678 -21.374 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.054 1.019 -21.920 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.698 0.817 -20.918 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.085 1.596 -20.324 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.156 2.884 -22.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.443 3.563 -21.091 1.00 0.00 H new ATOM 8 N SER A 2 -26.878 3.924 -21.127 1.00 0.00 N ATOM 9 CA SER A 2 -25.456 4.027 -20.845 1.00 0.00 C ATOM 10 C SER A 2 -25.134 3.402 -19.478 1.00 0.00 C ATOM 11 O SER A 2 -26.039 3.068 -18.711 1.00 0.00 O ATOM 12 CB SER A 2 -25.067 5.508 -20.859 1.00 0.00 C ATOM 13 OG SER A 2 -25.572 6.143 -22.023 1.00 0.00 O ATOM 0 H SER A 2 -27.370 4.817 -21.134 1.00 0.00 H new ATOM 0 HA SER A 2 -24.888 3.487 -21.602 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.459 6.001 -19.969 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.982 5.605 -20.826 1.00 0.00 H new ATOM 0 HG SER A 2 -25.317 7.089 -22.016 1.00 0.00 H new ATOM 19 N SER A 3 -23.849 3.215 -19.183 1.00 0.00 N ATOM 20 CA SER A 3 -23.346 2.666 -17.927 1.00 0.00 C ATOM 21 C SER A 3 -22.063 3.433 -17.601 1.00 0.00 C ATOM 22 O SER A 3 -21.296 3.762 -18.514 1.00 0.00 O ATOM 23 CB SER A 3 -23.164 1.140 -17.998 1.00 0.00 C ATOM 24 OG SER A 3 -23.034 0.661 -19.331 1.00 0.00 O ATOM 0 H SER A 3 -23.103 3.451 -19.837 1.00 0.00 H new ATOM 0 HA SER A 3 -24.062 2.800 -17.116 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.279 0.857 -17.428 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.017 0.655 -17.524 1.00 0.00 H new ATOM 0 HG SER A 3 -22.919 -0.312 -19.319 1.00 0.00 H new ATOM 30 N GLY A 4 -21.815 3.710 -16.321 1.00 0.00 N ATOM 31 CA GLY A 4 -20.656 4.466 -15.861 1.00 0.00 C ATOM 32 C GLY A 4 -21.127 5.886 -15.558 1.00 0.00 C ATOM 33 O GLY A 4 -21.912 6.444 -16.328 1.00 0.00 O ATOM 0 H GLY A 4 -22.427 3.408 -15.563 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.227 4.006 -14.971 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.877 4.475 -16.623 1.00 0.00 H new ATOM 37 N SER A 5 -20.706 6.451 -14.429 1.00 0.00 N ATOM 38 CA SER A 5 -21.080 7.795 -13.998 1.00 0.00 C ATOM 39 C SER A 5 -20.170 8.269 -12.861 1.00 0.00 C ATOM 40 O SER A 5 -19.409 7.480 -12.292 1.00 0.00 O ATOM 41 CB SER A 5 -22.545 7.765 -13.522 1.00 0.00 C ATOM 42 OG SER A 5 -22.793 6.695 -12.616 1.00 0.00 O ATOM 0 H SER A 5 -20.083 5.977 -13.775 1.00 0.00 H new ATOM 0 HA SER A 5 -20.969 8.489 -14.831 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.788 8.712 -13.039 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.204 7.669 -14.385 1.00 0.00 H new ATOM 0 HG SER A 5 -23.732 6.713 -12.338 1.00 0.00 H new ATOM 48 N SER A 6 -20.270 9.546 -12.505 1.00 0.00 N ATOM 49 CA SER A 6 -19.530 10.191 -11.436 1.00 0.00 C ATOM 50 C SER A 6 -20.381 11.375 -10.951 1.00 0.00 C ATOM 51 O SER A 6 -21.415 11.695 -11.546 1.00 0.00 O ATOM 52 CB SER A 6 -18.135 10.590 -11.949 1.00 0.00 C ATOM 53 OG SER A 6 -17.256 11.020 -10.920 1.00 0.00 O ATOM 0 H SER A 6 -20.903 10.188 -12.982 1.00 0.00 H new ATOM 0 HA SER A 6 -19.353 9.532 -10.586 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.689 9.740 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.241 11.389 -12.683 1.00 0.00 H new ATOM 0 HG SER A 6 -16.388 11.257 -11.309 1.00 0.00 H new ATOM 59 N GLY A 7 -19.969 12.022 -9.866 1.00 0.00 N ATOM 60 CA GLY A 7 -20.607 13.170 -9.240 1.00 0.00 C ATOM 61 C GLY A 7 -19.558 14.254 -8.994 1.00 0.00 C ATOM 62 O GLY A 7 -18.407 14.094 -9.408 1.00 0.00 O ATOM 0 H GLY A 7 -19.125 11.738 -9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.401 13.554 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.071 12.875 -8.299 1.00 0.00 H new ATOM 66 N PRO A 8 -19.922 15.378 -8.357 1.00 0.00 N ATOM 67 CA PRO A 8 -18.970 16.447 -8.081 1.00 0.00 C ATOM 68 C PRO A 8 -17.888 15.938 -7.119 1.00 0.00 C ATOM 69 O PRO A 8 -16.693 16.160 -7.338 1.00 0.00 O ATOM 70 CB PRO A 8 -19.805 17.594 -7.496 1.00 0.00 C ATOM 71 CG PRO A 8 -21.049 16.908 -6.924 1.00 0.00 C ATOM 72 CD PRO A 8 -21.241 15.689 -7.826 1.00 0.00 C ATOM 0 HA PRO A 8 -18.437 16.791 -8.968 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.256 18.130 -6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -20.070 18.323 -8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -20.903 16.617 -5.884 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -21.917 17.567 -6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -21.645 14.847 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -21.945 15.904 -8.630 1.00 0.00 H new ATOM 80 N LEU A 9 -18.314 15.268 -6.050 1.00 0.00 N ATOM 81 CA LEU A 9 -17.517 14.673 -4.994 1.00 0.00 C ATOM 82 C LEU A 9 -18.358 13.575 -4.348 1.00 0.00 C ATOM 83 O LEU A 9 -19.518 13.380 -4.721 1.00 0.00 O ATOM 84 CB LEU A 9 -17.048 15.752 -3.990 1.00 0.00 C ATOM 85 CG LEU A 9 -18.110 16.716 -3.416 1.00 0.00 C ATOM 86 CD1 LEU A 9 -19.172 16.049 -2.537 1.00 0.00 C ATOM 87 CD2 LEU A 9 -17.401 17.777 -2.568 1.00 0.00 C ATOM 0 H LEU A 9 -19.311 15.118 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.604 14.228 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.570 15.244 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.281 16.352 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 9 -18.631 17.134 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.874 16.802 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -19.709 15.300 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.690 15.569 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -18.138 18.466 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.862 17.292 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.697 18.329 -3.190 1.00 0.00 H new ATOM 99 N GLU A 10 -17.780 12.875 -3.377 1.00 0.00 N ATOM 100 CA GLU A 10 -18.421 11.798 -2.638 1.00 0.00 C ATOM 101 C GLU A 10 -18.315 12.104 -1.141 1.00 0.00 C ATOM 102 O GLU A 10 -17.551 12.983 -0.721 1.00 0.00 O ATOM 103 CB GLU A 10 -17.789 10.430 -2.967 1.00 0.00 C ATOM 104 CG GLU A 10 -17.779 10.050 -4.458 1.00 0.00 C ATOM 105 CD GLU A 10 -16.692 10.744 -5.288 1.00 0.00 C ATOM 106 OE1 GLU A 10 -15.665 11.200 -4.728 1.00 0.00 O ATOM 107 OE2 GLU A 10 -16.839 10.817 -6.527 1.00 0.00 O ATOM 0 H GLU A 10 -16.822 13.049 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.469 11.737 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.762 10.426 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.327 9.658 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.649 8.971 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.752 10.289 -4.887 1.00 0.00 H new ATOM 114 N ARG A 11 -19.029 11.342 -0.315 1.00 0.00 N ATOM 115 CA ARG A 11 -19.075 11.477 1.142 1.00 0.00 C ATOM 116 C ARG A 11 -18.837 10.125 1.813 1.00 0.00 C ATOM 117 O ARG A 11 -19.545 9.750 2.747 1.00 0.00 O ATOM 118 CB ARG A 11 -20.403 12.138 1.555 1.00 0.00 C ATOM 119 CG ARG A 11 -21.631 11.388 1.009 1.00 0.00 C ATOM 120 CD ARG A 11 -22.923 11.823 1.687 1.00 0.00 C ATOM 121 NE ARG A 11 -22.970 11.401 3.093 1.00 0.00 N ATOM 122 CZ ARG A 11 -23.820 11.874 4.005 1.00 0.00 C ATOM 123 NH1 ARG A 11 -24.747 12.768 3.664 1.00 0.00 N ATOM 124 NH2 ARG A 11 -23.715 11.460 5.258 1.00 0.00 N ATOM 0 H ARG A 11 -19.617 10.581 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.271 12.129 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -20.461 12.180 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.420 13.167 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.711 11.560 -0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -21.492 10.316 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -23.016 12.907 1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -23.774 11.401 1.152 1.00 0.00 H new ATOM 0 HE ARG A 11 -22.302 10.692 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -24.810 13.095 2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -25.394 13.125 4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -22.991 10.788 5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -24.358 11.813 5.967 1.00 0.00 H new ATOM 138 N GLU A 12 -17.849 9.377 1.329 1.00 0.00 N ATOM 139 CA GLU A 12 -17.498 8.059 1.850 1.00 0.00 C ATOM 140 C GLU A 12 -16.197 8.132 2.667 1.00 0.00 C ATOM 141 O GLU A 12 -15.516 9.166 2.697 1.00 0.00 O ATOM 142 CB GLU A 12 -17.399 7.063 0.681 1.00 0.00 C ATOM 143 CG GLU A 12 -18.707 6.904 -0.117 1.00 0.00 C ATOM 144 CD GLU A 12 -19.893 6.341 0.679 1.00 0.00 C ATOM 145 OE1 GLU A 12 -19.728 5.869 1.827 1.00 0.00 O ATOM 146 OE2 GLU A 12 -21.031 6.426 0.160 1.00 0.00 O ATOM 0 H GLU A 12 -17.260 9.675 0.551 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.275 7.708 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -16.610 7.390 0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -17.102 6.089 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.989 7.877 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.518 6.250 -0.968 1.00 0.00 H new ATOM 153 N GLY A 13 -15.863 7.030 3.334 1.00 0.00 N ATOM 154 CA GLY A 13 -14.701 6.810 4.189 1.00 0.00 C ATOM 155 C GLY A 13 -14.246 5.356 4.040 1.00 0.00 C ATOM 156 O GLY A 13 -14.635 4.694 3.068 1.00 0.00 O ATOM 0 H GLY A 13 -16.449 6.197 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.894 7.488 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -14.952 7.022 5.228 1.00 0.00 H new ATOM 160 N LEU A 14 -13.409 4.845 4.944 1.00 0.00 N ATOM 161 CA LEU A 14 -12.904 3.470 4.917 1.00 0.00 C ATOM 162 C LEU A 14 -12.885 2.856 6.312 1.00 0.00 C ATOM 163 O LEU A 14 -12.848 3.592 7.301 1.00 0.00 O ATOM 164 CB LEU A 14 -11.466 3.451 4.372 1.00 0.00 C ATOM 165 CG LEU A 14 -11.385 3.602 2.850 1.00 0.00 C ATOM 166 CD1 LEU A 14 -9.915 3.628 2.450 1.00 0.00 C ATOM 167 CD2 LEU A 14 -12.043 2.443 2.102 1.00 0.00 C ATOM 0 H LEU A 14 -13.055 5.387 5.733 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.570 2.892 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.899 4.256 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.989 2.515 4.662 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.911 4.520 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.834 3.735 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.421 4.469 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.437 2.698 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.954 2.606 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.548 1.509 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.097 2.386 2.374 1.00 0.00 H new ATOM 179 N PRO A 15 -12.891 1.514 6.413 1.00 0.00 N ATOM 180 CA PRO A 15 -12.850 0.860 7.709 1.00 0.00 C ATOM 181 C PRO A 15 -11.445 0.936 8.317 1.00 0.00 C ATOM 182 O PRO A 15 -10.467 1.159 7.596 1.00 0.00 O ATOM 183 CB PRO A 15 -13.244 -0.588 7.443 1.00 0.00 C ATOM 184 CG PRO A 15 -12.805 -0.828 6.005 1.00 0.00 C ATOM 185 CD PRO A 15 -12.945 0.529 5.333 1.00 0.00 C ATOM 0 HA PRO A 15 -13.520 1.339 8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.746 -1.271 8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -14.317 -0.739 7.564 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.778 -1.190 5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.429 -1.578 5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.144 0.694 4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.885 0.600 4.786 1.00 0.00 H new ATOM 193 N PRO A 16 -11.315 0.687 9.629 1.00 0.00 N ATOM 194 CA PRO A 16 -10.028 0.724 10.295 1.00 0.00 C ATOM 195 C PRO A 16 -9.139 -0.382 9.723 1.00 0.00 C ATOM 196 O PRO A 16 -9.563 -1.536 9.568 1.00 0.00 O ATOM 197 CB PRO A 16 -10.323 0.587 11.788 1.00 0.00 C ATOM 198 CG PRO A 16 -11.701 -0.070 11.846 1.00 0.00 C ATOM 199 CD PRO A 16 -12.387 0.403 10.567 1.00 0.00 C ATOM 0 HA PRO A 16 -9.476 1.650 10.136 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.571 -0.024 12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.325 1.558 12.283 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.624 -1.157 11.880 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.254 0.238 12.733 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.057 -0.363 10.176 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.991 1.291 10.752 1.00 0.00 H new ATOM 207 N GLY A 17 -7.900 -0.003 9.407 1.00 0.00 N ATOM 208 CA GLY A 17 -6.868 -0.859 8.832 1.00 0.00 C ATOM 209 C GLY A 17 -6.760 -0.673 7.316 1.00 0.00 C ATOM 210 O GLY A 17 -5.760 -1.084 6.722 1.00 0.00 O ATOM 0 H GLY A 17 -7.576 0.953 9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.908 -0.634 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.093 -1.902 9.056 1.00 0.00 H new ATOM 214 N TRP A 18 -7.754 -0.043 6.680 1.00 0.00 N ATOM 215 CA TRP A 18 -7.755 0.209 5.250 1.00 0.00 C ATOM 216 C TRP A 18 -7.474 1.684 5.010 1.00 0.00 C ATOM 217 O TRP A 18 -7.959 2.553 5.726 1.00 0.00 O ATOM 218 CB TRP A 18 -9.097 -0.186 4.642 1.00 0.00 C ATOM 219 CG TRP A 18 -9.231 -1.641 4.337 1.00 0.00 C ATOM 220 CD1 TRP A 18 -9.768 -2.583 5.141 1.00 0.00 C ATOM 221 CD2 TRP A 18 -8.779 -2.343 3.147 1.00 0.00 C ATOM 222 NE1 TRP A 18 -9.800 -3.787 4.474 1.00 0.00 N ATOM 223 CE2 TRP A 18 -9.173 -3.707 3.248 1.00 0.00 C ATOM 224 CE3 TRP A 18 -8.074 -1.954 1.990 1.00 0.00 C ATOM 225 CZ2 TRP A 18 -8.910 -4.633 2.227 1.00 0.00 C ATOM 226 CZ3 TRP A 18 -7.775 -2.878 0.975 1.00 0.00 C ATOM 227 CH2 TRP A 18 -8.204 -4.214 1.085 1.00 0.00 C ATOM 0 H TRP A 18 -8.585 0.307 7.156 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.980 -0.391 4.772 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.893 0.104 5.328 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.247 0.381 3.723 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.118 -2.418 6.149 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -10.234 -4.634 4.841 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -7.758 -0.927 1.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.246 -5.656 2.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -7.214 -2.562 0.108 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.991 -4.917 0.293 1.00 0.00 H new ATOM 238 N GLU A 19 -6.717 1.971 3.961 1.00 0.00 N ATOM 239 CA GLU A 19 -6.318 3.314 3.545 1.00 0.00 C ATOM 240 C GLU A 19 -6.489 3.401 2.025 1.00 0.00 C ATOM 241 O GLU A 19 -6.514 2.361 1.357 1.00 0.00 O ATOM 242 CB GLU A 19 -4.844 3.424 3.965 1.00 0.00 C ATOM 243 CG GLU A 19 -3.996 4.659 3.618 1.00 0.00 C ATOM 244 CD GLU A 19 -3.936 5.699 4.731 1.00 0.00 C ATOM 245 OE1 GLU A 19 -3.295 5.417 5.769 1.00 0.00 O ATOM 246 OE2 GLU A 19 -4.515 6.794 4.565 1.00 0.00 O ATOM 0 H GLU A 19 -6.346 1.245 3.348 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.904 4.120 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.815 3.316 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.330 2.560 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.982 4.337 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.401 5.125 2.720 1.00 0.00 H new ATOM 253 N ARG A 20 -6.579 4.603 1.454 1.00 0.00 N ATOM 254 CA ARG A 20 -6.710 4.827 0.017 1.00 0.00 C ATOM 255 C ARG A 20 -5.500 5.660 -0.365 1.00 0.00 C ATOM 256 O ARG A 20 -5.319 6.770 0.136 1.00 0.00 O ATOM 257 CB ARG A 20 -8.012 5.579 -0.266 1.00 0.00 C ATOM 258 CG ARG A 20 -8.264 5.928 -1.744 1.00 0.00 C ATOM 259 CD ARG A 20 -9.399 6.959 -1.854 1.00 0.00 C ATOM 260 NE ARG A 20 -8.984 8.243 -1.259 1.00 0.00 N ATOM 261 CZ ARG A 20 -9.689 9.075 -0.489 1.00 0.00 C ATOM 262 NH1 ARG A 20 -11.001 8.917 -0.348 1.00 0.00 N ATOM 263 NH2 ARG A 20 -9.066 10.055 0.154 1.00 0.00 N ATOM 0 H ARG A 20 -6.562 5.469 1.993 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.748 3.900 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.846 4.977 0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.012 6.502 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.354 6.327 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.525 5.027 -2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.667 7.105 -2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.289 6.586 -1.347 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.028 8.535 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.478 8.155 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.531 9.558 0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.057 10.168 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.596 10.696 0.745 1.00 0.00 H new ATOM 277 N VAL A 21 -4.690 5.138 -1.268 1.00 0.00 N ATOM 278 CA VAL A 21 -3.482 5.795 -1.741 1.00 0.00 C ATOM 279 C VAL A 21 -3.731 6.270 -3.176 1.00 0.00 C ATOM 280 O VAL A 21 -4.511 5.653 -3.908 1.00 0.00 O ATOM 281 CB VAL A 21 -2.314 4.801 -1.583 1.00 0.00 C ATOM 282 CG1 VAL A 21 -1.024 5.369 -2.161 1.00 0.00 C ATOM 283 CG2 VAL A 21 -2.034 4.435 -0.112 1.00 0.00 C ATOM 0 H VAL A 21 -4.855 4.230 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.216 6.682 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.624 3.907 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.219 4.645 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.161 5.577 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.767 6.292 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.202 3.733 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.780 5.337 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.922 3.977 0.324 1.00 0.00 H new ATOM 293 N GLU A 22 -3.082 7.367 -3.576 1.00 0.00 N ATOM 294 CA GLU A 22 -3.200 7.965 -4.900 1.00 0.00 C ATOM 295 C GLU A 22 -1.813 8.275 -5.468 1.00 0.00 C ATOM 296 O GLU A 22 -0.880 8.590 -4.722 1.00 0.00 O ATOM 297 CB GLU A 22 -4.131 9.189 -4.863 1.00 0.00 C ATOM 298 CG GLU A 22 -3.753 10.290 -3.861 1.00 0.00 C ATOM 299 CD GLU A 22 -4.895 11.304 -3.718 1.00 0.00 C ATOM 300 OE1 GLU A 22 -5.065 12.183 -4.601 1.00 0.00 O ATOM 301 OE2 GLU A 22 -5.675 11.180 -2.743 1.00 0.00 O ATOM 0 H GLU A 22 -2.442 7.875 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.664 7.251 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.162 9.628 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.140 8.847 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.530 9.846 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.848 10.798 -4.194 1.00 0.00 H new ATOM 308 N SER A 23 -1.684 8.194 -6.793 1.00 0.00 N ATOM 309 CA SER A 23 -0.457 8.426 -7.546 1.00 0.00 C ATOM 310 C SER A 23 -0.715 8.717 -9.026 1.00 0.00 C ATOM 311 O SER A 23 -1.689 8.230 -9.603 1.00 0.00 O ATOM 312 CB SER A 23 0.320 7.104 -7.494 1.00 0.00 C ATOM 313 OG SER A 23 1.405 7.027 -8.397 1.00 0.00 O ATOM 0 H SER A 23 -2.471 7.953 -7.396 1.00 0.00 H new ATOM 0 HA SER A 23 0.062 9.282 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.695 6.957 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.368 6.284 -7.701 1.00 0.00 H new ATOM 0 HG SER A 23 1.665 6.090 -8.517 1.00 0.00 H new ATOM 319 N SER A 24 0.199 9.442 -9.672 1.00 0.00 N ATOM 320 CA SER A 24 0.111 9.727 -11.100 1.00 0.00 C ATOM 321 C SER A 24 0.627 8.489 -11.872 1.00 0.00 C ATOM 322 O SER A 24 0.162 8.185 -12.975 1.00 0.00 O ATOM 323 CB SER A 24 0.930 10.979 -11.416 1.00 0.00 C ATOM 324 OG SER A 24 0.286 12.116 -10.862 1.00 0.00 O ATOM 0 H SER A 24 1.019 9.846 -9.219 1.00 0.00 H new ATOM 0 HA SER A 24 -0.918 9.922 -11.403 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.936 10.882 -11.007 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.034 11.096 -12.495 1.00 0.00 H new ATOM 0 HG SER A 24 0.811 12.919 -11.062 1.00 0.00 H new ATOM 330 N GLU A 25 1.558 7.732 -11.277 1.00 0.00 N ATOM 331 CA GLU A 25 2.172 6.532 -11.837 1.00 0.00 C ATOM 332 C GLU A 25 1.285 5.293 -11.677 1.00 0.00 C ATOM 333 O GLU A 25 1.337 4.401 -12.526 1.00 0.00 O ATOM 334 CB GLU A 25 3.512 6.299 -11.105 1.00 0.00 C ATOM 335 CG GLU A 25 4.337 5.066 -11.534 1.00 0.00 C ATOM 336 CD GLU A 25 4.937 5.120 -12.945 1.00 0.00 C ATOM 337 OE1 GLU A 25 4.473 5.892 -13.815 1.00 0.00 O ATOM 338 OE2 GLU A 25 5.969 4.443 -13.179 1.00 0.00 O ATOM 0 H GLU A 25 1.917 7.954 -10.349 1.00 0.00 H new ATOM 0 HA GLU A 25 2.319 6.685 -12.906 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.131 7.186 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.306 6.215 -10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.149 4.930 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.700 4.184 -11.464 1.00 0.00 H new ATOM 345 N PHE A 26 0.419 5.257 -10.657 1.00 0.00 N ATOM 346 CA PHE A 26 -0.455 4.108 -10.378 1.00 0.00 C ATOM 347 C PHE A 26 -1.961 4.385 -10.475 1.00 0.00 C ATOM 348 O PHE A 26 -2.704 3.541 -10.976 1.00 0.00 O ATOM 349 CB PHE A 26 -0.059 3.493 -9.034 1.00 0.00 C ATOM 350 CG PHE A 26 1.422 3.152 -8.947 1.00 0.00 C ATOM 351 CD1 PHE A 26 1.964 2.152 -9.780 1.00 0.00 C ATOM 352 CD2 PHE A 26 2.267 3.842 -8.054 1.00 0.00 C ATOM 353 CE1 PHE A 26 3.334 1.844 -9.719 1.00 0.00 C ATOM 354 CE2 PHE A 26 3.640 3.538 -8.002 1.00 0.00 C ATOM 355 CZ PHE A 26 4.175 2.539 -8.834 1.00 0.00 C ATOM 0 H PHE A 26 0.303 6.027 -9.998 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.290 3.389 -11.181 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.313 4.188 -8.234 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.644 2.589 -8.868 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.324 1.620 -10.468 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.860 4.606 -7.408 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.741 1.071 -10.354 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.285 4.074 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.229 2.307 -8.793 1.00 0.00 H new ATOM 365 N GLY A 27 -2.434 5.551 -10.040 1.00 0.00 N ATOM 366 CA GLY A 27 -3.832 5.945 -10.088 1.00 0.00 C ATOM 367 C GLY A 27 -4.312 6.057 -8.666 1.00 0.00 C ATOM 368 O GLY A 27 -3.861 6.914 -7.919 1.00 0.00 O ATOM 0 H GLY A 27 -1.832 6.267 -9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.946 6.896 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.421 5.209 -10.636 1.00 0.00 H new ATOM 372 N THR A 28 -5.162 5.134 -8.268 1.00 0.00 N ATOM 373 CA THR A 28 -5.733 5.069 -6.938 1.00 0.00 C ATOM 374 C THR A 28 -5.768 3.601 -6.552 1.00 0.00 C ATOM 375 O THR A 28 -6.261 2.768 -7.322 1.00 0.00 O ATOM 376 CB THR A 28 -7.156 5.661 -6.903 1.00 0.00 C ATOM 377 OG1 THR A 28 -7.352 6.719 -7.820 1.00 0.00 O ATOM 378 CG2 THR A 28 -7.543 6.135 -5.500 1.00 0.00 C ATOM 0 H THR A 28 -5.485 4.385 -8.880 1.00 0.00 H new ATOM 0 HA THR A 28 -5.133 5.654 -6.241 1.00 0.00 H new ATOM 0 HB THR A 28 -7.805 4.838 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.273 7.048 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.553 6.545 -5.520 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.507 5.293 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.845 6.905 -5.171 1.00 0.00 H new ATOM 386 N TYR A 29 -5.210 3.254 -5.400 1.00 0.00 N ATOM 387 CA TYR A 29 -5.219 1.876 -4.925 1.00 0.00 C ATOM 388 C TYR A 29 -5.510 1.851 -3.429 1.00 0.00 C ATOM 389 O TYR A 29 -5.547 2.885 -2.764 1.00 0.00 O ATOM 390 CB TYR A 29 -3.959 1.116 -5.362 1.00 0.00 C ATOM 391 CG TYR A 29 -2.646 1.640 -4.832 1.00 0.00 C ATOM 392 CD1 TYR A 29 -1.965 2.655 -5.532 1.00 0.00 C ATOM 393 CD2 TYR A 29 -2.093 1.094 -3.657 1.00 0.00 C ATOM 394 CE1 TYR A 29 -0.728 3.123 -5.064 1.00 0.00 C ATOM 395 CE2 TYR A 29 -0.846 1.547 -3.195 1.00 0.00 C ATOM 396 CZ TYR A 29 -0.161 2.560 -3.899 1.00 0.00 C ATOM 397 OH TYR A 29 1.039 2.997 -3.446 1.00 0.00 O ATOM 0 H TYR A 29 -4.743 3.911 -4.774 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.030 1.323 -5.398 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.062 0.076 -5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.916 1.122 -6.451 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.395 3.073 -6.430 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.626 0.329 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.211 3.911 -5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.412 1.121 -2.302 1.00 0.00 H new ATOM 0 HH TYR A 29 1.281 2.504 -2.634 1.00 0.00 H new ATOM 407 N TYR A 30 -5.751 0.657 -2.901 1.00 0.00 N ATOM 408 CA TYR A 30 -6.072 0.432 -1.503 1.00 0.00 C ATOM 409 C TYR A 30 -5.181 -0.670 -0.963 1.00 0.00 C ATOM 410 O TYR A 30 -4.882 -1.636 -1.674 1.00 0.00 O ATOM 411 CB TYR A 30 -7.541 0.010 -1.363 1.00 0.00 C ATOM 412 CG TYR A 30 -8.552 0.935 -2.006 1.00 0.00 C ATOM 413 CD1 TYR A 30 -8.807 0.828 -3.385 1.00 0.00 C ATOM 414 CD2 TYR A 30 -9.244 1.884 -1.234 1.00 0.00 C ATOM 415 CE1 TYR A 30 -9.739 1.675 -4.005 1.00 0.00 C ATOM 416 CE2 TYR A 30 -10.184 2.734 -1.845 1.00 0.00 C ATOM 417 CZ TYR A 30 -10.423 2.643 -3.237 1.00 0.00 C ATOM 418 OH TYR A 30 -11.311 3.485 -3.830 1.00 0.00 O ATOM 0 H TYR A 30 -5.727 -0.202 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.910 1.353 -0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.658 -0.984 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.776 -0.075 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.282 0.089 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.054 1.961 -0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.932 1.587 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.724 3.457 -1.251 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.692 4.086 -3.156 1.00 0.00 H new ATOM 428 N VAL A 31 -4.856 -0.582 0.319 1.00 0.00 N ATOM 429 CA VAL A 31 -4.011 -1.526 1.028 1.00 0.00 C ATOM 430 C VAL A 31 -4.655 -1.873 2.372 1.00 0.00 C ATOM 431 O VAL A 31 -5.213 -1.003 3.051 1.00 0.00 O ATOM 432 CB VAL A 31 -2.601 -0.922 1.202 1.00 0.00 C ATOM 433 CG1 VAL A 31 -1.645 -1.894 1.909 1.00 0.00 C ATOM 434 CG2 VAL A 31 -1.970 -0.516 -0.136 1.00 0.00 C ATOM 0 H VAL A 31 -5.187 0.178 0.914 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.910 -2.450 0.458 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.742 -0.033 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.664 -1.430 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.037 -2.136 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.555 -2.807 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.979 -0.097 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.884 -1.392 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.598 0.230 -0.623 1.00 0.00 H new ATOM 444 N ASP A 32 -4.571 -3.157 2.727 1.00 0.00 N ATOM 445 CA ASP A 32 -5.077 -3.757 3.956 1.00 0.00 C ATOM 446 C ASP A 32 -3.908 -3.995 4.885 1.00 0.00 C ATOM 447 O ASP A 32 -3.004 -4.764 4.556 1.00 0.00 O ATOM 448 CB ASP A 32 -5.703 -5.133 3.679 1.00 0.00 C ATOM 449 CG ASP A 32 -6.200 -5.818 4.960 1.00 0.00 C ATOM 450 OD1 ASP A 32 -6.399 -5.154 5.999 1.00 0.00 O ATOM 451 OD2 ASP A 32 -6.331 -7.065 4.950 1.00 0.00 O ATOM 0 H ASP A 32 -4.119 -3.845 2.124 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.822 -3.086 4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.536 -5.017 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.968 -5.772 3.190 1.00 0.00 H new ATOM 456 N HIS A 33 -3.887 -3.329 6.029 1.00 0.00 N ATOM 457 CA HIS A 33 -2.823 -3.507 7.001 1.00 0.00 C ATOM 458 C HIS A 33 -2.927 -4.858 7.707 1.00 0.00 C ATOM 459 O HIS A 33 -1.928 -5.329 8.263 1.00 0.00 O ATOM 460 CB HIS A 33 -2.887 -2.380 8.033 1.00 0.00 C ATOM 461 CG HIS A 33 -1.963 -1.253 7.699 1.00 0.00 C ATOM 462 ND1 HIS A 33 -0.618 -1.199 8.055 1.00 0.00 N ATOM 463 CD2 HIS A 33 -2.267 -0.164 6.944 1.00 0.00 C ATOM 464 CE1 HIS A 33 -0.151 -0.036 7.582 1.00 0.00 C ATOM 465 NE2 HIS A 33 -1.114 0.584 6.879 1.00 0.00 N ATOM 0 H HIS A 33 -4.601 -2.656 6.307 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.870 -3.479 6.472 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.908 -2.004 8.094 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.633 -2.776 9.016 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.219 0.067 6.489 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.847 0.345 7.741 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.007 1.466 6.378 1.00 0.00 H new ATOM 473 N THR A 34 -4.084 -5.514 7.648 1.00 0.00 N ATOM 474 CA THR A 34 -4.324 -6.783 8.295 1.00 0.00 C ATOM 475 C THR A 34 -3.573 -7.914 7.609 1.00 0.00 C ATOM 476 O THR A 34 -2.828 -8.646 8.261 1.00 0.00 O ATOM 477 CB THR A 34 -5.830 -7.094 8.301 1.00 0.00 C ATOM 478 OG1 THR A 34 -6.621 -5.943 8.513 1.00 0.00 O ATOM 479 CG2 THR A 34 -6.136 -8.116 9.383 1.00 0.00 C ATOM 0 H THR A 34 -4.893 -5.162 7.135 1.00 0.00 H new ATOM 0 HA THR A 34 -3.958 -6.706 9.319 1.00 0.00 H new ATOM 0 HB THR A 34 -6.080 -7.489 7.316 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.897 -5.572 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.204 -8.335 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.578 -9.032 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.846 -7.716 10.354 1.00 0.00 H new ATOM 487 N ASN A 35 -3.728 -8.018 6.290 1.00 0.00 N ATOM 488 CA ASN A 35 -3.123 -9.076 5.489 1.00 0.00 C ATOM 489 C ASN A 35 -2.019 -8.567 4.581 1.00 0.00 C ATOM 490 O ASN A 35 -1.456 -9.334 3.807 1.00 0.00 O ATOM 491 CB ASN A 35 -4.227 -9.755 4.677 1.00 0.00 C ATOM 492 CG ASN A 35 -5.167 -10.550 5.555 1.00 0.00 C ATOM 493 OD1 ASN A 35 -4.894 -11.696 5.886 1.00 0.00 O ATOM 494 ND2 ASN A 35 -6.258 -9.942 5.970 1.00 0.00 N ATOM 0 H ASN A 35 -4.284 -7.361 5.743 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.649 -9.791 6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.792 -9.000 4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.778 -10.415 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.908 -10.427 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.453 -8.986 5.673 1.00 0.00 H new ATOM 501 N LYS A 36 -1.675 -7.283 4.689 1.00 0.00 N ATOM 502 CA LYS A 36 -0.651 -6.625 3.894 1.00 0.00 C ATOM 503 C LYS A 36 -0.871 -6.856 2.402 1.00 0.00 C ATOM 504 O LYS A 36 0.087 -7.156 1.684 1.00 0.00 O ATOM 505 CB LYS A 36 0.754 -7.043 4.384 1.00 0.00 C ATOM 506 CG LYS A 36 1.081 -6.610 5.818 1.00 0.00 C ATOM 507 CD LYS A 36 1.043 -5.105 6.067 1.00 0.00 C ATOM 508 CE LYS A 36 1.126 -4.901 7.576 1.00 0.00 C ATOM 509 NZ LYS A 36 0.931 -3.492 7.931 1.00 0.00 N ATOM 0 H LYS A 36 -2.121 -6.655 5.358 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.726 -5.547 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.841 -8.127 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.500 -6.621 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.376 -7.092 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.074 -6.980 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.874 -4.610 5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.126 -4.671 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.370 -5.511 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.097 -5.239 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.419 -3.289 8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.320 -2.888 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.085 -3.299 8.039 1.00 0.00 H new ATOM 523 N ARG A 37 -2.121 -6.784 1.936 1.00 0.00 N ATOM 524 CA ARG A 37 -2.460 -6.979 0.528 1.00 0.00 C ATOM 525 C ARG A 37 -2.784 -5.620 -0.070 1.00 0.00 C ATOM 526 O ARG A 37 -3.167 -4.707 0.662 1.00 0.00 O ATOM 527 CB ARG A 37 -3.644 -7.946 0.356 1.00 0.00 C ATOM 528 CG ARG A 37 -3.407 -9.341 0.958 1.00 0.00 C ATOM 529 CD ARG A 37 -4.449 -10.385 0.533 1.00 0.00 C ATOM 530 NE ARG A 37 -5.826 -9.960 0.822 1.00 0.00 N ATOM 531 CZ ARG A 37 -6.948 -10.434 0.273 1.00 0.00 C ATOM 532 NH1 ARG A 37 -6.937 -11.499 -0.524 1.00 0.00 N ATOM 533 NH2 ARG A 37 -8.087 -9.811 0.551 1.00 0.00 N ATOM 0 H ARG A 37 -2.928 -6.588 2.529 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.613 -7.429 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.528 -7.507 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.861 -8.053 -0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.417 -9.690 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.408 -9.262 2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.349 -10.579 -0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.247 -11.325 1.047 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.937 -9.223 1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.058 -11.974 -0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.808 -11.841 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.086 -8.998 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.963 -10.146 0.149 1.00 0.00 H new ATOM 547 N ALA A 38 -2.648 -5.482 -1.385 1.00 0.00 N ATOM 548 CA ALA A 38 -2.923 -4.259 -2.129 1.00 0.00 C ATOM 549 C ALA A 38 -3.905 -4.602 -3.256 1.00 0.00 C ATOM 550 O ALA A 38 -3.875 -5.717 -3.774 1.00 0.00 O ATOM 551 CB ALA A 38 -1.609 -3.698 -2.688 1.00 0.00 C ATOM 0 H ALA A 38 -2.332 -6.246 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.365 -3.498 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.812 -2.783 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.928 -3.479 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.153 -4.433 -3.351 1.00 0.00 H new ATOM 557 N GLN A 39 -4.784 -3.685 -3.658 1.00 0.00 N ATOM 558 CA GLN A 39 -5.747 -3.907 -4.740 1.00 0.00 C ATOM 559 C GLN A 39 -6.263 -2.575 -5.284 1.00 0.00 C ATOM 560 O GLN A 39 -6.056 -1.525 -4.679 1.00 0.00 O ATOM 561 CB GLN A 39 -6.877 -4.860 -4.314 1.00 0.00 C ATOM 562 CG GLN A 39 -7.554 -4.562 -2.966 1.00 0.00 C ATOM 563 CD GLN A 39 -8.642 -5.599 -2.675 1.00 0.00 C ATOM 564 OE1 GLN A 39 -8.577 -6.738 -3.113 1.00 0.00 O ATOM 565 NE2 GLN A 39 -9.717 -5.235 -2.016 1.00 0.00 N ATOM 0 H GLN A 39 -4.850 -2.757 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.231 -4.408 -5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.643 -4.850 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.474 -5.872 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.811 -4.571 -2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.990 -3.563 -2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.790 -4.289 -1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.479 -5.898 -1.877 1.00 0.00 H new ATOM 574 N TYR A 40 -6.957 -2.614 -6.422 1.00 0.00 N ATOM 575 CA TYR A 40 -7.521 -1.445 -7.098 1.00 0.00 C ATOM 576 C TYR A 40 -9.044 -1.343 -6.914 1.00 0.00 C ATOM 577 O TYR A 40 -9.708 -0.640 -7.676 1.00 0.00 O ATOM 578 CB TYR A 40 -7.144 -1.501 -8.585 1.00 0.00 C ATOM 579 CG TYR A 40 -5.663 -1.390 -8.896 1.00 0.00 C ATOM 580 CD1 TYR A 40 -5.066 -0.121 -9.022 1.00 0.00 C ATOM 581 CD2 TYR A 40 -4.905 -2.547 -9.154 1.00 0.00 C ATOM 582 CE1 TYR A 40 -3.747 -0.002 -9.496 1.00 0.00 C ATOM 583 CE2 TYR A 40 -3.584 -2.440 -9.617 1.00 0.00 C ATOM 584 CZ TYR A 40 -3.016 -1.162 -9.836 1.00 0.00 C ATOM 585 OH TYR A 40 -1.737 -1.069 -10.272 1.00 0.00 O ATOM 0 H TYR A 40 -7.148 -3.487 -6.914 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.101 -0.547 -6.646 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.513 -2.439 -8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.666 -0.697 -9.103 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.623 0.764 -8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.341 -3.522 -8.995 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.295 0.973 -9.600 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.003 -3.330 -9.806 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.125 -1.150 -9.511 1.00 0.00 H new ATOM 595 N ARG A 41 -9.633 -2.070 -5.955 1.00 0.00 N ATOM 596 CA ARG A 41 -11.077 -2.040 -5.699 1.00 0.00 C ATOM 597 C ARG A 41 -11.345 -1.510 -4.303 1.00 0.00 C ATOM 598 O ARG A 41 -10.472 -1.612 -3.445 1.00 0.00 O ATOM 599 CB ARG A 41 -11.710 -3.418 -5.931 1.00 0.00 C ATOM 600 CG ARG A 41 -11.074 -4.551 -5.109 1.00 0.00 C ATOM 601 CD ARG A 41 -11.051 -5.827 -5.948 1.00 0.00 C ATOM 602 NE ARG A 41 -10.162 -6.842 -5.378 1.00 0.00 N ATOM 603 CZ ARG A 41 -9.657 -7.898 -6.016 1.00 0.00 C ATOM 604 NH1 ARG A 41 -10.050 -8.187 -7.251 1.00 0.00 N ATOM 605 NH2 ARG A 41 -8.742 -8.642 -5.413 1.00 0.00 N ATOM 0 H ARG A 41 -9.120 -2.696 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.549 -1.360 -6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.772 -3.362 -5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.635 -3.666 -6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.061 -4.278 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.641 -4.714 -4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.061 -6.230 -6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.727 -5.589 -6.961 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.904 -6.730 -4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.742 -7.600 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.660 -8.996 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.431 -8.404 -4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.348 -9.453 -5.891 1.00 0.00 H new ATOM 619 N HIS A 42 -12.513 -0.924 -4.072 1.00 0.00 N ATOM 620 CA HIS A 42 -12.880 -0.391 -2.763 1.00 0.00 C ATOM 621 C HIS A 42 -13.127 -1.580 -1.824 1.00 0.00 C ATOM 622 O HIS A 42 -13.747 -2.550 -2.272 1.00 0.00 O ATOM 623 CB HIS A 42 -14.134 0.480 -2.903 1.00 0.00 C ATOM 624 CG HIS A 42 -14.308 1.453 -1.768 1.00 0.00 C ATOM 625 ND1 HIS A 42 -14.919 1.190 -0.540 1.00 0.00 N ATOM 626 CD2 HIS A 42 -13.943 2.765 -1.813 1.00 0.00 C ATOM 627 CE1 HIS A 42 -14.917 2.365 0.117 1.00 0.00 C ATOM 628 NE2 HIS A 42 -14.348 3.327 -0.628 1.00 0.00 N ATOM 0 H HIS A 42 -13.233 -0.804 -4.785 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.086 0.233 -2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.083 1.032 -3.842 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -15.012 -0.164 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.434 3.265 -2.623 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -15.318 2.514 1.109 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.236 4.305 -0.360 1.00 0.00 H new ATOM 636 N PRO A 43 -12.650 -1.573 -0.564 1.00 0.00 N ATOM 637 CA PRO A 43 -12.868 -2.690 0.345 1.00 0.00 C ATOM 638 C PRO A 43 -14.357 -2.748 0.681 1.00 0.00 C ATOM 639 O PRO A 43 -14.916 -1.830 1.288 1.00 0.00 O ATOM 640 CB PRO A 43 -11.967 -2.449 1.550 1.00 0.00 C ATOM 641 CG PRO A 43 -11.825 -0.935 1.578 1.00 0.00 C ATOM 642 CD PRO A 43 -11.912 -0.514 0.107 1.00 0.00 C ATOM 0 HA PRO A 43 -12.612 -3.661 -0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.413 -2.829 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.002 -2.942 1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.615 -0.473 2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.876 -0.633 2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.422 0.444 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.919 -0.395 -0.325 1.00 0.00 H new ATOM 650 N SER A 44 -14.977 -3.861 0.306 1.00 0.00 N ATOM 651 CA SER A 44 -16.388 -4.134 0.470 1.00 0.00 C ATOM 652 C SER A 44 -16.625 -5.326 1.404 1.00 0.00 C ATOM 653 O SER A 44 -17.255 -6.313 1.005 1.00 0.00 O ATOM 654 CB SER A 44 -16.941 -4.313 -0.951 1.00 0.00 C ATOM 655 OG SER A 44 -18.332 -4.081 -1.050 1.00 0.00 O ATOM 0 H SER A 44 -14.479 -4.631 -0.142 1.00 0.00 H new ATOM 0 HA SER A 44 -16.919 -3.321 0.965 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.419 -3.633 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.725 -5.326 -1.291 1.00 0.00 H new ATOM 0 HG SER A 44 -18.620 -4.210 -1.978 1.00 0.00 H new ATOM 661 N GLY A 45 -16.075 -5.311 2.623 1.00 0.00 N ATOM 662 CA GLY A 45 -16.284 -6.414 3.554 1.00 0.00 C ATOM 663 C GLY A 45 -15.427 -6.344 4.819 1.00 0.00 C ATOM 664 O GLY A 45 -14.420 -5.622 4.843 1.00 0.00 O ATOM 0 H GLY A 45 -15.490 -4.556 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.335 -6.436 3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.075 -7.352 3.040 1.00 0.00 H new ATOM 668 N PRO A 46 -15.796 -7.121 5.854 1.00 0.00 N ATOM 669 CA PRO A 46 -15.088 -7.176 7.129 1.00 0.00 C ATOM 670 C PRO A 46 -13.697 -7.793 6.971 1.00 0.00 C ATOM 671 O PRO A 46 -13.410 -8.483 5.987 1.00 0.00 O ATOM 672 CB PRO A 46 -15.977 -8.018 8.054 1.00 0.00 C ATOM 673 CG PRO A 46 -16.749 -8.908 7.087 1.00 0.00 C ATOM 674 CD PRO A 46 -16.959 -7.997 5.886 1.00 0.00 C ATOM 0 HA PRO A 46 -14.919 -6.179 7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.385 -8.606 8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.646 -7.394 8.647 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.185 -9.803 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.696 -9.242 7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.041 -8.574 4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.880 -7.423 5.985 1.00 0.00 H new ATOM 682 N SER A 47 -12.829 -7.539 7.946 1.00 0.00 N ATOM 683 CA SER A 47 -11.465 -8.038 7.964 1.00 0.00 C ATOM 684 C SER A 47 -11.459 -9.437 8.586 1.00 0.00 C ATOM 685 O SER A 47 -11.841 -9.605 9.749 1.00 0.00 O ATOM 686 CB SER A 47 -10.574 -7.069 8.754 1.00 0.00 C ATOM 687 OG SER A 47 -10.707 -5.735 8.280 1.00 0.00 O ATOM 0 H SER A 47 -13.062 -6.969 8.759 1.00 0.00 H new ATOM 0 HA SER A 47 -11.069 -8.106 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.839 -7.109 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.533 -7.383 8.674 1.00 0.00 H new ATOM 0 HG SER A 47 -10.129 -5.142 8.804 1.00 0.00 H new ATOM 693 N SER A 48 -11.118 -10.463 7.809 1.00 0.00 N ATOM 694 CA SER A 48 -11.044 -11.846 8.273 1.00 0.00 C ATOM 695 C SER A 48 -10.068 -12.626 7.389 1.00 0.00 C ATOM 696 O SER A 48 -9.201 -13.336 7.906 1.00 0.00 O ATOM 697 CB SER A 48 -12.446 -12.474 8.290 1.00 0.00 C ATOM 698 OG SER A 48 -12.611 -13.370 9.375 1.00 0.00 O ATOM 0 H SER A 48 -10.881 -10.354 6.823 1.00 0.00 H new ATOM 0 HA SER A 48 -10.668 -11.879 9.295 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.196 -11.686 8.353 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.618 -13.003 7.353 1.00 0.00 H new ATOM 0 HG SER A 48 -13.515 -13.748 9.353 1.00 0.00 H new ATOM 704 N GLY A 49 -10.166 -12.474 6.068 1.00 0.00 N ATOM 705 CA GLY A 49 -9.314 -13.135 5.103 1.00 0.00 C ATOM 706 C GLY A 49 -9.918 -12.870 3.751 1.00 0.00 C ATOM 707 O GLY A 49 -10.824 -13.629 3.355 1.00 0.00 O ATOM 0 H GLY A 49 -10.864 -11.868 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.296 -12.750 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.260 -14.205 5.301 1.00 0.00 H new TER 711 GLY A 49 ATOM 712 N GLY B 1 26.804 2.464 24.639 1.00 0.00 N ATOM 713 CA GLY B 1 27.236 2.561 23.237 1.00 0.00 C ATOM 714 C GLY B 1 26.036 2.283 22.360 1.00 0.00 C ATOM 715 O GLY B 1 25.772 1.124 22.054 1.00 0.00 O ATOM 0 H1 GLY B 1 27.613 2.651 25.265 1.00 0.00 H new ATOM 0 H2 GLY B 1 26.056 3.163 24.821 1.00 0.00 H new ATOM 0 H3 GLY B 1 26.437 1.509 24.824 1.00 0.00 H new ATOM 0 HA2 GLY B 1 27.638 3.553 23.030 1.00 0.00 H new ATOM 0 HA3 GLY B 1 28.032 1.845 23.033 1.00 0.00 H new ATOM 719 N SER B 2 25.302 3.328 21.988 1.00 0.00 N ATOM 720 CA SER B 2 24.106 3.229 21.172 1.00 0.00 C ATOM 721 C SER B 2 24.383 2.865 19.718 1.00 0.00 C ATOM 722 O SER B 2 25.514 2.946 19.240 1.00 0.00 O ATOM 723 CB SER B 2 23.394 4.583 21.229 1.00 0.00 C ATOM 724 OG SER B 2 23.083 4.898 22.574 1.00 0.00 O ATOM 0 H SER B 2 25.531 4.286 22.254 1.00 0.00 H new ATOM 0 HA SER B 2 23.494 2.421 21.573 1.00 0.00 H new ATOM 0 HB2 SER B 2 24.029 5.358 20.801 1.00 0.00 H new ATOM 0 HB3 SER B 2 22.483 4.552 20.632 1.00 0.00 H new ATOM 0 HG SER B 2 22.629 5.766 22.610 1.00 0.00 H new ATOM 730 N SER B 3 23.297 2.540 19.029 1.00 0.00 N ATOM 731 CA SER B 3 23.204 2.166 17.635 1.00 0.00 C ATOM 732 C SER B 3 22.118 3.046 17.005 1.00 0.00 C ATOM 733 O SER B 3 21.429 3.807 17.706 1.00 0.00 O ATOM 734 CB SER B 3 22.915 0.659 17.549 1.00 0.00 C ATOM 735 OG SER B 3 21.932 0.252 18.486 1.00 0.00 O ATOM 0 H SER B 3 22.381 2.533 19.477 1.00 0.00 H new ATOM 0 HA SER B 3 24.129 2.331 17.082 1.00 0.00 H new ATOM 0 HB2 SER B 3 22.580 0.411 16.542 1.00 0.00 H new ATOM 0 HB3 SER B 3 23.836 0.103 17.725 1.00 0.00 H new ATOM 0 HG SER B 3 21.776 -0.711 18.398 1.00 0.00 H new ATOM 741 N GLY B 4 21.956 2.959 15.687 1.00 0.00 N ATOM 742 CA GLY B 4 20.982 3.741 14.942 1.00 0.00 C ATOM 743 C GLY B 4 21.423 5.196 14.804 1.00 0.00 C ATOM 744 O GLY B 4 22.348 5.658 15.489 1.00 0.00 O ATOM 0 H GLY B 4 22.508 2.333 15.101 1.00 0.00 H new ATOM 0 HA2 GLY B 4 20.844 3.306 13.952 1.00 0.00 H new ATOM 0 HA3 GLY B 4 20.017 3.698 15.446 1.00 0.00 H new ATOM 748 N SER B 5 20.769 5.909 13.898 1.00 0.00 N ATOM 749 CA SER B 5 20.997 7.312 13.581 1.00 0.00 C ATOM 750 C SER B 5 19.923 7.767 12.590 1.00 0.00 C ATOM 751 O SER B 5 19.169 6.941 12.065 1.00 0.00 O ATOM 752 CB SER B 5 22.430 7.529 13.054 1.00 0.00 C ATOM 753 OG SER B 5 22.844 6.488 12.186 1.00 0.00 O ATOM 0 H SER B 5 20.024 5.502 13.333 1.00 0.00 H new ATOM 0 HA SER B 5 20.914 7.924 14.479 1.00 0.00 H new ATOM 0 HB2 SER B 5 22.481 8.482 12.527 1.00 0.00 H new ATOM 0 HB3 SER B 5 23.119 7.594 13.896 1.00 0.00 H new ATOM 0 HG SER B 5 23.756 6.665 11.874 1.00 0.00 H new ATOM 759 N SER B 6 19.833 9.070 12.344 1.00 0.00 N ATOM 760 CA SER B 6 18.882 9.665 11.428 1.00 0.00 C ATOM 761 C SER B 6 19.572 10.884 10.826 1.00 0.00 C ATOM 762 O SER B 6 20.248 11.633 11.540 1.00 0.00 O ATOM 763 CB SER B 6 17.615 10.032 12.216 1.00 0.00 C ATOM 764 OG SER B 6 16.533 10.371 11.371 1.00 0.00 O ATOM 0 H SER B 6 20.440 9.756 12.792 1.00 0.00 H new ATOM 0 HA SER B 6 18.577 8.994 10.625 1.00 0.00 H new ATOM 0 HB2 SER B 6 17.328 9.192 12.849 1.00 0.00 H new ATOM 0 HB3 SER B 6 17.832 10.871 12.878 1.00 0.00 H new ATOM 0 HG SER B 6 15.750 10.595 11.916 1.00 0.00 H new ATOM 770 N GLY B 7 19.463 11.056 9.512 1.00 0.00 N ATOM 771 CA GLY B 7 20.044 12.170 8.787 1.00 0.00 C ATOM 772 C GLY B 7 19.070 13.353 8.789 1.00 0.00 C ATOM 773 O GLY B 7 17.912 13.211 9.189 1.00 0.00 O ATOM 0 H GLY B 7 18.955 10.406 8.912 1.00 0.00 H new ATOM 0 HA2 GLY B 7 20.988 12.463 9.247 1.00 0.00 H new ATOM 0 HA3 GLY B 7 20.268 11.872 7.762 1.00 0.00 H new ATOM 777 N PRO B 8 19.502 14.545 8.355 1.00 0.00 N ATOM 778 CA PRO B 8 18.640 15.722 8.304 1.00 0.00 C ATOM 779 C PRO B 8 17.637 15.631 7.151 1.00 0.00 C ATOM 780 O PRO B 8 16.546 16.194 7.215 1.00 0.00 O ATOM 781 CB PRO B 8 19.591 16.897 8.056 1.00 0.00 C ATOM 782 CG PRO B 8 20.819 16.279 7.383 1.00 0.00 C ATOM 783 CD PRO B 8 20.838 14.833 7.872 1.00 0.00 C ATOM 0 HA PRO B 8 18.060 15.825 9.221 1.00 0.00 H new ATOM 0 HB2 PRO B 8 19.129 17.651 7.418 1.00 0.00 H new ATOM 0 HB3 PRO B 8 19.860 17.391 8.990 1.00 0.00 H new ATOM 0 HG2 PRO B 8 20.743 16.329 6.297 1.00 0.00 H new ATOM 0 HG3 PRO B 8 21.732 16.805 7.664 1.00 0.00 H new ATOM 0 HD2 PRO B 8 21.114 14.154 7.065 1.00 0.00 H new ATOM 0 HD3 PRO B 8 21.574 14.701 8.665 1.00 0.00 H new ATOM 791 N LEU B 9 18.052 14.969 6.076 1.00 0.00 N ATOM 792 CA LEU B 9 17.366 14.725 4.820 1.00 0.00 C ATOM 793 C LEU B 9 18.219 13.720 4.047 1.00 0.00 C ATOM 794 O LEU B 9 19.342 13.420 4.466 1.00 0.00 O ATOM 795 CB LEU B 9 17.231 16.044 4.028 1.00 0.00 C ATOM 796 CG LEU B 9 18.561 16.816 3.837 1.00 0.00 C ATOM 797 CD1 LEU B 9 19.318 16.452 2.555 1.00 0.00 C ATOM 798 CD2 LEU B 9 18.308 18.320 3.885 1.00 0.00 C ATOM 0 H LEU B 9 18.980 14.545 6.067 1.00 0.00 H new ATOM 0 HA LEU B 9 16.361 14.337 4.984 1.00 0.00 H new ATOM 0 HB2 LEU B 9 16.809 15.823 3.047 1.00 0.00 H new ATOM 0 HB3 LEU B 9 16.520 16.691 4.542 1.00 0.00 H new ATOM 0 HG LEU B 9 19.204 16.513 4.664 1.00 0.00 H new ATOM 0 HD11 LEU B 9 20.237 17.036 2.497 1.00 0.00 H new ATOM 0 HD12 LEU B 9 19.563 15.390 2.566 1.00 0.00 H new ATOM 0 HD13 LEU B 9 18.693 16.671 1.689 1.00 0.00 H new ATOM 0 HD21 LEU B 9 19.250 18.852 3.750 1.00 0.00 H new ATOM 0 HD22 LEU B 9 17.617 18.598 3.090 1.00 0.00 H new ATOM 0 HD23 LEU B 9 17.877 18.586 4.850 1.00 0.00 H new ATOM 810 N GLU B 10 17.736 13.236 2.905 1.00 0.00 N ATOM 811 CA GLU B 10 18.440 12.284 2.052 1.00 0.00 C ATOM 812 C GLU B 10 18.093 12.508 0.577 1.00 0.00 C ATOM 813 O GLU B 10 17.289 13.380 0.227 1.00 0.00 O ATOM 814 CB GLU B 10 18.107 10.842 2.480 1.00 0.00 C ATOM 815 CG GLU B 10 19.004 10.316 3.604 1.00 0.00 C ATOM 816 CD GLU B 10 18.328 10.212 4.970 1.00 0.00 C ATOM 817 OE1 GLU B 10 17.097 9.997 5.047 1.00 0.00 O ATOM 818 OE2 GLU B 10 19.055 10.205 5.983 1.00 0.00 O ATOM 0 H GLU B 10 16.822 13.502 2.539 1.00 0.00 H new ATOM 0 HA GLU B 10 19.512 12.443 2.169 1.00 0.00 H new ATOM 0 HB2 GLU B 10 17.068 10.799 2.805 1.00 0.00 H new ATOM 0 HB3 GLU B 10 18.198 10.185 1.615 1.00 0.00 H new ATOM 0 HG2 GLU B 10 19.375 9.331 3.322 1.00 0.00 H new ATOM 0 HG3 GLU B 10 19.872 10.970 3.693 1.00 0.00 H new ATOM 825 N ARG B 11 18.708 11.695 -0.281 1.00 0.00 N ATOM 826 CA ARG B 11 18.577 11.659 -1.733 1.00 0.00 C ATOM 827 C ARG B 11 18.219 10.245 -2.210 1.00 0.00 C ATOM 828 O ARG B 11 18.450 9.913 -3.372 1.00 0.00 O ATOM 829 CB ARG B 11 19.879 12.184 -2.365 1.00 0.00 C ATOM 830 CG ARG B 11 21.129 11.372 -1.965 1.00 0.00 C ATOM 831 CD ARG B 11 22.400 11.945 -2.595 1.00 0.00 C ATOM 832 NE ARG B 11 22.431 11.750 -4.054 1.00 0.00 N ATOM 833 CZ ARG B 11 23.016 12.539 -4.959 1.00 0.00 C ATOM 834 NH1 ARG B 11 23.704 13.612 -4.578 1.00 0.00 N ATOM 835 NH2 ARG B 11 22.920 12.248 -6.251 1.00 0.00 N ATOM 0 H ARG B 11 19.364 10.988 0.051 1.00 0.00 H new ATOM 0 HA ARG B 11 17.760 12.306 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG B 11 19.778 12.170 -3.450 1.00 0.00 H new ATOM 0 HB3 ARG B 11 20.022 13.224 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG B 11 21.230 11.370 -0.880 1.00 0.00 H new ATOM 0 HG3 ARG B 11 21.004 10.335 -2.276 1.00 0.00 H new ATOM 0 HD2 ARG B 11 22.467 13.009 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG B 11 23.272 11.469 -2.147 1.00 0.00 H new ATOM 0 HE ARG B 11 21.954 10.923 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG B 11 23.788 13.838 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG B 11 24.147 14.208 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG B 11 22.400 11.423 -6.551 1.00 0.00 H new ATOM 0 HH22 ARG B 11 23.366 12.849 -6.944 1.00 0.00 H new ATOM 849 N GLU B 12 17.745 9.375 -1.319 1.00 0.00 N ATOM 850 CA GLU B 12 17.389 8.004 -1.665 1.00 0.00 C ATOM 851 C GLU B 12 16.047 7.958 -2.400 1.00 0.00 C ATOM 852 O GLU B 12 15.368 8.981 -2.551 1.00 0.00 O ATOM 853 CB GLU B 12 17.401 7.130 -0.401 1.00 0.00 C ATOM 854 CG GLU B 12 18.763 7.132 0.319 1.00 0.00 C ATOM 855 CD GLU B 12 19.942 6.919 -0.632 1.00 0.00 C ATOM 856 OE1 GLU B 12 19.893 5.948 -1.426 1.00 0.00 O ATOM 857 OE2 GLU B 12 20.884 7.738 -0.609 1.00 0.00 O ATOM 0 H GLU B 12 17.598 9.604 -0.336 1.00 0.00 H new ATOM 0 HA GLU B 12 18.131 7.599 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU B 12 16.632 7.484 0.286 1.00 0.00 H new ATOM 0 HB3 GLU B 12 17.140 6.107 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU B 12 18.891 8.081 0.840 1.00 0.00 H new ATOM 0 HG3 GLU B 12 18.768 6.348 1.077 1.00 0.00 H new ATOM 864 N GLY B 13 15.661 6.782 -2.886 1.00 0.00 N ATOM 865 CA GLY B 13 14.427 6.562 -3.620 1.00 0.00 C ATOM 866 C GLY B 13 14.030 5.095 -3.553 1.00 0.00 C ATOM 867 O GLY B 13 14.507 4.349 -2.692 1.00 0.00 O ATOM 0 H GLY B 13 16.217 5.934 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY B 13 13.632 7.181 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY B 13 14.555 6.865 -4.659 1.00 0.00 H new ATOM 871 N LEU B 14 13.123 4.692 -4.438 1.00 0.00 N ATOM 872 CA LEU B 14 12.594 3.340 -4.555 1.00 0.00 C ATOM 873 C LEU B 14 12.668 2.881 -6.008 1.00 0.00 C ATOM 874 O LEU B 14 12.656 3.723 -6.913 1.00 0.00 O ATOM 875 CB LEU B 14 11.121 3.322 -4.116 1.00 0.00 C ATOM 876 CG LEU B 14 10.931 3.379 -2.596 1.00 0.00 C ATOM 877 CD1 LEU B 14 9.466 3.654 -2.279 1.00 0.00 C ATOM 878 CD2 LEU B 14 11.302 2.049 -1.934 1.00 0.00 C ATOM 0 H LEU B 14 12.719 5.330 -5.124 1.00 0.00 H new ATOM 0 HA LEU B 14 13.183 2.676 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU B 14 10.605 4.168 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU B 14 10.648 2.418 -4.499 1.00 0.00 H new ATOM 0 HG LEU B 14 11.579 4.168 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU B 14 9.329 3.695 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU B 14 9.171 4.607 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU B 14 8.848 2.857 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU B 14 11.155 2.125 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU B 14 10.669 1.256 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU B 14 12.347 1.818 -2.142 1.00 0.00 H new ATOM 890 N PRO B 15 12.700 1.560 -6.252 1.00 0.00 N ATOM 891 CA PRO B 15 12.757 1.033 -7.604 1.00 0.00 C ATOM 892 C PRO B 15 11.491 1.397 -8.402 1.00 0.00 C ATOM 893 O PRO B 15 10.452 1.723 -7.814 1.00 0.00 O ATOM 894 CB PRO B 15 12.967 -0.477 -7.471 1.00 0.00 C ATOM 895 CG PRO B 15 12.572 -0.809 -6.038 1.00 0.00 C ATOM 896 CD PRO B 15 12.727 0.493 -5.264 1.00 0.00 C ATOM 0 HA PRO B 15 13.578 1.472 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO B 15 12.353 -1.025 -8.186 1.00 0.00 H new ATOM 0 HB3 PRO B 15 14.004 -0.749 -7.667 1.00 0.00 H new ATOM 0 HG2 PRO B 15 11.547 -1.176 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO B 15 13.211 -1.590 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO B 15 11.921 0.613 -4.540 1.00 0.00 H new ATOM 0 HD3 PRO B 15 13.663 0.504 -4.705 1.00 0.00 H new ATOM 904 N PRO B 16 11.567 1.343 -9.741 1.00 0.00 N ATOM 905 CA PRO B 16 10.473 1.669 -10.643 1.00 0.00 C ATOM 906 C PRO B 16 9.378 0.600 -10.553 1.00 0.00 C ATOM 907 O PRO B 16 9.395 -0.390 -11.287 1.00 0.00 O ATOM 908 CB PRO B 16 11.131 1.794 -12.025 1.00 0.00 C ATOM 909 CG PRO B 16 12.310 0.827 -11.941 1.00 0.00 C ATOM 910 CD PRO B 16 12.753 0.961 -10.493 1.00 0.00 C ATOM 0 HA PRO B 16 9.958 2.598 -10.398 1.00 0.00 H new ATOM 0 HB2 PRO B 16 10.443 1.521 -12.825 1.00 0.00 H new ATOM 0 HB3 PRO B 16 11.461 2.814 -12.223 1.00 0.00 H new ATOM 0 HG2 PRO B 16 12.013 -0.194 -12.180 1.00 0.00 H new ATOM 0 HG3 PRO B 16 13.106 1.099 -12.634 1.00 0.00 H new ATOM 0 HD2 PRO B 16 13.163 0.022 -10.123 1.00 0.00 H new ATOM 0 HD3 PRO B 16 13.536 1.712 -10.393 1.00 0.00 H new ATOM 918 N GLY B 17 8.413 0.820 -9.663 1.00 0.00 N ATOM 919 CA GLY B 17 7.284 -0.066 -9.402 1.00 0.00 C ATOM 920 C GLY B 17 6.989 -0.182 -7.905 1.00 0.00 C ATOM 921 O GLY B 17 6.046 -0.873 -7.516 1.00 0.00 O ATOM 0 H GLY B 17 8.397 1.657 -9.080 1.00 0.00 H new ATOM 0 HA2 GLY B 17 6.401 0.309 -9.919 1.00 0.00 H new ATOM 0 HA3 GLY B 17 7.496 -1.055 -9.809 1.00 0.00 H new ATOM 925 N TRP B 18 7.793 0.447 -7.048 1.00 0.00 N ATOM 926 CA TRP B 18 7.612 0.440 -5.606 1.00 0.00 C ATOM 927 C TRP B 18 7.192 1.831 -5.175 1.00 0.00 C ATOM 928 O TRP B 18 7.501 2.821 -5.842 1.00 0.00 O ATOM 929 CB TRP B 18 8.902 0.020 -4.916 1.00 0.00 C ATOM 930 CG TRP B 18 8.982 -1.439 -4.640 1.00 0.00 C ATOM 931 CD1 TRP B 18 9.441 -2.389 -5.478 1.00 0.00 C ATOM 932 CD2 TRP B 18 8.570 -2.135 -3.435 1.00 0.00 C ATOM 933 NE1 TRP B 18 9.456 -3.605 -4.830 1.00 0.00 N ATOM 934 CE2 TRP B 18 8.939 -3.505 -3.556 1.00 0.00 C ATOM 935 CE3 TRP B 18 7.939 -1.730 -2.243 1.00 0.00 C ATOM 936 CZ2 TRP B 18 8.767 -4.413 -2.501 1.00 0.00 C ATOM 937 CZ3 TRP B 18 7.716 -2.641 -1.200 1.00 0.00 C ATOM 938 CH2 TRP B 18 8.177 -3.962 -1.308 1.00 0.00 C ATOM 0 H TRP B 18 8.605 0.986 -7.349 1.00 0.00 H new ATOM 0 HA TRP B 18 6.841 -0.277 -5.324 1.00 0.00 H new ATOM 0 HB2 TRP B 18 9.748 0.310 -5.539 1.00 0.00 H new ATOM 0 HB3 TRP B 18 8.996 0.565 -3.976 1.00 0.00 H new ATOM 0 HD1 TRP B 18 9.749 -2.223 -6.500 1.00 0.00 H new ATOM 0 HE1 TRP B 18 9.806 -4.470 -5.241 1.00 0.00 H new ATOM 0 HE3 TRP B 18 7.622 -0.704 -2.130 1.00 0.00 H new ATOM 0 HZ2 TRP B 18 9.082 -5.441 -2.604 1.00 0.00 H new ATOM 0 HZ3 TRP B 18 7.188 -2.325 -0.312 1.00 0.00 H new ATOM 0 HH2 TRP B 18 8.078 -4.636 -0.470 1.00 0.00 H new ATOM 949 N GLU B 19 6.533 1.914 -4.023 1.00 0.00 N ATOM 950 CA GLU B 19 6.047 3.173 -3.493 1.00 0.00 C ATOM 951 C GLU B 19 6.050 3.139 -1.966 1.00 0.00 C ATOM 952 O GLU B 19 6.045 2.064 -1.356 1.00 0.00 O ATOM 953 CB GLU B 19 4.611 3.315 -4.013 1.00 0.00 C ATOM 954 CG GLU B 19 3.946 4.665 -3.766 1.00 0.00 C ATOM 955 CD GLU B 19 4.351 5.760 -4.745 1.00 0.00 C ATOM 956 OE1 GLU B 19 5.562 5.923 -5.009 1.00 0.00 O ATOM 957 OE2 GLU B 19 3.448 6.486 -5.223 1.00 0.00 O ATOM 0 H GLU B 19 6.324 1.108 -3.435 1.00 0.00 H new ATOM 0 HA GLU B 19 6.674 4.009 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.613 3.123 -5.086 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.999 2.540 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU B 19 2.865 4.536 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.185 4.993 -2.755 1.00 0.00 H new ATOM 964 N ARG B 20 6.061 4.319 -1.350 1.00 0.00 N ATOM 965 CA ARG B 20 6.032 4.527 0.086 1.00 0.00 C ATOM 966 C ARG B 20 4.686 5.161 0.416 1.00 0.00 C ATOM 967 O ARG B 20 4.176 5.975 -0.355 1.00 0.00 O ATOM 968 CB ARG B 20 7.185 5.456 0.478 1.00 0.00 C ATOM 969 CG ARG B 20 7.359 5.555 1.999 1.00 0.00 C ATOM 970 CD ARG B 20 8.589 6.395 2.329 1.00 0.00 C ATOM 971 NE ARG B 20 8.415 7.796 1.936 1.00 0.00 N ATOM 972 CZ ARG B 20 9.382 8.709 1.900 1.00 0.00 C ATOM 973 NH1 ARG B 20 10.599 8.424 2.342 1.00 0.00 N ATOM 974 NH2 ARG B 20 9.126 9.901 1.381 1.00 0.00 N ATOM 0 H ARG B 20 6.092 5.196 -1.870 1.00 0.00 H new ATOM 0 HA ARG B 20 6.149 3.593 0.635 1.00 0.00 H new ATOM 0 HB2 ARG B 20 8.110 5.092 0.031 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.003 6.450 0.069 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.472 6.003 2.447 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.463 4.558 2.427 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.790 6.340 3.399 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.459 5.980 1.820 1.00 0.00 H new ATOM 0 HE ARG B 20 7.477 8.095 1.669 1.00 0.00 H new ATOM 0 HH11 ARG B 20 10.802 7.496 2.715 1.00 0.00 H new ATOM 0 HH12 ARG B 20 11.332 9.132 2.309 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.197 10.109 1.015 1.00 0.00 H new ATOM 0 HH22 ARG B 20 9.858 10.610 1.347 1.00 0.00 H new ATOM 988 N VAL B 21 4.129 4.814 1.567 1.00 0.00 N ATOM 989 CA VAL B 21 2.861 5.323 2.055 1.00 0.00 C ATOM 990 C VAL B 21 3.127 5.919 3.434 1.00 0.00 C ATOM 991 O VAL B 21 3.596 5.219 4.341 1.00 0.00 O ATOM 992 CB VAL B 21 1.805 4.201 2.072 1.00 0.00 C ATOM 993 CG1 VAL B 21 0.498 4.709 2.695 1.00 0.00 C ATOM 994 CG2 VAL B 21 1.530 3.664 0.658 1.00 0.00 C ATOM 0 H VAL B 21 4.564 4.148 2.206 1.00 0.00 H new ATOM 0 HA VAL B 21 2.453 6.097 1.405 1.00 0.00 H new ATOM 0 HB VAL B 21 2.202 3.385 2.675 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -0.239 3.906 2.700 1.00 0.00 H new ATOM 0 HG12 VAL B 21 0.686 5.036 3.718 1.00 0.00 H new ATOM 0 HG13 VAL B 21 0.118 5.546 2.110 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.780 2.874 0.708 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.163 4.473 0.027 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.451 3.263 0.235 1.00 0.00 H new ATOM 1004 N GLU B 22 2.882 7.218 3.588 1.00 0.00 N ATOM 1005 CA GLU B 22 3.059 7.958 4.828 1.00 0.00 C ATOM 1006 C GLU B 22 1.667 8.326 5.340 1.00 0.00 C ATOM 1007 O GLU B 22 0.834 8.818 4.579 1.00 0.00 O ATOM 1008 CB GLU B 22 4.045 9.122 4.668 1.00 0.00 C ATOM 1009 CG GLU B 22 3.757 10.169 3.584 1.00 0.00 C ATOM 1010 CD GLU B 22 4.941 11.138 3.431 1.00 0.00 C ATOM 1011 OE1 GLU B 22 5.541 11.545 4.461 1.00 0.00 O ATOM 1012 OE2 GLU B 22 5.283 11.474 2.274 1.00 0.00 O ATOM 0 H GLU B 22 2.543 7.802 2.824 1.00 0.00 H new ATOM 0 HA GLU B 22 3.540 7.352 5.595 1.00 0.00 H new ATOM 0 HB2 GLU B 22 4.107 9.641 5.625 1.00 0.00 H new ATOM 0 HB3 GLU B 22 5.030 8.700 4.470 1.00 0.00 H new ATOM 0 HG2 GLU B 22 3.564 9.671 2.634 1.00 0.00 H new ATOM 0 HG3 GLU B 22 2.856 10.726 3.841 1.00 0.00 H new ATOM 1019 N SER B 23 1.410 8.053 6.622 1.00 0.00 N ATOM 1020 CA SER B 23 0.135 8.284 7.278 1.00 0.00 C ATOM 1021 C SER B 23 0.324 8.466 8.781 1.00 0.00 C ATOM 1022 O SER B 23 1.214 7.829 9.343 1.00 0.00 O ATOM 1023 CB SER B 23 -0.658 6.985 7.070 1.00 0.00 C ATOM 1024 OG SER B 23 -2.040 7.161 7.256 1.00 0.00 O ATOM 0 H SER B 23 2.111 7.652 7.246 1.00 0.00 H new ATOM 0 HA SER B 23 -0.353 9.173 6.878 1.00 0.00 H new ATOM 0 HB2 SER B 23 -0.475 6.609 6.063 1.00 0.00 H new ATOM 0 HB3 SER B 23 -0.295 6.227 7.764 1.00 0.00 H new ATOM 0 HG SER B 23 -2.509 6.333 7.023 1.00 0.00 H new ATOM 1030 N SER B 24 -0.506 9.261 9.455 1.00 0.00 N ATOM 1031 CA SER B 24 -0.397 9.442 10.902 1.00 0.00 C ATOM 1032 C SER B 24 -0.954 8.223 11.646 1.00 0.00 C ATOM 1033 O SER B 24 -0.559 7.967 12.784 1.00 0.00 O ATOM 1034 CB SER B 24 -1.173 10.688 11.335 1.00 0.00 C ATOM 1035 OG SER B 24 -0.459 11.844 10.946 1.00 0.00 O ATOM 0 H SER B 24 -1.262 9.791 9.022 1.00 0.00 H new ATOM 0 HA SER B 24 0.658 9.559 11.149 1.00 0.00 H new ATOM 0 HB2 SER B 24 -2.164 10.689 10.881 1.00 0.00 H new ATOM 0 HB3 SER B 24 -1.318 10.683 12.415 1.00 0.00 H new ATOM 0 HG SER B 24 -0.955 12.643 11.221 1.00 0.00 H new ATOM 1041 N GLU B 25 -1.841 7.447 11.018 1.00 0.00 N ATOM 1042 CA GLU B 25 -2.449 6.276 11.640 1.00 0.00 C ATOM 1043 C GLU B 25 -1.557 5.041 11.595 1.00 0.00 C ATOM 1044 O GLU B 25 -1.714 4.147 12.425 1.00 0.00 O ATOM 1045 CB GLU B 25 -3.772 5.991 10.910 1.00 0.00 C ATOM 1046 CG GLU B 25 -4.685 4.913 11.523 1.00 0.00 C ATOM 1047 CD GLU B 25 -5.258 5.243 12.908 1.00 0.00 C ATOM 1048 OE1 GLU B 25 -4.683 6.046 13.673 1.00 0.00 O ATOM 1049 OE2 GLU B 25 -6.303 4.654 13.268 1.00 0.00 O ATOM 0 H GLU B 25 -2.156 7.616 10.063 1.00 0.00 H new ATOM 0 HA GLU B 25 -2.610 6.495 12.696 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.336 6.922 10.853 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.539 5.697 9.887 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.515 4.732 10.839 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -4.122 3.982 11.594 1.00 0.00 H new ATOM 1056 N PHE B 26 -0.610 4.996 10.657 1.00 0.00 N ATOM 1057 CA PHE B 26 0.279 3.848 10.493 1.00 0.00 C ATOM 1058 C PHE B 26 1.751 4.219 10.651 1.00 0.00 C ATOM 1059 O PHE B 26 2.479 3.514 11.348 1.00 0.00 O ATOM 1060 CB PHE B 26 -0.057 3.159 9.167 1.00 0.00 C ATOM 1061 CG PHE B 26 -1.534 2.801 9.054 1.00 0.00 C ATOM 1062 CD1 PHE B 26 -2.055 1.695 9.750 1.00 0.00 C ATOM 1063 CD2 PHE B 26 -2.403 3.587 8.275 1.00 0.00 C ATOM 1064 CE1 PHE B 26 -3.420 1.370 9.661 1.00 0.00 C ATOM 1065 CE2 PHE B 26 -3.767 3.258 8.177 1.00 0.00 C ATOM 1066 CZ PHE B 26 -4.279 2.146 8.867 1.00 0.00 C ATOM 0 H PHE B 26 -0.439 5.751 9.993 1.00 0.00 H new ATOM 0 HA PHE B 26 0.110 3.132 11.297 1.00 0.00 H new ATOM 0 HB2 PHE B 26 0.219 3.814 8.341 1.00 0.00 H new ATOM 0 HB3 PHE B 26 0.542 2.253 9.070 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -1.400 1.090 10.359 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -2.020 4.449 7.749 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -3.808 0.522 10.205 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -4.424 3.863 7.569 1.00 0.00 H new ATOM 0 HZ PHE B 26 -5.325 1.890 8.787 1.00 0.00 H new ATOM 1076 N GLY B 27 2.209 5.322 10.065 1.00 0.00 N ATOM 1077 CA GLY B 27 3.575 5.803 10.155 1.00 0.00 C ATOM 1078 C GLY B 27 4.108 5.937 8.748 1.00 0.00 C ATOM 1079 O GLY B 27 3.592 6.727 7.953 1.00 0.00 O ATOM 0 H GLY B 27 1.614 5.923 9.495 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.609 6.763 10.670 1.00 0.00 H new ATOM 0 HA3 GLY B 27 4.187 5.110 10.732 1.00 0.00 H new ATOM 1083 N THR B 28 5.084 5.113 8.408 1.00 0.00 N ATOM 1084 CA THR B 28 5.717 5.106 7.099 1.00 0.00 C ATOM 1085 C THR B 28 5.982 3.656 6.710 1.00 0.00 C ATOM 1086 O THR B 28 6.772 2.974 7.372 1.00 0.00 O ATOM 1087 CB THR B 28 7.012 5.942 7.119 1.00 0.00 C ATOM 1088 OG1 THR B 28 6.810 7.175 7.788 1.00 0.00 O ATOM 1089 CG2 THR B 28 7.459 6.225 5.683 1.00 0.00 C ATOM 0 H THR B 28 5.467 4.416 9.047 1.00 0.00 H new ATOM 0 HA THR B 28 5.063 5.562 6.356 1.00 0.00 H new ATOM 0 HB THR B 28 7.776 5.374 7.650 1.00 0.00 H new ATOM 0 HG1 THR B 28 7.646 7.687 7.789 1.00 0.00 H new ATOM 0 HG21 THR B 28 8.375 6.816 5.697 1.00 0.00 H new ATOM 0 HG22 THR B 28 7.643 5.283 5.167 1.00 0.00 H new ATOM 0 HG23 THR B 28 6.678 6.778 5.161 1.00 0.00 H new ATOM 1097 N TYR B 29 5.282 3.152 5.695 1.00 0.00 N ATOM 1098 CA TYR B 29 5.443 1.789 5.203 1.00 0.00 C ATOM 1099 C TYR B 29 5.577 1.840 3.676 1.00 0.00 C ATOM 1100 O TYR B 29 5.550 2.926 3.096 1.00 0.00 O ATOM 1101 CB TYR B 29 4.325 0.888 5.755 1.00 0.00 C ATOM 1102 CG TYR B 29 2.967 1.063 5.114 1.00 0.00 C ATOM 1103 CD1 TYR B 29 2.635 0.294 3.987 1.00 0.00 C ATOM 1104 CD2 TYR B 29 2.031 1.970 5.645 1.00 0.00 C ATOM 1105 CE1 TYR B 29 1.382 0.448 3.383 1.00 0.00 C ATOM 1106 CE2 TYR B 29 0.778 2.148 5.027 1.00 0.00 C ATOM 1107 CZ TYR B 29 0.452 1.379 3.883 1.00 0.00 C ATOM 1108 OH TYR B 29 -0.737 1.494 3.238 1.00 0.00 O ATOM 0 H TYR B 29 4.579 3.687 5.186 1.00 0.00 H new ATOM 0 HA TYR B 29 6.358 1.322 5.568 1.00 0.00 H new ATOM 0 HB2 TYR B 29 4.630 -0.152 5.638 1.00 0.00 H new ATOM 0 HB3 TYR B 29 4.228 1.074 6.825 1.00 0.00 H new ATOM 0 HD1 TYR B 29 3.345 -0.415 3.587 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.275 2.534 6.533 1.00 0.00 H new ATOM 0 HE1 TYR B 29 1.126 -0.154 2.524 1.00 0.00 H new ATOM 0 HE2 TYR B 29 0.072 2.864 5.422 1.00 0.00 H new ATOM 0 HH TYR B 29 -1.288 2.170 3.685 1.00 0.00 H new ATOM 1118 N TYR B 30 5.734 0.695 3.013 1.00 0.00 N ATOM 1119 CA TYR B 30 5.900 0.609 1.567 1.00 0.00 C ATOM 1120 C TYR B 30 4.967 -0.436 0.962 1.00 0.00 C ATOM 1121 O TYR B 30 4.573 -1.397 1.638 1.00 0.00 O ATOM 1122 CB TYR B 30 7.355 0.231 1.269 1.00 0.00 C ATOM 1123 CG TYR B 30 8.419 1.066 1.961 1.00 0.00 C ATOM 1124 CD1 TYR B 30 8.900 0.681 3.227 1.00 0.00 C ATOM 1125 CD2 TYR B 30 8.939 2.214 1.338 1.00 0.00 C ATOM 1126 CE1 TYR B 30 9.906 1.428 3.860 1.00 0.00 C ATOM 1127 CE2 TYR B 30 9.969 2.952 1.950 1.00 0.00 C ATOM 1128 CZ TYR B 30 10.460 2.557 3.215 1.00 0.00 C ATOM 1129 OH TYR B 30 11.464 3.260 3.805 1.00 0.00 O ATOM 0 H TYR B 30 5.749 -0.214 3.476 1.00 0.00 H new ATOM 0 HA TYR B 30 5.652 1.574 1.124 1.00 0.00 H new ATOM 0 HB2 TYR B 30 7.502 -0.812 1.549 1.00 0.00 H new ATOM 0 HB3 TYR B 30 7.513 0.298 0.193 1.00 0.00 H new ATOM 0 HD1 TYR B 30 8.493 -0.193 3.713 1.00 0.00 H new ATOM 0 HD2 TYR B 30 8.545 2.531 0.384 1.00 0.00 H new ATOM 0 HE1 TYR B 30 10.257 1.140 4.840 1.00 0.00 H new ATOM 0 HE2 TYR B 30 10.383 3.818 1.454 1.00 0.00 H new ATOM 0 HH TYR B 30 11.727 4.004 3.224 1.00 0.00 H new ATOM 1139 N VAL B 31 4.655 -0.278 -0.325 1.00 0.00 N ATOM 1140 CA VAL B 31 3.783 -1.169 -1.087 1.00 0.00 C ATOM 1141 C VAL B 31 4.459 -1.528 -2.409 1.00 0.00 C ATOM 1142 O VAL B 31 5.056 -0.677 -3.075 1.00 0.00 O ATOM 1143 CB VAL B 31 2.403 -0.521 -1.335 1.00 0.00 C ATOM 1144 CG1 VAL B 31 1.431 -1.477 -2.057 1.00 0.00 C ATOM 1145 CG2 VAL B 31 1.704 -0.085 -0.047 1.00 0.00 C ATOM 0 H VAL B 31 5.014 0.498 -0.882 1.00 0.00 H new ATOM 0 HA VAL B 31 3.616 -2.078 -0.510 1.00 0.00 H new ATOM 0 HB VAL B 31 2.627 0.349 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.475 -0.977 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.850 -1.761 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.281 -2.370 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.740 0.362 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL B 31 1.550 -0.952 0.595 1.00 0.00 H new ATOM 0 HG23 VAL B 31 2.323 0.646 0.473 1.00 0.00 H new ATOM 1155 N ASP B 32 4.335 -2.802 -2.774 1.00 0.00 N ATOM 1156 CA ASP B 32 4.870 -3.412 -3.983 1.00 0.00 C ATOM 1157 C ASP B 32 3.738 -3.679 -4.950 1.00 0.00 C ATOM 1158 O ASP B 32 2.829 -4.433 -4.629 1.00 0.00 O ATOM 1159 CB ASP B 32 5.492 -4.768 -3.646 1.00 0.00 C ATOM 1160 CG ASP B 32 5.982 -5.478 -4.905 1.00 0.00 C ATOM 1161 OD1 ASP B 32 6.342 -4.816 -5.896 1.00 0.00 O ATOM 1162 OD2 ASP B 32 5.979 -6.728 -4.919 1.00 0.00 O ATOM 0 H ASP B 32 3.828 -3.474 -2.198 1.00 0.00 H new ATOM 0 HA ASP B 32 5.611 -2.739 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP B 32 6.325 -4.628 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP B 32 4.758 -5.391 -3.136 1.00 0.00 H new ATOM 1167 N HIS B 33 3.787 -3.066 -6.132 1.00 0.00 N ATOM 1168 CA HIS B 33 2.759 -3.259 -7.140 1.00 0.00 C ATOM 1169 C HIS B 33 2.900 -4.581 -7.894 1.00 0.00 C ATOM 1170 O HIS B 33 1.906 -5.056 -8.440 1.00 0.00 O ATOM 1171 CB HIS B 33 2.802 -2.101 -8.136 1.00 0.00 C ATOM 1172 CG HIS B 33 1.860 -0.993 -7.767 1.00 0.00 C ATOM 1173 ND1 HIS B 33 0.503 -0.949 -8.083 1.00 0.00 N ATOM 1174 CD2 HIS B 33 2.184 0.116 -7.052 1.00 0.00 C ATOM 1175 CE1 HIS B 33 0.063 0.234 -7.629 1.00 0.00 C ATOM 1176 NE2 HIS B 33 1.040 0.873 -6.967 1.00 0.00 N ATOM 0 H HIS B 33 4.534 -2.430 -6.411 1.00 0.00 H new ATOM 0 HA HIS B 33 1.802 -3.289 -6.619 1.00 0.00 H new ATOM 0 HB2 HIS B 33 3.817 -1.708 -8.189 1.00 0.00 H new ATOM 0 HB3 HIS B 33 2.551 -2.471 -9.130 1.00 0.00 H new ATOM 0 HD2 HIS B 33 3.150 0.355 -6.633 1.00 0.00 H new ATOM 0 HE1 HIS B 33 -0.936 0.618 -7.775 1.00 0.00 H new ATOM 0 HE2 HIS B 33 0.949 1.767 -6.484 1.00 0.00 H new ATOM 1184 N THR B 34 4.076 -5.205 -7.909 1.00 0.00 N ATOM 1185 CA THR B 34 4.290 -6.453 -8.626 1.00 0.00 C ATOM 1186 C THR B 34 3.536 -7.593 -7.950 1.00 0.00 C ATOM 1187 O THR B 34 2.790 -8.318 -8.607 1.00 0.00 O ATOM 1188 CB THR B 34 5.801 -6.719 -8.695 1.00 0.00 C ATOM 1189 OG1 THR B 34 6.444 -5.727 -9.474 1.00 0.00 O ATOM 1190 CG2 THR B 34 6.159 -8.082 -9.290 1.00 0.00 C ATOM 0 H THR B 34 4.904 -4.858 -7.424 1.00 0.00 H new ATOM 0 HA THR B 34 3.900 -6.381 -9.641 1.00 0.00 H new ATOM 0 HB THR B 34 6.143 -6.699 -7.660 1.00 0.00 H new ATOM 0 HG1 THR B 34 7.406 -5.910 -9.507 1.00 0.00 H new ATOM 0 HG21 THR B 34 7.243 -8.199 -9.306 1.00 0.00 H new ATOM 0 HG22 THR B 34 5.718 -8.872 -8.682 1.00 0.00 H new ATOM 0 HG23 THR B 34 5.771 -8.148 -10.307 1.00 0.00 H new ATOM 1198 N ASN B 35 3.693 -7.745 -6.635 1.00 0.00 N ATOM 1199 CA ASN B 35 3.047 -8.821 -5.886 1.00 0.00 C ATOM 1200 C ASN B 35 1.881 -8.332 -5.043 1.00 0.00 C ATOM 1201 O ASN B 35 1.225 -9.142 -4.390 1.00 0.00 O ATOM 1202 CB ASN B 35 4.102 -9.481 -4.997 1.00 0.00 C ATOM 1203 CG ASN B 35 5.101 -10.282 -5.814 1.00 0.00 C ATOM 1204 OD1 ASN B 35 4.719 -11.216 -6.513 1.00 0.00 O ATOM 1205 ND2 ASN B 35 6.376 -9.945 -5.762 1.00 0.00 N ATOM 0 H ASN B 35 4.269 -7.128 -6.062 1.00 0.00 H new ATOM 0 HA ASN B 35 2.631 -9.535 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN B 35 4.628 -8.716 -4.427 1.00 0.00 H new ATOM 0 HB3 ASN B 35 3.613 -10.136 -4.276 1.00 0.00 H new ATOM 0 HD21 ASN B 35 7.063 -10.464 -6.309 1.00 0.00 H new ATOM 0 HD22 ASN B 35 6.674 -9.166 -5.175 1.00 0.00 H new ATOM 1212 N LYS B 36 1.590 -7.030 -5.078 1.00 0.00 N ATOM 1213 CA LYS B 36 0.533 -6.391 -4.312 1.00 0.00 C ATOM 1214 C LYS B 36 0.693 -6.720 -2.830 1.00 0.00 C ATOM 1215 O LYS B 36 -0.241 -7.221 -2.197 1.00 0.00 O ATOM 1216 CB LYS B 36 -0.862 -6.691 -4.896 1.00 0.00 C ATOM 1217 CG LYS B 36 -1.122 -6.020 -6.254 1.00 0.00 C ATOM 1218 CD LYS B 36 -0.930 -4.501 -6.322 1.00 0.00 C ATOM 1219 CE LYS B 36 -2.133 -3.803 -6.943 1.00 0.00 C ATOM 1220 NZ LYS B 36 -1.789 -2.410 -7.273 1.00 0.00 N ATOM 0 H LYS B 36 2.106 -6.373 -5.664 1.00 0.00 H new ATOM 0 HA LYS B 36 0.626 -5.308 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -0.975 -7.769 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -1.621 -6.361 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -0.463 -6.479 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -2.145 -6.247 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -0.763 -4.111 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -0.038 -4.274 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -2.447 -4.332 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -2.974 -3.825 -6.251 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -2.416 -2.067 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -1.907 -1.814 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -0.801 -2.363 -7.595 1.00 0.00 H new ATOM 1234 N ARG B 37 1.883 -6.462 -2.276 1.00 0.00 N ATOM 1235 CA ARG B 37 2.195 -6.731 -0.870 1.00 0.00 C ATOM 1236 C ARG B 37 2.561 -5.430 -0.171 1.00 0.00 C ATOM 1237 O ARG B 37 2.898 -4.449 -0.836 1.00 0.00 O ATOM 1238 CB ARG B 37 3.326 -7.766 -0.751 1.00 0.00 C ATOM 1239 CG ARG B 37 2.983 -9.091 -1.447 1.00 0.00 C ATOM 1240 CD ARG B 37 4.066 -10.158 -1.265 1.00 0.00 C ATOM 1241 NE ARG B 37 4.177 -10.640 0.118 1.00 0.00 N ATOM 1242 CZ ARG B 37 3.312 -11.433 0.760 1.00 0.00 C ATOM 1243 NH1 ARG B 37 2.232 -11.927 0.164 1.00 0.00 N ATOM 1244 NH2 ARG B 37 3.532 -11.728 2.032 1.00 0.00 N ATOM 0 H ARG B 37 2.662 -6.058 -2.796 1.00 0.00 H new ATOM 0 HA ARG B 37 1.316 -7.152 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG B 37 4.237 -7.356 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG B 37 3.532 -7.955 0.302 1.00 0.00 H new ATOM 0 HG2 ARG B 37 2.039 -9.468 -1.054 1.00 0.00 H new ATOM 0 HG3 ARG B 37 2.835 -8.909 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG B 37 3.850 -11.002 -1.921 1.00 0.00 H new ATOM 0 HD3 ARG B 37 5.026 -9.749 -1.578 1.00 0.00 H new ATOM 0 HE ARG B 37 4.998 -10.339 0.643 1.00 0.00 H new ATOM 0 HH11 ARG B 37 2.042 -11.704 -0.813 1.00 0.00 H new ATOM 0 HH12 ARG B 37 1.593 -12.529 0.684 1.00 0.00 H new ATOM 0 HH21 ARG B 37 4.352 -11.352 2.508 1.00 0.00 H new ATOM 0 HH22 ARG B 37 2.882 -12.331 2.535 1.00 0.00 H new ATOM 1258 N ALA B 38 2.523 -5.425 1.160 1.00 0.00 N ATOM 1259 CA ALA B 38 2.845 -4.279 1.997 1.00 0.00 C ATOM 1260 C ALA B 38 3.861 -4.711 3.058 1.00 0.00 C ATOM 1261 O ALA B 38 3.792 -5.833 3.558 1.00 0.00 O ATOM 1262 CB ALA B 38 1.551 -3.744 2.635 1.00 0.00 C ATOM 0 H ALA B 38 2.258 -6.248 1.700 1.00 0.00 H new ATOM 0 HA ALA B 38 3.288 -3.477 1.406 1.00 0.00 H new ATOM 0 HB1 ALA B 38 1.784 -2.885 3.264 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.857 -3.442 1.851 1.00 0.00 H new ATOM 0 HB3 ALA B 38 1.095 -4.526 3.243 1.00 0.00 H new ATOM 1268 N GLN B 39 4.818 -3.852 3.402 1.00 0.00 N ATOM 1269 CA GLN B 39 5.844 -4.119 4.413 1.00 0.00 C ATOM 1270 C GLN B 39 6.329 -2.783 4.971 1.00 0.00 C ATOM 1271 O GLN B 39 6.108 -1.746 4.349 1.00 0.00 O ATOM 1272 CB GLN B 39 6.998 -4.967 3.847 1.00 0.00 C ATOM 1273 CG GLN B 39 7.673 -4.370 2.609 1.00 0.00 C ATOM 1274 CD GLN B 39 8.731 -5.320 2.052 1.00 0.00 C ATOM 1275 OE1 GLN B 39 8.407 -6.291 1.361 1.00 0.00 O ATOM 1276 NE2 GLN B 39 10.005 -5.068 2.317 1.00 0.00 N ATOM 0 H GLN B 39 4.905 -2.929 2.977 1.00 0.00 H new ATOM 0 HA GLN B 39 5.416 -4.711 5.222 1.00 0.00 H new ATOM 0 HB2 GLN B 39 7.749 -5.103 4.625 1.00 0.00 H new ATOM 0 HB3 GLN B 39 6.616 -5.957 3.596 1.00 0.00 H new ATOM 0 HG2 GLN B 39 6.923 -4.166 1.844 1.00 0.00 H new ATOM 0 HG3 GLN B 39 8.134 -3.416 2.866 1.00 0.00 H new ATOM 0 HE21 GLN B 39 10.257 -4.262 2.889 1.00 0.00 H new ATOM 0 HE22 GLN B 39 10.733 -5.680 1.949 1.00 0.00 H new ATOM 1285 N TYR B 40 7.030 -2.787 6.107 1.00 0.00 N ATOM 1286 CA TYR B 40 7.516 -1.552 6.721 1.00 0.00 C ATOM 1287 C TYR B 40 9.019 -1.318 6.505 1.00 0.00 C ATOM 1288 O TYR B 40 9.518 -0.265 6.890 1.00 0.00 O ATOM 1289 CB TYR B 40 7.155 -1.508 8.211 1.00 0.00 C ATOM 1290 CG TYR B 40 5.698 -1.728 8.599 1.00 0.00 C ATOM 1291 CD1 TYR B 40 5.141 -3.024 8.608 1.00 0.00 C ATOM 1292 CD2 TYR B 40 4.931 -0.645 9.069 1.00 0.00 C ATOM 1293 CE1 TYR B 40 3.873 -3.253 9.171 1.00 0.00 C ATOM 1294 CE2 TYR B 40 3.653 -0.860 9.618 1.00 0.00 C ATOM 1295 CZ TYR B 40 3.142 -2.172 9.721 1.00 0.00 C ATOM 1296 OH TYR B 40 1.943 -2.417 10.323 1.00 0.00 O ATOM 0 H TYR B 40 7.274 -3.634 6.620 1.00 0.00 H new ATOM 0 HA TYR B 40 7.009 -0.732 6.213 1.00 0.00 H new ATOM 0 HB2 TYR B 40 7.755 -2.261 8.723 1.00 0.00 H new ATOM 0 HB3 TYR B 40 7.462 -0.537 8.601 1.00 0.00 H new ATOM 0 HD1 TYR B 40 5.693 -3.847 8.179 1.00 0.00 H new ATOM 0 HD2 TYR B 40 5.326 0.358 9.008 1.00 0.00 H new ATOM 0 HE1 TYR B 40 3.458 -4.250 9.184 1.00 0.00 H new ATOM 0 HE2 TYR B 40 3.064 -0.022 9.960 1.00 0.00 H new ATOM 0 HH TYR B 40 1.564 -1.575 10.651 1.00 0.00 H new ATOM 1306 N ARG B 41 9.766 -2.270 5.925 1.00 0.00 N ATOM 1307 CA ARG B 41 11.204 -2.099 5.671 1.00 0.00 C ATOM 1308 C ARG B 41 11.384 -1.837 4.182 1.00 0.00 C ATOM 1309 O ARG B 41 10.656 -2.432 3.387 1.00 0.00 O ATOM 1310 CB ARG B 41 12.061 -3.271 6.196 1.00 0.00 C ATOM 1311 CG ARG B 41 11.913 -4.626 5.483 1.00 0.00 C ATOM 1312 CD ARG B 41 10.866 -5.563 6.098 1.00 0.00 C ATOM 1313 NE ARG B 41 10.664 -6.749 5.247 1.00 0.00 N ATOM 1314 CZ ARG B 41 9.834 -7.772 5.477 1.00 0.00 C ATOM 1315 NH1 ARG B 41 9.181 -7.908 6.626 1.00 0.00 N ATOM 1316 NH2 ARG B 41 9.635 -8.669 4.527 1.00 0.00 N ATOM 0 H ARG B 41 9.395 -3.170 5.622 1.00 0.00 H new ATOM 0 HA ARG B 41 11.574 -1.244 6.236 1.00 0.00 H new ATOM 0 HB2 ARG B 41 13.108 -2.974 6.142 1.00 0.00 H new ATOM 0 HB3 ARG B 41 11.825 -3.417 7.250 1.00 0.00 H new ATOM 0 HG2 ARG B 41 11.652 -4.446 4.440 1.00 0.00 H new ATOM 0 HG3 ARG B 41 12.879 -5.131 5.487 1.00 0.00 H new ATOM 0 HD2 ARG B 41 11.188 -5.873 7.092 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.922 -5.032 6.220 1.00 0.00 H new ATOM 0 HE ARG B 41 11.216 -6.795 4.391 1.00 0.00 H new ATOM 0 HH11 ARG B 41 9.305 -7.219 7.368 1.00 0.00 H new ATOM 0 HH12 ARG B 41 8.556 -8.701 6.766 1.00 0.00 H new ATOM 0 HH21 ARG B 41 10.112 -8.577 3.630 1.00 0.00 H new ATOM 0 HH22 ARG B 41 9.004 -9.454 4.691 1.00 0.00 H new ATOM 1330 N HIS B 42 12.315 -0.965 3.801 1.00 0.00 N ATOM 1331 CA HIS B 42 12.595 -0.594 2.411 1.00 0.00 C ATOM 1332 C HIS B 42 12.922 -1.849 1.569 1.00 0.00 C ATOM 1333 O HIS B 42 13.461 -2.821 2.114 1.00 0.00 O ATOM 1334 CB HIS B 42 13.721 0.457 2.453 1.00 0.00 C ATOM 1335 CG HIS B 42 14.133 1.099 1.153 1.00 0.00 C ATOM 1336 ND1 HIS B 42 15.139 0.623 0.314 1.00 0.00 N ATOM 1337 CD2 HIS B 42 13.682 2.295 0.671 1.00 0.00 C ATOM 1338 CE1 HIS B 42 15.236 1.511 -0.689 1.00 0.00 C ATOM 1339 NE2 HIS B 42 14.387 2.533 -0.490 1.00 0.00 N ATOM 0 H HIS B 42 12.915 -0.481 4.469 1.00 0.00 H new ATOM 0 HA HIS B 42 11.730 -0.153 1.915 1.00 0.00 H new ATOM 0 HB2 HIS B 42 13.414 1.250 3.135 1.00 0.00 H new ATOM 0 HB3 HIS B 42 14.603 -0.014 2.888 1.00 0.00 H new ATOM 0 HD2 HIS B 42 12.925 2.927 1.111 1.00 0.00 H new ATOM 0 HE1 HIS B 42 15.901 1.417 -1.535 1.00 0.00 H new ATOM 0 HE2 HIS B 42 14.282 3.347 -1.095 1.00 0.00 H new ATOM 1347 N PRO B 43 12.562 -1.895 0.271 1.00 0.00 N ATOM 1348 CA PRO B 43 12.826 -3.057 -0.576 1.00 0.00 C ATOM 1349 C PRO B 43 14.320 -3.262 -0.840 1.00 0.00 C ATOM 1350 O PRO B 43 15.120 -2.340 -0.697 1.00 0.00 O ATOM 1351 CB PRO B 43 12.044 -2.803 -1.865 1.00 0.00 C ATOM 1352 CG PRO B 43 11.923 -1.287 -1.955 1.00 0.00 C ATOM 1353 CD PRO B 43 11.924 -0.834 -0.500 1.00 0.00 C ATOM 0 HA PRO B 43 12.509 -3.980 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO B 43 12.566 -3.210 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO B 43 11.063 -3.277 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO B 43 12.754 -0.852 -2.510 1.00 0.00 H new ATOM 0 HG3 PRO B 43 11.008 -0.989 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO B 43 12.466 0.105 -0.388 1.00 0.00 H new ATOM 0 HD3 PRO B 43 10.907 -0.659 -0.149 1.00 0.00 H new ATOM 1361 N SER B 44 14.701 -4.484 -1.204 1.00 0.00 N ATOM 1362 CA SER B 44 16.069 -4.870 -1.508 1.00 0.00 C ATOM 1363 C SER B 44 16.039 -6.150 -2.329 1.00 0.00 C ATOM 1364 O SER B 44 15.470 -7.165 -1.901 1.00 0.00 O ATOM 1365 CB SER B 44 16.889 -5.084 -0.229 1.00 0.00 C ATOM 1366 OG SER B 44 17.612 -3.904 0.040 1.00 0.00 O ATOM 0 H SER B 44 14.041 -5.256 -1.297 1.00 0.00 H new ATOM 0 HA SER B 44 16.547 -4.068 -2.071 1.00 0.00 H new ATOM 0 HB2 SER B 44 16.232 -5.325 0.607 1.00 0.00 H new ATOM 0 HB3 SER B 44 17.570 -5.926 -0.352 1.00 0.00 H new ATOM 0 HG SER B 44 17.029 -3.127 -0.087 1.00 0.00 H new ATOM 1372 N GLY B 45 16.688 -6.089 -3.487 1.00 0.00 N ATOM 1373 CA GLY B 45 16.798 -7.178 -4.433 1.00 0.00 C ATOM 1374 C GLY B 45 15.924 -6.945 -5.668 1.00 0.00 C ATOM 1375 O GLY B 45 15.307 -5.884 -5.815 1.00 0.00 O ATOM 0 H GLY B 45 17.168 -5.244 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY B 45 17.838 -7.291 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.505 -8.110 -3.950 1.00 0.00 H new ATOM 1379 N PRO B 46 15.912 -7.917 -6.589 1.00 0.00 N ATOM 1380 CA PRO B 46 15.137 -7.890 -7.822 1.00 0.00 C ATOM 1381 C PRO B 46 13.698 -8.350 -7.544 1.00 0.00 C ATOM 1382 O PRO B 46 13.311 -8.548 -6.387 1.00 0.00 O ATOM 1383 CB PRO B 46 15.884 -8.877 -8.722 1.00 0.00 C ATOM 1384 CG PRO B 46 16.298 -9.970 -7.735 1.00 0.00 C ATOM 1385 CD PRO B 46 16.627 -9.179 -6.474 1.00 0.00 C ATOM 0 HA PRO B 46 15.051 -6.901 -8.273 1.00 0.00 H new ATOM 0 HB2 PRO B 46 15.246 -9.266 -9.516 1.00 0.00 H new ATOM 0 HB3 PRO B 46 16.746 -8.416 -9.203 1.00 0.00 H new ATOM 0 HG2 PRO B 46 15.495 -10.687 -7.565 1.00 0.00 H new ATOM 0 HG3 PRO B 46 17.158 -10.535 -8.094 1.00 0.00 H new ATOM 0 HD2 PRO B 46 16.317 -9.722 -5.581 1.00 0.00 H new ATOM 0 HD3 PRO B 46 17.701 -9.012 -6.388 1.00 0.00 H new ATOM 1393 N SER B 47 12.921 -8.579 -8.601 1.00 0.00 N ATOM 1394 CA SER B 47 11.541 -9.032 -8.529 1.00 0.00 C ATOM 1395 C SER B 47 11.456 -10.478 -9.019 1.00 0.00 C ATOM 1396 O SER B 47 11.704 -10.752 -10.195 1.00 0.00 O ATOM 1397 CB SER B 47 10.656 -8.087 -9.344 1.00 0.00 C ATOM 1398 OG SER B 47 10.790 -6.787 -8.805 1.00 0.00 O ATOM 0 H SER B 47 13.248 -8.449 -9.558 1.00 0.00 H new ATOM 0 HA SER B 47 11.182 -9.013 -7.500 1.00 0.00 H new ATOM 0 HB2 SER B 47 10.953 -8.097 -10.393 1.00 0.00 H new ATOM 0 HB3 SER B 47 9.616 -8.410 -9.304 1.00 0.00 H new ATOM 0 HG SER B 47 10.232 -6.163 -9.314 1.00 0.00 H new ATOM 1404 N SER B 48 11.145 -11.394 -8.102 1.00 0.00 N ATOM 1405 CA SER B 48 10.992 -12.819 -8.359 1.00 0.00 C ATOM 1406 C SER B 48 9.893 -13.337 -7.435 1.00 0.00 C ATOM 1407 O SER B 48 8.747 -13.455 -7.867 1.00 0.00 O ATOM 1408 CB SER B 48 12.316 -13.570 -8.178 1.00 0.00 C ATOM 1409 OG SER B 48 13.075 -13.544 -9.370 1.00 0.00 O ATOM 0 H SER B 48 10.988 -11.151 -7.124 1.00 0.00 H new ATOM 0 HA SER B 48 10.705 -12.991 -9.396 1.00 0.00 H new ATOM 0 HB2 SER B 48 12.888 -13.118 -7.368 1.00 0.00 H new ATOM 0 HB3 SER B 48 12.117 -14.602 -7.891 1.00 0.00 H new ATOM 0 HG SER B 48 12.854 -12.737 -9.881 1.00 0.00 H new ATOM 1415 N GLY B 49 10.213 -13.625 -6.171 1.00 0.00 N ATOM 1416 CA GLY B 49 9.255 -14.122 -5.195 1.00 0.00 C ATOM 1417 C GLY B 49 8.731 -12.966 -4.392 1.00 0.00 C ATOM 1418 O GLY B 49 7.505 -12.735 -4.395 1.00 0.00 O ATOM 0 H GLY B 49 11.156 -13.517 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY B 49 8.435 -14.633 -5.699 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.730 -14.852 -4.539 1.00 0.00 H new TER 1422 GLY B 49