USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 804 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 76 THR OG1 : rot 127:sc= -2.88 USER MOD Set 1.2: A 79 GLN : amide:sc= -0.0183 X(o=-2.9,f=-2.9) USER MOD Set 2.1: A 31 ASN : amide:sc= -0.0622 K(o=-1.1,f=-3.1!) USER MOD Set 2.2: A 44 SER OG : rot 180:sc= -1 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.102 (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 18 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.029) USER MOD Single : A 22 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.069) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 57:sc= 0.203 USER MOD Single : A 55 SER OG : rot -93:sc= 0.0247 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0591 USER MOD Single : A 68 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.1) USER MOD Single : A 71 ASN : amide:sc= -0.0196 K(o=-0.02,f=-0.58) USER MOD Single : A 74 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.14) USER MOD Single : A 77 HIS : no HD1:sc= -3.04! C(o=-3!,f=-5.9!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 96 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.6) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -130:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.628 3.829 -34.150 1.00 0.00 N ATOM 2 CA GLY A 1 -9.071 5.149 -33.911 1.00 0.00 C ATOM 3 C GLY A 1 -8.000 5.103 -32.820 1.00 0.00 C ATOM 4 O GLY A 1 -7.615 4.025 -32.368 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.538 3.592 -35.159 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.113 3.127 -33.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.633 3.822 -33.881 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.639 5.538 -34.833 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.865 5.835 -33.617 1.00 0.00 H new ATOM 8 N SER A 2 -7.550 6.285 -32.426 1.00 0.00 N ATOM 9 CA SER A 2 -6.531 6.393 -31.396 1.00 0.00 C ATOM 10 C SER A 2 -6.378 7.853 -30.963 1.00 0.00 C ATOM 11 O SER A 2 -5.829 8.669 -31.701 1.00 0.00 O ATOM 12 CB SER A 2 -5.191 5.842 -31.887 1.00 0.00 C ATOM 13 OG SER A 2 -4.227 5.769 -30.839 1.00 0.00 O ATOM 0 H SER A 2 -7.873 7.177 -32.802 1.00 0.00 H new ATOM 0 HA SER A 2 -6.846 5.797 -30.539 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.341 4.849 -32.311 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.809 6.476 -32.687 1.00 0.00 H new ATOM 0 HG SER A 2 -3.386 5.411 -31.192 1.00 0.00 H new ATOM 19 N SER A 3 -6.873 8.136 -29.767 1.00 0.00 N ATOM 20 CA SER A 3 -6.798 9.483 -29.226 1.00 0.00 C ATOM 21 C SER A 3 -7.012 9.451 -27.711 1.00 0.00 C ATOM 22 O SER A 3 -7.665 8.547 -27.192 1.00 0.00 O ATOM 23 CB SER A 3 -7.827 10.400 -29.889 1.00 0.00 C ATOM 24 OG SER A 3 -7.251 11.636 -30.305 1.00 0.00 O ATOM 0 H SER A 3 -7.327 7.456 -29.157 1.00 0.00 H new ATOM 0 HA SER A 3 -5.806 9.882 -29.437 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.261 9.894 -30.751 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.641 10.596 -29.191 1.00 0.00 H new ATOM 0 HG SER A 3 -7.939 12.193 -30.725 1.00 0.00 H new ATOM 30 N GLY A 4 -6.451 10.449 -27.045 1.00 0.00 N ATOM 31 CA GLY A 4 -6.573 10.547 -25.601 1.00 0.00 C ATOM 32 C GLY A 4 -6.166 11.938 -25.109 1.00 0.00 C ATOM 33 O GLY A 4 -5.097 12.436 -25.460 1.00 0.00 O ATOM 0 H GLY A 4 -5.911 11.197 -27.479 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.601 10.339 -25.304 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.946 9.792 -25.127 1.00 0.00 H new ATOM 37 N SER A 5 -7.039 12.525 -24.305 1.00 0.00 N ATOM 38 CA SER A 5 -6.784 13.848 -23.761 1.00 0.00 C ATOM 39 C SER A 5 -7.304 13.933 -22.325 1.00 0.00 C ATOM 40 O SER A 5 -8.503 13.798 -22.086 1.00 0.00 O ATOM 41 CB SER A 5 -7.431 14.933 -24.625 1.00 0.00 C ATOM 42 OG SER A 5 -8.624 14.473 -25.254 1.00 0.00 O ATOM 0 H SER A 5 -7.924 12.109 -24.017 1.00 0.00 H new ATOM 0 HA SER A 5 -5.707 14.016 -23.761 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.659 15.801 -24.007 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.723 15.261 -25.386 1.00 0.00 H new ATOM 0 HG SER A 5 -9.008 15.195 -25.795 1.00 0.00 H new ATOM 48 N SER A 6 -6.377 14.157 -21.406 1.00 0.00 N ATOM 49 CA SER A 6 -6.727 14.262 -19.999 1.00 0.00 C ATOM 50 C SER A 6 -7.057 15.714 -19.649 1.00 0.00 C ATOM 51 O SER A 6 -6.530 16.640 -20.264 1.00 0.00 O ATOM 52 CB SER A 6 -5.594 13.746 -19.110 1.00 0.00 C ATOM 53 OG SER A 6 -4.368 14.430 -19.357 1.00 0.00 O ATOM 0 H SER A 6 -5.383 14.269 -21.608 1.00 0.00 H new ATOM 0 HA SER A 6 -7.605 13.643 -19.818 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.872 13.866 -18.063 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.455 12.679 -19.283 1.00 0.00 H new ATOM 0 HG SER A 6 -3.670 14.073 -18.769 1.00 0.00 H new ATOM 59 N GLY A 7 -7.928 15.868 -18.663 1.00 0.00 N ATOM 60 CA GLY A 7 -8.335 17.192 -18.224 1.00 0.00 C ATOM 61 C GLY A 7 -9.105 17.119 -16.903 1.00 0.00 C ATOM 62 O GLY A 7 -8.589 16.613 -15.908 1.00 0.00 O ATOM 0 H GLY A 7 -8.363 15.098 -18.155 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.456 17.825 -18.102 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.959 17.656 -18.988 1.00 0.00 H new ATOM 66 N ARG A 8 -10.326 17.633 -16.937 1.00 0.00 N ATOM 67 CA ARG A 8 -11.171 17.632 -15.755 1.00 0.00 C ATOM 68 C ARG A 8 -10.561 18.516 -14.666 1.00 0.00 C ATOM 69 O ARG A 8 -9.351 18.737 -14.646 1.00 0.00 O ATOM 70 CB ARG A 8 -11.353 16.215 -15.209 1.00 0.00 C ATOM 71 CG ARG A 8 -12.662 15.599 -15.707 1.00 0.00 C ATOM 72 CD ARG A 8 -12.395 14.358 -16.561 1.00 0.00 C ATOM 73 NE ARG A 8 -13.606 14.006 -17.335 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.683 13.402 -16.813 1.00 0.00 C ATOM 75 NH1 ARG A 8 -14.705 13.080 -15.512 1.00 0.00 N ATOM 76 NH2 ARG A 8 -15.737 13.121 -17.591 1.00 0.00 N ATOM 0 H ARG A 8 -10.750 18.053 -17.764 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.146 18.026 -16.044 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.513 15.592 -15.517 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.349 16.238 -14.119 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.289 15.331 -14.856 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.215 16.335 -16.291 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.562 14.545 -17.239 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.106 13.523 -15.923 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.622 14.237 -18.328 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.903 13.295 -14.920 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.524 12.620 -15.114 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.720 13.367 -18.581 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.556 12.661 -17.193 1.00 0.00 H new ATOM 90 N PRO A 9 -11.449 19.011 -13.762 1.00 0.00 N ATOM 91 CA PRO A 9 -11.010 19.866 -12.672 1.00 0.00 C ATOM 92 C PRO A 9 -10.306 19.051 -11.586 1.00 0.00 C ATOM 93 O PRO A 9 -10.657 17.897 -11.344 1.00 0.00 O ATOM 94 CB PRO A 9 -12.273 20.550 -12.177 1.00 0.00 C ATOM 95 CG PRO A 9 -13.432 19.712 -12.692 1.00 0.00 C ATOM 96 CD PRO A 9 -12.889 18.770 -13.754 1.00 0.00 C ATOM 0 HA PRO A 9 -10.271 20.603 -12.986 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.285 20.606 -11.089 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.335 21.572 -12.550 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.887 19.148 -11.878 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.209 20.351 -13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.115 17.731 -13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.330 18.976 -14.729 1.00 0.00 H new ATOM 104 N GLY A 10 -9.324 19.684 -10.960 1.00 0.00 N ATOM 105 CA GLY A 10 -8.567 19.032 -9.904 1.00 0.00 C ATOM 106 C GLY A 10 -7.150 19.601 -9.815 1.00 0.00 C ATOM 107 O GLY A 10 -6.915 20.753 -10.176 1.00 0.00 O ATOM 0 H GLY A 10 -9.035 20.641 -11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.077 19.166 -8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.521 17.960 -10.093 1.00 0.00 H new ATOM 111 N GLY A 11 -6.241 18.766 -9.331 1.00 0.00 N ATOM 112 CA GLY A 11 -4.853 19.172 -9.189 1.00 0.00 C ATOM 113 C GLY A 11 -3.999 18.611 -10.329 1.00 0.00 C ATOM 114 O GLY A 11 -3.788 19.281 -11.338 1.00 0.00 O ATOM 0 H GLY A 11 -6.439 17.811 -9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.787 20.260 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.464 18.823 -8.232 1.00 0.00 H new ATOM 118 N ASP A 12 -3.531 17.388 -10.128 1.00 0.00 N ATOM 119 CA ASP A 12 -2.705 16.730 -11.126 1.00 0.00 C ATOM 120 C ASP A 12 -2.513 15.263 -10.736 1.00 0.00 C ATOM 121 O ASP A 12 -1.459 14.683 -10.989 1.00 0.00 O ATOM 122 CB ASP A 12 -1.324 17.381 -11.214 1.00 0.00 C ATOM 123 CG ASP A 12 -0.847 17.699 -12.632 1.00 0.00 C ATOM 124 OD1 ASP A 12 -1.312 16.998 -13.557 1.00 0.00 O ATOM 125 OD2 ASP A 12 -0.029 18.636 -12.760 1.00 0.00 O ATOM 0 H ASP A 12 -3.708 16.836 -9.289 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.206 16.817 -12.090 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.337 18.305 -10.636 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.597 16.720 -10.742 1.00 0.00 H new ATOM 130 N ALA A 13 -3.549 14.705 -10.126 1.00 0.00 N ATOM 131 CA ALA A 13 -3.507 13.317 -9.699 1.00 0.00 C ATOM 132 C ALA A 13 -4.854 12.938 -9.080 1.00 0.00 C ATOM 133 O ALA A 13 -5.861 12.853 -9.780 1.00 0.00 O ATOM 134 CB ALA A 13 -2.342 13.117 -8.728 1.00 0.00 C ATOM 0 H ALA A 13 -4.422 15.189 -9.918 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.338 12.658 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.310 12.076 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.406 13.372 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.478 13.760 -7.859 1.00 0.00 H new ATOM 140 N ARG A 14 -4.828 12.721 -7.773 1.00 0.00 N ATOM 141 CA ARG A 14 -6.034 12.352 -7.052 1.00 0.00 C ATOM 142 C ARG A 14 -6.409 10.899 -7.350 1.00 0.00 C ATOM 143 O ARG A 14 -6.656 10.117 -6.433 1.00 0.00 O ATOM 144 CB ARG A 14 -7.204 13.262 -7.434 1.00 0.00 C ATOM 145 CG ARG A 14 -7.649 14.112 -6.242 1.00 0.00 C ATOM 146 CD ARG A 14 -6.960 15.478 -6.255 1.00 0.00 C ATOM 147 NE ARG A 14 -7.799 16.475 -5.554 1.00 0.00 N ATOM 148 CZ ARG A 14 -7.326 17.603 -5.007 1.00 0.00 C ATOM 149 NH1 ARG A 14 -6.018 17.884 -5.076 1.00 0.00 N ATOM 150 NH2 ARG A 14 -8.161 18.450 -4.390 1.00 0.00 N ATOM 0 H ARG A 14 -3.991 12.794 -7.195 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.831 12.467 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.910 13.911 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.040 12.657 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.730 14.246 -6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.416 13.592 -5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.985 15.407 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.785 15.796 -7.283 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.800 16.292 -5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.382 17.239 -5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.658 18.743 -4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.157 18.236 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.801 19.309 -3.974 1.00 0.00 H new ATOM 164 N GLU A 15 -6.439 10.582 -8.636 1.00 0.00 N ATOM 165 CA GLU A 15 -6.779 9.236 -9.067 1.00 0.00 C ATOM 166 C GLU A 15 -5.663 8.260 -8.690 1.00 0.00 C ATOM 167 O GLU A 15 -4.616 8.671 -8.191 1.00 0.00 O ATOM 168 CB GLU A 15 -7.059 9.196 -10.570 1.00 0.00 C ATOM 169 CG GLU A 15 -8.528 8.870 -10.847 1.00 0.00 C ATOM 170 CD GLU A 15 -8.680 8.092 -12.155 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.401 8.698 -13.212 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.072 6.908 -12.069 1.00 0.00 O ATOM 0 H GLU A 15 -6.234 11.233 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.690 8.930 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.806 10.158 -11.016 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.422 8.448 -11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.936 8.285 -10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.105 9.793 -10.900 1.00 0.00 H new ATOM 179 N PRO A 16 -5.931 6.952 -8.950 1.00 0.00 N ATOM 180 CA PRO A 16 -4.961 5.915 -8.644 1.00 0.00 C ATOM 181 C PRO A 16 -3.816 5.918 -9.658 1.00 0.00 C ATOM 182 O PRO A 16 -3.977 6.394 -10.781 1.00 0.00 O ATOM 183 CB PRO A 16 -5.756 4.619 -8.650 1.00 0.00 C ATOM 184 CG PRO A 16 -7.037 4.919 -9.411 1.00 0.00 C ATOM 185 CD PRO A 16 -7.159 6.429 -9.540 1.00 0.00 C ATOM 0 HA PRO A 16 -4.475 6.065 -7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.194 3.819 -9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.973 4.290 -7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.014 4.452 -10.396 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.899 4.510 -8.884 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.257 6.731 -10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.040 6.801 -9.016 1.00 0.00 H new ATOM 193 N ARG A 17 -2.684 5.381 -9.227 1.00 0.00 N ATOM 194 CA ARG A 17 -1.512 5.316 -10.084 1.00 0.00 C ATOM 195 C ARG A 17 -0.776 3.991 -9.876 1.00 0.00 C ATOM 196 O ARG A 17 -1.204 3.157 -9.079 1.00 0.00 O ATOM 197 CB ARG A 17 -0.555 6.474 -9.796 1.00 0.00 C ATOM 198 CG ARG A 17 -0.558 6.832 -8.309 1.00 0.00 C ATOM 199 CD ARG A 17 0.869 6.952 -7.770 1.00 0.00 C ATOM 200 NE ARG A 17 1.452 8.253 -8.166 1.00 0.00 N ATOM 201 CZ ARG A 17 2.298 8.415 -9.192 1.00 0.00 C ATOM 202 NH1 ARG A 17 2.665 7.360 -9.932 1.00 0.00 N ATOM 203 NH2 ARG A 17 2.778 9.633 -9.479 1.00 0.00 N ATOM 0 H ARG A 17 -2.553 4.987 -8.295 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.852 5.389 -11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.454 6.202 -10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.845 7.345 -10.384 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.087 7.773 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.099 6.069 -7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.865 6.862 -6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.482 6.137 -8.155 1.00 0.00 H new ATOM 0 HE ARG A 17 1.194 9.078 -7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.300 6.433 -9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.309 7.484 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.499 10.437 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.422 9.756 -10.260 1.00 0.00 H new ATOM 217 N LYS A 18 0.319 3.838 -10.606 1.00 0.00 N ATOM 218 CA LYS A 18 1.119 2.629 -10.512 1.00 0.00 C ATOM 219 C LYS A 18 2.422 2.940 -9.772 1.00 0.00 C ATOM 220 O LYS A 18 3.183 3.813 -10.187 1.00 0.00 O ATOM 221 CB LYS A 18 1.331 2.017 -11.898 1.00 0.00 C ATOM 222 CG LYS A 18 2.440 0.964 -11.869 1.00 0.00 C ATOM 223 CD LYS A 18 2.436 0.127 -13.150 1.00 0.00 C ATOM 224 CE LYS A 18 1.232 -0.817 -13.184 1.00 0.00 C ATOM 225 NZ LYS A 18 0.278 -0.403 -14.237 1.00 0.00 N ATOM 0 H LYS A 18 0.671 4.532 -11.266 1.00 0.00 H new ATOM 0 HA LYS A 18 0.595 1.871 -9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.403 1.563 -12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.588 2.801 -12.610 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.407 1.453 -11.753 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.306 0.313 -11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.411 0.785 -14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.358 -0.451 -13.214 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.568 -1.837 -13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.735 -0.817 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.623 -0.906 -14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.114 0.622 -14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.671 -0.633 -15.172 1.00 0.00 H new ATOM 239 N ILE A 19 2.639 2.210 -8.688 1.00 0.00 N ATOM 240 CA ILE A 19 3.836 2.397 -7.886 1.00 0.00 C ATOM 241 C ILE A 19 4.552 1.055 -7.726 1.00 0.00 C ATOM 242 O ILE A 19 4.082 0.179 -7.002 1.00 0.00 O ATOM 243 CB ILE A 19 3.491 3.073 -6.558 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.741 4.386 -6.789 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.743 3.271 -5.702 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.563 4.523 -5.822 1.00 0.00 C ATOM 0 H ILE A 19 2.006 1.487 -8.346 1.00 0.00 H new ATOM 0 HA ILE A 19 4.530 3.071 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 19 2.823 2.414 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.423 5.226 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.379 4.426 -7.816 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.470 3.753 -4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.198 2.303 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.455 3.898 -6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.047 5.465 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.871 3.695 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.931 4.507 -4.796 1.00 0.00 H new ATOM 258 N ILE A 20 5.679 0.936 -8.413 1.00 0.00 N ATOM 259 CA ILE A 20 6.465 -0.285 -8.356 1.00 0.00 C ATOM 260 C ILE A 20 7.618 -0.098 -7.367 1.00 0.00 C ATOM 261 O ILE A 20 8.585 0.601 -7.662 1.00 0.00 O ATOM 262 CB ILE A 20 6.917 -0.697 -9.758 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.748 -1.261 -10.568 1.00 0.00 C ATOM 264 CG2 ILE A 20 8.092 -1.675 -9.690 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.830 -0.819 -12.030 1.00 0.00 C ATOM 0 H ILE A 20 6.066 1.665 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 20 5.859 -1.112 -7.986 1.00 0.00 H new ATOM 0 HB ILE A 20 7.269 0.194 -10.279 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.754 -2.350 -10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.806 -0.925 -10.135 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.394 -1.952 -10.700 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.930 -1.202 -9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.790 -2.569 -9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.987 -1.234 -12.583 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.799 0.269 -12.083 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.762 -1.177 -12.467 1.00 0.00 H new ATOM 277 N LEU A 21 7.476 -0.736 -6.215 1.00 0.00 N ATOM 278 CA LEU A 21 8.494 -0.649 -5.181 1.00 0.00 C ATOM 279 C LEU A 21 9.351 -1.916 -5.208 1.00 0.00 C ATOM 280 O LEU A 21 8.827 -3.022 -5.323 1.00 0.00 O ATOM 281 CB LEU A 21 7.853 -0.369 -3.821 1.00 0.00 C ATOM 282 CG LEU A 21 6.971 0.878 -3.738 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.660 2.081 -4.386 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.590 0.615 -4.344 1.00 0.00 C ATOM 0 H LEU A 21 6.672 -1.315 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 21 9.161 0.192 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.252 -1.234 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.647 -0.278 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 21 6.821 1.120 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.012 2.954 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.600 2.283 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.860 1.864 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.983 1.518 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.700 0.334 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.102 -0.194 -3.801 1.00 0.00 H new ATOM 296 N HIS A 22 10.656 -1.711 -5.100 1.00 0.00 N ATOM 297 CA HIS A 22 11.591 -2.823 -5.111 1.00 0.00 C ATOM 298 C HIS A 22 11.917 -3.233 -3.673 1.00 0.00 C ATOM 299 O HIS A 22 12.631 -2.523 -2.967 1.00 0.00 O ATOM 300 CB HIS A 22 12.839 -2.475 -5.925 1.00 0.00 C ATOM 301 CG HIS A 22 12.548 -2.057 -7.346 1.00 0.00 C ATOM 302 ND1 HIS A 22 13.124 -2.675 -8.443 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.736 -1.078 -7.839 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.673 -2.086 -9.540 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.813 -1.096 -9.164 1.00 0.00 N ATOM 0 H HIS A 22 11.087 -0.792 -5.005 1.00 0.00 H new ATOM 0 HA HIS A 22 11.135 -3.682 -5.603 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.375 -1.670 -5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.503 -3.339 -5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.133 -0.403 -7.251 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.939 -2.344 -10.554 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.312 -0.472 -9.797 1.00 0.00 H new ATOM 313 N LYS A 23 11.377 -4.379 -3.282 1.00 0.00 N ATOM 314 CA LYS A 23 11.601 -4.892 -1.942 1.00 0.00 C ATOM 315 C LYS A 23 13.103 -4.912 -1.652 1.00 0.00 C ATOM 316 O LYS A 23 13.841 -5.707 -2.233 1.00 0.00 O ATOM 317 CB LYS A 23 10.924 -6.253 -1.769 1.00 0.00 C ATOM 318 CG LYS A 23 9.557 -6.104 -1.098 1.00 0.00 C ATOM 319 CD LYS A 23 9.209 -7.350 -0.281 1.00 0.00 C ATOM 320 CE LYS A 23 8.714 -8.479 -1.187 1.00 0.00 C ATOM 321 NZ LYS A 23 8.537 -9.727 -0.410 1.00 0.00 N ATOM 0 H LYS A 23 10.785 -4.966 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 23 11.142 -4.236 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.806 -6.731 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.559 -6.905 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.560 -5.228 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.792 -5.936 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.086 -7.682 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.442 -7.105 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.769 -8.194 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.427 -8.644 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.201 -10.483 -1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.446 -10.006 0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.840 -9.570 0.345 1.00 0.00 H new ATOM 335 N GLY A 24 13.512 -4.027 -0.755 1.00 0.00 N ATOM 336 CA GLY A 24 14.913 -3.933 -0.381 1.00 0.00 C ATOM 337 C GLY A 24 15.449 -5.288 0.086 1.00 0.00 C ATOM 338 O GLY A 24 16.309 -5.878 -0.565 1.00 0.00 O ATOM 0 H GLY A 24 12.898 -3.368 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.497 -3.581 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.032 -3.197 0.414 1.00 0.00 H new ATOM 342 N SER A 25 14.916 -5.743 1.211 1.00 0.00 N ATOM 343 CA SER A 25 15.330 -7.017 1.773 1.00 0.00 C ATOM 344 C SER A 25 14.280 -7.515 2.769 1.00 0.00 C ATOM 345 O SER A 25 13.909 -8.688 2.750 1.00 0.00 O ATOM 346 CB SER A 25 16.695 -6.902 2.454 1.00 0.00 C ATOM 347 OG SER A 25 17.690 -7.675 1.789 1.00 0.00 O ATOM 0 H SER A 25 14.201 -5.252 1.748 1.00 0.00 H new ATOM 0 HA SER A 25 15.420 -7.736 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.002 -5.856 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.612 -7.231 3.490 1.00 0.00 H new ATOM 0 HG SER A 25 18.547 -7.574 2.253 1.00 0.00 H new ATOM 353 N THR A 26 13.831 -6.599 3.614 1.00 0.00 N ATOM 354 CA THR A 26 12.831 -6.931 4.615 1.00 0.00 C ATOM 355 C THR A 26 11.595 -6.046 4.447 1.00 0.00 C ATOM 356 O THR A 26 11.265 -5.259 5.333 1.00 0.00 O ATOM 357 CB THR A 26 13.484 -6.808 5.993 1.00 0.00 C ATOM 358 OG1 THR A 26 13.984 -5.474 6.023 1.00 0.00 O ATOM 359 CG2 THR A 26 14.735 -7.678 6.129 1.00 0.00 C ATOM 0 H THR A 26 14.141 -5.627 3.626 1.00 0.00 H new ATOM 0 HA THR A 26 12.477 -7.955 4.497 1.00 0.00 H new ATOM 0 HB THR A 26 12.763 -7.087 6.762 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.250 -4.846 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.159 -7.553 7.125 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.469 -8.724 5.976 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.470 -7.378 5.382 1.00 0.00 H new ATOM 367 N GLY A 27 10.944 -6.204 3.304 1.00 0.00 N ATOM 368 CA GLY A 27 9.751 -5.429 3.008 1.00 0.00 C ATOM 369 C GLY A 27 10.056 -4.313 2.007 1.00 0.00 C ATOM 370 O GLY A 27 11.218 -3.983 1.774 1.00 0.00 O ATOM 0 H GLY A 27 11.220 -6.858 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.979 -6.084 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.355 -4.999 3.928 1.00 0.00 H new ATOM 374 N LEU A 28 8.992 -3.763 1.441 1.00 0.00 N ATOM 375 CA LEU A 28 9.131 -2.691 0.470 1.00 0.00 C ATOM 376 C LEU A 28 9.770 -1.476 1.146 1.00 0.00 C ATOM 377 O LEU A 28 10.930 -1.157 0.889 1.00 0.00 O ATOM 378 CB LEU A 28 7.785 -2.389 -0.192 1.00 0.00 C ATOM 379 CG LEU A 28 7.302 -3.409 -1.225 1.00 0.00 C ATOM 380 CD1 LEU A 28 5.791 -3.299 -1.438 1.00 0.00 C ATOM 381 CD2 LEU A 28 8.077 -3.271 -2.536 1.00 0.00 C ATOM 0 H LEU A 28 8.030 -4.040 1.636 1.00 0.00 H new ATOM 0 HA LEU A 28 9.797 -2.994 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.029 -2.306 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.851 -1.415 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 28 7.501 -4.408 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.473 -4.035 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.276 -3.485 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.546 -2.298 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.714 -4.008 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.932 -2.269 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.138 -3.438 -2.351 1.00 0.00 H new ATOM 393 N GLY A 29 8.985 -0.831 1.996 1.00 0.00 N ATOM 394 CA GLY A 29 9.460 0.341 2.711 1.00 0.00 C ATOM 395 C GLY A 29 8.305 1.294 3.030 1.00 0.00 C ATOM 396 O GLY A 29 8.394 2.492 2.767 1.00 0.00 O ATOM 0 H GLY A 29 8.023 -1.098 2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.949 0.034 3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.209 0.859 2.111 1.00 0.00 H new ATOM 400 N PHE A 30 7.249 0.725 3.591 1.00 0.00 N ATOM 401 CA PHE A 30 6.078 1.508 3.949 1.00 0.00 C ATOM 402 C PHE A 30 5.076 0.667 4.742 1.00 0.00 C ATOM 403 O PHE A 30 5.025 -0.553 4.587 1.00 0.00 O ATOM 404 CB PHE A 30 5.425 1.959 2.640 1.00 0.00 C ATOM 405 CG PHE A 30 4.861 0.812 1.799 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.730 0.170 2.197 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.491 0.435 0.654 1.00 0.00 C ATOM 408 CE1 PHE A 30 3.206 -0.894 1.416 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.967 -0.629 -0.126 1.00 0.00 C ATOM 410 CZ PHE A 30 3.836 -1.272 0.271 1.00 0.00 C ATOM 0 H PHE A 30 7.179 -0.269 3.807 1.00 0.00 H new ATOM 0 HA PHE A 30 6.372 2.354 4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.620 2.658 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.161 2.503 2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.231 0.469 3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.389 0.945 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.307 -1.403 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.467 -0.928 -1.035 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.438 -2.082 -0.322 1.00 0.00 H new ATOM 420 N ASN A 31 4.305 1.351 5.573 1.00 0.00 N ATOM 421 CA ASN A 31 3.307 0.682 6.391 1.00 0.00 C ATOM 422 C ASN A 31 1.953 0.734 5.680 1.00 0.00 C ATOM 423 O ASN A 31 1.807 1.412 4.664 1.00 0.00 O ATOM 424 CB ASN A 31 3.156 1.370 7.749 1.00 0.00 C ATOM 425 CG ASN A 31 3.130 0.345 8.884 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.723 -0.793 8.717 1.00 0.00 O ATOM 427 ND2 ASN A 31 3.586 0.810 10.043 1.00 0.00 N ATOM 0 H ASN A 31 4.351 2.362 5.698 1.00 0.00 H new ATOM 0 HA ASN A 31 3.631 -0.348 6.543 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.981 2.066 7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.237 1.957 7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.610 0.203 10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.912 1.774 10.113 1.00 0.00 H new ATOM 434 N ILE A 32 0.997 0.010 6.243 1.00 0.00 N ATOM 435 CA ILE A 32 -0.340 -0.034 5.676 1.00 0.00 C ATOM 436 C ILE A 32 -1.370 -0.026 6.808 1.00 0.00 C ATOM 437 O ILE A 32 -1.076 -0.456 7.922 1.00 0.00 O ATOM 438 CB ILE A 32 -0.480 -1.225 4.726 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.177 -2.476 5.314 1.00 0.00 C ATOM 440 CG2 ILE A 32 0.071 -0.888 3.339 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.585 -3.739 4.906 1.00 0.00 C ATOM 0 H ILE A 32 1.122 -0.551 7.086 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.526 0.852 5.069 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.541 -1.443 4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.210 -2.544 4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.206 -2.399 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.041 -1.752 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.480 -0.044 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.126 -0.628 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.097 -4.613 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.610 -3.679 5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.591 -3.825 3.819 1.00 0.00 H new ATOM 453 N VAL A 33 -2.556 0.467 6.482 1.00 0.00 N ATOM 454 CA VAL A 33 -3.630 0.536 7.458 1.00 0.00 C ATOM 455 C VAL A 33 -4.951 0.162 6.782 1.00 0.00 C ATOM 456 O VAL A 33 -4.997 -0.039 5.570 1.00 0.00 O ATOM 457 CB VAL A 33 -3.662 1.923 8.104 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.259 2.360 8.531 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.295 2.951 7.165 1.00 0.00 C ATOM 0 H VAL A 33 -2.796 0.822 5.557 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.461 -0.179 8.263 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.281 1.862 8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.309 3.349 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.860 1.647 9.253 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.608 2.396 7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.305 3.928 7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.715 3.008 6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.317 2.651 6.932 1.00 0.00 H new ATOM 469 N GLY A 34 -5.993 0.078 7.597 1.00 0.00 N ATOM 470 CA GLY A 34 -7.311 -0.269 7.093 1.00 0.00 C ATOM 471 C GLY A 34 -7.695 -1.693 7.498 1.00 0.00 C ATOM 472 O GLY A 34 -7.047 -2.295 8.354 1.00 0.00 O ATOM 0 H GLY A 34 -5.951 0.244 8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.049 0.434 7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.324 -0.180 6.007 1.00 0.00 H new ATOM 476 N GLY A 35 -8.746 -2.191 6.865 1.00 0.00 N ATOM 477 CA GLY A 35 -9.224 -3.534 7.148 1.00 0.00 C ATOM 478 C GLY A 35 -10.386 -3.503 8.143 1.00 0.00 C ATOM 479 O GLY A 35 -10.498 -4.379 9.000 1.00 0.00 O ATOM 0 H GLY A 35 -9.281 -1.689 6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.545 -4.012 6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.410 -4.136 7.552 1.00 0.00 H new ATOM 483 N GLU A 36 -11.223 -2.486 7.996 1.00 0.00 N ATOM 484 CA GLU A 36 -12.373 -2.330 8.871 1.00 0.00 C ATOM 485 C GLU A 36 -13.652 -2.187 8.045 1.00 0.00 C ATOM 486 O GLU A 36 -13.809 -1.221 7.299 1.00 0.00 O ATOM 487 CB GLU A 36 -12.189 -1.137 9.810 1.00 0.00 C ATOM 488 CG GLU A 36 -10.906 -1.277 10.631 1.00 0.00 C ATOM 489 CD GLU A 36 -11.087 -0.696 12.035 1.00 0.00 C ATOM 490 OE1 GLU A 36 -12.027 -1.152 12.721 1.00 0.00 O ATOM 491 OE2 GLU A 36 -10.281 0.191 12.390 1.00 0.00 O ATOM 0 H GLU A 36 -11.128 -1.762 7.284 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.461 -3.225 9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.155 -0.215 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.046 -1.061 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.628 -2.329 10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.088 -0.765 10.124 1.00 0.00 H new ATOM 498 N ASP A 37 -14.535 -3.162 8.205 1.00 0.00 N ATOM 499 CA ASP A 37 -15.796 -3.156 7.483 1.00 0.00 C ATOM 500 C ASP A 37 -15.543 -2.764 6.026 1.00 0.00 C ATOM 501 O ASP A 37 -16.334 -2.036 5.429 1.00 0.00 O ATOM 502 CB ASP A 37 -16.770 -2.141 8.084 1.00 0.00 C ATOM 503 CG ASP A 37 -17.453 -2.587 9.378 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.496 -3.266 9.264 1.00 0.00 O ATOM 505 OD2 ASP A 37 -16.916 -2.239 10.452 1.00 0.00 O ATOM 0 H ASP A 37 -14.402 -3.962 8.824 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.228 -4.154 7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.231 -1.213 8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.538 -1.916 7.344 1.00 0.00 H new ATOM 510 N GLY A 38 -14.437 -3.265 5.495 1.00 0.00 N ATOM 511 CA GLY A 38 -14.070 -2.976 4.120 1.00 0.00 C ATOM 512 C GLY A 38 -14.074 -1.469 3.856 1.00 0.00 C ATOM 513 O GLY A 38 -14.862 -0.978 3.049 1.00 0.00 O ATOM 0 H GLY A 38 -13.783 -3.869 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.081 -3.383 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.767 -3.469 3.443 1.00 0.00 H new ATOM 517 N GLU A 39 -13.184 -0.776 4.552 1.00 0.00 N ATOM 518 CA GLU A 39 -13.075 0.665 4.403 1.00 0.00 C ATOM 519 C GLU A 39 -12.017 1.012 3.354 1.00 0.00 C ATOM 520 O GLU A 39 -12.113 2.041 2.687 1.00 0.00 O ATOM 521 CB GLU A 39 -12.759 1.332 5.743 1.00 0.00 C ATOM 522 CG GLU A 39 -11.313 1.058 6.164 1.00 0.00 C ATOM 523 CD GLU A 39 -10.457 2.320 6.040 1.00 0.00 C ATOM 524 OE1 GLU A 39 -10.974 3.396 6.412 1.00 0.00 O ATOM 525 OE2 GLU A 39 -9.305 2.181 5.575 1.00 0.00 O ATOM 0 H GLU A 39 -12.532 -1.186 5.221 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.036 1.049 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.922 2.407 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.441 0.961 6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.292 0.700 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.893 0.267 5.542 1.00 0.00 H new ATOM 532 N GLY A 40 -11.031 0.134 3.242 1.00 0.00 N ATOM 533 CA GLY A 40 -9.956 0.335 2.285 1.00 0.00 C ATOM 534 C GLY A 40 -8.590 0.146 2.948 1.00 0.00 C ATOM 535 O GLY A 40 -8.508 -0.275 4.101 1.00 0.00 O ATOM 0 H GLY A 40 -10.954 -0.718 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.064 -0.368 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.023 1.337 1.862 1.00 0.00 H new ATOM 539 N ILE A 41 -7.551 0.467 2.192 1.00 0.00 N ATOM 540 CA ILE A 41 -6.193 0.339 2.691 1.00 0.00 C ATOM 541 C ILE A 41 -5.425 1.631 2.407 1.00 0.00 C ATOM 542 O ILE A 41 -5.515 2.183 1.312 1.00 0.00 O ATOM 543 CB ILE A 41 -5.526 -0.912 2.115 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.423 -2.140 2.286 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.140 -1.126 2.727 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.347 -2.680 3.715 1.00 0.00 C ATOM 0 H ILE A 41 -7.623 0.816 1.236 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.197 0.201 3.772 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.386 -0.762 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.454 -1.878 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.120 -2.916 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.688 -2.022 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.510 -0.263 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.233 -1.246 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.994 -3.552 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.319 -2.964 3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.674 -1.909 4.413 1.00 0.00 H new ATOM 558 N PHE A 42 -4.686 2.076 3.413 1.00 0.00 N ATOM 559 CA PHE A 42 -3.903 3.293 3.286 1.00 0.00 C ATOM 560 C PHE A 42 -2.525 3.129 3.929 1.00 0.00 C ATOM 561 O PHE A 42 -2.342 2.286 4.806 1.00 0.00 O ATOM 562 CB PHE A 42 -4.667 4.396 4.021 1.00 0.00 C ATOM 563 CG PHE A 42 -6.059 4.675 3.450 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.100 3.858 3.766 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.256 5.740 2.627 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.392 4.117 3.236 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.548 5.999 2.097 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.588 5.182 2.413 1.00 0.00 C ATOM 0 H PHE A 42 -4.613 1.615 4.320 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.757 3.532 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.765 4.119 5.071 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.081 5.314 3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.944 3.013 4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.430 6.389 2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.219 3.469 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.704 6.844 1.443 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.571 5.379 2.010 1.00 0.00 H new ATOM 578 N VAL A 43 -1.590 3.947 3.468 1.00 0.00 N ATOM 579 CA VAL A 43 -0.234 3.903 3.988 1.00 0.00 C ATOM 580 C VAL A 43 -0.195 4.584 5.357 1.00 0.00 C ATOM 581 O VAL A 43 -0.790 5.644 5.544 1.00 0.00 O ATOM 582 CB VAL A 43 0.733 4.528 2.981 1.00 0.00 C ATOM 583 CG1 VAL A 43 2.094 4.800 3.624 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.879 3.645 1.740 1.00 0.00 C ATOM 0 H VAL A 43 -1.745 4.644 2.740 1.00 0.00 H new ATOM 0 HA VAL A 43 0.088 2.871 4.129 1.00 0.00 H new ATOM 0 HB VAL A 43 0.315 5.484 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.763 5.244 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.970 5.486 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.521 3.863 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.572 4.112 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.263 2.667 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.093 3.525 1.262 1.00 0.00 H new ATOM 594 N SER A 44 0.512 3.948 6.279 1.00 0.00 N ATOM 595 CA SER A 44 0.637 4.479 7.626 1.00 0.00 C ATOM 596 C SER A 44 1.991 5.172 7.791 1.00 0.00 C ATOM 597 O SER A 44 2.193 5.930 8.739 1.00 0.00 O ATOM 598 CB SER A 44 0.475 3.374 8.672 1.00 0.00 C ATOM 599 OG SER A 44 1.650 3.211 9.462 1.00 0.00 O ATOM 0 H SER A 44 1.005 3.069 6.120 1.00 0.00 H new ATOM 0 HA SER A 44 -0.159 5.208 7.781 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.368 3.610 9.321 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.240 2.434 8.173 1.00 0.00 H new ATOM 0 HG SER A 44 1.506 2.498 10.119 1.00 0.00 H new ATOM 605 N PHE A 45 2.884 4.888 6.855 1.00 0.00 N ATOM 606 CA PHE A 45 4.213 5.474 6.885 1.00 0.00 C ATOM 607 C PHE A 45 5.052 4.992 5.700 1.00 0.00 C ATOM 608 O PHE A 45 4.739 3.973 5.086 1.00 0.00 O ATOM 609 CB PHE A 45 4.876 5.014 8.185 1.00 0.00 C ATOM 610 CG PHE A 45 6.399 5.162 8.193 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.967 6.327 8.605 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.184 4.128 7.789 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.380 6.464 8.613 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.598 4.265 7.797 1.00 0.00 C ATOM 615 CZ PHE A 45 9.166 5.430 8.209 1.00 0.00 C ATOM 0 H PHE A 45 2.713 4.259 6.070 1.00 0.00 H new ATOM 0 HA PHE A 45 4.142 6.560 6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.461 5.586 9.015 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.622 3.969 8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.343 7.148 8.926 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.733 3.203 7.462 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.831 7.389 8.940 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.222 3.444 7.476 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.241 5.534 8.215 1.00 0.00 H new ATOM 625 N ILE A 46 6.103 5.747 5.414 1.00 0.00 N ATOM 626 CA ILE A 46 6.989 5.410 4.313 1.00 0.00 C ATOM 627 C ILE A 46 8.435 5.396 4.814 1.00 0.00 C ATOM 628 O ILE A 46 8.913 6.385 5.367 1.00 0.00 O ATOM 629 CB ILE A 46 6.757 6.351 3.130 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.319 6.246 2.619 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.780 6.100 2.020 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.219 5.246 1.465 1.00 0.00 C ATOM 0 H ILE A 46 6.361 6.591 5.926 1.00 0.00 H new ATOM 0 HA ILE A 46 6.770 4.409 3.941 1.00 0.00 H new ATOM 0 HB ILE A 46 6.902 7.375 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.662 5.936 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.975 7.225 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.592 6.782 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.785 6.267 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.692 5.071 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.186 5.190 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.858 5.572 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.541 4.262 1.807 1.00 0.00 H new ATOM 644 N LEU A 47 9.090 4.264 4.603 1.00 0.00 N ATOM 645 CA LEU A 47 10.472 4.109 5.026 1.00 0.00 C ATOM 646 C LEU A 47 11.306 5.262 4.464 1.00 0.00 C ATOM 647 O LEU A 47 10.936 5.867 3.458 1.00 0.00 O ATOM 648 CB LEU A 47 10.998 2.725 4.642 1.00 0.00 C ATOM 649 CG LEU A 47 12.416 2.392 5.109 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.409 1.857 6.542 1.00 0.00 C ATOM 651 CD2 LEU A 47 13.101 1.427 4.140 1.00 0.00 C ATOM 0 H LEU A 47 8.690 3.445 4.145 1.00 0.00 H new ATOM 0 HA LEU A 47 10.546 4.162 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.318 1.975 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.964 2.634 3.556 1.00 0.00 H new ATOM 0 HG LEU A 47 13.000 3.313 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.429 1.628 6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.989 2.610 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.804 0.952 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.107 1.207 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.527 0.502 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.157 1.883 3.152 1.00 0.00 H new ATOM 663 N ALA A 48 12.415 5.531 5.136 1.00 0.00 N ATOM 664 CA ALA A 48 13.304 6.601 4.716 1.00 0.00 C ATOM 665 C ALA A 48 14.391 6.026 3.805 1.00 0.00 C ATOM 666 O ALA A 48 15.114 5.111 4.196 1.00 0.00 O ATOM 667 CB ALA A 48 13.885 7.296 5.949 1.00 0.00 C ATOM 0 H ALA A 48 12.719 5.026 5.969 1.00 0.00 H new ATOM 0 HA ALA A 48 12.758 7.352 4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.552 8.099 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.075 7.712 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.443 6.574 6.545 1.00 0.00 H new ATOM 673 N GLY A 49 14.472 6.587 2.607 1.00 0.00 N ATOM 674 CA GLY A 49 15.458 6.142 1.638 1.00 0.00 C ATOM 675 C GLY A 49 15.045 4.810 1.008 1.00 0.00 C ATOM 676 O GLY A 49 15.751 4.280 0.151 1.00 0.00 O ATOM 0 H GLY A 49 13.871 7.346 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.574 6.896 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.428 6.033 2.124 1.00 0.00 H new ATOM 680 N GLY A 50 13.904 4.308 1.457 1.00 0.00 N ATOM 681 CA GLY A 50 13.390 3.048 0.948 1.00 0.00 C ATOM 682 C GLY A 50 12.882 3.203 -0.487 1.00 0.00 C ATOM 683 O GLY A 50 13.041 4.261 -1.095 1.00 0.00 O ATOM 0 H GLY A 50 13.321 4.751 2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.174 2.292 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.581 2.696 1.588 1.00 0.00 H new ATOM 687 N PRO A 51 12.266 2.105 -1.001 1.00 0.00 N ATOM 688 CA PRO A 51 11.734 2.108 -2.353 1.00 0.00 C ATOM 689 C PRO A 51 10.436 2.915 -2.430 1.00 0.00 C ATOM 690 O PRO A 51 10.179 3.591 -3.425 1.00 0.00 O ATOM 691 CB PRO A 51 11.544 0.642 -2.704 1.00 0.00 C ATOM 692 CG PRO A 51 11.534 -0.106 -1.381 1.00 0.00 C ATOM 693 CD PRO A 51 12.060 0.835 -0.310 1.00 0.00 C ATOM 0 HA PRO A 51 12.401 2.591 -3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.611 0.488 -3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.349 0.287 -3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.524 -0.436 -1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.155 -0.999 -1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.348 0.941 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.989 0.464 0.122 1.00 0.00 H new ATOM 701 N ALA A 52 9.653 2.817 -1.366 1.00 0.00 N ATOM 702 CA ALA A 52 8.388 3.529 -1.300 1.00 0.00 C ATOM 703 C ALA A 52 8.658 5.030 -1.175 1.00 0.00 C ATOM 704 O ALA A 52 7.808 5.849 -1.522 1.00 0.00 O ATOM 705 CB ALA A 52 7.556 2.988 -0.135 1.00 0.00 C ATOM 0 H ALA A 52 9.870 2.255 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 52 7.812 3.372 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.607 3.523 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.366 1.925 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.101 3.130 0.798 1.00 0.00 H new ATOM 711 N ASP A 53 9.845 5.345 -0.678 1.00 0.00 N ATOM 712 CA ASP A 53 10.239 6.733 -0.503 1.00 0.00 C ATOM 713 C ASP A 53 11.008 7.201 -1.740 1.00 0.00 C ATOM 714 O ASP A 53 10.629 8.182 -2.377 1.00 0.00 O ATOM 715 CB ASP A 53 11.153 6.897 0.713 1.00 0.00 C ATOM 716 CG ASP A 53 12.111 8.088 0.645 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.607 9.228 0.740 1.00 0.00 O ATOM 718 OD2 ASP A 53 13.326 7.832 0.501 1.00 0.00 O ATOM 0 H ASP A 53 10.547 4.663 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 53 9.335 7.324 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.533 6.999 1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.738 5.986 0.835 1.00 0.00 H new ATOM 723 N LEU A 54 12.075 6.476 -2.043 1.00 0.00 N ATOM 724 CA LEU A 54 12.901 6.805 -3.192 1.00 0.00 C ATOM 725 C LEU A 54 12.004 7.050 -4.406 1.00 0.00 C ATOM 726 O LEU A 54 12.056 8.117 -5.016 1.00 0.00 O ATOM 727 CB LEU A 54 13.960 5.723 -3.417 1.00 0.00 C ATOM 728 CG LEU A 54 15.164 5.756 -2.474 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.262 4.804 -2.953 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.682 7.185 -2.297 1.00 0.00 C ATOM 0 H LEU A 54 12.386 5.662 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 54 13.454 7.727 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.480 4.749 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.324 5.806 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 54 14.840 5.407 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.106 4.847 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.872 3.787 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.591 5.100 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.538 7.181 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 54 15.985 7.585 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.893 7.809 -1.878 1.00 0.00 H new ATOM 742 N SER A 55 11.201 6.044 -4.722 1.00 0.00 N ATOM 743 CA SER A 55 10.294 6.136 -5.852 1.00 0.00 C ATOM 744 C SER A 55 9.703 7.545 -5.935 1.00 0.00 C ATOM 745 O SER A 55 9.625 8.127 -7.017 1.00 0.00 O ATOM 746 CB SER A 55 9.175 5.098 -5.748 1.00 0.00 C ATOM 747 OG SER A 55 8.237 5.425 -4.726 1.00 0.00 O ATOM 0 H SER A 55 11.160 5.160 -4.214 1.00 0.00 H new ATOM 0 HA SER A 55 10.860 5.931 -6.761 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.658 5.025 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.607 4.118 -5.544 1.00 0.00 H new ATOM 0 HG SER A 55 8.493 4.978 -3.892 1.00 0.00 H new ATOM 753 N GLY A 56 9.303 8.054 -4.779 1.00 0.00 N ATOM 754 CA GLY A 56 8.722 9.384 -4.707 1.00 0.00 C ATOM 755 C GLY A 56 7.214 9.337 -4.959 1.00 0.00 C ATOM 756 O GLY A 56 6.499 10.288 -4.645 1.00 0.00 O ATOM 0 H GLY A 56 9.370 7.569 -3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.917 9.818 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.197 10.033 -5.443 1.00 0.00 H new ATOM 760 N GLU A 57 6.774 8.222 -5.524 1.00 0.00 N ATOM 761 CA GLU A 57 5.364 8.040 -5.822 1.00 0.00 C ATOM 762 C GLU A 57 4.600 7.652 -4.554 1.00 0.00 C ATOM 763 O GLU A 57 3.621 8.303 -4.191 1.00 0.00 O ATOM 764 CB GLU A 57 5.166 6.995 -6.922 1.00 0.00 C ATOM 765 CG GLU A 57 6.107 7.256 -8.101 1.00 0.00 C ATOM 766 CD GLU A 57 5.540 6.668 -9.395 1.00 0.00 C ATOM 767 OE1 GLU A 57 5.293 5.443 -9.401 1.00 0.00 O ATOM 768 OE2 GLU A 57 5.367 7.457 -10.349 1.00 0.00 O ATOM 0 H GLU A 57 7.370 7.436 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 57 4.965 8.986 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.349 5.999 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.132 7.015 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.258 8.329 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.084 6.818 -7.895 1.00 0.00 H new ATOM 775 N LEU A 58 5.075 6.593 -3.916 1.00 0.00 N ATOM 776 CA LEU A 58 4.449 6.110 -2.697 1.00 0.00 C ATOM 777 C LEU A 58 4.712 7.105 -1.565 1.00 0.00 C ATOM 778 O LEU A 58 5.863 7.416 -1.262 1.00 0.00 O ATOM 779 CB LEU A 58 4.913 4.686 -2.383 1.00 0.00 C ATOM 780 CG LEU A 58 4.049 3.902 -1.393 1.00 0.00 C ATOM 781 CD1 LEU A 58 2.618 4.442 -1.367 1.00 0.00 C ATOM 782 CD2 LEU A 58 4.090 2.403 -1.697 1.00 0.00 C ATOM 0 H LEU A 58 5.887 6.055 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 58 3.368 6.048 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.959 4.126 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.928 4.734 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 58 4.464 4.040 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.025 3.867 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.630 5.490 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.178 4.354 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.468 1.869 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.715 2.226 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.117 2.045 -1.624 1.00 0.00 H new ATOM 794 N ARG A 59 3.626 7.578 -0.971 1.00 0.00 N ATOM 795 CA ARG A 59 3.726 8.532 0.121 1.00 0.00 C ATOM 796 C ARG A 59 2.730 8.177 1.228 1.00 0.00 C ATOM 797 O ARG A 59 1.675 7.605 0.958 1.00 0.00 O ATOM 798 CB ARG A 59 3.451 9.956 -0.365 1.00 0.00 C ATOM 799 CG ARG A 59 4.408 10.344 -1.494 1.00 0.00 C ATOM 800 CD ARG A 59 4.696 11.847 -1.476 1.00 0.00 C ATOM 801 NE ARG A 59 6.145 12.087 -1.659 1.00 0.00 N ATOM 802 CZ ARG A 59 6.691 13.299 -1.828 1.00 0.00 C ATOM 803 NH1 ARG A 59 5.911 14.389 -1.838 1.00 0.00 N ATOM 804 NH2 ARG A 59 8.015 13.421 -1.986 1.00 0.00 N ATOM 0 H ARG A 59 2.673 7.319 -1.225 1.00 0.00 H new ATOM 0 HA ARG A 59 4.742 8.484 0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.421 10.033 -0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.559 10.655 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.341 9.790 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.975 10.064 -2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.134 12.343 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.364 12.278 -0.531 1.00 0.00 H new ATOM 0 HE ARG A 59 6.767 11.279 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.903 14.296 -1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.326 15.312 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.608 12.591 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.430 14.344 -2.115 1.00 0.00 H new ATOM 818 N ARG A 60 3.102 8.531 2.449 1.00 0.00 N ATOM 819 CA ARG A 60 2.255 8.257 3.598 1.00 0.00 C ATOM 820 C ARG A 60 0.969 9.082 3.517 1.00 0.00 C ATOM 821 O ARG A 60 0.981 10.284 3.774 1.00 0.00 O ATOM 822 CB ARG A 60 2.979 8.581 4.906 1.00 0.00 C ATOM 823 CG ARG A 60 2.051 8.393 6.108 1.00 0.00 C ATOM 824 CD ARG A 60 2.652 9.020 7.368 1.00 0.00 C ATOM 825 NE ARG A 60 2.596 10.496 7.274 1.00 0.00 N ATOM 826 CZ ARG A 60 2.715 11.320 8.324 1.00 0.00 C ATOM 827 NH1 ARG A 60 2.897 10.818 9.553 1.00 0.00 N ATOM 828 NH2 ARG A 60 2.652 12.647 8.145 1.00 0.00 N ATOM 0 H ARG A 60 3.978 9.005 2.668 1.00 0.00 H new ATOM 0 HA ARG A 60 2.011 7.195 3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.852 7.937 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.342 9.608 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.082 8.846 5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.876 7.330 6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.105 8.682 8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.685 8.694 7.489 1.00 0.00 H new ATOM 0 HE ARG A 60 2.458 10.912 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.945 9.808 9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.988 11.446 10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.513 13.029 7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.743 13.274 8.944 1.00 0.00 H new ATOM 842 N GLY A 61 -0.111 8.402 3.159 1.00 0.00 N ATOM 843 CA GLY A 61 -1.403 9.056 3.042 1.00 0.00 C ATOM 844 C GLY A 61 -2.209 8.473 1.880 1.00 0.00 C ATOM 845 O GLY A 61 -3.433 8.587 1.850 1.00 0.00 O ATOM 0 H GLY A 61 -0.117 7.404 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.960 8.937 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.261 10.126 2.890 1.00 0.00 H new ATOM 849 N ASP A 62 -1.489 7.862 0.950 1.00 0.00 N ATOM 850 CA ASP A 62 -2.123 7.261 -0.212 1.00 0.00 C ATOM 851 C ASP A 62 -3.082 6.162 0.247 1.00 0.00 C ATOM 852 O ASP A 62 -3.125 5.824 1.429 1.00 0.00 O ATOM 853 CB ASP A 62 -1.084 6.626 -1.138 1.00 0.00 C ATOM 854 CG ASP A 62 -0.855 7.366 -2.457 1.00 0.00 C ATOM 855 OD1 ASP A 62 -1.575 7.038 -3.425 1.00 0.00 O ATOM 856 OD2 ASP A 62 0.035 8.244 -2.468 1.00 0.00 O ATOM 0 H ASP A 62 -0.474 7.770 0.977 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.655 8.046 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.135 6.562 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.394 5.605 -1.361 1.00 0.00 H new ATOM 861 N ARG A 63 -3.829 5.634 -0.711 1.00 0.00 N ATOM 862 CA ARG A 63 -4.786 4.580 -0.420 1.00 0.00 C ATOM 863 C ARG A 63 -4.511 3.357 -1.298 1.00 0.00 C ATOM 864 O ARG A 63 -4.807 3.366 -2.492 1.00 0.00 O ATOM 865 CB ARG A 63 -6.220 5.057 -0.656 1.00 0.00 C ATOM 866 CG ARG A 63 -7.224 3.937 -0.374 1.00 0.00 C ATOM 867 CD ARG A 63 -8.403 4.000 -1.347 1.00 0.00 C ATOM 868 NE ARG A 63 -9.651 4.302 -0.611 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.078 5.542 -0.333 1.00 0.00 C ATOM 870 NH1 ARG A 63 -9.360 6.602 -0.728 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.223 5.721 0.340 1.00 0.00 N ATOM 0 H ARG A 63 -3.791 5.917 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.674 4.311 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.433 5.911 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.329 5.397 -1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.729 2.970 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.588 4.019 0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.222 4.765 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.502 3.051 -1.873 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.222 3.518 -0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.489 6.465 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.685 7.545 -0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.769 4.914 0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.548 6.664 0.552 1.00 0.00 H new ATOM 885 N ILE A 64 -3.949 2.334 -0.672 1.00 0.00 N ATOM 886 CA ILE A 64 -3.631 1.106 -1.381 1.00 0.00 C ATOM 887 C ILE A 64 -4.922 0.481 -1.914 1.00 0.00 C ATOM 888 O ILE A 64 -5.842 0.199 -1.147 1.00 0.00 O ATOM 889 CB ILE A 64 -2.816 0.167 -0.489 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.561 0.865 0.038 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.484 -1.134 -1.221 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.514 1.020 -1.067 1.00 0.00 C ATOM 0 H ILE A 64 -3.706 2.330 0.319 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.999 1.317 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.425 -0.097 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.825 1.846 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.141 0.291 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.904 -1.783 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.408 -1.637 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.903 -0.910 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.368 1.519 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.234 0.036 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.929 1.615 -1.880 1.00 0.00 H new ATOM 904 N LEU A 65 -4.950 0.284 -3.224 1.00 0.00 N ATOM 905 CA LEU A 65 -6.113 -0.303 -3.868 1.00 0.00 C ATOM 906 C LEU A 65 -5.853 -1.788 -4.126 1.00 0.00 C ATOM 907 O LEU A 65 -6.637 -2.640 -3.713 1.00 0.00 O ATOM 908 CB LEU A 65 -6.482 0.485 -5.126 1.00 0.00 C ATOM 909 CG LEU A 65 -7.159 1.838 -4.896 1.00 0.00 C ATOM 910 CD1 LEU A 65 -7.005 2.743 -6.120 1.00 0.00 C ATOM 911 CD2 LEU A 65 -8.625 1.657 -4.497 1.00 0.00 C ATOM 0 H LEU A 65 -4.186 0.520 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.983 -0.241 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.574 0.649 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.143 -0.131 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.658 2.334 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.495 3.698 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.946 2.911 -6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.464 2.265 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.082 2.634 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.156 1.131 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.682 1.077 -3.576 1.00 0.00 H new ATOM 923 N SER A 66 -4.748 -2.052 -4.809 1.00 0.00 N ATOM 924 CA SER A 66 -4.375 -3.420 -5.127 1.00 0.00 C ATOM 925 C SER A 66 -2.871 -3.613 -4.924 1.00 0.00 C ATOM 926 O SER A 66 -2.114 -2.643 -4.903 1.00 0.00 O ATOM 927 CB SER A 66 -4.767 -3.778 -6.562 1.00 0.00 C ATOM 928 OG SER A 66 -4.462 -2.728 -7.477 1.00 0.00 O ATOM 0 H SER A 66 -4.100 -1.342 -5.151 1.00 0.00 H new ATOM 0 HA SER A 66 -4.914 -4.087 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.245 -4.686 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.834 -3.996 -6.603 1.00 0.00 H new ATOM 0 HG SER A 66 -4.726 -2.996 -8.382 1.00 0.00 H new ATOM 934 N VAL A 67 -2.481 -4.871 -4.780 1.00 0.00 N ATOM 935 CA VAL A 67 -1.081 -5.203 -4.580 1.00 0.00 C ATOM 936 C VAL A 67 -0.631 -6.177 -5.671 1.00 0.00 C ATOM 937 O VAL A 67 -0.996 -7.351 -5.649 1.00 0.00 O ATOM 938 CB VAL A 67 -0.870 -5.750 -3.166 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.393 -6.611 -3.094 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.820 -4.615 -2.141 1.00 0.00 C ATOM 0 H VAL A 67 -3.111 -5.673 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.461 -4.311 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.722 -6.385 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.520 -6.987 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.301 -7.450 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.260 -6.010 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.669 -5.031 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.004 -3.943 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.759 -4.062 -2.165 1.00 0.00 H new ATOM 950 N ASN A 68 0.155 -5.653 -6.599 1.00 0.00 N ATOM 951 CA ASN A 68 0.659 -6.461 -7.697 1.00 0.00 C ATOM 952 C ASN A 68 -0.467 -6.705 -8.703 1.00 0.00 C ATOM 953 O ASN A 68 -0.324 -6.399 -9.886 1.00 0.00 O ATOM 954 CB ASN A 68 1.150 -7.822 -7.198 1.00 0.00 C ATOM 955 CG ASN A 68 2.534 -8.146 -7.764 1.00 0.00 C ATOM 956 OD1 ASN A 68 2.954 -7.626 -8.785 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.218 -9.032 -7.046 1.00 0.00 N ATOM 0 H ASN A 68 0.456 -4.678 -6.614 1.00 0.00 H new ATOM 0 HA ASN A 68 1.488 -5.925 -8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.190 -7.821 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.443 -8.598 -7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.153 -9.314 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.808 -9.429 -6.201 1.00 0.00 H new ATOM 964 N GLY A 69 -1.562 -7.254 -8.197 1.00 0.00 N ATOM 965 CA GLY A 69 -2.711 -7.542 -9.038 1.00 0.00 C ATOM 966 C GLY A 69 -3.835 -8.190 -8.226 1.00 0.00 C ATOM 967 O GLY A 69 -4.551 -9.054 -8.731 1.00 0.00 O ATOM 0 H GLY A 69 -1.677 -7.507 -7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.072 -6.621 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.415 -8.206 -9.850 1.00 0.00 H new ATOM 971 N VAL A 70 -3.954 -7.748 -6.983 1.00 0.00 N ATOM 972 CA VAL A 70 -4.978 -8.274 -6.097 1.00 0.00 C ATOM 973 C VAL A 70 -5.949 -7.152 -5.723 1.00 0.00 C ATOM 974 O VAL A 70 -5.539 -6.006 -5.545 1.00 0.00 O ATOM 975 CB VAL A 70 -4.328 -8.933 -4.879 1.00 0.00 C ATOM 976 CG1 VAL A 70 -3.747 -7.881 -3.932 1.00 0.00 C ATOM 977 CG2 VAL A 70 -5.323 -9.838 -4.149 1.00 0.00 C ATOM 0 H VAL A 70 -3.358 -7.031 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.556 -9.050 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.506 -9.556 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.291 -8.376 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.992 -7.296 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.544 -7.221 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.836 -10.294 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.174 -9.246 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.669 -10.619 -4.826 1.00 0.00 H new ATOM 987 N ASN A 71 -7.217 -7.521 -5.615 1.00 0.00 N ATOM 988 CA ASN A 71 -8.248 -6.559 -5.265 1.00 0.00 C ATOM 989 C ASN A 71 -8.387 -6.497 -3.743 1.00 0.00 C ATOM 990 O ASN A 71 -8.980 -7.385 -3.133 1.00 0.00 O ATOM 991 CB ASN A 71 -9.603 -6.969 -5.846 1.00 0.00 C ATOM 992 CG ASN A 71 -10.539 -5.764 -5.960 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.167 -4.699 -6.423 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.770 -5.991 -5.512 1.00 0.00 N ATOM 0 H ASN A 71 -7.554 -8.472 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.958 -5.591 -5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.460 -7.417 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.059 -7.729 -5.212 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.469 -5.249 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.015 -6.907 -5.136 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.828 -5.439 -3.173 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.881 -5.249 -1.733 1.00 0.00 C ATOM 1003 C LEU A 72 -8.749 -4.029 -1.416 1.00 0.00 C ATOM 1004 O LEU A 72 -8.725 -3.520 -0.297 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.469 -5.167 -1.151 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.502 -6.273 -1.579 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.048 -5.821 -1.420 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.785 -7.572 -0.822 1.00 0.00 C ATOM 0 H LEU A 72 -7.336 -4.705 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.349 -6.108 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.037 -4.206 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.544 -5.178 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.662 -6.477 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.381 -6.625 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.870 -4.942 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.856 -5.574 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.084 -8.342 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.669 -7.402 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.804 -7.899 -1.029 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.495 -3.596 -2.422 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.369 -2.446 -2.264 1.00 0.00 C ATOM 1022 C ARG A 73 -11.123 -2.531 -0.935 1.00 0.00 C ATOM 1023 O ARG A 73 -11.325 -1.519 -0.266 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.378 -2.359 -3.411 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.005 -1.240 -4.386 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.918 -1.256 -5.613 1.00 0.00 C ATOM 1027 NE ARG A 73 -13.305 -0.925 -5.216 1.00 0.00 N ATOM 1028 CZ ARG A 73 -13.768 0.324 -5.073 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -12.957 1.368 -5.292 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -15.041 0.529 -4.709 1.00 0.00 N ATOM 0 H ARG A 73 -9.512 -4.021 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.746 -1.552 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.414 -3.311 -3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.375 -2.179 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.081 -0.275 -3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.967 -1.356 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.561 -0.538 -6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.890 -2.238 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.949 -1.696 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.987 1.212 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.309 2.319 -5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.658 -0.266 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.393 1.480 -4.600 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.520 -3.748 -0.593 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.247 -3.978 0.643 1.00 0.00 C ATOM 1046 C ASN A 74 -11.734 -5.261 1.301 1.00 0.00 C ATOM 1047 O ASN A 74 -12.521 -6.137 1.657 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.744 -4.149 0.377 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.296 -2.972 -0.429 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.752 -3.114 -1.552 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.229 -1.804 0.204 1.00 0.00 N ATOM 0 H ASN A 74 -11.352 -4.585 -1.151 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.092 -3.116 1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.917 -5.079 -0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.278 -4.228 1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.571 -0.957 -0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.835 -1.755 1.144 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.419 -5.330 1.441 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.792 -6.491 2.050 1.00 0.00 C ATOM 1060 C ALA A 75 -9.305 -6.126 3.454 1.00 0.00 C ATOM 1061 O ALA A 75 -9.247 -4.949 3.808 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.658 -6.989 1.151 1.00 0.00 C ATOM 0 H ALA A 75 -9.770 -4.601 1.143 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.510 -7.305 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.187 -7.860 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.060 -7.263 0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.917 -6.199 1.028 1.00 0.00 H new ATOM 1068 N THR A 76 -8.969 -7.157 4.216 1.00 0.00 N ATOM 1069 CA THR A 76 -8.490 -6.959 5.573 1.00 0.00 C ATOM 1070 C THR A 76 -7.064 -6.405 5.560 1.00 0.00 C ATOM 1071 O THR A 76 -6.446 -6.297 4.502 1.00 0.00 O ATOM 1072 CB THR A 76 -8.618 -8.289 6.318 1.00 0.00 C ATOM 1073 OG1 THR A 76 -7.925 -9.219 5.491 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.057 -8.810 6.342 1.00 0.00 C ATOM 0 H THR A 76 -9.019 -8.132 3.919 1.00 0.00 H new ATOM 0 HA THR A 76 -9.089 -6.216 6.099 1.00 0.00 H new ATOM 0 HB THR A 76 -8.259 -8.169 7.340 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.255 -9.695 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.093 -9.756 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.699 -8.083 6.840 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.406 -8.962 5.321 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.583 -6.068 6.747 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.241 -5.528 6.886 1.00 0.00 C ATOM 1084 C HIS A 77 -4.215 -6.604 6.524 1.00 0.00 C ATOM 1085 O HIS A 77 -3.324 -6.368 5.710 1.00 0.00 O ATOM 1086 CB HIS A 77 -5.028 -4.954 8.288 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.864 -3.998 8.390 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.516 -3.363 9.570 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.972 -3.576 7.448 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.461 -2.596 9.337 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -2.126 -2.729 8.021 1.00 0.00 N ATOM 0 H HIS A 77 -7.099 -6.158 7.622 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.106 -4.698 6.193 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.936 -4.439 8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.872 -5.776 8.986 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.957 -3.880 6.412 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.955 -1.975 10.061 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.353 -2.255 7.554 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.375 -7.762 7.146 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.474 -8.875 6.900 1.00 0.00 C ATOM 1101 C GLU A 78 -3.516 -9.275 5.424 1.00 0.00 C ATOM 1102 O GLU A 78 -2.490 -9.624 4.842 1.00 0.00 O ATOM 1103 CB GLU A 78 -3.813 -10.065 7.800 1.00 0.00 C ATOM 1104 CG GLU A 78 -2.561 -10.885 8.119 1.00 0.00 C ATOM 1105 CD GLU A 78 -2.898 -12.068 9.029 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -3.258 -13.128 8.472 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -2.788 -11.886 10.261 1.00 0.00 O ATOM 0 H GLU A 78 -5.116 -7.954 7.820 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.460 -8.556 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.264 -9.708 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.552 -10.698 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.115 -11.249 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.819 -10.249 8.602 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.713 -9.212 4.860 1.00 0.00 N ATOM 1115 CA GLN A 79 -4.903 -9.563 3.463 1.00 0.00 C ATOM 1116 C GLN A 79 -4.036 -8.674 2.570 1.00 0.00 C ATOM 1117 O GLN A 79 -3.307 -9.171 1.712 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.377 -9.466 3.068 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.100 -10.792 3.315 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.507 -10.770 2.714 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -8.696 -10.643 1.515 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.481 -10.899 3.611 1.00 0.00 N ATOM 0 H GLN A 79 -5.562 -8.923 5.346 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.592 -10.598 3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.859 -8.673 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.458 -9.194 2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.527 -11.610 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.161 -10.983 4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.253 -11.002 4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.455 -10.895 3.310 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.143 -7.374 2.801 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.378 -6.410 2.028 1.00 0.00 C ATOM 1133 C ALA A 80 -1.884 -6.683 2.216 1.00 0.00 C ATOM 1134 O ALA A 80 -1.072 -6.323 1.365 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.769 -4.992 2.449 1.00 0.00 C ATOM 0 H ALA A 80 -4.748 -6.965 3.513 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.600 -6.507 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.195 -4.269 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.833 -4.839 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.558 -4.856 3.510 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.567 -7.318 3.335 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.185 -7.643 3.645 1.00 0.00 C ATOM 1143 C ALA A 81 0.178 -8.979 2.995 1.00 0.00 C ATOM 1144 O ALA A 81 1.277 -9.139 2.467 1.00 0.00 O ATOM 1145 CB ALA A 81 0.007 -7.662 5.163 1.00 0.00 C ATOM 0 H ALA A 81 -2.243 -7.616 4.038 1.00 0.00 H new ATOM 0 HA ALA A 81 0.487 -6.886 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.044 -7.906 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.236 -6.682 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.650 -8.412 5.603 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.768 -9.906 3.053 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.561 -11.223 2.477 1.00 0.00 C ATOM 1153 C ALA A 82 -0.320 -11.085 0.972 1.00 0.00 C ATOM 1154 O ALA A 82 0.248 -11.978 0.346 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.764 -12.114 2.795 1.00 0.00 C ATOM 0 H ALA A 82 -1.679 -9.770 3.490 1.00 0.00 H new ATOM 0 HA ALA A 82 0.320 -11.697 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.609 -13.103 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.875 -12.204 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.666 -11.671 2.373 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.764 -9.958 0.436 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.604 -9.690 -0.984 1.00 0.00 C ATOM 1163 C ALA A 83 0.822 -9.203 -1.248 1.00 0.00 C ATOM 1164 O ALA A 83 1.302 -9.260 -2.380 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.659 -8.679 -1.435 1.00 0.00 C ATOM 0 H ALA A 83 -1.235 -9.219 0.959 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.755 -10.599 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.539 -8.478 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.654 -9.085 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.537 -7.752 -0.875 1.00 0.00 H new ATOM 1171 N LEU A 84 1.461 -8.735 -0.186 1.00 0.00 N ATOM 1172 CA LEU A 84 2.822 -8.238 -0.289 1.00 0.00 C ATOM 1173 C LEU A 84 3.799 -9.367 0.044 1.00 0.00 C ATOM 1174 O LEU A 84 4.965 -9.319 -0.344 1.00 0.00 O ATOM 1175 CB LEU A 84 3.005 -6.991 0.578 1.00 0.00 C ATOM 1176 CG LEU A 84 2.448 -5.687 0.003 1.00 0.00 C ATOM 1177 CD1 LEU A 84 2.510 -4.561 1.037 1.00 0.00 C ATOM 1178 CD2 LEU A 84 3.163 -5.312 -1.297 1.00 0.00 C ATOM 0 H LEU A 84 1.061 -8.690 0.751 1.00 0.00 H new ATOM 0 HA LEU A 84 3.035 -7.922 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.531 -7.171 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.070 -6.856 0.766 1.00 0.00 H new ATOM 0 HG LEU A 84 1.397 -5.842 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.108 -3.646 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.921 -4.837 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.546 -4.397 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.748 -4.382 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.227 -5.181 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.023 -6.105 -2.031 1.00 0.00 H new ATOM 1190 N LYS A 85 3.287 -10.357 0.761 1.00 0.00 N ATOM 1191 CA LYS A 85 4.100 -11.497 1.151 1.00 0.00 C ATOM 1192 C LYS A 85 4.127 -12.514 0.009 1.00 0.00 C ATOM 1193 O LYS A 85 5.035 -13.340 -0.070 1.00 0.00 O ATOM 1194 CB LYS A 85 3.608 -12.077 2.479 1.00 0.00 C ATOM 1195 CG LYS A 85 4.275 -11.376 3.664 1.00 0.00 C ATOM 1196 CD LYS A 85 3.228 -10.813 4.628 1.00 0.00 C ATOM 1197 CE LYS A 85 3.838 -9.742 5.535 1.00 0.00 C ATOM 1198 NZ LYS A 85 3.841 -10.195 6.943 1.00 0.00 N ATOM 0 H LYS A 85 2.319 -10.393 1.082 1.00 0.00 H new ATOM 0 HA LYS A 85 5.130 -11.187 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.526 -11.967 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.823 -13.145 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.919 -12.079 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.913 -10.569 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.399 -10.387 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.818 -11.619 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.857 -9.524 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.270 -8.816 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.258 -9.456 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.865 -10.381 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.402 -11.067 7.026 1.00 0.00 H new ATOM 1212 N ARG A 86 3.122 -12.419 -0.849 1.00 0.00 N ATOM 1213 CA ARG A 86 3.020 -13.320 -1.984 1.00 0.00 C ATOM 1214 C ARG A 86 3.658 -12.689 -3.223 1.00 0.00 C ATOM 1215 O ARG A 86 3.882 -13.367 -4.224 1.00 0.00 O ATOM 1216 CB ARG A 86 1.559 -13.659 -2.288 1.00 0.00 C ATOM 1217 CG ARG A 86 0.854 -12.483 -2.969 1.00 0.00 C ATOM 1218 CD ARG A 86 0.533 -12.807 -4.429 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.906 -12.585 -4.693 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.880 -13.411 -4.288 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -1.575 -14.519 -3.598 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -3.159 -13.130 -4.572 1.00 0.00 N ATOM 0 H ARG A 86 2.371 -11.732 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 86 3.549 -14.238 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.512 -14.538 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.041 -13.913 -1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.066 -12.247 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.487 -11.597 -2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.133 -12.181 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.795 -13.842 -4.646 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.173 -11.751 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.602 -14.733 -3.381 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.316 -15.148 -3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.392 -12.287 -5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.900 -13.759 -4.263 1.00 0.00 H new ATOM 1236 N ALA A 87 3.934 -11.398 -3.114 1.00 0.00 N ATOM 1237 CA ALA A 87 4.543 -10.667 -4.213 1.00 0.00 C ATOM 1238 C ALA A 87 5.998 -11.113 -4.372 1.00 0.00 C ATOM 1239 O ALA A 87 6.315 -12.287 -4.189 1.00 0.00 O ATOM 1240 CB ALA A 87 4.418 -9.164 -3.958 1.00 0.00 C ATOM 0 H ALA A 87 3.747 -10.839 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 87 4.028 -10.882 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.875 -8.616 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.365 -8.894 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.925 -8.909 -3.028 1.00 0.00 H new ATOM 1246 N GLY A 88 6.844 -10.151 -4.711 1.00 0.00 N ATOM 1247 CA GLY A 88 8.258 -10.430 -4.897 1.00 0.00 C ATOM 1248 C GLY A 88 9.083 -9.143 -4.837 1.00 0.00 C ATOM 1249 O GLY A 88 8.762 -8.230 -4.077 1.00 0.00 O ATOM 0 H GLY A 88 6.578 -9.178 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.600 -11.122 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.412 -10.921 -5.858 1.00 0.00 H new ATOM 1253 N GLN A 89 10.130 -9.110 -5.648 1.00 0.00 N ATOM 1254 CA GLN A 89 11.003 -7.950 -5.697 1.00 0.00 C ATOM 1255 C GLN A 89 10.270 -6.759 -6.319 1.00 0.00 C ATOM 1256 O GLN A 89 10.248 -5.671 -5.746 1.00 0.00 O ATOM 1257 CB GLN A 89 12.289 -8.263 -6.465 1.00 0.00 C ATOM 1258 CG GLN A 89 13.478 -8.396 -5.511 1.00 0.00 C ATOM 1259 CD GLN A 89 14.769 -7.911 -6.173 1.00 0.00 C ATOM 1260 OE1 GLN A 89 15.203 -6.784 -5.995 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.356 -8.821 -6.945 1.00 0.00 N ATOM 0 H GLN A 89 10.393 -9.869 -6.277 1.00 0.00 H new ATOM 0 HA GLN A 89 11.282 -7.688 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.165 -9.188 -7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.486 -7.473 -7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.289 -7.818 -4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.590 -9.437 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.939 -9.746 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.223 -8.594 -7.432 1.00 0.00 H new ATOM 1270 N SER A 90 9.687 -7.007 -7.483 1.00 0.00 N ATOM 1271 CA SER A 90 8.955 -5.969 -8.188 1.00 0.00 C ATOM 1272 C SER A 90 7.460 -6.080 -7.880 1.00 0.00 C ATOM 1273 O SER A 90 6.740 -6.824 -8.544 1.00 0.00 O ATOM 1274 CB SER A 90 9.193 -6.055 -9.697 1.00 0.00 C ATOM 1275 OG SER A 90 10.116 -7.087 -10.034 1.00 0.00 O ATOM 0 H SER A 90 9.707 -7.911 -7.955 1.00 0.00 H new ATOM 0 HA SER A 90 9.319 -5.001 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.245 -6.237 -10.204 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.570 -5.099 -10.060 1.00 0.00 H new ATOM 0 HG SER A 90 10.240 -7.111 -11.006 1.00 0.00 H new ATOM 1281 N VAL A 91 7.039 -5.331 -6.871 1.00 0.00 N ATOM 1282 CA VAL A 91 5.644 -5.337 -6.467 1.00 0.00 C ATOM 1283 C VAL A 91 4.963 -4.067 -6.981 1.00 0.00 C ATOM 1284 O VAL A 91 5.393 -2.957 -6.669 1.00 0.00 O ATOM 1285 CB VAL A 91 5.540 -5.497 -4.949 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.090 -5.730 -4.520 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.445 -6.627 -4.454 1.00 0.00 C ATOM 0 H VAL A 91 7.640 -4.716 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 91 5.123 -6.187 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 91 5.880 -4.569 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.044 -5.840 -3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.479 -4.880 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.712 -6.636 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.352 -6.720 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.148 -7.564 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.480 -6.403 -4.712 1.00 0.00 H new ATOM 1297 N THR A 92 3.912 -4.272 -7.762 1.00 0.00 N ATOM 1298 CA THR A 92 3.167 -3.157 -8.322 1.00 0.00 C ATOM 1299 C THR A 92 2.008 -2.773 -7.401 1.00 0.00 C ATOM 1300 O THR A 92 0.968 -3.431 -7.399 1.00 0.00 O ATOM 1301 CB THR A 92 2.720 -3.549 -9.732 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.929 -3.911 -10.392 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.200 -2.355 -10.535 1.00 0.00 C ATOM 0 H THR A 92 3.559 -5.193 -8.020 1.00 0.00 H new ATOM 0 HA THR A 92 3.788 -2.264 -8.398 1.00 0.00 H new ATOM 0 HB THR A 92 1.942 -4.309 -9.667 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.731 -4.181 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.896 -2.688 -11.527 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.344 -1.916 -10.022 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.989 -1.608 -10.629 1.00 0.00 H new ATOM 1311 N ILE A 93 2.224 -1.710 -6.642 1.00 0.00 N ATOM 1312 CA ILE A 93 1.210 -1.230 -5.718 1.00 0.00 C ATOM 1313 C ILE A 93 0.460 -0.058 -6.355 1.00 0.00 C ATOM 1314 O ILE A 93 1.062 0.964 -6.681 1.00 0.00 O ATOM 1315 CB ILE A 93 1.835 -0.897 -4.362 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.141 -2.171 -3.572 1.00 0.00 C ATOM 1317 CG2 ILE A 93 0.948 0.068 -3.572 1.00 0.00 C ATOM 1318 CD1 ILE A 93 3.621 -2.542 -3.683 1.00 0.00 C ATOM 0 H ILE A 93 3.087 -1.166 -6.647 1.00 0.00 H new ATOM 0 HA ILE A 93 0.475 -2.010 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 93 2.784 -0.391 -4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.876 -2.026 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.528 -2.991 -3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.415 0.289 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.824 0.992 -4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.027 -0.389 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.812 -3.451 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.877 -2.710 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.230 -1.730 -3.286 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.842 -0.245 -6.512 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.680 0.784 -7.103 1.00 0.00 C ATOM 1332 C VAL A 94 -2.433 1.522 -5.994 1.00 0.00 C ATOM 1333 O VAL A 94 -3.433 1.024 -5.481 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.611 0.164 -8.147 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.518 1.226 -8.772 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.813 -0.576 -9.223 1.00 0.00 C ATOM 0 H VAL A 94 -1.337 -1.094 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.070 1.520 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.245 -0.563 -7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.170 0.759 -9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.125 1.690 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.907 1.987 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.499 -1.007 -9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.143 0.123 -9.724 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.229 -1.371 -8.760 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.922 2.697 -5.658 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.534 3.509 -4.619 1.00 0.00 C ATOM 1348 C ALA A 95 -2.943 4.860 -5.209 1.00 0.00 C ATOM 1349 O ALA A 95 -2.518 5.217 -6.307 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.562 3.655 -3.447 1.00 0.00 C ATOM 0 H ALA A 95 -1.092 3.106 -6.086 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.435 3.029 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.020 4.264 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.325 2.670 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.646 4.136 -3.791 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.765 5.575 -4.454 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.237 6.878 -4.888 1.00 0.00 C ATOM 1358 C GLN A 96 -4.023 7.915 -3.784 1.00 0.00 C ATOM 1359 O GLN A 96 -4.590 7.797 -2.698 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.707 6.818 -5.306 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.560 6.162 -4.218 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.051 6.292 -4.537 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.848 6.740 -3.730 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.381 5.877 -5.757 1.00 0.00 N ATOM 0 H GLN A 96 -4.116 5.276 -3.544 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.658 7.180 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.074 7.825 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.802 6.257 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.294 5.109 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.349 6.627 -3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.663 5.512 -6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.352 5.923 -6.066 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.203 8.907 -4.098 1.00 0.00 N ATOM 1374 CA TYR A 97 -2.907 9.964 -3.145 1.00 0.00 C ATOM 1375 C TYR A 97 -4.193 10.619 -2.636 1.00 0.00 C ATOM 1376 O TYR A 97 -4.744 11.503 -3.290 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.088 11.005 -3.911 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.050 11.733 -3.055 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.340 12.055 -1.744 1.00 0.00 C ATOM 1380 CD2 TYR A 97 0.176 12.068 -3.593 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.363 12.740 -0.938 1.00 0.00 C ATOM 1382 CE2 TYR A 97 1.153 12.753 -2.786 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.835 13.055 -1.499 1.00 0.00 C ATOM 1384 OH TYR A 97 1.758 13.702 -0.738 1.00 0.00 O ATOM 0 H TYR A 97 -2.734 9.001 -4.999 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.374 9.565 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.580 10.514 -4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.767 11.740 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.300 11.793 -1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.403 11.817 -4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.577 12.998 0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.116 13.021 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 97 2.566 13.861 -1.269 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.633 10.159 -1.474 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.843 10.689 -0.869 1.00 0.00 C ATOM 1396 C ARG A 98 -5.614 10.973 0.617 1.00 0.00 C ATOM 1397 O ARG A 98 -5.943 10.148 1.468 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.008 9.709 -1.020 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.352 10.435 -0.920 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.265 10.061 -2.089 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.475 10.913 -2.079 1.00 0.00 N ATOM 1402 CZ ARG A 98 -10.538 12.134 -2.628 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -9.462 12.653 -3.233 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -11.679 12.836 -2.571 1.00 0.00 N ATOM 0 H ARG A 98 -4.173 9.425 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.093 11.616 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.937 9.199 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.946 8.943 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.838 10.180 0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.188 11.513 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.732 10.184 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.549 9.011 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.313 10.548 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.594 12.119 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.510 13.582 -3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.498 12.441 -2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.727 13.765 -2.989 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.036 12.174 0.890 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.759 12.577 2.258 1.00 0.00 C ATOM 1420 C PRO A 99 -6.044 12.992 2.978 1.00 0.00 C ATOM 1421 O PRO A 99 -6.086 13.029 4.207 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.753 13.710 2.138 1.00 0.00 C ATOM 1423 CG PRO A 99 -3.855 14.208 0.706 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.633 13.175 -0.093 1.00 0.00 C ATOM 0 HA PRO A 99 -4.354 11.765 2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.977 14.508 2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.744 13.362 2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.358 15.174 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.862 14.351 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.499 13.622 -0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.017 12.735 -0.877 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.059 13.294 2.182 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.341 13.704 2.729 1.00 0.00 C ATOM 1434 C GLU A 100 -8.972 12.558 3.522 1.00 0.00 C ATOM 1435 O GLU A 100 -9.728 12.793 4.464 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.280 14.186 1.621 1.00 0.00 C ATOM 1437 CG GLU A 100 -8.671 15.364 0.859 1.00 0.00 C ATOM 1438 CD GLU A 100 -9.757 16.333 0.387 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.508 16.814 1.263 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -9.811 16.571 -0.839 1.00 0.00 O ATOM 0 H GLU A 100 -7.020 13.263 1.163 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.173 14.540 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.483 13.368 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.236 14.483 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.964 15.890 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.110 14.995 0.000 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.638 11.344 3.113 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.162 10.160 3.774 1.00 0.00 C ATOM 1449 C GLU A 101 -8.262 9.764 4.946 1.00 0.00 C ATOM 1450 O GLU A 101 -8.669 9.851 6.103 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.316 9.003 2.785 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.599 9.150 1.965 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.725 8.295 2.550 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.673 8.049 3.774 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.613 7.907 1.760 1.00 0.00 O ATOM 0 H GLU A 101 -8.011 11.154 2.332 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.152 10.394 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.455 8.973 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.332 8.057 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.905 10.196 1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.411 8.854 0.933 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.054 9.338 4.605 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.093 8.928 5.615 1.00 0.00 C ATOM 1464 C TYR A 102 -6.142 9.859 6.828 1.00 0.00 C ATOM 1465 O TYR A 102 -5.822 9.448 7.943 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.716 9.041 4.956 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.552 8.683 5.883 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.369 7.376 6.287 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.686 9.667 6.314 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.273 7.039 7.159 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.591 9.330 7.186 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.438 8.033 7.565 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.404 7.714 8.389 1.00 0.00 O ATOM 0 H TYR A 102 -6.719 9.268 3.644 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.309 7.918 5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.687 8.388 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.580 10.060 4.595 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.047 6.606 5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.829 10.690 5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.118 6.020 7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.906 10.090 7.531 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.397 8.323 9.156 1.00 0.00 H new ATOM 1483 N SER A 103 -6.546 11.094 6.571 1.00 0.00 N ATOM 1484 CA SER A 103 -6.642 12.086 7.629 1.00 0.00 C ATOM 1485 C SER A 103 -7.171 11.436 8.909 1.00 0.00 C ATOM 1486 O SER A 103 -6.655 11.689 9.996 1.00 0.00 O ATOM 1487 CB SER A 103 -7.543 13.250 7.212 1.00 0.00 C ATOM 1488 OG SER A 103 -7.896 14.074 8.319 1.00 0.00 O ATOM 0 H SER A 103 -6.811 11.431 5.645 1.00 0.00 H new ATOM 0 HA SER A 103 -5.645 12.484 7.817 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.033 13.852 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.448 12.859 6.747 1.00 0.00 H new ATOM 0 HG SER A 103 -8.470 14.806 8.012 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.194 10.612 8.737 1.00 0.00 N ATOM 1495 CA ARG A 104 -8.799 9.925 9.865 1.00 0.00 C ATOM 1496 C ARG A 104 -7.727 9.201 10.682 1.00 0.00 C ATOM 1497 O ARG A 104 -7.634 9.386 11.895 1.00 0.00 O ATOM 1498 CB ARG A 104 -9.844 8.911 9.396 1.00 0.00 C ATOM 1499 CG ARG A 104 -10.888 9.576 8.497 1.00 0.00 C ATOM 1500 CD ARG A 104 -11.224 8.688 7.297 1.00 0.00 C ATOM 1501 NE ARG A 104 -12.343 9.278 6.528 1.00 0.00 N ATOM 1502 CZ ARG A 104 -13.615 9.294 6.946 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -13.939 8.754 8.129 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -14.565 9.852 6.182 1.00 0.00 N ATOM 0 H ARG A 104 -8.619 10.405 7.833 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.290 10.675 10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.354 8.103 8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.335 8.463 10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.793 9.776 9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.513 10.538 8.148 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.348 8.581 6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.493 7.688 7.638 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.132 9.699 5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.217 8.331 8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.908 8.766 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.319 10.264 5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.534 9.864 6.501 1.00 0.00 H new ATOM 1518 N PHE A 105 -6.943 8.391 9.985 1.00 0.00 N ATOM 1519 CA PHE A 105 -5.881 7.638 10.631 1.00 0.00 C ATOM 1520 C PHE A 105 -4.793 8.572 11.164 1.00 0.00 C ATOM 1521 O PHE A 105 -3.980 8.172 11.995 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.273 6.721 9.568 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.249 5.683 9.009 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -7.045 4.974 9.853 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.321 5.471 7.667 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.951 4.011 9.334 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.226 4.508 7.148 1.00 0.00 C ATOM 1528 CZ PHE A 105 -8.022 3.798 7.993 1.00 0.00 C ATOM 0 H PHE A 105 -7.022 8.240 8.979 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.283 7.075 11.473 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.899 7.332 8.747 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.415 6.204 9.997 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.988 5.143 10.918 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.690 6.035 6.997 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.583 3.448 10.004 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.283 4.339 6.083 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.710 3.065 7.598 1.00 0.00 H new ATOM 1538 N GLU A 106 -4.815 9.799 10.665 1.00 0.00 N ATOM 1539 CA GLU A 106 -3.840 10.793 11.081 1.00 0.00 C ATOM 1540 C GLU A 106 -4.190 11.330 12.471 1.00 0.00 C ATOM 1541 O GLU A 106 -3.355 11.312 13.375 1.00 0.00 O ATOM 1542 CB GLU A 106 -3.747 11.930 10.062 1.00 0.00 C ATOM 1543 CG GLU A 106 -2.403 11.903 9.331 1.00 0.00 C ATOM 1544 CD GLU A 106 -1.275 12.395 10.240 1.00 0.00 C ATOM 1545 OE1 GLU A 106 -1.291 13.603 10.561 1.00 0.00 O ATOM 1546 OE2 GLU A 106 -0.423 11.552 10.594 1.00 0.00 O ATOM 0 H GLU A 106 -5.492 10.128 9.977 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.862 10.315 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.559 11.844 9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.871 12.888 10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.188 10.889 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.457 12.529 8.440 1.00 0.00 H new ATOM 1553 N SER A 107 -5.424 11.794 12.598 1.00 0.00 N ATOM 1554 CA SER A 107 -5.894 12.334 13.862 1.00 0.00 C ATOM 1555 C SER A 107 -5.638 11.330 14.988 1.00 0.00 C ATOM 1556 O SER A 107 -5.036 11.672 16.004 1.00 0.00 O ATOM 1557 CB SER A 107 -7.381 12.686 13.792 1.00 0.00 C ATOM 1558 OG SER A 107 -7.616 14.068 14.044 1.00 0.00 O ATOM 0 H SER A 107 -6.113 11.807 11.846 1.00 0.00 H new ATOM 0 HA SER A 107 -5.341 13.250 14.069 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.769 12.426 12.807 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.930 12.087 14.519 1.00 0.00 H new ATOM 0 HG SER A 107 -8.577 14.252 13.988 1.00 0.00 H new ATOM 1564 N SER A 108 -6.109 10.111 14.769 1.00 0.00 N ATOM 1565 CA SER A 108 -5.939 9.056 15.752 1.00 0.00 C ATOM 1566 C SER A 108 -5.775 7.707 15.049 1.00 0.00 C ATOM 1567 O SER A 108 -6.468 7.423 14.073 1.00 0.00 O ATOM 1568 CB SER A 108 -7.123 9.009 16.720 1.00 0.00 C ATOM 1569 OG SER A 108 -6.719 8.659 18.041 1.00 0.00 O ATOM 0 H SER A 108 -6.608 9.831 13.925 1.00 0.00 H new ATOM 0 HA SER A 108 -5.040 9.269 16.330 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.616 9.981 16.737 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.856 8.286 16.362 1.00 0.00 H new ATOM 0 HG SER A 108 -7.503 8.641 18.629 1.00 0.00 H new ATOM 1575 N GLY A 109 -4.854 6.911 15.572 1.00 0.00 N ATOM 1576 CA GLY A 109 -4.590 5.599 15.006 1.00 0.00 C ATOM 1577 C GLY A 109 -3.281 5.021 15.549 1.00 0.00 C ATOM 1578 O GLY A 109 -2.742 5.517 16.537 1.00 0.00 O ATOM 0 H GLY A 109 -4.281 7.149 16.382 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.414 4.925 15.240 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.537 5.672 13.920 1.00 0.00 H new ATOM 1582 N PRO A 110 -2.796 3.953 14.861 1.00 0.00 N ATOM 1583 CA PRO A 110 -1.560 3.302 15.264 1.00 0.00 C ATOM 1584 C PRO A 110 -0.345 4.147 14.878 1.00 0.00 C ATOM 1585 O PRO A 110 0.034 4.199 13.709 1.00 0.00 O ATOM 1586 CB PRO A 110 -1.586 1.948 14.574 1.00 0.00 C ATOM 1587 CG PRO A 110 -2.600 2.073 13.448 1.00 0.00 C ATOM 1588 CD PRO A 110 -3.407 3.339 13.687 1.00 0.00 C ATOM 0 HA PRO A 110 -1.480 3.182 16.344 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.601 1.689 14.186 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.871 1.160 15.271 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.095 2.118 12.483 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.254 1.202 13.425 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.364 4.004 12.825 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.459 3.111 13.862 1.00 0.00 H new ATOM 1596 N SER A 111 0.233 4.788 15.884 1.00 0.00 N ATOM 1597 CA SER A 111 1.399 5.628 15.665 1.00 0.00 C ATOM 1598 C SER A 111 2.568 5.134 16.519 1.00 0.00 C ATOM 1599 O SER A 111 2.660 5.463 17.700 1.00 0.00 O ATOM 1600 CB SER A 111 1.090 7.092 15.984 1.00 0.00 C ATOM 1601 OG SER A 111 1.967 7.984 15.301 1.00 0.00 O ATOM 0 H SER A 111 -0.084 4.743 16.852 1.00 0.00 H new ATOM 0 HA SER A 111 1.674 5.564 14.612 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.059 7.314 15.707 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.173 7.254 17.059 1.00 0.00 H new ATOM 0 HG SER A 111 1.736 8.909 15.530 1.00 0.00 H new ATOM 1607 N SER A 112 3.431 4.352 15.887 1.00 0.00 N ATOM 1608 CA SER A 112 4.591 3.810 16.575 1.00 0.00 C ATOM 1609 C SER A 112 4.146 2.797 17.632 1.00 0.00 C ATOM 1610 O SER A 112 3.010 2.843 18.102 1.00 0.00 O ATOM 1611 CB SER A 112 5.419 4.922 17.221 1.00 0.00 C ATOM 1612 OG SER A 112 5.803 5.919 16.277 1.00 0.00 O ATOM 0 H SER A 112 3.351 4.081 14.907 1.00 0.00 H new ATOM 0 HA SER A 112 5.220 3.307 15.840 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.843 5.384 18.022 1.00 0.00 H new ATOM 0 HB3 SER A 112 6.311 4.492 17.677 1.00 0.00 H new ATOM 0 HG SER A 112 6.328 6.612 16.729 1.00 0.00 H new ATOM 1618 N GLY A 113 5.065 1.906 17.976 1.00 0.00 N ATOM 1619 CA GLY A 113 4.781 0.884 18.969 1.00 0.00 C ATOM 1620 C GLY A 113 5.749 -0.294 18.834 1.00 0.00 C ATOM 1621 O GLY A 113 5.862 -1.115 19.743 1.00 0.00 O ATOM 0 H GLY A 113 6.006 1.871 17.585 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.859 1.311 19.969 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.756 0.533 18.852 1.00 0.00 H new TER 1625 GLY A 113