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 31 ASN : amide:sc= -0.0573 K(o=-1.2,f=-2.8!) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= -1.1 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 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+ -157:sc= -0.0271 (180deg=-0.246) USER MOD Single : A 22 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) 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 69:sc= -1.86! USER MOD Single : A 55 SER OG : rot 72:sc= 0.952 USER MOD Single : A 66 SER OG : rot 180:sc=-0.000275 USER MOD Single : A 68 ASN : amide:sc= -3.71 K(o=-3.7,f=-11!) USER MOD Single : A 71 ASN : amide:sc=-0.00177 X(o=-0.0018,f=0) USER MOD Single : A 74 ASN : amide:sc= 0.0226 X(o=0.023,f=-0.029) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 77 HIS : no HE2:sc= -0.436 K(o=-0.44,f=-1.5) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.0371 K(o=-0.037,f=-0.89) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00285 USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00617 USER MOD Single : A 96 GLN : amide:sc= -0.544 K(o=-0.54,f=-2.3!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -140:sc= -0.481 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 -17.232 5.264 -31.186 1.00 0.00 N ATOM 2 CA GLY A 1 -15.951 5.722 -31.694 1.00 0.00 C ATOM 3 C GLY A 1 -15.650 7.145 -31.218 1.00 0.00 C ATOM 4 O GLY A 1 -16.319 8.094 -31.623 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.413 4.297 -31.523 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.216 5.271 -30.146 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.986 5.895 -31.525 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.162 5.048 -31.361 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.956 5.692 -32.784 1.00 0.00 H new ATOM 8 N SER A 2 -14.641 7.249 -30.365 1.00 0.00 N ATOM 9 CA SER A 2 -14.243 8.539 -29.829 1.00 0.00 C ATOM 10 C SER A 2 -12.839 8.447 -29.229 1.00 0.00 C ATOM 11 O SER A 2 -12.463 7.414 -28.677 1.00 0.00 O ATOM 12 CB SER A 2 -15.239 9.030 -28.777 1.00 0.00 C ATOM 13 OG SER A 2 -15.838 10.270 -29.144 1.00 0.00 O ATOM 0 H SER A 2 -14.087 6.460 -30.032 1.00 0.00 H new ATOM 0 HA SER A 2 -14.235 9.260 -30.646 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.017 8.280 -28.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.729 9.143 -27.820 1.00 0.00 H new ATOM 0 HG SER A 2 -16.468 10.548 -28.447 1.00 0.00 H new ATOM 19 N SER A 3 -12.102 9.540 -29.358 1.00 0.00 N ATOM 20 CA SER A 3 -10.747 9.595 -28.835 1.00 0.00 C ATOM 21 C SER A 3 -10.204 11.021 -28.940 1.00 0.00 C ATOM 22 O SER A 3 -9.440 11.333 -29.852 1.00 0.00 O ATOM 23 CB SER A 3 -9.830 8.622 -29.578 1.00 0.00 C ATOM 24 OG SER A 3 -9.179 7.718 -28.689 1.00 0.00 O ATOM 0 H SER A 3 -12.417 10.395 -29.817 1.00 0.00 H new ATOM 0 HA SER A 3 -10.773 9.299 -27.786 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.413 8.058 -30.306 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.081 9.184 -30.136 1.00 0.00 H new ATOM 0 HG SER A 3 -8.604 7.112 -29.202 1.00 0.00 H new ATOM 30 N GLY A 4 -10.618 11.850 -27.992 1.00 0.00 N ATOM 31 CA GLY A 4 -10.182 13.235 -27.966 1.00 0.00 C ATOM 32 C GLY A 4 -8.965 13.410 -27.055 1.00 0.00 C ATOM 33 O GLY A 4 -8.523 12.458 -26.415 1.00 0.00 O ATOM 0 H GLY A 4 -11.251 11.588 -27.236 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.934 13.561 -28.976 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.996 13.870 -27.617 1.00 0.00 H new ATOM 37 N SER A 5 -8.459 14.635 -27.026 1.00 0.00 N ATOM 38 CA SER A 5 -7.303 14.947 -26.203 1.00 0.00 C ATOM 39 C SER A 5 -7.237 16.453 -25.943 1.00 0.00 C ATOM 40 O SER A 5 -7.800 17.242 -26.700 1.00 0.00 O ATOM 41 CB SER A 5 -6.010 14.465 -26.866 1.00 0.00 C ATOM 42 OG SER A 5 -4.988 14.197 -25.909 1.00 0.00 O ATOM 0 H SER A 5 -8.828 15.422 -27.559 1.00 0.00 H new ATOM 0 HA SER A 5 -7.409 14.425 -25.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.213 13.562 -27.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.659 15.221 -27.569 1.00 0.00 H new ATOM 0 HG SER A 5 -4.180 13.890 -26.371 1.00 0.00 H new ATOM 48 N SER A 6 -6.544 16.806 -24.871 1.00 0.00 N ATOM 49 CA SER A 6 -6.397 18.204 -24.502 1.00 0.00 C ATOM 50 C SER A 6 -5.216 18.371 -23.543 1.00 0.00 C ATOM 51 O SER A 6 -4.668 17.386 -23.050 1.00 0.00 O ATOM 52 CB SER A 6 -7.679 18.743 -23.864 1.00 0.00 C ATOM 53 OG SER A 6 -7.989 18.076 -22.643 1.00 0.00 O ATOM 0 H SER A 6 -6.078 16.148 -24.246 1.00 0.00 H new ATOM 0 HA SER A 6 -6.205 18.778 -25.408 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.569 19.811 -23.676 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.508 18.626 -24.562 1.00 0.00 H new ATOM 0 HG SER A 6 -8.813 18.450 -22.266 1.00 0.00 H new ATOM 59 N GLY A 7 -4.859 19.625 -23.307 1.00 0.00 N ATOM 60 CA GLY A 7 -3.754 19.933 -22.415 1.00 0.00 C ATOM 61 C GLY A 7 -4.144 21.022 -21.414 1.00 0.00 C ATOM 62 O GLY A 7 -4.692 22.054 -21.797 1.00 0.00 O ATOM 0 H GLY A 7 -5.315 20.439 -23.718 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.453 19.033 -21.879 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.893 20.261 -22.997 1.00 0.00 H new ATOM 66 N ARG A 8 -3.847 20.754 -20.151 1.00 0.00 N ATOM 67 CA ARG A 8 -4.160 21.698 -19.092 1.00 0.00 C ATOM 68 C ARG A 8 -3.074 21.665 -18.014 1.00 0.00 C ATOM 69 O ARG A 8 -2.477 20.620 -17.761 1.00 0.00 O ATOM 70 CB ARG A 8 -5.513 21.380 -18.453 1.00 0.00 C ATOM 71 CG ARG A 8 -6.663 21.904 -19.315 1.00 0.00 C ATOM 72 CD ARG A 8 -7.930 21.073 -19.103 1.00 0.00 C ATOM 73 NE ARG A 8 -8.637 20.891 -20.390 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.251 21.878 -21.057 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.248 23.123 -20.562 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.867 21.620 -22.218 1.00 0.00 N ATOM 0 H ARG A 8 -3.393 19.896 -19.837 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.206 22.692 -19.537 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.613 20.302 -18.323 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.565 21.827 -17.460 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.862 22.947 -19.067 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.377 21.875 -20.366 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.672 20.102 -18.680 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.584 21.569 -18.386 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.658 19.955 -20.795 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.779 23.319 -19.678 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.715 23.875 -21.069 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.869 20.672 -22.595 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.334 22.371 -22.725 1.00 0.00 H new ATOM 90 N PRO A 9 -2.846 22.853 -17.392 1.00 0.00 N ATOM 91 CA PRO A 9 -1.843 22.970 -16.347 1.00 0.00 C ATOM 92 C PRO A 9 -2.335 22.341 -15.042 1.00 0.00 C ATOM 93 O PRO A 9 -3.498 21.956 -14.934 1.00 0.00 O ATOM 94 CB PRO A 9 -1.575 24.461 -16.224 1.00 0.00 C ATOM 95 CG PRO A 9 -2.765 25.153 -16.870 1.00 0.00 C ATOM 96 CD PRO A 9 -3.534 24.111 -17.666 1.00 0.00 C ATOM 0 HA PRO A 9 -0.925 22.432 -16.583 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.472 24.755 -15.179 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.646 24.733 -16.724 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.405 25.601 -16.110 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.430 25.960 -17.521 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.578 24.067 -17.356 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.527 24.342 -18.731 1.00 0.00 H new ATOM 104 N GLY A 10 -1.424 22.257 -14.083 1.00 0.00 N ATOM 105 CA GLY A 10 -1.751 21.682 -12.789 1.00 0.00 C ATOM 106 C GLY A 10 -1.181 20.268 -12.658 1.00 0.00 C ATOM 107 O GLY A 10 -0.353 19.851 -13.466 1.00 0.00 O ATOM 0 H GLY A 10 -0.460 22.577 -14.176 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.352 22.314 -11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.833 21.655 -12.662 1.00 0.00 H new ATOM 111 N GLY A 11 -1.648 19.569 -11.634 1.00 0.00 N ATOM 112 CA GLY A 11 -1.196 18.210 -11.387 1.00 0.00 C ATOM 113 C GLY A 11 -2.377 17.283 -11.097 1.00 0.00 C ATOM 114 O GLY A 11 -2.742 17.080 -9.940 1.00 0.00 O ATOM 0 H GLY A 11 -2.335 19.918 -10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.646 17.843 -12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.506 18.200 -10.543 1.00 0.00 H new ATOM 118 N ASP A 12 -2.942 16.744 -12.167 1.00 0.00 N ATOM 119 CA ASP A 12 -4.075 15.843 -12.042 1.00 0.00 C ATOM 120 C ASP A 12 -3.591 14.494 -11.507 1.00 0.00 C ATOM 121 O ASP A 12 -3.309 13.580 -12.281 1.00 0.00 O ATOM 122 CB ASP A 12 -4.740 15.602 -13.399 1.00 0.00 C ATOM 123 CG ASP A 12 -4.646 16.771 -14.381 1.00 0.00 C ATOM 124 OD1 ASP A 12 -3.542 16.959 -14.936 1.00 0.00 O ATOM 125 OD2 ASP A 12 -5.681 17.451 -14.555 1.00 0.00 O ATOM 0 H ASP A 12 -2.636 16.914 -13.125 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.796 16.300 -11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.286 14.724 -13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.792 15.368 -13.235 1.00 0.00 H new ATOM 130 N ALA A 13 -3.510 14.411 -10.187 1.00 0.00 N ATOM 131 CA ALA A 13 -3.065 13.189 -9.540 1.00 0.00 C ATOM 132 C ALA A 13 -4.054 12.814 -8.433 1.00 0.00 C ATOM 133 O ALA A 13 -3.793 13.054 -7.256 1.00 0.00 O ATOM 134 CB ALA A 13 -1.643 13.380 -9.010 1.00 0.00 C ATOM 0 H ALA A 13 -3.745 15.171 -9.548 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.039 12.365 -10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.309 12.463 -8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.975 13.616 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.630 14.197 -8.289 1.00 0.00 H new ATOM 140 N ARG A 14 -5.168 12.232 -8.852 1.00 0.00 N ATOM 141 CA ARG A 14 -6.196 11.821 -7.911 1.00 0.00 C ATOM 142 C ARG A 14 -6.331 10.297 -7.903 1.00 0.00 C ATOM 143 O ARG A 14 -6.235 9.668 -6.851 1.00 0.00 O ATOM 144 CB ARG A 14 -7.548 12.444 -8.266 1.00 0.00 C ATOM 145 CG ARG A 14 -7.508 13.965 -8.112 1.00 0.00 C ATOM 146 CD ARG A 14 -6.963 14.631 -9.378 1.00 0.00 C ATOM 147 NE ARG A 14 -8.070 14.904 -10.322 1.00 0.00 N ATOM 148 CZ ARG A 14 -8.407 14.098 -11.338 1.00 0.00 C ATOM 149 NH1 ARG A 14 -7.727 12.963 -11.547 1.00 0.00 N ATOM 150 NH2 ARG A 14 -9.426 14.427 -12.144 1.00 0.00 N ATOM 0 H ARG A 14 -5.381 12.035 -9.830 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.897 12.167 -6.922 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.814 12.186 -9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.324 12.030 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.510 14.339 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.884 14.231 -7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.456 15.561 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.223 13.984 -9.849 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.610 15.759 -10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.952 12.712 -10.933 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.984 12.350 -12.320 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.945 15.291 -11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.683 13.814 -12.918 1.00 0.00 H new ATOM 164 N GLU A 15 -6.550 9.748 -9.089 1.00 0.00 N ATOM 165 CA GLU A 15 -6.699 8.310 -9.231 1.00 0.00 C ATOM 166 C GLU A 15 -5.456 7.593 -8.701 1.00 0.00 C ATOM 167 O GLU A 15 -4.467 8.234 -8.350 1.00 0.00 O ATOM 168 CB GLU A 15 -6.973 7.929 -10.687 1.00 0.00 C ATOM 169 CG GLU A 15 -8.412 7.438 -10.864 1.00 0.00 C ATOM 170 CD GLU A 15 -8.578 6.693 -12.190 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.225 7.295 -13.227 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.054 5.539 -12.137 1.00 0.00 O ATOM 0 H GLU A 15 -6.628 10.273 -9.960 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.557 7.993 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.797 8.790 -11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.278 7.150 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.680 6.780 -10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.096 8.286 -10.831 1.00 0.00 H new ATOM 179 N PRO A 16 -5.548 6.236 -8.659 1.00 0.00 N ATOM 180 CA PRO A 16 -4.443 5.425 -8.178 1.00 0.00 C ATOM 181 C PRO A 16 -3.324 5.351 -9.219 1.00 0.00 C ATOM 182 O PRO A 16 -3.582 5.104 -10.396 1.00 0.00 O ATOM 183 CB PRO A 16 -5.056 4.069 -7.868 1.00 0.00 C ATOM 184 CG PRO A 16 -6.377 4.027 -8.619 1.00 0.00 C ATOM 185 CD PRO A 16 -6.704 5.442 -9.067 1.00 0.00 C ATOM 0 HA PRO A 16 -3.968 5.845 -7.291 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.399 3.261 -8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.212 3.947 -6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.306 3.361 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.168 3.637 -7.978 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.857 5.491 -10.145 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.619 5.804 -8.598 1.00 0.00 H new ATOM 193 N ARG A 17 -2.105 5.568 -8.747 1.00 0.00 N ATOM 194 CA ARG A 17 -0.946 5.529 -9.623 1.00 0.00 C ATOM 195 C ARG A 17 -0.217 4.192 -9.478 1.00 0.00 C ATOM 196 O ARG A 17 -0.174 3.618 -8.391 1.00 0.00 O ATOM 197 CB ARG A 17 0.024 6.668 -9.302 1.00 0.00 C ATOM 198 CG ARG A 17 0.643 6.487 -7.915 1.00 0.00 C ATOM 199 CD ARG A 17 0.708 7.820 -7.166 1.00 0.00 C ATOM 200 NE ARG A 17 1.584 8.766 -7.891 1.00 0.00 N ATOM 201 CZ ARG A 17 1.560 10.095 -7.719 1.00 0.00 C ATOM 202 NH1 ARG A 17 0.703 10.642 -6.846 1.00 0.00 N ATOM 203 NH2 ARG A 17 2.392 10.877 -8.421 1.00 0.00 N ATOM 0 H ARG A 17 -1.895 5.771 -7.770 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.299 5.645 -10.648 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.812 6.702 -10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.502 7.622 -9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.055 5.771 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.646 6.071 -8.012 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.293 8.241 -7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.087 7.661 -6.157 1.00 0.00 H new ATOM 0 HE ARG A 17 2.248 8.383 -8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.069 10.047 -6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.685 11.653 -6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.044 10.461 -9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.374 11.888 -8.290 1.00 0.00 H new ATOM 217 N LYS A 18 0.337 3.733 -10.591 1.00 0.00 N ATOM 218 CA LYS A 18 1.062 2.474 -10.603 1.00 0.00 C ATOM 219 C LYS A 18 2.465 2.693 -10.033 1.00 0.00 C ATOM 220 O LYS A 18 3.291 3.363 -10.650 1.00 0.00 O ATOM 221 CB LYS A 18 1.056 1.865 -12.006 1.00 0.00 C ATOM 222 CG LYS A 18 1.863 0.566 -12.044 1.00 0.00 C ATOM 223 CD LYS A 18 0.985 -0.614 -12.462 1.00 0.00 C ATOM 224 CE LYS A 18 1.765 -1.595 -13.340 1.00 0.00 C ATOM 225 NZ LYS A 18 2.026 -1.003 -14.672 1.00 0.00 N ATOM 0 H LYS A 18 0.298 4.211 -11.491 1.00 0.00 H new ATOM 0 HA LYS A 18 0.568 1.744 -9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.030 1.669 -12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.474 2.578 -12.717 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.694 0.670 -12.742 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.294 0.373 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.616 -1.129 -11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.113 -0.249 -13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.708 -1.852 -12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.201 -2.521 -13.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.189 -1.762 -15.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.205 -0.437 -14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.867 -0.394 -14.622 1.00 0.00 H new ATOM 239 N ILE A 19 2.690 2.114 -8.862 1.00 0.00 N ATOM 240 CA ILE A 19 3.979 2.238 -8.203 1.00 0.00 C ATOM 241 C ILE A 19 4.648 0.864 -8.140 1.00 0.00 C ATOM 242 O ILE A 19 4.024 -0.117 -7.739 1.00 0.00 O ATOM 243 CB ILE A 19 3.819 2.907 -6.836 1.00 0.00 C ATOM 244 CG1 ILE A 19 3.090 4.246 -6.963 1.00 0.00 C ATOM 245 CG2 ILE A 19 5.172 3.054 -6.136 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.869 4.295 -6.042 1.00 0.00 C ATOM 0 H ILE A 19 2.002 1.559 -8.353 1.00 0.00 H new ATOM 0 HA ILE A 19 4.639 2.889 -8.776 1.00 0.00 H new ATOM 0 HB ILE A 19 3.201 2.263 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.771 5.060 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.777 4.397 -7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.030 3.532 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.617 2.069 -5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.834 3.666 -6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.369 5.257 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.179 3.495 -6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.188 4.168 -5.008 1.00 0.00 H new ATOM 258 N ILE A 20 5.910 0.837 -8.543 1.00 0.00 N ATOM 259 CA ILE A 20 6.671 -0.401 -8.538 1.00 0.00 C ATOM 260 C ILE A 20 7.856 -0.262 -7.579 1.00 0.00 C ATOM 261 O ILE A 20 8.854 0.376 -7.908 1.00 0.00 O ATOM 262 CB ILE A 20 7.075 -0.787 -9.962 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.913 -1.455 -10.699 1.00 0.00 C ATOM 264 CG2 ILE A 20 8.330 -1.663 -9.957 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.798 -0.929 -12.132 1.00 0.00 C ATOM 0 H ILE A 20 6.425 1.653 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 20 6.058 -1.224 -8.171 1.00 0.00 H new ATOM 0 HB ILE A 20 7.320 0.125 -10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.060 -2.535 -10.715 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.982 -1.268 -10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.596 -1.923 -10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.153 -1.117 -9.496 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.136 -2.573 -9.390 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.964 -1.420 -12.634 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.627 0.147 -12.112 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.721 -1.139 -12.672 1.00 0.00 H new ATOM 277 N LEU A 21 7.705 -0.870 -6.411 1.00 0.00 N ATOM 278 CA LEU A 21 8.749 -0.823 -5.402 1.00 0.00 C ATOM 279 C LEU A 21 9.565 -2.116 -5.457 1.00 0.00 C ATOM 280 O LEU A 21 9.004 -3.202 -5.593 1.00 0.00 O ATOM 281 CB LEU A 21 8.151 -0.531 -4.025 1.00 0.00 C ATOM 282 CG LEU A 21 7.332 0.756 -3.908 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.979 1.891 -4.704 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.879 0.521 -4.323 1.00 0.00 C ATOM 0 H LEU A 21 6.875 -1.398 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 21 9.438 -0.003 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.515 -1.370 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.964 -0.488 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 21 7.322 1.061 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.377 2.794 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.982 2.079 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.040 1.610 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.319 1.452 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.847 0.180 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.434 -0.236 -3.677 1.00 0.00 H new ATOM 296 N HIS A 22 10.876 -1.957 -5.349 1.00 0.00 N ATOM 297 CA HIS A 22 11.774 -3.098 -5.385 1.00 0.00 C ATOM 298 C HIS A 22 12.239 -3.430 -3.966 1.00 0.00 C ATOM 299 O HIS A 22 13.089 -2.736 -3.409 1.00 0.00 O ATOM 300 CB HIS A 22 12.937 -2.844 -6.346 1.00 0.00 C ATOM 301 CG HIS A 22 12.542 -2.852 -7.804 1.00 0.00 C ATOM 302 ND1 HIS A 22 13.424 -2.532 -8.821 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.352 -3.145 -8.403 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.783 -2.630 -9.977 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.499 -3.009 -9.715 1.00 0.00 N ATOM 0 H HIS A 22 11.338 -1.054 -5.236 1.00 0.00 H new ATOM 0 HA HIS A 22 11.245 -3.970 -5.770 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.388 -1.881 -6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.702 -3.603 -6.183 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.445 -3.438 -7.896 1.00 0.00 H new ATOM 0 HE1 HIS A 22 13.203 -2.443 -10.954 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.771 -3.163 -10.413 1.00 0.00 H new ATOM 313 N LYS A 23 11.663 -4.491 -3.421 1.00 0.00 N ATOM 314 CA LYS A 23 12.008 -4.923 -2.077 1.00 0.00 C ATOM 315 C LYS A 23 13.524 -4.834 -1.891 1.00 0.00 C ATOM 316 O LYS A 23 14.274 -5.586 -2.512 1.00 0.00 O ATOM 317 CB LYS A 23 11.434 -6.313 -1.797 1.00 0.00 C ATOM 318 CG LYS A 23 10.082 -6.216 -1.087 1.00 0.00 C ATOM 319 CD LYS A 23 9.853 -7.423 -0.176 1.00 0.00 C ATOM 320 CE LYS A 23 9.207 -8.577 -0.946 1.00 0.00 C ATOM 321 NZ LYS A 23 9.458 -9.863 -0.259 1.00 0.00 N ATOM 0 H LYS A 23 10.959 -5.065 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 23 11.556 -4.263 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.318 -6.858 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.132 -6.881 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.041 -5.299 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.283 -6.157 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.803 -7.750 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.215 -7.136 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.134 -8.408 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.607 -8.615 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.013 -10.635 -0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.483 -10.030 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.055 -9.829 0.699 1.00 0.00 H new ATOM 335 N GLY A 24 13.930 -3.909 -1.034 1.00 0.00 N ATOM 336 CA GLY A 24 15.343 -3.713 -0.758 1.00 0.00 C ATOM 337 C GLY A 24 15.781 -4.522 0.464 1.00 0.00 C ATOM 338 O GLY A 24 16.691 -5.344 0.375 1.00 0.00 O ATOM 0 H GLY A 24 13.305 -3.287 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.931 -4.011 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.540 -2.655 -0.588 1.00 0.00 H new ATOM 342 N SER A 25 15.112 -4.259 1.578 1.00 0.00 N ATOM 343 CA SER A 25 15.421 -4.953 2.817 1.00 0.00 C ATOM 344 C SER A 25 14.241 -4.845 3.785 1.00 0.00 C ATOM 345 O SER A 25 13.732 -5.857 4.264 1.00 0.00 O ATOM 346 CB SER A 25 16.689 -4.390 3.462 1.00 0.00 C ATOM 347 OG SER A 25 17.683 -5.394 3.648 1.00 0.00 O ATOM 0 H SER A 25 14.358 -3.576 1.648 1.00 0.00 H new ATOM 0 HA SER A 25 15.599 -6.003 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.091 -3.593 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.439 -3.944 4.425 1.00 0.00 H new ATOM 0 HG SER A 25 18.478 -4.995 4.060 1.00 0.00 H new ATOM 353 N THR A 26 13.840 -3.609 4.044 1.00 0.00 N ATOM 354 CA THR A 26 12.730 -3.356 4.946 1.00 0.00 C ATOM 355 C THR A 26 11.408 -3.348 4.176 1.00 0.00 C ATOM 356 O THR A 26 10.670 -2.364 4.213 1.00 0.00 O ATOM 357 CB THR A 26 13.010 -2.046 5.685 1.00 0.00 C ATOM 358 OG1 THR A 26 12.648 -1.035 4.749 1.00 0.00 O ATOM 359 CG2 THR A 26 14.504 -1.816 5.923 1.00 0.00 C ATOM 0 H THR A 26 14.264 -2.772 3.645 1.00 0.00 H new ATOM 0 HA THR A 26 12.634 -4.150 5.687 1.00 0.00 H new ATOM 0 HB THR A 26 12.486 -2.050 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.677 -1.042 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.647 -0.873 6.451 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.907 -2.632 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.023 -1.779 4.965 1.00 0.00 H new ATOM 367 N GLY A 27 11.149 -4.455 3.496 1.00 0.00 N ATOM 368 CA GLY A 27 9.929 -4.588 2.718 1.00 0.00 C ATOM 369 C GLY A 27 9.931 -3.628 1.526 1.00 0.00 C ATOM 370 O GLY A 27 10.942 -3.487 0.840 1.00 0.00 O ATOM 0 H GLY A 27 11.764 -5.269 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.830 -5.614 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.066 -4.385 3.352 1.00 0.00 H new ATOM 374 N LEU A 28 8.788 -2.992 1.317 1.00 0.00 N ATOM 375 CA LEU A 28 8.645 -2.050 0.221 1.00 0.00 C ATOM 376 C LEU A 28 8.987 -0.643 0.716 1.00 0.00 C ATOM 377 O LEU A 28 9.096 0.290 -0.079 1.00 0.00 O ATOM 378 CB LEU A 28 7.253 -2.161 -0.404 1.00 0.00 C ATOM 379 CG LEU A 28 7.051 -3.312 -1.391 1.00 0.00 C ATOM 380 CD1 LEU A 28 8.261 -3.461 -2.315 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.728 -4.615 -0.655 1.00 0.00 C ATOM 0 H LEU A 28 7.952 -3.111 1.889 1.00 0.00 H new ATOM 0 HA LEU A 28 9.347 -2.287 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.523 -2.265 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.031 -1.225 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 28 6.193 -3.076 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.091 -4.286 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.404 -2.539 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.151 -3.664 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.589 -5.417 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.550 -4.869 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.814 -4.488 -0.075 1.00 0.00 H new ATOM 393 N GLY A 29 9.146 -0.533 2.026 1.00 0.00 N ATOM 394 CA GLY A 29 9.473 0.744 2.637 1.00 0.00 C ATOM 395 C GLY A 29 8.217 1.596 2.831 1.00 0.00 C ATOM 396 O GLY A 29 8.220 2.790 2.535 1.00 0.00 O ATOM 0 H GLY A 29 9.054 -1.308 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.956 0.578 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.187 1.279 2.010 1.00 0.00 H new ATOM 400 N PHE A 30 7.173 0.949 3.328 1.00 0.00 N ATOM 401 CA PHE A 30 5.912 1.632 3.565 1.00 0.00 C ATOM 402 C PHE A 30 4.955 0.752 4.372 1.00 0.00 C ATOM 403 O PHE A 30 4.919 -0.463 4.188 1.00 0.00 O ATOM 404 CB PHE A 30 5.293 1.917 2.196 1.00 0.00 C ATOM 405 CG PHE A 30 4.650 0.695 1.537 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.519 0.154 2.066 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.208 0.149 0.424 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.922 -0.981 1.455 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.611 -0.985 -0.187 1.00 0.00 C ATOM 410 CZ PHE A 30 3.481 -1.526 0.341 1.00 0.00 C ATOM 0 H PHE A 30 7.174 -0.041 3.573 1.00 0.00 H new ATOM 0 HA PHE A 30 6.085 2.547 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.539 2.697 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.065 2.310 1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.075 0.587 2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.106 0.578 0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.025 -1.411 1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.055 -1.418 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.027 -2.389 -0.124 1.00 0.00 H new ATOM 420 N ASN A 31 4.203 1.401 5.249 1.00 0.00 N ATOM 421 CA ASN A 31 3.248 0.693 6.084 1.00 0.00 C ATOM 422 C ASN A 31 1.868 0.738 5.424 1.00 0.00 C ATOM 423 O ASN A 31 1.686 1.397 4.401 1.00 0.00 O ATOM 424 CB ASN A 31 3.134 1.344 7.464 1.00 0.00 C ATOM 425 CG ASN A 31 3.230 0.296 8.574 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.818 -0.843 8.425 1.00 0.00 O ATOM 427 ND2 ASN A 31 3.794 0.743 9.693 1.00 0.00 N ATOM 0 H ASN A 31 4.236 2.409 5.399 1.00 0.00 H new ATOM 0 HA ASN A 31 3.596 -0.334 6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.925 2.083 7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.186 1.876 7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.903 0.120 10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.117 1.709 9.751 1.00 0.00 H new ATOM 434 N ILE A 32 0.931 0.030 6.037 1.00 0.00 N ATOM 435 CA ILE A 32 -0.427 -0.019 5.522 1.00 0.00 C ATOM 436 C ILE A 32 -1.411 -0.059 6.693 1.00 0.00 C ATOM 437 O ILE A 32 -1.072 -0.533 7.777 1.00 0.00 O ATOM 438 CB ILE A 32 -0.587 -1.185 4.544 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.082 -2.491 5.160 1.00 0.00 C ATOM 440 CG2 ILE A 32 0.095 -0.879 3.210 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.932 -3.678 4.702 1.00 0.00 C ATOM 0 H ILE A 32 1.085 -0.515 6.886 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.650 0.881 4.949 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.650 -1.316 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.958 -2.653 4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.108 -2.418 6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.034 -1.724 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.353 0.011 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.158 -0.706 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.552 -4.594 5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.967 -3.524 5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.884 -3.762 3.616 1.00 0.00 H new ATOM 453 N VAL A 33 -2.609 0.445 6.436 1.00 0.00 N ATOM 454 CA VAL A 33 -3.644 0.472 7.455 1.00 0.00 C ATOM 455 C VAL A 33 -4.997 0.167 6.810 1.00 0.00 C ATOM 456 O VAL A 33 -5.102 0.090 5.587 1.00 0.00 O ATOM 457 CB VAL A 33 -3.620 1.815 8.189 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.192 2.350 8.306 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.532 2.832 7.500 1.00 0.00 C ATOM 0 H VAL A 33 -2.886 0.838 5.536 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.462 -0.297 8.206 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.000 1.653 9.198 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.203 3.305 8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.581 1.638 8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.773 2.489 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.497 3.778 8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.195 2.988 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.555 2.456 7.492 1.00 0.00 H new ATOM 469 N GLY A 34 -5.999 0.002 7.662 1.00 0.00 N ATOM 470 CA GLY A 34 -7.341 -0.293 7.190 1.00 0.00 C ATOM 471 C GLY A 34 -7.659 -1.782 7.338 1.00 0.00 C ATOM 472 O GLY A 34 -7.082 -2.463 8.185 1.00 0.00 O ATOM 0 H GLY A 34 -5.908 0.067 8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.066 0.295 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.435 0.001 6.145 1.00 0.00 H new ATOM 476 N GLY A 35 -8.577 -2.245 6.502 1.00 0.00 N ATOM 477 CA GLY A 35 -8.979 -3.641 6.529 1.00 0.00 C ATOM 478 C GLY A 35 -10.099 -3.869 7.546 1.00 0.00 C ATOM 479 O GLY A 35 -10.540 -5.000 7.746 1.00 0.00 O ATOM 0 H GLY A 35 -9.054 -1.678 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.315 -3.946 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.122 -4.265 6.781 1.00 0.00 H new ATOM 483 N GLU A 36 -10.526 -2.777 8.163 1.00 0.00 N ATOM 484 CA GLU A 36 -11.586 -2.844 9.154 1.00 0.00 C ATOM 485 C GLU A 36 -12.955 -2.761 8.475 1.00 0.00 C ATOM 486 O GLU A 36 -13.403 -1.677 8.105 1.00 0.00 O ATOM 487 CB GLU A 36 -11.427 -1.741 10.203 1.00 0.00 C ATOM 488 CG GLU A 36 -10.027 -1.769 10.820 1.00 0.00 C ATOM 489 CD GLU A 36 -10.091 -2.117 12.308 1.00 0.00 C ATOM 490 OE1 GLU A 36 -10.408 -3.290 12.604 1.00 0.00 O ATOM 491 OE2 GLU A 36 -9.822 -1.203 13.117 1.00 0.00 O ATOM 0 H GLU A 36 -10.157 -1.841 7.996 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.515 -3.802 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.607 -0.769 9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.176 -1.867 10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.410 -2.500 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.549 -0.798 10.690 1.00 0.00 H new ATOM 498 N ASP A 37 -13.580 -3.920 8.332 1.00 0.00 N ATOM 499 CA ASP A 37 -14.888 -3.992 7.704 1.00 0.00 C ATOM 500 C ASP A 37 -14.719 -4.013 6.183 1.00 0.00 C ATOM 501 O ASP A 37 -15.289 -4.865 5.504 1.00 0.00 O ATOM 502 CB ASP A 37 -15.742 -2.776 8.067 1.00 0.00 C ATOM 503 CG ASP A 37 -15.632 -2.320 9.524 1.00 0.00 C ATOM 504 OD1 ASP A 37 -15.713 -3.205 10.403 1.00 0.00 O ATOM 505 OD2 ASP A 37 -15.468 -1.098 9.726 1.00 0.00 O ATOM 0 H ASP A 37 -13.205 -4.817 8.640 1.00 0.00 H new ATOM 0 HA ASP A 37 -15.381 -4.898 8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.459 -1.946 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.785 -3.006 7.852 1.00 0.00 H new ATOM 510 N GLY A 38 -13.932 -3.066 5.694 1.00 0.00 N ATOM 511 CA GLY A 38 -13.681 -2.965 4.267 1.00 0.00 C ATOM 512 C GLY A 38 -13.815 -1.518 3.787 1.00 0.00 C ATOM 513 O GLY A 38 -14.406 -1.260 2.740 1.00 0.00 O ATOM 0 H GLY A 38 -13.460 -2.362 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.680 -3.335 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.383 -3.598 3.725 1.00 0.00 H new ATOM 517 N GLU A 39 -13.255 -0.613 4.577 1.00 0.00 N ATOM 518 CA GLU A 39 -13.305 0.801 4.246 1.00 0.00 C ATOM 519 C GLU A 39 -12.203 1.151 3.243 1.00 0.00 C ATOM 520 O GLU A 39 -12.271 2.181 2.575 1.00 0.00 O ATOM 521 CB GLU A 39 -13.194 1.663 5.505 1.00 0.00 C ATOM 522 CG GLU A 39 -11.836 1.470 6.184 1.00 0.00 C ATOM 523 CD GLU A 39 -11.980 1.467 7.707 1.00 0.00 C ATOM 524 OE1 GLU A 39 -13.094 1.142 8.171 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.973 1.791 8.373 1.00 0.00 O ATOM 0 H GLU A 39 -12.765 -0.831 5.444 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.270 1.012 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.328 2.713 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.992 1.403 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.391 0.531 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.157 2.267 5.881 1.00 0.00 H new ATOM 532 N GLY A 40 -11.214 0.272 3.169 1.00 0.00 N ATOM 533 CA GLY A 40 -10.100 0.475 2.259 1.00 0.00 C ATOM 534 C GLY A 40 -8.765 0.410 3.004 1.00 0.00 C ATOM 535 O GLY A 40 -8.737 0.365 4.233 1.00 0.00 O ATOM 0 H GLY A 40 -11.161 -0.582 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.122 -0.284 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.199 1.443 1.767 1.00 0.00 H new ATOM 539 N ILE A 41 -7.690 0.408 2.229 1.00 0.00 N ATOM 540 CA ILE A 41 -6.356 0.350 2.800 1.00 0.00 C ATOM 541 C ILE A 41 -5.617 1.654 2.493 1.00 0.00 C ATOM 542 O ILE A 41 -5.860 2.282 1.464 1.00 0.00 O ATOM 543 CB ILE A 41 -5.620 -0.901 2.316 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.495 -2.147 2.472 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.273 -1.054 3.025 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.360 -2.739 3.877 1.00 0.00 C ATOM 0 H ILE A 41 -7.716 0.446 1.210 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.410 0.261 3.885 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.412 -0.785 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.537 -1.891 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.208 -2.892 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.771 -1.951 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.652 -0.182 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.435 -1.138 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.992 -3.623 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.321 -3.017 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.671 -1.999 4.615 1.00 0.00 H new ATOM 558 N PHE A 42 -4.730 2.023 3.406 1.00 0.00 N ATOM 559 CA PHE A 42 -3.955 3.241 3.246 1.00 0.00 C ATOM 560 C PHE A 42 -2.589 3.115 3.925 1.00 0.00 C ATOM 561 O PHE A 42 -2.453 2.415 4.927 1.00 0.00 O ATOM 562 CB PHE A 42 -4.744 4.366 3.919 1.00 0.00 C ATOM 563 CG PHE A 42 -6.065 4.701 3.224 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.129 3.863 3.345 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.176 5.838 2.486 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.355 4.174 2.700 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.402 6.149 1.841 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.466 5.311 1.962 1.00 0.00 C ATOM 0 H PHE A 42 -4.531 1.500 4.259 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.788 3.439 2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.950 4.084 4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.124 5.262 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.041 2.961 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.331 6.504 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.200 3.508 2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.490 7.051 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.399 5.548 1.472 1.00 0.00 H new ATOM 578 N VAL A 43 -1.613 3.804 3.352 1.00 0.00 N ATOM 579 CA VAL A 43 -0.263 3.778 3.889 1.00 0.00 C ATOM 580 C VAL A 43 -0.246 4.483 5.247 1.00 0.00 C ATOM 581 O VAL A 43 -0.874 5.527 5.417 1.00 0.00 O ATOM 582 CB VAL A 43 0.712 4.394 2.884 1.00 0.00 C ATOM 583 CG1 VAL A 43 2.031 4.772 3.560 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.952 3.450 1.704 1.00 0.00 C ATOM 0 H VAL A 43 -1.730 4.384 2.521 1.00 0.00 H new ATOM 0 HA VAL A 43 0.064 2.751 4.051 1.00 0.00 H new ATOM 0 HB VAL A 43 0.261 5.307 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.706 5.208 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.840 5.498 4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.489 3.880 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.649 3.912 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.372 2.512 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.007 3.253 1.198 1.00 0.00 H new ATOM 594 N SER A 44 0.479 3.883 6.179 1.00 0.00 N ATOM 595 CA SER A 44 0.587 4.440 7.517 1.00 0.00 C ATOM 596 C SER A 44 1.906 5.201 7.663 1.00 0.00 C ATOM 597 O SER A 44 2.063 6.008 8.578 1.00 0.00 O ATOM 598 CB SER A 44 0.487 3.344 8.580 1.00 0.00 C ATOM 599 OG SER A 44 1.720 3.153 9.268 1.00 0.00 O ATOM 0 H SER A 44 0.998 3.017 6.034 1.00 0.00 H new ATOM 0 HA SER A 44 -0.242 5.131 7.667 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.292 3.604 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.186 2.408 8.109 1.00 0.00 H new ATOM 0 HG SER A 44 1.614 2.447 9.939 1.00 0.00 H new ATOM 605 N PHE A 45 2.820 4.919 6.746 1.00 0.00 N ATOM 606 CA PHE A 45 4.120 5.567 6.761 1.00 0.00 C ATOM 607 C PHE A 45 5.007 5.042 5.631 1.00 0.00 C ATOM 608 O PHE A 45 4.732 3.987 5.060 1.00 0.00 O ATOM 609 CB PHE A 45 4.772 5.231 8.103 1.00 0.00 C ATOM 610 CG PHE A 45 6.271 5.533 8.160 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.700 6.805 8.383 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.174 4.531 7.989 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.091 7.086 8.436 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.565 4.812 8.041 1.00 0.00 C ATOM 615 CZ PHE A 45 8.994 6.083 8.264 1.00 0.00 C ATOM 0 H PHE A 45 2.686 4.250 5.988 1.00 0.00 H new ATOM 0 HA PHE A 45 4.001 6.642 6.624 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.269 5.792 8.890 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.617 4.173 8.316 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.983 7.601 8.520 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.833 3.521 7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.432 8.095 8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.282 4.016 7.903 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.052 6.296 8.305 1.00 0.00 H new ATOM 625 N ILE A 46 6.054 5.801 5.342 1.00 0.00 N ATOM 626 CA ILE A 46 6.983 5.425 4.290 1.00 0.00 C ATOM 627 C ILE A 46 8.416 5.569 4.806 1.00 0.00 C ATOM 628 O ILE A 46 8.861 6.674 5.113 1.00 0.00 O ATOM 629 CB ILE A 46 6.705 6.226 3.017 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.290 5.959 2.499 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.767 5.950 1.951 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.281 5.821 0.975 1.00 0.00 C ATOM 0 H ILE A 46 6.279 6.674 5.818 1.00 0.00 H new ATOM 0 HA ILE A 46 6.845 4.379 4.017 1.00 0.00 H new ATOM 0 HB ILE A 46 6.764 7.286 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.899 5.048 2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.630 6.773 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.545 6.532 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.748 6.232 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.766 4.889 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.264 5.632 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.650 6.742 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.923 4.991 0.681 1.00 0.00 H new ATOM 644 N LEU A 47 9.100 4.437 4.887 1.00 0.00 N ATOM 645 CA LEU A 47 10.473 4.423 5.360 1.00 0.00 C ATOM 646 C LEU A 47 11.272 5.502 4.626 1.00 0.00 C ATOM 647 O LEU A 47 10.932 5.876 3.504 1.00 0.00 O ATOM 648 CB LEU A 47 11.070 3.021 5.232 1.00 0.00 C ATOM 649 CG LEU A 47 12.507 2.855 5.731 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.532 2.427 7.200 1.00 0.00 C ATOM 651 CD2 LEU A 47 13.290 1.889 4.839 1.00 0.00 C ATOM 0 H LEU A 47 8.728 3.522 4.633 1.00 0.00 H new ATOM 0 HA LEU A 47 10.512 4.664 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.434 2.326 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.035 2.727 4.183 1.00 0.00 H new ATOM 0 HG LEU A 47 13.003 3.824 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.565 2.316 7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.037 3.184 7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.012 1.475 7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.308 1.789 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.804 0.913 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.317 2.275 3.820 1.00 0.00 H new ATOM 663 N ALA A 48 12.319 5.971 5.288 1.00 0.00 N ATOM 664 CA ALA A 48 13.169 6.999 4.712 1.00 0.00 C ATOM 665 C ALA A 48 14.333 6.337 3.971 1.00 0.00 C ATOM 666 O ALA A 48 15.205 5.731 4.592 1.00 0.00 O ATOM 667 CB ALA A 48 13.645 7.946 5.816 1.00 0.00 C ATOM 0 H ALA A 48 12.598 5.658 6.218 1.00 0.00 H new ATOM 0 HA ALA A 48 12.613 7.595 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.283 8.717 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.783 8.413 6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.209 7.383 6.560 1.00 0.00 H new ATOM 673 N GLY A 49 14.308 6.475 2.654 1.00 0.00 N ATOM 674 CA GLY A 49 15.350 5.897 1.822 1.00 0.00 C ATOM 675 C GLY A 49 14.857 4.625 1.129 1.00 0.00 C ATOM 676 O GLY A 49 15.520 4.104 0.234 1.00 0.00 O ATOM 0 H GLY A 49 13.583 6.978 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.667 6.623 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.223 5.667 2.433 1.00 0.00 H new ATOM 680 N GLY A 50 13.697 4.162 1.570 1.00 0.00 N ATOM 681 CA GLY A 50 13.107 2.961 1.004 1.00 0.00 C ATOM 682 C GLY A 50 12.716 3.179 -0.460 1.00 0.00 C ATOM 683 O GLY A 50 12.893 4.271 -0.997 1.00 0.00 O ATOM 0 H GLY A 50 13.150 4.597 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.815 2.135 1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.227 2.677 1.581 1.00 0.00 H new ATOM 687 N PRO A 51 12.179 2.094 -1.079 1.00 0.00 N ATOM 688 CA PRO A 51 11.762 2.156 -2.470 1.00 0.00 C ATOM 689 C PRO A 51 10.451 2.932 -2.615 1.00 0.00 C ATOM 690 O PRO A 51 10.230 3.601 -3.623 1.00 0.00 O ATOM 691 CB PRO A 51 11.646 0.707 -2.911 1.00 0.00 C ATOM 692 CG PRO A 51 11.549 -0.112 -1.633 1.00 0.00 C ATOM 693 CD PRO A 51 11.954 0.784 -0.474 1.00 0.00 C ATOM 0 HA PRO A 51 12.472 2.694 -3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.766 0.559 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.512 0.408 -3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.533 -0.482 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.201 -0.984 -1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.173 0.827 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.855 0.414 0.016 1.00 0.00 H new ATOM 701 N ALA A 52 9.616 2.816 -1.593 1.00 0.00 N ATOM 702 CA ALA A 52 8.333 3.498 -1.594 1.00 0.00 C ATOM 703 C ALA A 52 8.554 4.993 -1.352 1.00 0.00 C ATOM 704 O ALA A 52 7.658 5.802 -1.585 1.00 0.00 O ATOM 705 CB ALA A 52 7.418 2.867 -0.542 1.00 0.00 C ATOM 0 H ALA A 52 9.803 2.260 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 52 7.842 3.389 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.456 3.379 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.269 1.813 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.877 2.960 0.442 1.00 0.00 H new ATOM 711 N ASP A 53 9.753 5.313 -0.888 1.00 0.00 N ATOM 712 CA ASP A 53 10.103 6.696 -0.612 1.00 0.00 C ATOM 713 C ASP A 53 10.962 7.238 -1.756 1.00 0.00 C ATOM 714 O ASP A 53 10.675 8.301 -2.304 1.00 0.00 O ATOM 715 CB ASP A 53 10.912 6.812 0.682 1.00 0.00 C ATOM 716 CG ASP A 53 10.651 8.080 1.496 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.073 9.157 1.021 1.00 0.00 O ATOM 718 OD2 ASP A 53 10.035 7.945 2.576 1.00 0.00 O ATOM 0 H ASP A 53 10.494 4.639 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 53 9.178 7.264 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.695 5.946 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.973 6.769 0.435 1.00 0.00 H new ATOM 723 N LEU A 54 12.000 6.482 -2.084 1.00 0.00 N ATOM 724 CA LEU A 54 12.903 6.873 -3.153 1.00 0.00 C ATOM 725 C LEU A 54 12.098 7.112 -4.433 1.00 0.00 C ATOM 726 O LEU A 54 12.244 8.149 -5.077 1.00 0.00 O ATOM 727 CB LEU A 54 14.022 5.842 -3.314 1.00 0.00 C ATOM 728 CG LEU A 54 15.106 5.856 -2.235 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.316 5.023 -2.663 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.497 7.289 -1.869 1.00 0.00 C ATOM 0 H LEU A 54 12.236 5.601 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 54 13.399 7.812 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.573 4.849 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.498 6.000 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 54 14.699 5.394 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.072 5.050 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.006 3.992 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.733 5.433 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.269 7.270 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 54 15.878 7.799 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.623 7.820 -1.492 1.00 0.00 H new ATOM 742 N SER A 55 11.266 6.135 -4.761 1.00 0.00 N ATOM 743 CA SER A 55 10.438 6.225 -5.952 1.00 0.00 C ATOM 744 C SER A 55 9.895 7.647 -6.104 1.00 0.00 C ATOM 745 O SER A 55 9.991 8.240 -7.178 1.00 0.00 O ATOM 746 CB SER A 55 9.286 5.220 -5.900 1.00 0.00 C ATOM 747 OG SER A 55 9.747 3.875 -5.991 1.00 0.00 O ATOM 0 H SER A 55 11.147 5.277 -4.223 1.00 0.00 H new ATOM 0 HA SER A 55 11.056 5.983 -6.817 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.732 5.351 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.592 5.421 -6.716 1.00 0.00 H new ATOM 0 HG SER A 55 10.196 3.626 -5.156 1.00 0.00 H new ATOM 753 N GLY A 56 9.337 8.154 -5.015 1.00 0.00 N ATOM 754 CA GLY A 56 8.779 9.495 -5.014 1.00 0.00 C ATOM 755 C GLY A 56 7.274 9.463 -5.289 1.00 0.00 C ATOM 756 O GLY A 56 6.598 10.485 -5.186 1.00 0.00 O ATOM 0 H GLY A 56 9.259 7.659 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.966 9.970 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.278 10.101 -5.771 1.00 0.00 H new ATOM 760 N GLU A 57 6.793 8.277 -5.634 1.00 0.00 N ATOM 761 CA GLU A 57 5.381 8.098 -5.925 1.00 0.00 C ATOM 762 C GLU A 57 4.618 7.735 -4.650 1.00 0.00 C ATOM 763 O GLU A 57 3.704 8.452 -4.244 1.00 0.00 O ATOM 764 CB GLU A 57 5.175 7.037 -7.008 1.00 0.00 C ATOM 765 CG GLU A 57 5.958 7.388 -8.275 1.00 0.00 C ATOM 766 CD GLU A 57 5.154 7.041 -9.530 1.00 0.00 C ATOM 767 OE1 GLU A 57 4.005 7.524 -9.619 1.00 0.00 O ATOM 768 OE2 GLU A 57 5.707 6.300 -10.371 1.00 0.00 O ATOM 0 H GLU A 57 7.356 7.431 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 57 4.986 9.040 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.496 6.064 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.114 6.953 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.199 8.451 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.904 6.847 -8.284 1.00 0.00 H new ATOM 775 N LEU A 58 5.022 6.624 -4.053 1.00 0.00 N ATOM 776 CA LEU A 58 4.387 6.157 -2.832 1.00 0.00 C ATOM 777 C LEU A 58 4.690 7.139 -1.698 1.00 0.00 C ATOM 778 O LEU A 58 5.846 7.489 -1.467 1.00 0.00 O ATOM 779 CB LEU A 58 4.806 4.717 -2.527 1.00 0.00 C ATOM 780 CG LEU A 58 3.934 3.964 -1.520 1.00 0.00 C ATOM 781 CD1 LEU A 58 2.462 4.351 -1.673 1.00 0.00 C ATOM 782 CD2 LEU A 58 4.145 2.453 -1.635 1.00 0.00 C ATOM 0 H LEU A 58 5.781 6.033 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 58 3.304 6.131 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.814 4.156 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.830 4.729 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 58 4.241 4.256 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.864 3.802 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.348 5.421 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.124 4.106 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.514 1.941 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.881 2.124 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.190 2.216 -1.438 1.00 0.00 H new ATOM 794 N ARG A 59 3.630 7.555 -1.020 1.00 0.00 N ATOM 795 CA ARG A 59 3.767 8.490 0.084 1.00 0.00 C ATOM 796 C ARG A 59 2.878 8.064 1.254 1.00 0.00 C ATOM 797 O ARG A 59 1.918 7.317 1.069 1.00 0.00 O ATOM 798 CB ARG A 59 3.389 9.909 -0.345 1.00 0.00 C ATOM 799 CG ARG A 59 1.894 10.163 -0.141 1.00 0.00 C ATOM 800 CD ARG A 59 1.646 10.987 1.125 1.00 0.00 C ATOM 801 NE ARG A 59 0.192 11.103 1.376 1.00 0.00 N ATOM 802 CZ ARG A 59 -0.342 11.813 2.380 1.00 0.00 C ATOM 803 NH1 ARG A 59 0.454 12.473 3.232 1.00 0.00 N ATOM 804 NH2 ARG A 59 -1.672 11.862 2.531 1.00 0.00 N ATOM 0 H ARG A 59 2.673 7.262 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 59 4.811 8.484 0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.966 10.633 0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.647 10.057 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.489 10.688 -1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.366 9.212 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.134 10.515 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.085 11.979 1.015 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.443 10.612 0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.467 12.435 3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.047 13.013 3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.278 11.359 1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.079 12.402 3.295 1.00 0.00 H new ATOM 818 N ARG A 60 3.228 8.557 2.432 1.00 0.00 N ATOM 819 CA ARG A 60 2.474 8.237 3.632 1.00 0.00 C ATOM 820 C ARG A 60 1.107 8.922 3.598 1.00 0.00 C ATOM 821 O ARG A 60 1.003 10.122 3.852 1.00 0.00 O ATOM 822 CB ARG A 60 3.226 8.676 4.890 1.00 0.00 C ATOM 823 CG ARG A 60 2.356 8.507 6.137 1.00 0.00 C ATOM 824 CD ARG A 60 3.067 9.048 7.379 1.00 0.00 C ATOM 825 NE ARG A 60 2.105 9.777 8.235 1.00 0.00 N ATOM 826 CZ ARG A 60 2.460 10.617 9.217 1.00 0.00 C ATOM 827 NH1 ARG A 60 3.756 10.840 9.472 1.00 0.00 N ATOM 828 NH2 ARG A 60 1.518 11.235 9.943 1.00 0.00 N ATOM 0 H ARG A 60 4.024 9.176 2.582 1.00 0.00 H new ATOM 0 HA ARG A 60 2.342 7.155 3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.138 8.088 4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.528 9.719 4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.410 9.030 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.119 7.453 6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.515 8.227 7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.879 9.712 7.083 1.00 0.00 H new ATOM 0 HE ARG A 60 1.110 9.631 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.473 10.370 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.026 11.479 10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.531 11.066 9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.788 11.874 10.690 1.00 0.00 H new ATOM 842 N GLY A 61 0.091 8.132 3.282 1.00 0.00 N ATOM 843 CA GLY A 61 -1.265 8.648 3.212 1.00 0.00 C ATOM 844 C GLY A 61 -1.980 8.142 1.957 1.00 0.00 C ATOM 845 O GLY A 61 -3.190 8.313 1.816 1.00 0.00 O ATOM 0 H GLY A 61 0.180 7.138 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.820 8.343 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.244 9.738 3.208 1.00 0.00 H new ATOM 849 N ASP A 62 -1.201 7.530 1.077 1.00 0.00 N ATOM 850 CA ASP A 62 -1.744 6.998 -0.161 1.00 0.00 C ATOM 851 C ASP A 62 -2.659 5.813 0.156 1.00 0.00 C ATOM 852 O ASP A 62 -2.431 5.090 1.126 1.00 0.00 O ATOM 853 CB ASP A 62 -0.629 6.501 -1.083 1.00 0.00 C ATOM 854 CG ASP A 62 -0.529 7.227 -2.426 1.00 0.00 C ATOM 855 OD1 ASP A 62 0.008 8.355 -2.422 1.00 0.00 O ATOM 856 OD2 ASP A 62 -0.991 6.637 -3.426 1.00 0.00 O ATOM 0 H ASP A 62 -0.198 7.391 1.197 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.294 7.797 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.323 6.599 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.781 5.438 -1.272 1.00 0.00 H new ATOM 861 N ARG A 63 -3.674 5.650 -0.679 1.00 0.00 N ATOM 862 CA ARG A 63 -4.624 4.565 -0.500 1.00 0.00 C ATOM 863 C ARG A 63 -4.265 3.390 -1.411 1.00 0.00 C ATOM 864 O ARG A 63 -4.386 3.486 -2.632 1.00 0.00 O ATOM 865 CB ARG A 63 -6.050 5.025 -0.810 1.00 0.00 C ATOM 866 CG ARG A 63 -7.061 3.915 -0.513 1.00 0.00 C ATOM 867 CD ARG A 63 -8.421 4.231 -1.137 1.00 0.00 C ATOM 868 NE ARG A 63 -9.211 2.988 -1.287 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.436 2.937 -1.826 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.021 4.059 -2.269 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.078 1.765 -1.921 1.00 0.00 N ATOM 0 H ARG A 63 -3.860 6.251 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.575 4.249 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.288 5.907 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.122 5.317 -1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.690 2.967 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.170 3.797 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.961 4.941 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.283 4.703 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.796 2.116 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.533 4.952 -2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.954 4.020 -2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.634 0.911 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.011 1.726 -2.332 1.00 0.00 H new ATOM 885 N ILE A 64 -3.831 2.307 -0.783 1.00 0.00 N ATOM 886 CA ILE A 64 -3.454 1.114 -1.522 1.00 0.00 C ATOM 887 C ILE A 64 -4.704 0.487 -2.143 1.00 0.00 C ATOM 888 O ILE A 64 -5.444 -0.227 -1.469 1.00 0.00 O ATOM 889 CB ILE A 64 -2.666 0.156 -0.627 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.397 0.823 -0.093 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.361 -1.153 -1.359 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.246 0.693 -1.093 1.00 0.00 C ATOM 0 H ILE A 64 -3.732 2.231 0.229 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.784 1.371 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.285 -0.094 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.592 1.877 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.113 0.366 0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.800 -1.816 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.295 -1.634 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.770 -0.942 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.644 1.176 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.037 -0.362 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.524 1.172 -2.032 1.00 0.00 H new ATOM 904 N LEU A 65 -4.900 0.777 -3.421 1.00 0.00 N ATOM 905 CA LEU A 65 -6.048 0.251 -4.140 1.00 0.00 C ATOM 906 C LEU A 65 -5.846 -1.244 -4.390 1.00 0.00 C ATOM 907 O LEU A 65 -6.682 -2.060 -4.007 1.00 0.00 O ATOM 908 CB LEU A 65 -6.298 1.060 -5.415 1.00 0.00 C ATOM 909 CG LEU A 65 -7.098 2.352 -5.243 1.00 0.00 C ATOM 910 CD1 LEU A 65 -8.430 2.083 -4.541 1.00 0.00 C ATOM 911 CD2 LEU A 65 -6.272 3.416 -4.518 1.00 0.00 C ATOM 0 H LEU A 65 -4.283 1.369 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.953 0.355 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.334 1.309 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.822 0.424 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.330 2.744 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.979 3.018 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.019 1.384 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.242 1.655 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.864 4.324 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.988 3.047 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.374 3.636 -5.096 1.00 0.00 H new ATOM 923 N SER A 66 -4.730 -1.559 -5.032 1.00 0.00 N ATOM 924 CA SER A 66 -4.407 -2.942 -5.338 1.00 0.00 C ATOM 925 C SER A 66 -2.895 -3.157 -5.255 1.00 0.00 C ATOM 926 O SER A 66 -2.122 -2.207 -5.372 1.00 0.00 O ATOM 927 CB SER A 66 -4.925 -3.335 -6.723 1.00 0.00 C ATOM 928 OG SER A 66 -4.575 -2.375 -7.716 1.00 0.00 O ATOM 0 H SER A 66 -4.038 -0.880 -5.349 1.00 0.00 H new ATOM 0 HA SER A 66 -4.898 -3.579 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.518 -4.308 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.009 -3.441 -6.688 1.00 0.00 H new ATOM 0 HG SER A 66 -4.922 -2.663 -8.586 1.00 0.00 H new ATOM 934 N VAL A 67 -2.517 -4.412 -5.055 1.00 0.00 N ATOM 935 CA VAL A 67 -1.111 -4.763 -4.956 1.00 0.00 C ATOM 936 C VAL A 67 -0.805 -5.902 -5.930 1.00 0.00 C ATOM 937 O VAL A 67 -1.584 -6.846 -6.052 1.00 0.00 O ATOM 938 CB VAL A 67 -0.758 -5.105 -3.507 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.339 -6.170 -3.446 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.349 -3.851 -2.732 1.00 0.00 C ATOM 0 H VAL A 67 -3.161 -5.198 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.485 -3.916 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.650 -5.516 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.571 -6.394 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.005 -7.076 -3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.234 -5.799 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.103 -4.122 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.522 -3.398 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.174 -3.138 -2.732 1.00 0.00 H new ATOM 950 N ASN A 68 0.332 -5.776 -6.599 1.00 0.00 N ATOM 951 CA ASN A 68 0.751 -6.783 -7.559 1.00 0.00 C ATOM 952 C ASN A 68 -0.466 -7.265 -8.351 1.00 0.00 C ATOM 953 O ASN A 68 -0.503 -8.407 -8.806 1.00 0.00 O ATOM 954 CB ASN A 68 1.366 -7.994 -6.855 1.00 0.00 C ATOM 955 CG ASN A 68 2.849 -8.136 -7.203 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.461 -7.263 -7.796 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.391 -9.284 -6.804 1.00 0.00 N ATOM 0 H ASN A 68 0.976 -4.992 -6.495 1.00 0.00 H new ATOM 0 HA ASN A 68 1.494 -6.332 -8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.250 -7.889 -5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.832 -8.898 -7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.375 -9.475 -6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.822 -9.973 -6.312 1.00 0.00 H new ATOM 964 N GLY A 69 -1.433 -6.370 -8.491 1.00 0.00 N ATOM 965 CA GLY A 69 -2.649 -6.690 -9.219 1.00 0.00 C ATOM 966 C GLY A 69 -3.596 -7.532 -8.362 1.00 0.00 C ATOM 967 O GLY A 69 -3.985 -8.630 -8.757 1.00 0.00 O ATOM 0 H GLY A 69 -1.399 -5.423 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.148 -5.770 -9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.399 -7.232 -10.131 1.00 0.00 H new ATOM 971 N VAL A 70 -3.940 -6.986 -7.205 1.00 0.00 N ATOM 972 CA VAL A 70 -4.834 -7.673 -6.289 1.00 0.00 C ATOM 973 C VAL A 70 -5.906 -6.697 -5.800 1.00 0.00 C ATOM 974 O VAL A 70 -5.625 -5.519 -5.583 1.00 0.00 O ATOM 975 CB VAL A 70 -4.032 -8.301 -5.147 1.00 0.00 C ATOM 976 CG1 VAL A 70 -3.701 -7.263 -4.074 1.00 0.00 C ATOM 977 CG2 VAL A 70 -4.778 -9.494 -4.545 1.00 0.00 C ATOM 0 H VAL A 70 -3.615 -6.075 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.346 -8.490 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.092 -8.667 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.131 -7.736 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.111 -6.460 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.625 -6.853 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.187 -9.922 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.740 -9.162 -4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.939 -10.249 -5.315 1.00 0.00 H new ATOM 987 N ASN A 71 -7.112 -7.223 -5.642 1.00 0.00 N ATOM 988 CA ASN A 71 -8.227 -6.412 -5.182 1.00 0.00 C ATOM 989 C ASN A 71 -8.271 -6.433 -3.653 1.00 0.00 C ATOM 990 O ASN A 71 -8.592 -7.457 -3.051 1.00 0.00 O ATOM 991 CB ASN A 71 -9.557 -6.962 -5.701 1.00 0.00 C ATOM 992 CG ASN A 71 -10.620 -5.863 -5.757 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.602 -4.989 -6.608 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.545 -5.955 -4.806 1.00 0.00 N ATOM 0 H ASN A 71 -7.341 -8.200 -5.824 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.084 -5.398 -5.556 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.416 -7.387 -6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.898 -7.770 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.298 -5.268 -4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.502 -6.712 -4.124 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.944 -5.290 -3.068 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.943 -5.163 -1.621 1.00 0.00 C ATOM 1003 C LEU A 72 -8.911 -4.052 -1.209 1.00 0.00 C ATOM 1004 O LEU A 72 -9.115 -3.811 -0.020 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.518 -4.960 -1.103 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.476 -5.970 -1.590 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.057 -5.443 -1.369 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.689 -7.336 -0.936 1.00 0.00 C ATOM 0 H LEU A 72 -7.678 -4.443 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.299 -6.083 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.188 -3.961 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.541 -4.989 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.606 -6.104 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.336 -6.180 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.925 -4.512 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.898 -5.262 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.935 -8.035 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.602 -7.239 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.682 -7.709 -1.188 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.481 -3.405 -2.215 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.423 -2.326 -1.972 1.00 0.00 C ATOM 1022 C ARG A 73 -11.288 -2.641 -0.751 1.00 0.00 C ATOM 1023 O ARG A 73 -11.645 -1.743 0.010 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.328 -2.101 -3.185 1.00 0.00 C ATOM 1025 CG ARG A 73 -10.659 -1.177 -4.205 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.286 -1.344 -5.590 1.00 0.00 C ATOM 1027 NE ARG A 73 -12.070 -0.138 -5.939 1.00 0.00 N ATOM 1028 CZ ARG A 73 -12.790 -0.009 -7.062 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -12.829 -1.010 -7.952 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -13.470 1.122 -7.295 1.00 0.00 N ATOM 0 H ARG A 73 -9.309 -3.607 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.847 -1.419 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.559 -3.058 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.274 -1.667 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.756 -0.141 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.593 -1.397 -4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.506 -1.509 -6.334 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.930 -2.223 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.062 0.644 -5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.311 -1.870 -7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.377 -0.912 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.439 1.884 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.018 1.221 -8.150 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.601 -3.920 -0.600 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.417 -4.365 0.516 1.00 0.00 C ATOM 1046 C ASN A 74 -11.773 -5.596 1.155 1.00 0.00 C ATOM 1047 O ASN A 74 -12.441 -6.605 1.380 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.822 -4.754 0.050 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.434 -3.657 -0.823 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.757 -3.859 -1.982 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.574 -2.488 -0.205 1.00 0.00 N ATOM 0 H ASN A 74 -11.304 -4.662 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.488 -3.544 1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.777 -5.687 -0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.460 -4.933 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.973 -1.692 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.283 -2.387 0.767 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.483 -5.474 1.430 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.741 -6.565 2.039 1.00 0.00 C ATOM 1060 C ALA A 75 -9.243 -6.130 3.419 1.00 0.00 C ATOM 1061 O ALA A 75 -8.927 -4.960 3.628 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.597 -6.984 1.112 1.00 0.00 C ATOM 0 H ALA A 75 -9.932 -4.636 1.242 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.383 -7.435 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.040 -7.802 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.005 -7.312 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.930 -6.137 0.951 1.00 0.00 H new ATOM 1068 N THR A 76 -9.189 -7.096 4.324 1.00 0.00 N ATOM 1069 CA THR A 76 -8.735 -6.827 5.678 1.00 0.00 C ATOM 1070 C THR A 76 -7.265 -6.401 5.674 1.00 0.00 C ATOM 1071 O THR A 76 -6.633 -6.352 4.620 1.00 0.00 O ATOM 1072 CB THR A 76 -9.003 -8.074 6.523 1.00 0.00 C ATOM 1073 OG1 THR A 76 -8.311 -9.114 5.837 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.470 -8.509 6.476 1.00 0.00 C ATOM 0 H THR A 76 -9.452 -8.065 4.147 1.00 0.00 H new ATOM 0 HA THR A 76 -9.281 -5.993 6.119 1.00 0.00 H new ATOM 0 HB THR A 76 -8.714 -7.881 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.430 -9.959 6.318 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.606 -9.398 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.100 -7.705 6.855 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.750 -8.735 5.447 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.765 -6.105 6.864 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.381 -5.685 7.010 1.00 0.00 C ATOM 1084 C HIS A 77 -4.452 -6.831 6.609 1.00 0.00 C ATOM 1085 O HIS A 77 -3.580 -6.660 5.758 1.00 0.00 O ATOM 1086 CB HIS A 77 -5.116 -5.174 8.428 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.869 -4.332 8.554 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.424 -3.828 9.764 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.978 -3.912 7.611 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.315 -3.137 9.546 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -2.040 -3.190 8.211 1.00 0.00 N ATOM 0 H HIS A 77 -7.293 -6.147 7.736 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.178 -4.849 6.341 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.973 -4.587 8.758 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.036 -6.027 9.102 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.873 -3.965 10.669 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.027 -4.130 6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.731 -2.622 10.294 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.669 -7.975 7.241 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.861 -9.150 6.960 1.00 0.00 C ATOM 1101 C GLU A 78 -3.941 -9.507 5.475 1.00 0.00 C ATOM 1102 O GLU A 78 -2.935 -9.865 4.864 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.291 -10.332 7.832 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.106 -11.254 8.129 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.538 -12.440 8.994 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -4.082 -13.401 8.408 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.315 -12.359 10.221 1.00 0.00 O ATOM 0 H GLU A 78 -5.392 -8.113 7.947 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.824 -8.920 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.713 -9.964 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.076 -10.894 7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.680 -11.617 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.323 -10.693 8.639 1.00 0.00 H new ATOM 1114 N GLN A 79 -5.146 -9.396 4.936 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.371 -9.703 3.534 1.00 0.00 C ATOM 1116 C GLN A 79 -4.585 -8.734 2.647 1.00 0.00 C ATOM 1117 O GLN A 79 -4.102 -9.115 1.582 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.863 -9.668 3.197 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.535 -10.997 3.546 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.985 -11.023 3.059 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -9.453 -10.129 2.373 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.668 -12.095 3.450 1.00 0.00 N ATOM 0 H GLN A 79 -5.978 -9.097 5.446 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.013 -10.714 3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.344 -8.858 3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.995 -9.457 2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.981 -11.819 3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.507 -11.150 4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.216 -12.807 4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.644 -12.206 3.176 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.482 -7.500 3.119 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.764 -6.475 2.382 1.00 0.00 C ATOM 1133 C ALA A 80 -2.259 -6.688 2.555 1.00 0.00 C ATOM 1134 O ALA A 80 -1.467 -6.253 1.721 1.00 0.00 O ATOM 1135 CB ALA A 80 -4.216 -5.093 2.859 1.00 0.00 C ATOM 0 H ALA A 80 -4.884 -7.187 4.003 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.986 -6.541 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.677 -4.323 2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.287 -4.981 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.006 -4.989 3.924 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.910 -7.358 3.644 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.514 -7.634 3.937 1.00 0.00 C ATOM 1143 C ALA A 81 -0.097 -8.929 3.237 1.00 0.00 C ATOM 1144 O ALA A 81 0.986 -9.006 2.659 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.313 -7.699 5.452 1.00 0.00 C ATOM 0 H ALA A 81 -2.570 -7.718 4.334 1.00 0.00 H new ATOM 0 HA ALA A 81 0.123 -6.835 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.734 -7.906 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.595 -6.745 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.935 -8.492 5.868 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.979 -9.915 3.313 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.716 -11.203 2.694 1.00 0.00 C ATOM 1153 C ALA A 82 -0.456 -11.003 1.200 1.00 0.00 C ATOM 1154 O ALA A 82 0.126 -11.866 0.546 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.890 -12.147 2.961 1.00 0.00 C ATOM 0 H ALA A 82 -1.876 -9.848 3.794 1.00 0.00 H new ATOM 0 HA ALA A 82 0.175 -11.661 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.693 -13.113 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.013 -12.279 4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.802 -11.722 2.541 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.902 -9.858 0.703 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.726 -9.534 -0.703 1.00 0.00 C ATOM 1163 C ALA A 83 0.710 -9.058 -0.935 1.00 0.00 C ATOM 1164 O ALA A 83 1.182 -9.030 -2.071 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.762 -8.488 -1.119 1.00 0.00 C ATOM 0 H ALA A 83 -1.385 -9.144 1.248 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.886 -10.415 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.630 -8.245 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.764 -8.886 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.630 -7.587 -0.520 1.00 0.00 H new ATOM 1171 N LEU A 84 1.363 -8.694 0.158 1.00 0.00 N ATOM 1172 CA LEU A 84 2.735 -8.221 0.088 1.00 0.00 C ATOM 1173 C LEU A 84 3.687 -9.381 0.384 1.00 0.00 C ATOM 1174 O LEU A 84 4.886 -9.287 0.128 1.00 0.00 O ATOM 1175 CB LEU A 84 2.933 -7.013 1.006 1.00 0.00 C ATOM 1176 CG LEU A 84 2.635 -5.645 0.390 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.235 -5.534 -1.013 1.00 0.00 C ATOM 1178 CD2 LEU A 84 1.132 -5.357 0.395 1.00 0.00 C ATOM 0 H LEU A 84 0.967 -8.717 1.098 1.00 0.00 H new ATOM 0 HA LEU A 84 2.965 -7.869 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.298 -7.140 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.965 -7.014 1.357 1.00 0.00 H new ATOM 0 HG LEU A 84 3.111 -4.882 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.009 -4.552 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.316 -5.665 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.808 -6.306 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.948 -4.378 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.613 -6.121 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.763 -5.366 1.421 1.00 0.00 H new ATOM 1190 N LYS A 85 3.116 -10.450 0.920 1.00 0.00 N ATOM 1191 CA LYS A 85 3.899 -11.628 1.254 1.00 0.00 C ATOM 1192 C LYS A 85 3.961 -12.556 0.039 1.00 0.00 C ATOM 1193 O LYS A 85 4.879 -13.365 -0.082 1.00 0.00 O ATOM 1194 CB LYS A 85 3.345 -12.300 2.513 1.00 0.00 C ATOM 1195 CG LYS A 85 3.918 -11.653 3.776 1.00 0.00 C ATOM 1196 CD LYS A 85 2.816 -10.970 4.589 1.00 0.00 C ATOM 1197 CE LYS A 85 3.412 -10.119 5.713 1.00 0.00 C ATOM 1198 NZ LYS A 85 3.179 -10.759 7.026 1.00 0.00 N ATOM 0 H LYS A 85 2.121 -10.525 1.131 1.00 0.00 H new ATOM 0 HA LYS A 85 4.925 -11.348 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.258 -12.224 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.590 -13.362 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.409 -12.411 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.679 -10.922 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.212 -10.342 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.151 -11.723 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.482 -9.988 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.964 -9.125 5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.590 -10.169 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.156 -10.861 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.627 -11.697 7.039 1.00 0.00 H new ATOM 1212 N ARG A 86 2.972 -12.407 -0.830 1.00 0.00 N ATOM 1213 CA ARG A 86 2.902 -13.221 -2.031 1.00 0.00 C ATOM 1214 C ARG A 86 3.636 -12.531 -3.183 1.00 0.00 C ATOM 1215 O ARG A 86 3.926 -13.156 -4.202 1.00 0.00 O ATOM 1216 CB ARG A 86 1.450 -13.476 -2.441 1.00 0.00 C ATOM 1217 CG ARG A 86 0.808 -12.206 -3.004 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.327 -12.548 -3.971 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.511 -11.450 -4.946 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.358 -11.500 -5.983 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -2.104 -12.594 -6.186 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -1.458 -10.456 -6.816 1.00 0.00 N ATOM 0 H ARG A 86 2.212 -11.734 -0.726 1.00 0.00 H new ATOM 0 HA ARG A 86 3.378 -14.177 -1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.413 -14.268 -3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.881 -13.824 -1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.423 -11.596 -2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.562 -11.610 -3.519 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.101 -13.477 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.251 -12.711 -3.417 1.00 0.00 H new ATOM 0 HE ARG A 86 0.042 -10.602 -4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.027 -13.389 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.749 -12.632 -6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.890 -9.623 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.103 -10.494 -7.606 1.00 0.00 H new ATOM 1236 N ALA A 87 3.914 -11.251 -2.983 1.00 0.00 N ATOM 1237 CA ALA A 87 4.609 -10.470 -3.992 1.00 0.00 C ATOM 1238 C ALA A 87 6.012 -11.044 -4.199 1.00 0.00 C ATOM 1239 O ALA A 87 6.195 -12.260 -4.199 1.00 0.00 O ATOM 1240 CB ALA A 87 4.637 -8.999 -3.570 1.00 0.00 C ATOM 0 H ALA A 87 3.671 -10.735 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 87 4.086 -10.525 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.158 -8.413 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.616 -8.631 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.156 -8.904 -2.616 1.00 0.00 H new ATOM 1246 N GLY A 88 6.966 -10.141 -4.371 1.00 0.00 N ATOM 1247 CA GLY A 88 8.347 -10.542 -4.579 1.00 0.00 C ATOM 1248 C GLY A 88 9.264 -9.321 -4.677 1.00 0.00 C ATOM 1249 O GLY A 88 9.005 -8.294 -4.053 1.00 0.00 O ATOM 0 H GLY A 88 6.810 -9.133 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.672 -11.180 -3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.424 -11.133 -5.491 1.00 0.00 H new ATOM 1253 N GLN A 89 10.317 -9.474 -5.467 1.00 0.00 N ATOM 1254 CA GLN A 89 11.274 -8.397 -5.655 1.00 0.00 C ATOM 1255 C GLN A 89 10.601 -7.201 -6.330 1.00 0.00 C ATOM 1256 O GLN A 89 10.697 -6.074 -5.846 1.00 0.00 O ATOM 1257 CB GLN A 89 12.484 -8.873 -6.462 1.00 0.00 C ATOM 1258 CG GLN A 89 13.654 -9.225 -5.540 1.00 0.00 C ATOM 1259 CD GLN A 89 14.993 -8.992 -6.242 1.00 0.00 C ATOM 1260 OE1 GLN A 89 15.080 -8.895 -7.455 1.00 0.00 O ATOM 1261 NE2 GLN A 89 16.030 -8.907 -5.414 1.00 0.00 N ATOM 0 H GLN A 89 10.528 -10.327 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 89 11.633 -8.082 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.209 -9.745 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.789 -8.094 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.603 -8.620 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.578 -10.268 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.888 -8.997 -4.408 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.967 -8.752 -5.785 1.00 0.00 H new ATOM 1270 N SER A 90 9.933 -7.486 -7.439 1.00 0.00 N ATOM 1271 CA SER A 90 9.244 -6.448 -8.186 1.00 0.00 C ATOM 1272 C SER A 90 7.740 -6.518 -7.913 1.00 0.00 C ATOM 1273 O SER A 90 7.041 -7.356 -8.479 1.00 0.00 O ATOM 1274 CB SER A 90 9.517 -6.575 -9.686 1.00 0.00 C ATOM 1275 OG SER A 90 10.279 -7.739 -9.993 1.00 0.00 O ATOM 0 H SER A 90 9.855 -8.422 -7.838 1.00 0.00 H new ATOM 0 HA SER A 90 9.623 -5.481 -7.856 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.570 -6.609 -10.225 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.050 -5.690 -10.034 1.00 0.00 H new ATOM 0 HG SER A 90 10.431 -7.785 -10.960 1.00 0.00 H new ATOM 1281 N VAL A 91 7.286 -5.626 -7.044 1.00 0.00 N ATOM 1282 CA VAL A 91 5.878 -5.576 -6.689 1.00 0.00 C ATOM 1283 C VAL A 91 5.261 -4.294 -7.251 1.00 0.00 C ATOM 1284 O VAL A 91 5.891 -3.237 -7.235 1.00 0.00 O ATOM 1285 CB VAL A 91 5.716 -5.703 -5.173 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.270 -6.040 -4.803 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.685 -6.741 -4.603 1.00 0.00 C ATOM 0 H VAL A 91 7.869 -4.932 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 91 5.342 -6.416 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 91 5.959 -4.738 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.182 -6.125 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.609 -5.250 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.987 -6.986 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.549 -6.812 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.487 -7.712 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.710 -6.440 -4.821 1.00 0.00 H new ATOM 1297 N THR A 92 4.035 -4.429 -7.736 1.00 0.00 N ATOM 1298 CA THR A 92 3.325 -3.294 -8.302 1.00 0.00 C ATOM 1299 C THR A 92 2.214 -2.835 -7.356 1.00 0.00 C ATOM 1300 O THR A 92 1.146 -3.444 -7.304 1.00 0.00 O ATOM 1301 CB THR A 92 2.815 -3.699 -9.687 1.00 0.00 C ATOM 1302 OG1 THR A 92 4.001 -3.995 -10.420 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.190 -2.526 -10.446 1.00 0.00 C ATOM 0 H THR A 92 3.515 -5.307 -7.749 1.00 0.00 H new ATOM 0 HA THR A 92 3.984 -2.434 -8.421 1.00 0.00 H new ATOM 0 HB THR A 92 2.081 -4.498 -9.585 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.763 -4.269 -11.330 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.844 -2.867 -11.422 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.346 -2.134 -9.879 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.934 -1.741 -10.579 1.00 0.00 H new ATOM 1311 N ILE A 93 2.503 -1.764 -6.631 1.00 0.00 N ATOM 1312 CA ILE A 93 1.541 -1.215 -5.690 1.00 0.00 C ATOM 1313 C ILE A 93 0.813 -0.037 -6.340 1.00 0.00 C ATOM 1314 O ILE A 93 1.420 0.996 -6.617 1.00 0.00 O ATOM 1315 CB ILE A 93 2.227 -0.861 -4.369 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.655 -2.123 -3.617 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.336 0.041 -3.513 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.116 -2.467 -3.910 1.00 0.00 C ATOM 0 H ILE A 93 3.390 -1.262 -6.676 1.00 0.00 H new ATOM 0 HA ILE A 93 0.784 -1.959 -5.441 1.00 0.00 H new ATOM 0 HB ILE A 93 3.133 -0.298 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.520 -1.975 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.016 -2.957 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.847 0.278 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.124 0.963 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.401 -0.474 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.394 -3.368 -3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.242 -2.638 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.754 -1.641 -3.597 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.479 -0.232 -6.563 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.296 0.802 -7.175 1.00 0.00 C ATOM 1332 C VAL A 94 -2.130 1.493 -6.094 1.00 0.00 C ATOM 1333 O VAL A 94 -3.153 0.964 -5.661 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.149 0.200 -8.294 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -2.864 1.296 -9.088 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.302 -0.681 -9.215 1.00 0.00 C ATOM 0 H VAL A 94 -0.979 -1.090 -6.331 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.667 1.563 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.910 -0.431 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.463 0.842 -9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.513 1.864 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.126 1.964 -9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.932 -1.097 -10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.509 -0.082 -9.663 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.860 -1.493 -8.637 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.662 2.665 -5.690 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.351 3.434 -4.668 1.00 0.00 C ATOM 1348 C ALA A 95 -2.638 4.839 -5.201 1.00 0.00 C ATOM 1349 O ALA A 95 -1.947 5.320 -6.097 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.510 3.455 -3.390 1.00 0.00 C ATOM 0 H ALA A 95 -0.814 3.101 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.307 2.973 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.027 4.032 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.360 2.435 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.543 3.913 -3.598 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.659 5.458 -4.626 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.045 6.799 -5.031 1.00 0.00 C ATOM 1358 C GLN A 96 -3.930 7.765 -3.850 1.00 0.00 C ATOM 1359 O GLN A 96 -4.470 7.504 -2.776 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.461 6.810 -5.612 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.507 6.939 -4.504 1.00 0.00 C ATOM 1362 CD GLN A 96 -7.918 7.028 -5.089 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.711 7.885 -4.736 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.185 6.098 -6.001 1.00 0.00 N ATOM 0 H GLN A 96 -4.230 5.056 -3.883 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.363 7.131 -5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.564 7.639 -6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.634 5.893 -6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.441 6.081 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.301 7.827 -3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.475 5.410 -6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.100 6.073 -6.451 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.224 8.860 -4.089 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.031 9.866 -3.058 1.00 0.00 C ATOM 1375 C TYR A 97 -4.372 10.433 -2.588 1.00 0.00 C ATOM 1376 O TYR A 97 -4.899 11.369 -3.188 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.217 10.986 -3.709 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.386 11.807 -2.720 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.839 11.997 -1.430 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.185 12.357 -3.118 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -1.057 12.770 -0.500 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.597 13.129 -2.188 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.122 13.297 -0.924 1.00 0.00 C ATOM 1384 OH TYR A 97 0.860 14.027 -0.045 1.00 0.00 O ATOM 0 H TYR A 97 -2.778 9.073 -4.981 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.531 9.436 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.551 10.551 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.896 11.654 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.779 11.566 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.169 12.208 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.400 12.927 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.539 13.565 -2.487 1.00 0.00 H new ATOM 0 HH TYR A 97 1.678 14.340 -0.485 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.886 9.843 -1.519 1.00 0.00 N ATOM 1395 CA ARG A 98 -6.155 10.278 -0.961 1.00 0.00 C ATOM 1396 C ARG A 98 -6.014 10.538 0.540 1.00 0.00 C ATOM 1397 O ARG A 98 -6.244 9.643 1.353 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.245 9.229 -1.190 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.350 9.775 -2.097 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.194 10.820 -1.365 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.408 10.187 -0.803 1.00 0.00 N ATOM 1402 CZ ARG A 98 -11.350 9.583 -1.540 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -11.224 9.526 -2.873 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -12.418 9.035 -0.944 1.00 0.00 N ATOM 0 H ARG A 98 -4.446 9.067 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.441 11.200 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.808 8.337 -1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.671 8.927 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.907 10.219 -2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.988 8.957 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.609 11.277 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.475 11.618 -2.052 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.536 10.212 0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.411 9.942 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.941 9.066 -3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.514 9.078 0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.135 8.575 -1.505 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.628 11.799 0.871 1.00 0.00 N ATOM 1419 CA PRO A 99 -5.454 12.188 2.260 1.00 0.00 C ATOM 1420 C PRO A 99 -6.807 12.384 2.948 1.00 0.00 C ATOM 1421 O PRO A 99 -6.890 12.378 4.175 1.00 0.00 O ATOM 1422 CB PRO A 99 -4.622 13.459 2.212 1.00 0.00 C ATOM 1423 CG PRO A 99 -4.754 13.989 0.793 1.00 0.00 C ATOM 1424 CD PRO A 99 -5.348 12.884 -0.065 1.00 0.00 C ATOM 0 HA PRO A 99 -4.952 11.422 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.982 14.189 2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.580 13.253 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.393 14.872 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -3.781 14.291 0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.256 13.218 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.651 12.568 -0.841 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.833 12.555 2.127 1.00 0.00 N ATOM 1433 CA GLU A 100 -9.177 12.753 2.641 1.00 0.00 C ATOM 1434 C GLU A 100 -9.581 11.581 3.538 1.00 0.00 C ATOM 1435 O GLU A 100 -10.133 11.782 4.618 1.00 0.00 O ATOM 1436 CB GLU A 100 -10.179 12.939 1.500 1.00 0.00 C ATOM 1437 CG GLU A 100 -11.292 13.909 1.900 1.00 0.00 C ATOM 1438 CD GLU A 100 -12.124 14.321 0.684 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -11.655 15.220 -0.047 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -13.211 13.728 0.513 1.00 0.00 O ATOM 0 H GLU A 100 -7.760 12.560 1.110 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.184 13.664 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.664 13.316 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.611 11.975 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.936 13.441 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.858 14.794 2.365 1.00 0.00 H new ATOM 1447 N GLU A 101 -9.289 10.381 3.057 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.614 9.177 3.802 1.00 0.00 C ATOM 1449 C GLU A 101 -8.655 9.006 4.982 1.00 0.00 C ATOM 1450 O GLU A 101 -9.077 9.019 6.137 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.589 7.946 2.893 1.00 0.00 C ATOM 1452 CG GLU A 101 -11.007 7.518 2.510 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.482 6.354 3.381 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.101 6.342 4.571 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.217 5.501 2.837 1.00 0.00 O ATOM 0 H GLU A 101 -8.831 10.217 2.160 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.626 9.279 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.016 8.166 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.082 7.125 3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.688 8.362 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.031 7.225 1.460 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.381 8.852 4.650 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.359 8.679 5.668 1.00 0.00 C ATOM 1464 C TYR A 102 -6.655 9.544 6.895 1.00 0.00 C ATOM 1465 O TYR A 102 -6.395 9.133 8.025 1.00 0.00 O ATOM 1466 CB TYR A 102 -5.048 9.149 5.032 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.795 8.693 5.782 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.647 7.368 6.136 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.813 9.608 6.105 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.467 6.939 6.842 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.633 9.179 6.810 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.519 7.866 7.144 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.404 7.461 7.811 1.00 0.00 O ATOM 0 H TYR A 102 -7.034 8.843 3.691 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.316 7.641 5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.000 8.780 4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -5.051 10.238 4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.416 6.652 5.884 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.930 10.646 5.829 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.338 5.905 7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.856 9.884 7.068 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.159 8.135 8.479 1.00 0.00 H new ATOM 1483 N SER A 103 -7.195 10.724 6.631 1.00 0.00 N ATOM 1484 CA SER A 103 -7.530 11.650 7.700 1.00 0.00 C ATOM 1485 C SER A 103 -8.095 10.884 8.897 1.00 0.00 C ATOM 1486 O SER A 103 -7.761 11.182 10.043 1.00 0.00 O ATOM 1487 CB SER A 103 -8.532 12.703 7.222 1.00 0.00 C ATOM 1488 OG SER A 103 -8.452 13.902 7.989 1.00 0.00 O ATOM 0 H SER A 103 -7.409 11.061 5.692 1.00 0.00 H new ATOM 0 HA SER A 103 -6.619 12.166 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.346 12.931 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.542 12.298 7.286 1.00 0.00 H new ATOM 0 HG SER A 103 -9.106 14.550 7.652 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.942 9.912 8.591 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.557 9.101 9.628 1.00 0.00 C ATOM 1496 C ARG A 104 -8.486 8.528 10.559 1.00 0.00 C ATOM 1497 O ARG A 104 -8.577 8.670 11.777 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.365 7.952 9.023 1.00 0.00 C ATOM 1499 CG ARG A 104 -11.644 7.699 9.824 1.00 0.00 C ATOM 1500 CD ARG A 104 -12.698 6.995 8.967 1.00 0.00 C ATOM 1501 NE ARG A 104 -13.959 6.856 9.729 1.00 0.00 N ATOM 1502 CZ ARG A 104 -15.025 6.168 9.297 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -14.989 5.552 8.108 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -16.127 6.095 10.056 1.00 0.00 N ATOM 0 H ARG A 104 -9.217 9.668 7.640 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.230 9.744 10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.620 8.187 7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.758 7.047 9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.415 7.090 10.698 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.041 8.646 10.190 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.876 7.564 8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.336 6.012 8.665 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.021 7.312 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.150 5.606 7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.801 5.029 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -16.154 6.563 10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -16.939 5.572 9.728 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.497 7.892 9.948 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.410 7.296 10.707 1.00 0.00 C ATOM 1520 C PHE A 105 -5.490 8.373 11.284 1.00 0.00 C ATOM 1521 O PHE A 105 -5.140 8.329 12.463 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.610 6.427 9.734 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.417 5.285 9.113 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.945 4.314 9.907 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.607 5.240 7.767 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.693 3.255 9.330 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.355 4.180 7.190 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.883 3.210 7.984 1.00 0.00 C ATOM 0 H PHE A 105 -7.425 7.776 8.937 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.811 6.715 11.538 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.219 7.058 8.936 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.751 6.008 10.259 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.795 4.349 10.976 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.189 6.011 7.137 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.112 2.484 9.960 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.505 4.144 6.121 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.453 2.404 7.546 1.00 0.00 H new ATOM 1538 N GLU A 106 -5.124 9.315 10.427 1.00 0.00 N ATOM 1539 CA GLU A 106 -4.251 10.402 10.838 1.00 0.00 C ATOM 1540 C GLU A 106 -4.647 10.906 12.227 1.00 0.00 C ATOM 1541 O GLU A 106 -3.800 11.034 13.110 1.00 0.00 O ATOM 1542 CB GLU A 106 -4.274 11.540 9.815 1.00 0.00 C ATOM 1543 CG GLU A 106 -3.150 11.379 8.790 1.00 0.00 C ATOM 1544 CD GLU A 106 -1.953 12.263 9.145 1.00 0.00 C ATOM 1545 OE1 GLU A 106 -1.393 12.046 10.242 1.00 0.00 O ATOM 1546 OE2 GLU A 106 -1.624 13.135 8.313 1.00 0.00 O ATOM 0 H GLU A 106 -5.416 9.348 9.450 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.230 10.022 10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.237 11.555 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.169 12.496 10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.837 10.336 8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.518 11.640 7.798 1.00 0.00 H new ATOM 1553 N SER A 107 -5.935 11.178 12.378 1.00 0.00 N ATOM 1554 CA SER A 107 -6.454 11.664 13.645 1.00 0.00 C ATOM 1555 C SER A 107 -6.190 10.637 14.748 1.00 0.00 C ATOM 1556 O SER A 107 -5.522 10.939 15.735 1.00 0.00 O ATOM 1557 CB SER A 107 -7.951 11.965 13.548 1.00 0.00 C ATOM 1558 OG SER A 107 -8.293 13.187 14.197 1.00 0.00 O ATOM 0 H SER A 107 -6.635 11.071 11.644 1.00 0.00 H new ATOM 0 HA SER A 107 -5.939 12.593 13.891 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.243 12.017 12.499 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.515 11.147 13.995 1.00 0.00 H new ATOM 0 HG SER A 107 -9.256 13.344 14.111 1.00 0.00 H new ATOM 1564 N SER A 108 -6.728 9.444 14.542 1.00 0.00 N ATOM 1565 CA SER A 108 -6.559 8.371 15.507 1.00 0.00 C ATOM 1566 C SER A 108 -5.177 7.733 15.344 1.00 0.00 C ATOM 1567 O SER A 108 -5.025 6.749 14.622 1.00 0.00 O ATOM 1568 CB SER A 108 -7.653 7.313 15.352 1.00 0.00 C ATOM 1569 OG SER A 108 -8.847 7.675 16.040 1.00 0.00 O ATOM 0 H SER A 108 -7.281 9.197 13.721 1.00 0.00 H new ATOM 0 HA SER A 108 -6.641 8.795 16.508 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.873 7.171 14.294 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.290 6.358 15.733 1.00 0.00 H new ATOM 0 HG SER A 108 -9.521 6.975 15.915 1.00 0.00 H new ATOM 1575 N GLY A 109 -4.205 8.321 16.026 1.00 0.00 N ATOM 1576 CA GLY A 109 -2.842 7.823 15.966 1.00 0.00 C ATOM 1577 C GLY A 109 -2.505 6.996 17.208 1.00 0.00 C ATOM 1578 O GLY A 109 -3.400 6.568 17.935 1.00 0.00 O ATOM 0 H GLY A 109 -4.335 9.138 16.623 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.713 7.212 15.072 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.149 8.660 15.883 1.00 0.00 H new ATOM 1582 N PRO A 110 -1.177 6.791 17.419 1.00 0.00 N ATOM 1583 CA PRO A 110 -0.710 6.023 18.561 1.00 0.00 C ATOM 1584 C PRO A 110 -0.825 6.836 19.852 1.00 0.00 C ATOM 1585 O PRO A 110 0.031 7.669 20.144 1.00 0.00 O ATOM 1586 CB PRO A 110 0.723 5.646 18.222 1.00 0.00 C ATOM 1587 CG PRO A 110 1.157 6.602 17.123 1.00 0.00 C ATOM 1588 CD PRO A 110 -0.089 7.283 16.579 1.00 0.00 C ATOM 0 HA PRO A 110 -1.310 5.131 18.742 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.368 5.737 19.096 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.785 4.611 17.886 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.856 7.341 17.514 1.00 0.00 H new ATOM 0 HG3 PRO A 110 1.674 6.062 16.330 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.004 8.368 16.636 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.253 7.031 15.531 1.00 0.00 H new ATOM 1596 N SER A 111 -1.891 6.565 20.591 1.00 0.00 N ATOM 1597 CA SER A 111 -2.129 7.261 21.844 1.00 0.00 C ATOM 1598 C SER A 111 -0.822 7.387 22.629 1.00 0.00 C ATOM 1599 O SER A 111 -0.447 8.482 23.046 1.00 0.00 O ATOM 1600 CB SER A 111 -3.185 6.538 22.684 1.00 0.00 C ATOM 1601 OG SER A 111 -3.770 7.396 23.659 1.00 0.00 O ATOM 0 H SER A 111 -2.599 5.873 20.346 1.00 0.00 H new ATOM 0 HA SER A 111 -2.506 8.258 21.615 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.965 6.148 22.029 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.729 5.682 23.181 1.00 0.00 H new ATOM 0 HG SER A 111 -4.440 6.898 24.173 1.00 0.00 H new ATOM 1607 N SER A 112 -0.164 6.251 22.808 1.00 0.00 N ATOM 1608 CA SER A 112 1.093 6.220 23.536 1.00 0.00 C ATOM 1609 C SER A 112 0.848 6.515 25.017 1.00 0.00 C ATOM 1610 O SER A 112 0.868 5.607 25.846 1.00 0.00 O ATOM 1611 CB SER A 112 2.091 7.223 22.953 1.00 0.00 C ATOM 1612 OG SER A 112 3.271 6.584 22.473 1.00 0.00 O ATOM 0 H SER A 112 -0.478 5.345 22.461 1.00 0.00 H new ATOM 0 HA SER A 112 1.521 5.222 23.437 1.00 0.00 H new ATOM 0 HB2 SER A 112 1.619 7.772 22.138 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.359 7.953 23.716 1.00 0.00 H new ATOM 0 HG SER A 112 3.882 7.257 22.107 1.00 0.00 H new ATOM 1618 N GLY A 113 0.621 7.789 25.304 1.00 0.00 N ATOM 1619 CA GLY A 113 0.372 8.215 26.671 1.00 0.00 C ATOM 1620 C GLY A 113 -0.725 9.280 26.722 1.00 0.00 C ATOM 1621 O GLY A 113 -0.440 10.459 26.926 1.00 0.00 O ATOM 0 H GLY A 113 0.604 8.540 24.613 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.079 7.357 27.276 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.290 8.612 27.105 1.00 0.00 H new TER 1625 GLY A 113