USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 746 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 64 HIS : no HE2:sc= 0 K(o=-1.3,f=-2.2) USER MOD Set 1.2: A 112 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.481 (180deg=0.233) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.026) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.565 K(o=0.56,f=-3.3!) USER MOD Single : A 8 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.58) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 10 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.04) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.137 K(o=0.14,f=-6.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 176:sc= 0 (180deg=-0.0138) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.277 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 91 LYS NZ :NH3+ -136:sc= 1.27 (180deg=0.278) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -135:sc= -1.83 (180deg=-5.16!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0.38 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.475 18.791 -21.932 1.00 0.00 N ATOM 2 CA MET A 1 15.660 19.030 -20.699 1.00 0.00 C ATOM 3 C MET A 1 14.165 19.160 -21.029 1.00 0.00 C ATOM 4 O MET A 1 13.797 19.520 -22.148 1.00 0.00 O ATOM 5 CB MET A 1 16.127 20.266 -19.886 1.00 0.00 C ATOM 6 CG MET A 1 17.454 20.069 -19.131 1.00 0.00 C ATOM 7 SD MET A 1 18.982 20.057 -20.120 1.00 0.00 S ATOM 8 CE MET A 1 19.150 21.826 -20.493 1.00 0.00 C ATOM 0 H1 MET A 1 17.445 19.135 -21.779 1.00 0.00 H new ATOM 0 H2 MET A 1 16.498 17.772 -22.141 1.00 0.00 H new ATOM 0 H3 MET A 1 16.050 19.299 -22.733 1.00 0.00 H new ATOM 0 HA MET A 1 15.815 18.151 -20.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.232 21.113 -20.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.350 20.527 -19.168 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.540 20.861 -18.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.396 19.126 -18.588 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.043 21.987 -21.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.273 22.166 -21.044 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.234 22.388 -19.563 1.00 0.00 H new ATOM 20 N ARG A 2 13.297 18.868 -20.048 1.00 0.00 N ATOM 21 CA ARG A 2 11.822 18.932 -20.163 1.00 0.00 C ATOM 22 C ARG A 2 11.274 20.365 -20.292 1.00 0.00 C ATOM 23 O ARG A 2 11.877 21.317 -19.790 1.00 0.00 O ATOM 24 CB ARG A 2 11.184 18.160 -18.988 1.00 0.00 C ATOM 25 CG ARG A 2 11.409 18.826 -17.611 1.00 0.00 C ATOM 26 CD ARG A 2 11.228 17.819 -16.462 1.00 0.00 C ATOM 27 NE ARG A 2 11.572 18.440 -15.164 1.00 0.00 N ATOM 28 CZ ARG A 2 12.220 17.892 -14.151 1.00 0.00 C ATOM 29 NH1 ARG A 2 12.611 16.650 -14.162 1.00 0.00 N ATOM 30 NH2 ARG A 2 12.493 18.593 -13.089 1.00 0.00 N ATOM 0 H ARG A 2 13.606 18.571 -19.122 1.00 0.00 H new ATOM 0 HA ARG A 2 11.540 18.451 -21.100 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.113 18.066 -19.166 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.593 17.150 -18.964 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.412 19.250 -17.570 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.709 19.652 -17.486 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.197 17.466 -16.440 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.860 16.947 -16.633 1.00 0.00 H new ATOM 0 HE ARG A 2 11.273 19.407 -15.036 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.420 16.062 -14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.109 16.265 -13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.207 19.570 -13.036 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.993 18.165 -12.310 1.00 0.00 H new ATOM 44 N GLY A 3 10.119 20.504 -20.941 1.00 0.00 N ATOM 45 CA GLY A 3 9.396 21.772 -21.114 1.00 0.00 C ATOM 46 C GLY A 3 8.213 21.639 -22.081 1.00 0.00 C ATOM 47 O GLY A 3 8.409 21.351 -23.265 1.00 0.00 O ATOM 0 H GLY A 3 9.642 19.715 -21.376 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.034 22.117 -20.145 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.083 22.532 -21.486 1.00 0.00 H new ATOM 51 N SER A 4 6.992 21.848 -21.577 1.00 0.00 N ATOM 52 CA SER A 4 5.719 21.647 -22.301 1.00 0.00 C ATOM 53 C SER A 4 4.954 22.943 -22.624 1.00 0.00 C ATOM 54 O SER A 4 3.888 22.894 -23.249 1.00 0.00 O ATOM 55 CB SER A 4 4.829 20.680 -21.506 1.00 0.00 C ATOM 56 OG SER A 4 4.558 21.196 -20.207 1.00 0.00 O ATOM 0 H SER A 4 6.851 22.173 -20.621 1.00 0.00 H new ATOM 0 HA SER A 4 5.981 21.223 -23.271 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.893 20.517 -22.040 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.321 19.711 -21.422 1.00 0.00 H new ATOM 0 HG SER A 4 3.989 20.567 -19.717 1.00 0.00 H new ATOM 62 N HIS A 5 5.490 24.106 -22.227 1.00 0.00 N ATOM 63 CA HIS A 5 4.880 25.434 -22.399 1.00 0.00 C ATOM 64 C HIS A 5 5.767 26.383 -23.226 1.00 0.00 C ATOM 65 O HIS A 5 6.999 26.303 -23.177 1.00 0.00 O ATOM 66 CB HIS A 5 4.562 26.019 -21.014 1.00 0.00 C ATOM 67 CG HIS A 5 3.868 27.360 -21.073 1.00 0.00 C ATOM 68 ND1 HIS A 5 4.480 28.604 -20.887 1.00 0.00 N ATOM 69 CD2 HIS A 5 2.551 27.555 -21.370 1.00 0.00 C ATOM 70 CE1 HIS A 5 3.514 29.521 -21.077 1.00 0.00 C ATOM 71 NE2 HIS A 5 2.347 28.919 -21.367 1.00 0.00 N ATOM 0 H HIS A 5 6.395 24.150 -21.759 1.00 0.00 H new ATOM 0 HA HIS A 5 3.956 25.323 -22.966 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.933 25.317 -20.467 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.489 26.123 -20.450 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.813 26.792 -21.568 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.656 30.589 -21.007 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.462 29.391 -21.553 1.00 0.00 H new ATOM 79 N HIS A 6 5.133 27.289 -23.975 1.00 0.00 N ATOM 80 CA HIS A 6 5.770 28.311 -24.817 1.00 0.00 C ATOM 81 C HIS A 6 4.917 29.591 -24.902 1.00 0.00 C ATOM 82 O HIS A 6 3.708 29.567 -24.654 1.00 0.00 O ATOM 83 CB HIS A 6 6.033 27.734 -26.221 1.00 0.00 C ATOM 84 CG HIS A 6 4.781 27.385 -26.999 1.00 0.00 C ATOM 85 ND1 HIS A 6 4.073 26.181 -26.912 1.00 0.00 N ATOM 86 CD2 HIS A 6 4.159 28.196 -27.904 1.00 0.00 C ATOM 87 CE1 HIS A 6 3.037 26.299 -27.762 1.00 0.00 C ATOM 88 NE2 HIS A 6 3.065 27.499 -28.371 1.00 0.00 N ATOM 0 H HIS A 6 4.115 27.334 -24.014 1.00 0.00 H new ATOM 0 HA HIS A 6 6.719 28.589 -24.359 1.00 0.00 H new ATOM 0 HB2 HIS A 6 6.613 28.457 -26.795 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.647 26.839 -26.123 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.464 29.190 -28.197 1.00 0.00 H new ATOM 0 HE1 HIS A 6 2.289 25.539 -27.932 1.00 0.00 H new ATOM 0 HE2 HIS A 6 2.392 27.835 -29.060 1.00 0.00 H new ATOM 96 N HIS A 7 5.542 30.711 -25.285 1.00 0.00 N ATOM 97 CA HIS A 7 4.875 32.005 -25.509 1.00 0.00 C ATOM 98 C HIS A 7 5.498 32.770 -26.690 1.00 0.00 C ATOM 99 O HIS A 7 6.674 32.580 -27.016 1.00 0.00 O ATOM 100 CB HIS A 7 4.909 32.832 -24.213 1.00 0.00 C ATOM 101 CG HIS A 7 3.915 33.969 -24.216 1.00 0.00 C ATOM 102 ND1 HIS A 7 4.152 35.260 -24.693 1.00 0.00 N ATOM 103 CD2 HIS A 7 2.620 33.883 -23.792 1.00 0.00 C ATOM 104 CE1 HIS A 7 2.994 35.926 -24.539 1.00 0.00 C ATOM 105 NE2 HIS A 7 2.060 35.125 -23.999 1.00 0.00 N ATOM 0 H HIS A 7 6.548 30.746 -25.452 1.00 0.00 H new ATOM 0 HA HIS A 7 3.835 31.820 -25.778 1.00 0.00 H new ATOM 0 HB2 HIS A 7 4.703 32.178 -23.365 1.00 0.00 H new ATOM 0 HB3 HIS A 7 5.912 33.233 -24.070 1.00 0.00 H new ATOM 0 HD2 HIS A 7 2.131 33.014 -23.377 1.00 0.00 H new ATOM 0 HE1 HIS A 7 2.837 36.959 -24.811 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.100 35.391 -23.780 1.00 0.00 H new ATOM 113 N HIS A 8 4.709 33.623 -27.350 1.00 0.00 N ATOM 114 CA HIS A 8 5.082 34.319 -28.591 1.00 0.00 C ATOM 115 C HIS A 8 5.809 35.661 -28.391 1.00 0.00 C ATOM 116 O HIS A 8 6.447 36.145 -29.329 1.00 0.00 O ATOM 117 CB HIS A 8 3.815 34.507 -29.442 1.00 0.00 C ATOM 118 CG HIS A 8 2.757 35.359 -28.779 1.00 0.00 C ATOM 119 ND1 HIS A 8 1.747 34.887 -27.934 1.00 0.00 N ATOM 120 CD2 HIS A 8 2.647 36.717 -28.883 1.00 0.00 C ATOM 121 CE1 HIS A 8 1.050 35.973 -27.551 1.00 0.00 C ATOM 122 NE2 HIS A 8 1.569 37.083 -28.106 1.00 0.00 N ATOM 0 H HIS A 8 3.769 33.856 -27.030 1.00 0.00 H new ATOM 0 HA HIS A 8 5.813 33.690 -29.099 1.00 0.00 H new ATOM 0 HB2 HIS A 8 4.091 34.962 -30.393 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.392 33.528 -29.668 1.00 0.00 H new ATOM 0 HD2 HIS A 8 3.280 37.374 -29.460 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.195 35.956 -26.891 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.224 38.034 -27.974 1.00 0.00 H new ATOM 130 N HIS A 9 5.721 36.281 -27.207 1.00 0.00 N ATOM 131 CA HIS A 9 6.264 37.623 -26.942 1.00 0.00 C ATOM 132 C HIS A 9 7.664 37.597 -26.305 1.00 0.00 C ATOM 133 O HIS A 9 7.919 36.846 -25.358 1.00 0.00 O ATOM 134 CB HIS A 9 5.276 38.422 -26.080 1.00 0.00 C ATOM 135 CG HIS A 9 5.689 39.865 -25.903 1.00 0.00 C ATOM 136 ND1 HIS A 9 6.444 40.373 -24.839 1.00 0.00 N ATOM 137 CD2 HIS A 9 5.433 40.876 -26.784 1.00 0.00 C ATOM 138 CE1 HIS A 9 6.619 41.679 -25.103 1.00 0.00 C ATOM 139 NE2 HIS A 9 6.022 42.008 -26.262 1.00 0.00 N ATOM 0 H HIS A 9 5.266 35.862 -26.396 1.00 0.00 H new ATOM 0 HA HIS A 9 6.388 38.118 -27.905 1.00 0.00 H new ATOM 0 HB2 HIS A 9 4.288 38.385 -26.539 1.00 0.00 H new ATOM 0 HB3 HIS A 9 5.191 37.950 -25.101 1.00 0.00 H new ATOM 0 HD2 HIS A 9 4.878 40.803 -27.708 1.00 0.00 H new ATOM 0 HE1 HIS A 9 7.163 42.367 -24.473 1.00 0.00 H new ATOM 0 HE2 HIS A 9 6.007 42.937 -26.683 1.00 0.00 H new ATOM 147 N HIS A 10 8.561 38.455 -26.807 1.00 0.00 N ATOM 148 CA HIS A 10 9.876 38.761 -26.220 1.00 0.00 C ATOM 149 C HIS A 10 10.370 40.153 -26.659 1.00 0.00 C ATOM 150 O HIS A 10 10.061 40.605 -27.766 1.00 0.00 O ATOM 151 CB HIS A 10 10.894 37.680 -26.627 1.00 0.00 C ATOM 152 CG HIS A 10 12.260 37.883 -26.012 1.00 0.00 C ATOM 153 ND1 HIS A 10 12.521 38.039 -24.645 1.00 0.00 N ATOM 154 CD2 HIS A 10 13.432 37.999 -26.700 1.00 0.00 C ATOM 155 CE1 HIS A 10 13.847 38.236 -24.543 1.00 0.00 C ATOM 156 NE2 HIS A 10 14.418 38.217 -25.761 1.00 0.00 N ATOM 0 H HIS A 10 8.386 38.976 -27.666 1.00 0.00 H new ATOM 0 HA HIS A 10 9.775 38.769 -25.135 1.00 0.00 H new ATOM 0 HB2 HIS A 10 10.512 36.702 -26.333 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.990 37.671 -27.713 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.562 37.933 -27.770 1.00 0.00 H new ATOM 0 HE1 HIS A 10 14.378 38.388 -23.615 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.411 38.342 -25.957 1.00 0.00 H new ATOM 164 N GLY A 11 11.161 40.822 -25.814 1.00 0.00 N ATOM 165 CA GLY A 11 11.826 42.095 -26.127 1.00 0.00 C ATOM 166 C GLY A 11 12.233 42.914 -24.894 1.00 0.00 C ATOM 167 O GLY A 11 11.703 42.719 -23.797 1.00 0.00 O ATOM 0 H GLY A 11 11.362 40.488 -24.872 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.716 41.890 -26.723 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.160 42.697 -26.745 1.00 0.00 H new ATOM 171 N SER A 28 13.174 43.847 -25.082 1.00 0.00 N ATOM 172 CA SER A 28 13.604 44.831 -24.073 1.00 0.00 C ATOM 173 C SER A 28 14.165 46.107 -24.722 1.00 0.00 C ATOM 174 O SER A 28 14.816 46.048 -25.768 1.00 0.00 O ATOM 175 CB SER A 28 14.664 44.219 -23.148 1.00 0.00 C ATOM 176 OG SER A 28 15.008 45.139 -22.119 1.00 0.00 O ATOM 0 H SER A 28 13.674 43.944 -25.966 1.00 0.00 H new ATOM 0 HA SER A 28 12.723 45.104 -23.492 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.285 43.296 -22.709 1.00 0.00 H new ATOM 0 HB3 SER A 28 15.552 43.957 -23.723 1.00 0.00 H new ATOM 0 HG SER A 28 15.684 44.738 -21.534 1.00 0.00 H new ATOM 182 N VAL A 29 13.920 47.260 -24.086 1.00 0.00 N ATOM 183 CA VAL A 29 14.392 48.599 -24.507 1.00 0.00 C ATOM 184 C VAL A 29 15.040 49.398 -23.358 1.00 0.00 C ATOM 185 O VAL A 29 15.293 50.597 -23.490 1.00 0.00 O ATOM 186 CB VAL A 29 13.266 49.409 -25.193 1.00 0.00 C ATOM 187 CG1 VAL A 29 12.782 48.732 -26.481 1.00 0.00 C ATOM 188 CG2 VAL A 29 12.054 49.641 -24.279 1.00 0.00 C ATOM 0 H VAL A 29 13.367 47.294 -23.230 1.00 0.00 H new ATOM 0 HA VAL A 29 15.178 48.427 -25.242 1.00 0.00 H new ATOM 0 HB VAL A 29 13.714 50.375 -25.429 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.992 49.332 -26.932 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.614 48.643 -27.180 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.396 47.740 -26.248 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.298 50.214 -24.816 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.636 48.680 -23.979 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.367 50.193 -23.393 1.00 0.00 H new ATOM 198 N SER A 30 15.318 48.747 -22.222 1.00 0.00 N ATOM 199 CA SER A 30 15.730 49.372 -20.951 1.00 0.00 C ATOM 200 C SER A 30 17.237 49.700 -20.893 1.00 0.00 C ATOM 201 O SER A 30 17.951 49.271 -19.981 1.00 0.00 O ATOM 202 CB SER A 30 15.282 48.494 -19.771 1.00 0.00 C ATOM 203 OG SER A 30 13.874 48.284 -19.810 1.00 0.00 O ATOM 0 H SER A 30 15.261 47.731 -22.156 1.00 0.00 H new ATOM 0 HA SER A 30 15.229 50.338 -20.881 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.799 47.535 -19.807 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.558 48.970 -18.830 1.00 0.00 H new ATOM 0 HG SER A 30 13.606 47.722 -19.053 1.00 0.00 H new ATOM 209 N PHE A 31 17.727 50.446 -21.888 1.00 0.00 N ATOM 210 CA PHE A 31 19.148 50.742 -22.125 1.00 0.00 C ATOM 211 C PHE A 31 19.412 52.234 -22.420 1.00 0.00 C ATOM 212 O PHE A 31 18.489 52.999 -22.717 1.00 0.00 O ATOM 213 CB PHE A 31 19.651 49.856 -23.281 1.00 0.00 C ATOM 214 CG PHE A 31 19.482 48.364 -23.045 1.00 0.00 C ATOM 215 CD1 PHE A 31 20.354 47.685 -22.171 1.00 0.00 C ATOM 216 CD2 PHE A 31 18.444 47.654 -23.683 1.00 0.00 C ATOM 217 CE1 PHE A 31 20.186 46.309 -21.933 1.00 0.00 C ATOM 218 CE2 PHE A 31 18.276 46.279 -23.443 1.00 0.00 C ATOM 219 CZ PHE A 31 19.147 45.607 -22.567 1.00 0.00 C ATOM 0 H PHE A 31 17.119 50.880 -22.582 1.00 0.00 H new ATOM 0 HA PHE A 31 19.697 50.519 -21.210 1.00 0.00 H new ATOM 0 HB2 PHE A 31 19.119 50.130 -24.192 1.00 0.00 H new ATOM 0 HB3 PHE A 31 20.706 50.068 -23.453 1.00 0.00 H new ATOM 0 HD1 PHE A 31 21.153 48.222 -21.683 1.00 0.00 H new ATOM 0 HD2 PHE A 31 17.776 48.168 -24.358 1.00 0.00 H new ATOM 0 HE1 PHE A 31 20.856 45.792 -21.262 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.478 45.739 -23.931 1.00 0.00 H new ATOM 0 HZ PHE A 31 19.017 44.551 -22.381 1.00 0.00 H new ATOM 229 N GLY A 32 20.688 52.634 -22.362 1.00 0.00 N ATOM 230 CA GLY A 32 21.175 53.994 -22.637 1.00 0.00 C ATOM 231 C GLY A 32 21.550 54.760 -21.361 1.00 0.00 C ATOM 232 O GLY A 32 20.678 55.184 -20.598 1.00 0.00 O ATOM 0 H GLY A 32 21.442 51.994 -22.112 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.045 53.938 -23.291 1.00 0.00 H new ATOM 0 HA3 GLY A 32 20.406 54.548 -23.176 1.00 0.00 H new ATOM 236 N ALA A 33 22.857 54.940 -21.144 1.00 0.00 N ATOM 237 CA ALA A 33 23.455 55.689 -20.033 1.00 0.00 C ATOM 238 C ALA A 33 24.849 56.248 -20.424 1.00 0.00 C ATOM 239 O ALA A 33 25.517 55.653 -21.281 1.00 0.00 O ATOM 240 CB ALA A 33 23.564 54.752 -18.819 1.00 0.00 C ATOM 0 H ALA A 33 23.561 54.548 -21.769 1.00 0.00 H new ATOM 0 HA ALA A 33 22.824 56.543 -19.786 1.00 0.00 H new ATOM 0 HB1 ALA A 33 24.007 55.291 -17.982 1.00 0.00 H new ATOM 0 HB2 ALA A 33 22.570 54.401 -18.540 1.00 0.00 H new ATOM 0 HB3 ALA A 33 24.192 53.898 -19.074 1.00 0.00 H new ATOM 246 N PRO A 34 25.315 57.361 -19.820 1.00 0.00 N ATOM 247 CA PRO A 34 26.636 57.929 -20.097 1.00 0.00 C ATOM 248 C PRO A 34 27.779 57.063 -19.527 1.00 0.00 C ATOM 249 O PRO A 34 27.691 56.552 -18.406 1.00 0.00 O ATOM 250 CB PRO A 34 26.612 59.331 -19.481 1.00 0.00 C ATOM 251 CG PRO A 34 25.630 59.188 -18.317 1.00 0.00 C ATOM 252 CD PRO A 34 24.604 58.188 -18.852 1.00 0.00 C ATOM 0 HA PRO A 34 26.833 57.967 -21.168 1.00 0.00 H new ATOM 0 HB2 PRO A 34 27.600 59.636 -19.138 1.00 0.00 H new ATOM 0 HB3 PRO A 34 26.278 60.080 -20.199 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.122 58.819 -17.417 1.00 0.00 H new ATOM 0 HG3 PRO A 34 25.168 60.141 -18.059 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.195 57.580 -18.045 1.00 0.00 H new ATOM 0 HD3 PRO A 34 23.765 58.703 -19.320 1.00 0.00 H new ATOM 260 N SER A 35 28.874 56.950 -20.291 1.00 0.00 N ATOM 261 CA SER A 35 30.075 56.163 -19.946 1.00 0.00 C ATOM 262 C SER A 35 31.378 56.908 -20.319 1.00 0.00 C ATOM 263 O SER A 35 32.117 56.455 -21.202 1.00 0.00 O ATOM 264 CB SER A 35 30.014 54.776 -20.616 1.00 0.00 C ATOM 265 OG SER A 35 28.903 54.016 -20.154 1.00 0.00 O ATOM 0 H SER A 35 28.955 57.416 -21.195 1.00 0.00 H new ATOM 0 HA SER A 35 30.087 56.026 -18.865 1.00 0.00 H new ATOM 0 HB2 SER A 35 29.948 54.897 -21.697 1.00 0.00 H new ATOM 0 HB3 SER A 35 30.937 54.233 -20.412 1.00 0.00 H new ATOM 0 HG SER A 35 28.895 53.144 -20.601 1.00 0.00 H new ATOM 271 N PRO A 36 31.668 58.075 -19.704 1.00 0.00 N ATOM 272 CA PRO A 36 32.842 58.886 -20.030 1.00 0.00 C ATOM 273 C PRO A 36 34.161 58.198 -19.627 1.00 0.00 C ATOM 274 O PRO A 36 34.313 57.723 -18.496 1.00 0.00 O ATOM 275 CB PRO A 36 32.634 60.215 -19.293 1.00 0.00 C ATOM 276 CG PRO A 36 31.782 59.823 -18.086 1.00 0.00 C ATOM 277 CD PRO A 36 30.895 58.711 -18.644 1.00 0.00 C ATOM 0 HA PRO A 36 32.933 59.035 -21.106 1.00 0.00 H new ATOM 0 HB2 PRO A 36 33.582 60.658 -18.988 1.00 0.00 H new ATOM 0 HB3 PRO A 36 32.127 60.948 -19.921 1.00 0.00 H new ATOM 0 HG2 PRO A 36 32.395 59.473 -17.255 1.00 0.00 H new ATOM 0 HG3 PRO A 36 31.193 60.663 -17.717 1.00 0.00 H new ATOM 0 HD2 PRO A 36 30.634 57.993 -17.867 1.00 0.00 H new ATOM 0 HD3 PRO A 36 29.960 59.115 -19.032 1.00 0.00 H new ATOM 285 N LEU A 37 35.128 58.167 -20.552 1.00 0.00 N ATOM 286 CA LEU A 37 36.469 57.594 -20.361 1.00 0.00 C ATOM 287 C LEU A 37 37.485 58.227 -21.332 1.00 0.00 C ATOM 288 O LEU A 37 37.218 58.337 -22.531 1.00 0.00 O ATOM 289 CB LEU A 37 36.383 56.064 -20.570 1.00 0.00 C ATOM 290 CG LEU A 37 37.706 55.293 -20.392 1.00 0.00 C ATOM 291 CD1 LEU A 37 38.258 55.396 -18.968 1.00 0.00 C ATOM 292 CD2 LEU A 37 37.484 53.814 -20.708 1.00 0.00 C ATOM 0 H LEU A 37 34.995 58.553 -21.487 1.00 0.00 H new ATOM 0 HA LEU A 37 36.817 57.807 -19.350 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.651 55.660 -19.871 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.004 55.873 -21.574 1.00 0.00 H new ATOM 0 HG LEU A 37 38.428 55.742 -21.075 1.00 0.00 H new ATOM 0 HD11 LEU A 37 39.190 54.835 -18.898 1.00 0.00 H new ATOM 0 HD12 LEU A 37 38.444 56.442 -18.725 1.00 0.00 H new ATOM 0 HD13 LEU A 37 37.533 54.984 -18.266 1.00 0.00 H new ATOM 0 HD21 LEU A 37 38.420 53.270 -20.582 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.733 53.406 -20.031 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.140 53.709 -21.737 1.00 0.00 H new ATOM 304 N SER A 38 38.665 58.605 -20.826 1.00 0.00 N ATOM 305 CA SER A 38 39.819 59.046 -21.630 1.00 0.00 C ATOM 306 C SER A 38 41.141 58.814 -20.880 1.00 0.00 C ATOM 307 O SER A 38 41.263 59.176 -19.705 1.00 0.00 O ATOM 308 CB SER A 38 39.679 60.532 -21.985 1.00 0.00 C ATOM 309 OG SER A 38 40.736 60.932 -22.848 1.00 0.00 O ATOM 0 H SER A 38 38.852 58.614 -19.823 1.00 0.00 H new ATOM 0 HA SER A 38 39.835 58.454 -22.545 1.00 0.00 H new ATOM 0 HB2 SER A 38 38.718 60.709 -22.468 1.00 0.00 H new ATOM 0 HB3 SER A 38 39.694 61.134 -21.076 1.00 0.00 H new ATOM 0 HG SER A 38 40.636 61.881 -23.070 1.00 0.00 H new ATOM 315 N SER A 39 42.129 58.204 -21.549 1.00 0.00 N ATOM 316 CA SER A 39 43.491 57.990 -21.029 1.00 0.00 C ATOM 317 C SER A 39 44.478 57.756 -22.188 1.00 0.00 C ATOM 318 O SER A 39 44.762 56.619 -22.572 1.00 0.00 O ATOM 319 CB SER A 39 43.498 56.812 -20.040 1.00 0.00 C ATOM 320 OG SER A 39 44.745 56.740 -19.362 1.00 0.00 O ATOM 0 H SER A 39 42.002 57.835 -22.492 1.00 0.00 H new ATOM 0 HA SER A 39 43.814 58.883 -20.494 1.00 0.00 H new ATOM 0 HB2 SER A 39 42.691 56.931 -19.317 1.00 0.00 H new ATOM 0 HB3 SER A 39 43.313 55.880 -20.574 1.00 0.00 H new ATOM 0 HG SER A 39 44.734 55.987 -18.735 1.00 0.00 H new ATOM 326 N GLU A 40 44.955 58.846 -22.805 1.00 0.00 N ATOM 327 CA GLU A 40 45.817 58.792 -24.006 1.00 0.00 C ATOM 328 C GLU A 40 46.969 59.819 -24.053 1.00 0.00 C ATOM 329 O GLU A 40 47.861 59.687 -24.893 1.00 0.00 O ATOM 330 CB GLU A 40 44.939 58.900 -25.268 1.00 0.00 C ATOM 331 CG GLU A 40 44.188 60.233 -25.406 1.00 0.00 C ATOM 332 CD GLU A 40 43.413 60.287 -26.737 1.00 0.00 C ATOM 333 OE1 GLU A 40 42.313 59.687 -26.836 1.00 0.00 O ATOM 334 OE2 GLU A 40 43.891 60.939 -27.699 1.00 0.00 O ATOM 0 H GLU A 40 44.756 59.795 -22.489 1.00 0.00 H new ATOM 0 HA GLU A 40 46.324 57.828 -23.959 1.00 0.00 H new ATOM 0 HB2 GLU A 40 45.568 58.759 -26.147 1.00 0.00 H new ATOM 0 HB3 GLU A 40 44.213 58.087 -25.262 1.00 0.00 H new ATOM 0 HG2 GLU A 40 43.497 60.355 -24.572 1.00 0.00 H new ATOM 0 HG3 GLU A 40 44.895 61.061 -25.357 1.00 0.00 H new ATOM 341 N SER A 41 46.991 60.828 -23.170 1.00 0.00 N ATOM 342 CA SER A 41 47.945 61.951 -23.249 1.00 0.00 C ATOM 343 C SER A 41 49.389 61.476 -23.032 1.00 0.00 C ATOM 344 O SER A 41 49.749 61.025 -21.940 1.00 0.00 O ATOM 345 CB SER A 41 47.569 63.049 -22.244 1.00 0.00 C ATOM 346 OG SER A 41 48.369 64.205 -22.451 1.00 0.00 O ATOM 0 H SER A 41 46.349 60.891 -22.380 1.00 0.00 H new ATOM 0 HA SER A 41 47.887 62.371 -24.253 1.00 0.00 H new ATOM 0 HB2 SER A 41 46.515 63.304 -22.352 1.00 0.00 H new ATOM 0 HB3 SER A 41 47.705 62.682 -21.227 1.00 0.00 H new ATOM 0 HG SER A 41 48.117 64.897 -21.805 1.00 0.00 H new ATOM 352 N GLU A 42 50.204 61.545 -24.096 1.00 0.00 N ATOM 353 CA GLU A 42 51.584 61.024 -24.164 1.00 0.00 C ATOM 354 C GLU A 42 51.730 59.531 -23.771 1.00 0.00 C ATOM 355 O GLU A 42 52.826 59.072 -23.443 1.00 0.00 O ATOM 356 CB GLU A 42 52.568 61.953 -23.420 1.00 0.00 C ATOM 357 CG GLU A 42 52.552 63.395 -23.948 1.00 0.00 C ATOM 358 CD GLU A 42 53.637 64.244 -23.257 1.00 0.00 C ATOM 359 OE1 GLU A 42 53.370 64.822 -22.173 1.00 0.00 O ATOM 360 OE2 GLU A 42 54.765 64.357 -23.798 1.00 0.00 O ATOM 0 H GLU A 42 49.911 61.982 -24.969 1.00 0.00 H new ATOM 0 HA GLU A 42 51.858 61.035 -25.219 1.00 0.00 H new ATOM 0 HB2 GLU A 42 52.321 61.958 -22.358 1.00 0.00 H new ATOM 0 HB3 GLU A 42 53.577 61.551 -23.510 1.00 0.00 H new ATOM 0 HG2 GLU A 42 52.716 63.394 -25.026 1.00 0.00 H new ATOM 0 HG3 GLU A 42 51.572 63.839 -23.775 1.00 0.00 H new ATOM 367 N ASP A 43 50.642 58.750 -23.818 1.00 0.00 N ATOM 368 CA ASP A 43 50.598 57.382 -23.270 1.00 0.00 C ATOM 369 C ASP A 43 51.325 56.332 -24.131 1.00 0.00 C ATOM 370 O ASP A 43 51.842 55.334 -23.623 1.00 0.00 O ATOM 371 CB ASP A 43 49.134 56.992 -23.026 1.00 0.00 C ATOM 372 CG ASP A 43 49.020 55.658 -22.270 1.00 0.00 C ATOM 373 OD1 ASP A 43 49.364 55.615 -21.063 1.00 0.00 O ATOM 374 OD2 ASP A 43 48.569 54.651 -22.869 1.00 0.00 O ATOM 0 H ASP A 43 49.762 59.048 -24.239 1.00 0.00 H new ATOM 0 HA ASP A 43 51.149 57.392 -22.330 1.00 0.00 H new ATOM 0 HB2 ASP A 43 48.638 57.777 -22.455 1.00 0.00 H new ATOM 0 HB3 ASP A 43 48.614 56.915 -23.981 1.00 0.00 H new ATOM 379 N GLU A 44 51.395 56.591 -25.436 1.00 0.00 N ATOM 380 CA GLU A 44 52.038 55.738 -26.454 1.00 0.00 C ATOM 381 C GLU A 44 52.870 56.524 -27.496 1.00 0.00 C ATOM 382 O GLU A 44 53.269 55.976 -28.527 1.00 0.00 O ATOM 383 CB GLU A 44 50.978 54.826 -27.107 1.00 0.00 C ATOM 384 CG GLU A 44 49.905 55.579 -27.907 1.00 0.00 C ATOM 385 CD GLU A 44 48.918 54.590 -28.558 1.00 0.00 C ATOM 386 OE1 GLU A 44 49.164 54.143 -29.706 1.00 0.00 O ATOM 387 OE2 GLU A 44 47.882 54.251 -27.934 1.00 0.00 O ATOM 0 H GLU A 44 50.990 57.436 -25.838 1.00 0.00 H new ATOM 0 HA GLU A 44 52.773 55.116 -25.943 1.00 0.00 H new ATOM 0 HB2 GLU A 44 51.480 54.121 -27.769 1.00 0.00 H new ATOM 0 HB3 GLU A 44 50.490 54.240 -26.328 1.00 0.00 H new ATOM 0 HG2 GLU A 44 49.365 56.260 -27.249 1.00 0.00 H new ATOM 0 HG3 GLU A 44 50.379 56.188 -28.677 1.00 0.00 H new ATOM 394 N ILE A 45 53.136 57.815 -27.247 1.00 0.00 N ATOM 395 CA ILE A 45 53.737 58.747 -28.220 1.00 0.00 C ATOM 396 C ILE A 45 55.277 58.688 -28.144 1.00 0.00 C ATOM 397 O ILE A 45 55.946 59.622 -27.696 1.00 0.00 O ATOM 398 CB ILE A 45 53.128 60.168 -28.078 1.00 0.00 C ATOM 399 CG1 ILE A 45 51.579 60.173 -27.984 1.00 0.00 C ATOM 400 CG2 ILE A 45 53.563 61.073 -29.248 1.00 0.00 C ATOM 401 CD1 ILE A 45 50.831 59.532 -29.163 1.00 0.00 C ATOM 0 H ILE A 45 52.936 58.251 -26.347 1.00 0.00 H new ATOM 0 HA ILE A 45 53.486 58.436 -29.234 1.00 0.00 H new ATOM 0 HB ILE A 45 53.514 60.556 -27.136 1.00 0.00 H new ATOM 0 HG12 ILE A 45 51.289 59.655 -27.070 1.00 0.00 H new ATOM 0 HG13 ILE A 45 51.244 61.206 -27.885 1.00 0.00 H new ATOM 0 HG21 ILE A 45 53.123 62.063 -29.125 1.00 0.00 H new ATOM 0 HG22 ILE A 45 54.650 61.157 -29.258 1.00 0.00 H new ATOM 0 HG23 ILE A 45 53.224 60.639 -30.189 1.00 0.00 H new ATOM 0 HD11 ILE A 45 49.757 59.593 -28.989 1.00 0.00 H new ATOM 0 HD12 ILE A 45 51.080 60.061 -30.083 1.00 0.00 H new ATOM 0 HD13 ILE A 45 51.125 58.486 -29.255 1.00 0.00 H new ATOM 413 N ASN A 46 55.838 57.545 -28.552 1.00 0.00 N ATOM 414 CA ASN A 46 57.280 57.281 -28.629 1.00 0.00 C ATOM 415 C ASN A 46 57.601 56.339 -29.810 1.00 0.00 C ATOM 416 O ASN A 46 57.021 55.256 -29.923 1.00 0.00 O ATOM 417 CB ASN A 46 57.743 56.703 -27.274 1.00 0.00 C ATOM 418 CG ASN A 46 59.245 56.472 -27.156 1.00 0.00 C ATOM 419 OD1 ASN A 46 60.008 56.539 -28.109 1.00 0.00 O ATOM 420 ND2 ASN A 46 59.722 56.188 -25.966 1.00 0.00 N ATOM 0 H ASN A 46 55.278 56.746 -28.850 1.00 0.00 H new ATOM 0 HA ASN A 46 57.825 58.205 -28.819 1.00 0.00 H new ATOM 0 HB2 ASN A 46 57.431 57.381 -26.480 1.00 0.00 H new ATOM 0 HB3 ASN A 46 57.230 55.756 -27.105 1.00 0.00 H new ATOM 0 HD21 ASN A 46 60.721 56.025 -25.843 1.00 0.00 H new ATOM 0 HD22 ASN A 46 59.093 56.130 -25.165 1.00 0.00 H new ATOM 427 N TYR A 47 58.543 56.748 -30.671 1.00 0.00 N ATOM 428 CA TYR A 47 59.031 55.966 -31.821 1.00 0.00 C ATOM 429 C TYR A 47 60.577 55.953 -31.942 1.00 0.00 C ATOM 430 O TYR A 47 61.123 55.577 -32.981 1.00 0.00 O ATOM 431 CB TYR A 47 58.319 56.488 -33.085 1.00 0.00 C ATOM 432 CG TYR A 47 58.354 55.558 -34.288 1.00 0.00 C ATOM 433 CD1 TYR A 47 57.650 54.338 -34.251 1.00 0.00 C ATOM 434 CD2 TYR A 47 59.067 55.922 -35.450 1.00 0.00 C ATOM 435 CE1 TYR A 47 57.668 53.475 -35.364 1.00 0.00 C ATOM 436 CE2 TYR A 47 59.085 55.062 -36.565 1.00 0.00 C ATOM 437 CZ TYR A 47 58.388 53.834 -36.526 1.00 0.00 C ATOM 438 OH TYR A 47 58.412 53.010 -37.611 1.00 0.00 O ATOM 0 H TYR A 47 59.000 57.656 -30.587 1.00 0.00 H new ATOM 0 HA TYR A 47 58.782 54.915 -31.677 1.00 0.00 H new ATOM 0 HB2 TYR A 47 57.278 56.692 -32.836 1.00 0.00 H new ATOM 0 HB3 TYR A 47 58.771 57.438 -33.369 1.00 0.00 H new ATOM 0 HD1 TYR A 47 57.095 54.064 -33.366 1.00 0.00 H new ATOM 0 HD2 TYR A 47 59.599 56.861 -35.484 1.00 0.00 H new ATOM 0 HE1 TYR A 47 57.131 52.538 -35.329 1.00 0.00 H new ATOM 0 HE2 TYR A 47 59.633 55.342 -37.452 1.00 0.00 H new ATOM 0 HH TYR A 47 58.954 53.417 -38.319 1.00 0.00 H new ATOM 448 N MET A 48 61.302 56.367 -30.888 1.00 0.00 N ATOM 449 CA MET A 48 62.766 56.579 -30.917 1.00 0.00 C ATOM 450 C MET A 48 63.599 55.483 -30.218 1.00 0.00 C ATOM 451 O MET A 48 64.825 55.596 -30.145 1.00 0.00 O ATOM 452 CB MET A 48 63.109 58.000 -30.430 1.00 0.00 C ATOM 453 CG MET A 48 62.808 58.249 -28.945 1.00 0.00 C ATOM 454 SD MET A 48 63.419 59.833 -28.297 1.00 0.00 S ATOM 455 CE MET A 48 62.346 61.000 -29.182 1.00 0.00 C ATOM 0 H MET A 48 60.885 56.567 -29.979 1.00 0.00 H new ATOM 0 HA MET A 48 63.067 56.488 -31.961 1.00 0.00 H new ATOM 0 HB2 MET A 48 64.167 58.188 -30.611 1.00 0.00 H new ATOM 0 HB3 MET A 48 62.551 58.721 -31.028 1.00 0.00 H new ATOM 0 HG2 MET A 48 61.729 58.203 -28.795 1.00 0.00 H new ATOM 0 HG3 MET A 48 63.246 57.440 -28.360 1.00 0.00 H new ATOM 0 HE1 MET A 48 62.550 62.014 -28.838 1.00 0.00 H new ATOM 0 HE2 MET A 48 62.541 60.933 -30.252 1.00 0.00 H new ATOM 0 HE3 MET A 48 61.302 60.754 -28.987 1.00 0.00 H new ATOM 465 N THR A 49 62.960 54.422 -29.708 1.00 0.00 N ATOM 466 CA THR A 49 63.627 53.291 -29.032 1.00 0.00 C ATOM 467 C THR A 49 62.955 51.941 -29.379 1.00 0.00 C ATOM 468 O THR A 49 62.195 51.378 -28.583 1.00 0.00 O ATOM 469 CB THR A 49 63.794 53.583 -27.525 1.00 0.00 C ATOM 470 OG1 THR A 49 64.498 52.531 -26.895 1.00 0.00 O ATOM 471 CG2 THR A 49 62.507 53.873 -26.743 1.00 0.00 C ATOM 0 H THR A 49 61.946 54.320 -29.752 1.00 0.00 H new ATOM 0 HA THR A 49 64.642 53.183 -29.416 1.00 0.00 H new ATOM 0 HB THR A 49 64.357 54.516 -27.499 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.598 52.730 -25.941 1.00 0.00 H new ATOM 0 HG21 THR A 49 62.751 54.063 -25.698 1.00 0.00 H new ATOM 0 HG22 THR A 49 62.014 54.749 -27.165 1.00 0.00 H new ATOM 0 HG23 THR A 49 61.839 53.014 -26.810 1.00 0.00 H new ATOM 479 N PRO A 50 63.170 51.419 -30.607 1.00 0.00 N ATOM 480 CA PRO A 50 62.628 50.128 -31.041 1.00 0.00 C ATOM 481 C PRO A 50 63.318 48.930 -30.341 1.00 0.00 C ATOM 482 O PRO A 50 64.465 49.054 -29.891 1.00 0.00 O ATOM 483 CB PRO A 50 62.832 50.096 -32.559 1.00 0.00 C ATOM 484 CG PRO A 50 64.090 50.940 -32.758 1.00 0.00 C ATOM 485 CD PRO A 50 63.953 52.019 -31.683 1.00 0.00 C ATOM 0 HA PRO A 50 61.576 50.032 -30.771 1.00 0.00 H new ATOM 0 HB2 PRO A 50 62.967 49.079 -32.926 1.00 0.00 H new ATOM 0 HB3 PRO A 50 61.977 50.515 -33.089 1.00 0.00 H new ATOM 0 HG2 PRO A 50 64.997 50.350 -32.625 1.00 0.00 H new ATOM 0 HG3 PRO A 50 64.133 51.370 -33.759 1.00 0.00 H new ATOM 0 HD2 PRO A 50 64.931 52.337 -31.323 1.00 0.00 H new ATOM 0 HD3 PRO A 50 63.456 52.904 -32.080 1.00 0.00 H new ATOM 493 N PRO A 51 62.654 47.757 -30.259 1.00 0.00 N ATOM 494 CA PRO A 51 63.217 46.547 -29.652 1.00 0.00 C ATOM 495 C PRO A 51 64.336 45.914 -30.504 1.00 0.00 C ATOM 496 O PRO A 51 64.358 46.043 -31.731 1.00 0.00 O ATOM 497 CB PRO A 51 62.028 45.597 -29.475 1.00 0.00 C ATOM 498 CG PRO A 51 61.096 45.988 -30.622 1.00 0.00 C ATOM 499 CD PRO A 51 61.297 47.499 -30.725 1.00 0.00 C ATOM 0 HA PRO A 51 63.702 46.776 -28.703 1.00 0.00 H new ATOM 0 HB2 PRO A 51 62.333 44.553 -29.542 1.00 0.00 H new ATOM 0 HB3 PRO A 51 61.549 45.727 -28.505 1.00 0.00 H new ATOM 0 HG2 PRO A 51 61.362 45.481 -31.549 1.00 0.00 H new ATOM 0 HG3 PRO A 51 60.059 45.732 -30.405 1.00 0.00 H new ATOM 0 HD2 PRO A 51 61.165 47.841 -31.752 1.00 0.00 H new ATOM 0 HD3 PRO A 51 60.567 48.032 -30.116 1.00 0.00 H new ATOM 507 N GLU A 52 65.251 45.190 -29.845 1.00 0.00 N ATOM 508 CA GLU A 52 66.439 44.568 -30.471 1.00 0.00 C ATOM 509 C GLU A 52 66.575 43.051 -30.192 1.00 0.00 C ATOM 510 O GLU A 52 67.601 42.448 -30.514 1.00 0.00 O ATOM 511 CB GLU A 52 67.710 45.338 -30.060 1.00 0.00 C ATOM 512 CG GLU A 52 67.693 46.806 -30.507 1.00 0.00 C ATOM 513 CD GLU A 52 69.058 47.472 -30.247 1.00 0.00 C ATOM 514 OE1 GLU A 52 69.284 47.997 -29.129 1.00 0.00 O ATOM 515 OE2 GLU A 52 69.916 47.485 -31.164 1.00 0.00 O ATOM 0 H GLU A 52 65.190 45.013 -28.842 1.00 0.00 H new ATOM 0 HA GLU A 52 66.303 44.642 -31.550 1.00 0.00 H new ATOM 0 HB2 GLU A 52 67.819 45.295 -28.976 1.00 0.00 H new ATOM 0 HB3 GLU A 52 68.582 44.844 -30.488 1.00 0.00 H new ATOM 0 HG2 GLU A 52 67.450 46.865 -31.568 1.00 0.00 H new ATOM 0 HG3 GLU A 52 66.912 47.345 -29.971 1.00 0.00 H new ATOM 522 N GLN A 53 65.545 42.425 -29.604 1.00 0.00 N ATOM 523 CA GLN A 53 65.493 40.995 -29.256 1.00 0.00 C ATOM 524 C GLN A 53 64.185 40.332 -29.728 1.00 0.00 C ATOM 525 O GLN A 53 63.130 40.967 -29.797 1.00 0.00 O ATOM 526 CB GLN A 53 65.649 40.817 -27.733 1.00 0.00 C ATOM 527 CG GLN A 53 67.092 40.965 -27.221 1.00 0.00 C ATOM 528 CD GLN A 53 67.988 39.789 -27.617 1.00 0.00 C ATOM 529 OE1 GLN A 53 68.880 39.890 -28.449 1.00 0.00 O ATOM 530 NE2 GLN A 53 67.790 38.623 -27.035 1.00 0.00 N ATOM 0 H GLN A 53 64.691 42.920 -29.347 1.00 0.00 H new ATOM 0 HA GLN A 53 66.318 40.503 -29.772 1.00 0.00 H new ATOM 0 HB2 GLN A 53 65.020 41.550 -27.227 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.277 39.831 -27.455 1.00 0.00 H new ATOM 0 HG2 GLN A 53 67.518 41.888 -27.613 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.079 41.056 -26.135 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.051 38.519 -26.339 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.375 37.825 -27.280 1.00 0.00 H new ATOM 539 N GLU A 54 64.255 39.028 -30.003 1.00 0.00 N ATOM 540 CA GLU A 54 63.138 38.145 -30.354 1.00 0.00 C ATOM 541 C GLU A 54 63.419 36.696 -29.902 1.00 0.00 C ATOM 542 O GLU A 54 64.558 36.341 -29.585 1.00 0.00 O ATOM 543 CB GLU A 54 62.836 38.214 -31.869 1.00 0.00 C ATOM 544 CG GLU A 54 63.932 37.685 -32.810 1.00 0.00 C ATOM 545 CD GLU A 54 65.166 38.610 -32.889 1.00 0.00 C ATOM 546 OE1 GLU A 54 65.070 39.709 -33.489 1.00 0.00 O ATOM 547 OE2 GLU A 54 66.254 38.230 -32.386 1.00 0.00 O ATOM 0 H GLU A 54 65.145 38.530 -29.986 1.00 0.00 H new ATOM 0 HA GLU A 54 62.251 38.491 -29.824 1.00 0.00 H new ATOM 0 HB2 GLU A 54 61.921 37.653 -32.061 1.00 0.00 H new ATOM 0 HB3 GLU A 54 62.634 39.253 -32.130 1.00 0.00 H new ATOM 0 HG2 GLU A 54 64.247 36.698 -32.471 1.00 0.00 H new ATOM 0 HG3 GLU A 54 63.515 37.561 -33.809 1.00 0.00 H new ATOM 554 N ALA A 55 62.374 35.859 -29.882 1.00 0.00 N ATOM 555 CA ALA A 55 62.434 34.423 -29.558 1.00 0.00 C ATOM 556 C ALA A 55 63.156 34.090 -28.226 1.00 0.00 C ATOM 557 O ALA A 55 63.929 33.130 -28.136 1.00 0.00 O ATOM 558 CB ALA A 55 62.970 33.664 -30.780 1.00 0.00 C ATOM 0 H ALA A 55 61.428 36.172 -30.099 1.00 0.00 H new ATOM 0 HA ALA A 55 61.422 34.076 -29.352 1.00 0.00 H new ATOM 0 HB1 ALA A 55 63.020 32.599 -30.554 1.00 0.00 H new ATOM 0 HB2 ALA A 55 62.305 33.824 -31.628 1.00 0.00 H new ATOM 0 HB3 ALA A 55 63.967 34.029 -31.027 1.00 0.00 H new ATOM 564 N GLN A 56 62.896 34.894 -27.186 1.00 0.00 N ATOM 565 CA GLN A 56 63.464 34.753 -25.835 1.00 0.00 C ATOM 566 C GLN A 56 62.386 35.101 -24.776 1.00 0.00 C ATOM 567 O GLN A 56 62.545 36.058 -24.013 1.00 0.00 O ATOM 568 CB GLN A 56 64.741 35.618 -25.744 1.00 0.00 C ATOM 569 CG GLN A 56 65.601 35.288 -24.509 1.00 0.00 C ATOM 570 CD GLN A 56 66.811 36.212 -24.389 1.00 0.00 C ATOM 571 OE1 GLN A 56 67.939 35.861 -24.708 1.00 0.00 O ATOM 572 NE2 GLN A 56 66.624 37.435 -23.931 1.00 0.00 N ATOM 0 H GLN A 56 62.262 35.689 -27.263 1.00 0.00 H new ATOM 0 HA GLN A 56 63.761 33.725 -25.630 1.00 0.00 H new ATOM 0 HB2 GLN A 56 65.337 35.473 -26.645 1.00 0.00 H new ATOM 0 HB3 GLN A 56 64.460 36.671 -25.714 1.00 0.00 H new ATOM 0 HG2 GLN A 56 64.991 35.372 -23.610 1.00 0.00 H new ATOM 0 HG3 GLN A 56 65.940 34.254 -24.569 1.00 0.00 H new ATOM 0 HE21 GLN A 56 65.689 37.741 -23.661 1.00 0.00 H new ATOM 0 HE22 GLN A 56 67.414 38.074 -23.847 1.00 0.00 H new ATOM 581 N PRO A 57 61.238 34.390 -24.767 1.00 0.00 N ATOM 582 CA PRO A 57 60.077 34.750 -23.950 1.00 0.00 C ATOM 583 C PRO A 57 60.305 34.475 -22.450 1.00 0.00 C ATOM 584 O PRO A 57 61.090 33.605 -22.067 1.00 0.00 O ATOM 585 CB PRO A 57 58.929 33.934 -24.545 1.00 0.00 C ATOM 586 CG PRO A 57 59.624 32.648 -24.989 1.00 0.00 C ATOM 587 CD PRO A 57 60.952 33.175 -25.528 1.00 0.00 C ATOM 0 HA PRO A 57 59.865 35.819 -23.979 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.148 33.739 -23.810 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.458 34.449 -25.382 1.00 0.00 H new ATOM 0 HG2 PRO A 57 59.766 31.954 -24.160 1.00 0.00 H new ATOM 0 HG3 PRO A 57 59.054 32.119 -25.753 1.00 0.00 H new ATOM 0 HD2 PRO A 57 61.745 32.438 -25.401 1.00 0.00 H new ATOM 0 HD3 PRO A 57 60.884 33.389 -26.595 1.00 0.00 H new ATOM 595 N GLY A 58 59.633 35.244 -21.585 1.00 0.00 N ATOM 596 CA GLY A 58 59.750 35.195 -20.114 1.00 0.00 C ATOM 597 C GLY A 58 61.037 35.820 -19.548 1.00 0.00 C ATOM 598 O GLY A 58 60.980 36.525 -18.540 1.00 0.00 O ATOM 0 H GLY A 58 58.964 35.948 -21.899 1.00 0.00 H new ATOM 0 HA2 GLY A 58 58.892 35.707 -19.678 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.697 34.154 -19.794 1.00 0.00 H new ATOM 602 N ALA A 59 62.180 35.614 -20.216 1.00 0.00 N ATOM 603 CA ALA A 59 63.503 36.177 -19.893 1.00 0.00 C ATOM 604 C ALA A 59 64.056 35.839 -18.487 1.00 0.00 C ATOM 605 O ALA A 59 64.879 36.570 -17.928 1.00 0.00 O ATOM 606 CB ALA A 59 63.494 37.673 -20.199 1.00 0.00 C ATOM 0 H ALA A 59 62.211 35.017 -21.043 1.00 0.00 H new ATOM 0 HA ALA A 59 64.225 35.676 -20.538 1.00 0.00 H new ATOM 0 HB1 ALA A 59 64.469 38.099 -19.963 1.00 0.00 H new ATOM 0 HB2 ALA A 59 63.277 37.827 -21.256 1.00 0.00 H new ATOM 0 HB3 ALA A 59 62.729 38.163 -19.597 1.00 0.00 H new ATOM 612 N LEU A 60 63.616 34.715 -17.923 1.00 0.00 N ATOM 613 CA LEU A 60 64.157 34.130 -16.689 1.00 0.00 C ATOM 614 C LEU A 60 65.542 33.490 -16.922 1.00 0.00 C ATOM 615 O LEU A 60 65.860 33.026 -18.021 1.00 0.00 O ATOM 616 CB LEU A 60 63.164 33.102 -16.100 1.00 0.00 C ATOM 617 CG LEU A 60 62.098 33.692 -15.156 1.00 0.00 C ATOM 618 CD1 LEU A 60 61.148 34.675 -15.835 1.00 0.00 C ATOM 619 CD2 LEU A 60 61.255 32.557 -14.571 1.00 0.00 C ATOM 0 H LEU A 60 62.852 34.168 -18.320 1.00 0.00 H new ATOM 0 HA LEU A 60 64.291 34.936 -15.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.659 32.595 -16.922 1.00 0.00 H new ATOM 0 HB3 LEU A 60 63.729 32.344 -15.557 1.00 0.00 H new ATOM 0 HG LEU A 60 62.646 34.239 -14.388 1.00 0.00 H new ATOM 0 HD11 LEU A 60 60.427 35.047 -15.107 1.00 0.00 H new ATOM 0 HD12 LEU A 60 61.718 35.511 -16.240 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.619 34.170 -16.644 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.500 32.972 -13.903 1.00 0.00 H new ATOM 0 HD22 LEU A 60 60.765 32.014 -15.379 1.00 0.00 H new ATOM 0 HD23 LEU A 60 61.898 31.876 -14.014 1.00 0.00 H new ATOM 631 N ALA A 61 66.344 33.436 -15.856 1.00 0.00 N ATOM 632 CA ALA A 61 67.642 32.763 -15.792 1.00 0.00 C ATOM 633 C ALA A 61 67.932 32.163 -14.402 1.00 0.00 C ATOM 634 O ALA A 61 67.452 32.669 -13.384 1.00 0.00 O ATOM 635 CB ALA A 61 68.736 33.762 -16.185 1.00 0.00 C ATOM 0 H ALA A 61 66.094 33.881 -14.973 1.00 0.00 H new ATOM 0 HA ALA A 61 67.625 31.926 -16.489 1.00 0.00 H new ATOM 0 HB1 ALA A 61 69.709 33.272 -16.141 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.555 34.120 -17.199 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.723 34.606 -15.495 1.00 0.00 H new ATOM 641 N ALA A 62 68.751 31.109 -14.362 1.00 0.00 N ATOM 642 CA ALA A 62 69.234 30.465 -13.139 1.00 0.00 C ATOM 643 C ALA A 62 70.633 30.967 -12.723 1.00 0.00 C ATOM 644 O ALA A 62 71.465 31.320 -13.563 1.00 0.00 O ATOM 645 CB ALA A 62 69.185 28.941 -13.319 1.00 0.00 C ATOM 0 H ALA A 62 69.108 30.666 -15.209 1.00 0.00 H new ATOM 0 HA ALA A 62 68.576 30.740 -12.314 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.544 28.456 -12.411 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.159 28.631 -13.515 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.818 28.653 -14.159 1.00 0.00 H new ATOM 651 N LEU A 63 70.888 30.976 -11.409 1.00 0.00 N ATOM 652 CA LEU A 63 72.140 31.424 -10.781 1.00 0.00 C ATOM 653 C LEU A 63 72.701 30.368 -9.810 1.00 0.00 C ATOM 654 O LEU A 63 71.955 29.550 -9.263 1.00 0.00 O ATOM 655 CB LEU A 63 71.905 32.748 -10.024 1.00 0.00 C ATOM 656 CG LEU A 63 71.410 33.938 -10.867 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.200 35.146 -9.955 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.409 34.335 -11.950 1.00 0.00 C ATOM 0 H LEU A 63 70.201 30.659 -10.725 1.00 0.00 H new ATOM 0 HA LEU A 63 72.872 31.575 -11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.179 32.565 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.839 33.036 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 63 70.482 33.630 -11.348 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.849 35.992 -10.546 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.458 34.903 -9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.142 35.406 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.015 35.178 -12.517 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.354 34.619 -11.487 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.573 33.491 -12.621 1.00 0.00 H new ATOM 670 N HIS A 64 74.008 30.429 -9.544 1.00 0.00 N ATOM 671 CA HIS A 64 74.657 29.691 -8.453 1.00 0.00 C ATOM 672 C HIS A 64 74.392 30.380 -7.106 1.00 0.00 C ATOM 673 O HIS A 64 74.439 31.608 -7.020 1.00 0.00 O ATOM 674 CB HIS A 64 76.161 29.595 -8.731 1.00 0.00 C ATOM 675 CG HIS A 64 76.528 28.677 -9.868 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.541 27.281 -9.800 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.981 29.071 -11.095 1.00 0.00 C ATOM 678 CE1 HIS A 64 77.014 26.864 -10.986 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.291 27.915 -11.778 1.00 0.00 N ATOM 0 H HIS A 64 74.656 31.000 -10.087 1.00 0.00 H new ATOM 0 HA HIS A 64 74.241 28.685 -8.399 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.542 30.593 -8.949 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.664 29.252 -7.827 1.00 0.00 H new ATOM 0 HD1 HIS A 64 76.252 26.700 -9.013 1.00 0.00 H new ATOM 0 HD2 HIS A 64 77.077 30.084 -11.457 1.00 0.00 H new ATOM 0 HE1 HIS A 64 77.152 25.830 -11.265 1.00 0.00 H new ATOM 687 N ALA A 65 74.143 29.603 -6.049 1.00 0.00 N ATOM 688 CA ALA A 65 73.761 30.122 -4.727 1.00 0.00 C ATOM 689 C ALA A 65 74.920 30.205 -3.708 1.00 0.00 C ATOM 690 O ALA A 65 74.767 30.819 -2.651 1.00 0.00 O ATOM 691 CB ALA A 65 72.608 29.254 -4.205 1.00 0.00 C ATOM 0 H ALA A 65 74.201 28.585 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 65 73.451 31.160 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.299 29.612 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.766 29.314 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 65 72.939 28.219 -4.126 1.00 0.00 H new ATOM 697 N GLU A 66 76.072 29.586 -3.999 1.00 0.00 N ATOM 698 CA GLU A 66 77.209 29.448 -3.073 1.00 0.00 C ATOM 699 C GLU A 66 78.576 29.404 -3.790 1.00 0.00 C ATOM 700 O GLU A 66 78.651 29.257 -5.014 1.00 0.00 O ATOM 701 CB GLU A 66 77.002 28.202 -2.186 1.00 0.00 C ATOM 702 CG GLU A 66 76.990 26.871 -2.953 1.00 0.00 C ATOM 703 CD GLU A 66 76.772 25.689 -1.989 1.00 0.00 C ATOM 704 OE1 GLU A 66 77.768 25.150 -1.445 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.604 25.281 -1.769 1.00 0.00 O ATOM 0 H GLU A 66 76.245 29.156 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 66 77.234 30.341 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.794 28.169 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.059 28.306 -1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.200 26.885 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 66 77.933 26.744 -3.485 1.00 0.00 H new ATOM 712 N GLY A 67 79.665 29.526 -3.020 1.00 0.00 N ATOM 713 CA GLY A 67 81.043 29.501 -3.530 1.00 0.00 C ATOM 714 C GLY A 67 81.445 30.762 -4.317 1.00 0.00 C ATOM 715 O GLY A 67 80.753 31.784 -4.253 1.00 0.00 O ATOM 0 H GLY A 67 79.613 29.647 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.727 29.376 -2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.165 28.630 -4.174 1.00 0.00 H new ATOM 719 N PRO A 68 82.552 30.716 -5.089 1.00 0.00 N ATOM 720 CA PRO A 68 83.063 31.874 -5.834 1.00 0.00 C ATOM 721 C PRO A 68 82.144 32.322 -6.989 1.00 0.00 C ATOM 722 O PRO A 68 82.265 33.451 -7.466 1.00 0.00 O ATOM 723 CB PRO A 68 84.447 31.444 -6.337 1.00 0.00 C ATOM 724 CG PRO A 68 84.330 29.926 -6.458 1.00 0.00 C ATOM 725 CD PRO A 68 83.427 29.566 -5.280 1.00 0.00 C ATOM 0 HA PRO A 68 83.110 32.753 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.686 31.905 -7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.234 31.731 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.892 29.628 -7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.302 29.438 -6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.850 28.665 -5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.014 29.367 -4.383 1.00 0.00 H new ATOM 733 N LEU A 69 81.207 31.464 -7.420 1.00 0.00 N ATOM 734 CA LEU A 69 80.201 31.768 -8.445 1.00 0.00 C ATOM 735 C LEU A 69 78.872 32.299 -7.876 1.00 0.00 C ATOM 736 O LEU A 69 77.939 32.494 -8.648 1.00 0.00 O ATOM 737 CB LEU A 69 79.973 30.535 -9.343 1.00 0.00 C ATOM 738 CG LEU A 69 81.195 30.056 -10.148 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.833 28.757 -10.863 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.669 31.070 -11.190 1.00 0.00 C ATOM 0 H LEU A 69 81.127 30.515 -7.055 1.00 0.00 H new ATOM 0 HA LEU A 69 80.603 32.585 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.629 29.712 -8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.168 30.762 -10.042 1.00 0.00 H new ATOM 0 HG LEU A 69 82.011 29.917 -9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.691 28.407 -11.437 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.556 28.002 -10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.994 28.934 -11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.533 30.669 -11.721 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.865 31.265 -11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.948 31.999 -10.693 1.00 0.00 H new ATOM 752 N ALA A 70 78.730 32.534 -6.568 1.00 0.00 N ATOM 753 CA ALA A 70 77.466 32.984 -5.985 1.00 0.00 C ATOM 754 C ALA A 70 76.938 34.268 -6.663 1.00 0.00 C ATOM 755 O ALA A 70 77.619 35.297 -6.723 1.00 0.00 O ATOM 756 CB ALA A 70 77.637 33.166 -4.473 1.00 0.00 C ATOM 0 H ALA A 70 79.483 32.418 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 70 76.711 32.219 -6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.695 33.501 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.927 32.217 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.410 33.910 -4.281 1.00 0.00 H new ATOM 762 N GLY A 71 75.713 34.184 -7.188 1.00 0.00 N ATOM 763 CA GLY A 71 75.050 35.233 -7.975 1.00 0.00 C ATOM 764 C GLY A 71 75.417 35.268 -9.470 1.00 0.00 C ATOM 765 O GLY A 71 74.960 36.169 -10.176 1.00 0.00 O ATOM 0 H GLY A 71 75.132 33.353 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.971 35.103 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.292 36.201 -7.536 1.00 0.00 H new ATOM 769 N LEU A 72 76.219 34.315 -9.964 1.00 0.00 N ATOM 770 CA LEU A 72 76.662 34.189 -11.366 1.00 0.00 C ATOM 771 C LEU A 72 75.888 33.058 -12.100 1.00 0.00 C ATOM 772 O LEU A 72 75.282 32.211 -11.439 1.00 0.00 O ATOM 773 CB LEU A 72 78.204 34.032 -11.401 1.00 0.00 C ATOM 774 CG LEU A 72 79.015 35.088 -10.618 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.501 34.942 -10.955 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.631 36.535 -10.942 1.00 0.00 C ATOM 0 H LEU A 72 76.596 33.575 -9.372 1.00 0.00 H new ATOM 0 HA LEU A 72 76.422 35.096 -11.921 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.457 33.047 -11.010 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.527 34.054 -12.442 1.00 0.00 H new ATOM 0 HG LEU A 72 78.796 34.902 -9.566 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.074 35.687 -10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.841 33.944 -10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.648 35.091 -12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.245 37.215 -10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.794 36.726 -12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.580 36.695 -10.702 1.00 0.00 H new ATOM 788 N PRO A 73 75.842 33.043 -13.450 1.00 0.00 N ATOM 789 CA PRO A 73 74.880 32.256 -14.233 1.00 0.00 C ATOM 790 C PRO A 73 75.267 30.776 -14.378 1.00 0.00 C ATOM 791 O PRO A 73 76.443 30.430 -14.311 1.00 0.00 O ATOM 792 CB PRO A 73 74.830 32.953 -15.593 1.00 0.00 C ATOM 793 CG PRO A 73 76.248 33.489 -15.761 1.00 0.00 C ATOM 794 CD PRO A 73 76.662 33.849 -14.343 1.00 0.00 C ATOM 0 HA PRO A 73 73.912 32.224 -13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.564 32.260 -16.391 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.092 33.755 -15.608 1.00 0.00 H new ATOM 0 HG2 PRO A 73 76.911 32.741 -16.195 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.273 34.357 -16.419 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.721 33.645 -14.186 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.511 34.912 -14.154 1.00 0.00 H new ATOM 802 N VAL A 74 74.294 29.893 -14.633 1.00 0.00 N ATOM 803 CA VAL A 74 74.543 28.438 -14.731 1.00 0.00 C ATOM 804 C VAL A 74 74.754 27.949 -16.176 1.00 0.00 C ATOM 805 O VAL A 74 75.608 27.087 -16.389 1.00 0.00 O ATOM 806 CB VAL A 74 73.454 27.632 -13.991 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.785 26.135 -13.933 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.284 28.109 -12.540 1.00 0.00 C ATOM 0 H VAL A 74 73.319 30.157 -14.777 1.00 0.00 H new ATOM 0 HA VAL A 74 75.491 28.253 -14.226 1.00 0.00 H new ATOM 0 HB VAL A 74 72.538 27.794 -14.559 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.992 25.607 -13.404 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.869 25.742 -14.946 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.729 25.991 -13.408 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.509 27.518 -12.051 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.225 27.987 -12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.997 29.160 -12.534 1.00 0.00 H new ATOM 818 N THR A 75 74.051 28.502 -17.177 1.00 0.00 N ATOM 819 CA THR A 75 74.141 28.099 -18.606 1.00 0.00 C ATOM 820 C THR A 75 74.503 29.239 -19.564 1.00 0.00 C ATOM 821 O THR A 75 74.582 30.399 -19.162 1.00 0.00 O ATOM 822 CB THR A 75 72.845 27.425 -19.085 1.00 0.00 C ATOM 823 OG1 THR A 75 71.825 28.393 -19.219 1.00 0.00 O ATOM 824 CG2 THR A 75 72.420 26.307 -18.140 1.00 0.00 C ATOM 0 H THR A 75 73.386 29.260 -17.021 1.00 0.00 H new ATOM 0 HA THR A 75 74.966 27.387 -18.636 1.00 0.00 H new ATOM 0 HB THR A 75 73.029 26.971 -20.059 1.00 0.00 H new ATOM 0 HG1 THR A 75 71.001 27.960 -19.526 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.501 25.851 -18.507 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.205 25.553 -18.092 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.250 26.717 -17.145 1.00 0.00 H new ATOM 832 N ARG A 76 74.720 28.933 -20.858 1.00 0.00 N ATOM 833 CA ARG A 76 75.011 29.954 -21.893 1.00 0.00 C ATOM 834 C ARG A 76 73.818 30.895 -22.080 1.00 0.00 C ATOM 835 O ARG A 76 73.994 32.110 -22.151 1.00 0.00 O ATOM 836 CB ARG A 76 75.398 29.282 -23.230 1.00 0.00 C ATOM 837 CG ARG A 76 76.747 28.554 -23.144 1.00 0.00 C ATOM 838 CD ARG A 76 77.158 27.877 -24.456 1.00 0.00 C ATOM 839 NE ARG A 76 78.441 27.160 -24.292 1.00 0.00 N ATOM 840 CZ ARG A 76 79.059 26.421 -25.197 1.00 0.00 C ATOM 841 NH1 ARG A 76 78.569 26.230 -26.391 1.00 0.00 N ATOM 842 NH2 ARG A 76 80.190 25.838 -24.912 1.00 0.00 N ATOM 0 H ARG A 76 74.700 27.979 -21.217 1.00 0.00 H new ATOM 0 HA ARG A 76 75.859 30.549 -21.555 1.00 0.00 H new ATOM 0 HB2 ARG A 76 74.622 28.572 -23.516 1.00 0.00 H new ATOM 0 HB3 ARG A 76 75.444 30.037 -24.014 1.00 0.00 H new ATOM 0 HG2 ARG A 76 77.519 29.267 -22.855 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.696 27.802 -22.356 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.382 27.178 -24.770 1.00 0.00 H new ATOM 0 HD3 ARG A 76 77.251 28.625 -25.244 1.00 0.00 H new ATOM 0 HE ARG A 76 78.898 27.245 -23.384 1.00 0.00 H new ATOM 0 HH11 ARG A 76 77.680 26.658 -26.652 1.00 0.00 H new ATOM 0 HH12 ARG A 76 79.074 25.653 -27.063 1.00 0.00 H new ATOM 0 HH21 ARG A 76 80.603 25.951 -23.986 1.00 0.00 H new ATOM 0 HH22 ARG A 76 80.662 25.269 -25.615 1.00 0.00 H new ATOM 856 N SER A 77 72.607 30.336 -22.042 1.00 0.00 N ATOM 857 CA SER A 77 71.349 31.093 -22.018 1.00 0.00 C ATOM 858 C SER A 77 71.257 31.979 -20.772 1.00 0.00 C ATOM 859 O SER A 77 70.965 33.167 -20.902 1.00 0.00 O ATOM 860 CB SER A 77 70.145 30.141 -22.071 1.00 0.00 C ATOM 861 OG SER A 77 70.222 29.305 -23.218 1.00 0.00 O ATOM 0 H SER A 77 72.468 29.326 -22.027 1.00 0.00 H new ATOM 0 HA SER A 77 71.334 31.736 -22.898 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.117 29.529 -21.169 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.220 30.716 -22.094 1.00 0.00 H new ATOM 0 HG SER A 77 69.449 28.703 -23.237 1.00 0.00 H new ATOM 867 N ASP A 78 71.595 31.460 -19.583 1.00 0.00 N ATOM 868 CA ASP A 78 71.615 32.278 -18.362 1.00 0.00 C ATOM 869 C ASP A 78 72.627 33.424 -18.480 1.00 0.00 C ATOM 870 O ASP A 78 72.289 34.571 -18.200 1.00 0.00 O ATOM 871 CB ASP A 78 71.959 31.446 -17.122 1.00 0.00 C ATOM 872 CG ASP A 78 70.957 30.339 -16.774 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.731 30.518 -16.980 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.416 29.316 -16.224 1.00 0.00 O ATOM 0 H ASP A 78 71.857 30.484 -19.441 1.00 0.00 H new ATOM 0 HA ASP A 78 70.610 32.684 -18.248 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.939 30.992 -17.270 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.044 32.117 -16.267 1.00 0.00 H new ATOM 879 N ALA A 79 73.852 33.150 -18.939 1.00 0.00 N ATOM 880 CA ALA A 79 74.897 34.161 -19.082 1.00 0.00 C ATOM 881 C ALA A 79 74.510 35.264 -20.084 1.00 0.00 C ATOM 882 O ALA A 79 74.730 36.441 -19.796 1.00 0.00 O ATOM 883 CB ALA A 79 76.223 33.455 -19.418 1.00 0.00 C ATOM 0 H ALA A 79 74.145 32.215 -19.222 1.00 0.00 H new ATOM 0 HA ALA A 79 75.026 34.692 -18.139 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.013 34.198 -19.528 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.482 32.766 -18.614 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.114 32.901 -20.350 1.00 0.00 H new ATOM 889 N ARG A 80 73.845 34.930 -21.201 1.00 0.00 N ATOM 890 CA ARG A 80 73.320 35.927 -22.154 1.00 0.00 C ATOM 891 C ARG A 80 72.179 36.766 -21.562 1.00 0.00 C ATOM 892 O ARG A 80 72.190 37.986 -21.721 1.00 0.00 O ATOM 893 CB ARG A 80 72.927 35.219 -23.465 1.00 0.00 C ATOM 894 CG ARG A 80 72.651 36.228 -24.593 1.00 0.00 C ATOM 895 CD ARG A 80 72.416 35.524 -25.934 1.00 0.00 C ATOM 896 NE ARG A 80 72.199 36.506 -27.019 1.00 0.00 N ATOM 897 CZ ARG A 80 72.146 36.257 -28.317 1.00 0.00 C ATOM 898 NH1 ARG A 80 72.267 35.053 -28.798 1.00 0.00 N ATOM 899 NH2 ARG A 80 71.967 37.227 -29.168 1.00 0.00 N ATOM 0 H ARG A 80 73.655 33.965 -21.471 1.00 0.00 H new ATOM 0 HA ARG A 80 74.107 36.648 -22.375 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.727 34.543 -23.768 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.040 34.608 -23.297 1.00 0.00 H new ATOM 0 HG2 ARG A 80 71.778 36.829 -24.339 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.494 36.913 -24.684 1.00 0.00 H new ATOM 0 HD2 ARG A 80 73.274 34.896 -26.174 1.00 0.00 H new ATOM 0 HD3 ARG A 80 71.551 34.866 -25.856 1.00 0.00 H new ATOM 0 HE ARG A 80 72.077 37.478 -26.736 1.00 0.00 H new ATOM 0 HH11 ARG A 80 72.408 34.264 -28.167 1.00 0.00 H new ATOM 0 HH12 ARG A 80 72.221 34.899 -29.805 1.00 0.00 H new ATOM 0 HH21 ARG A 80 71.867 38.186 -28.835 1.00 0.00 H new ATOM 0 HH22 ARG A 80 71.927 37.028 -30.168 1.00 0.00 H new ATOM 913 N VAL A 81 71.250 36.154 -20.818 1.00 0.00 N ATOM 914 CA VAL A 81 70.184 36.878 -20.087 1.00 0.00 C ATOM 915 C VAL A 81 70.779 37.828 -19.055 1.00 0.00 C ATOM 916 O VAL A 81 70.423 39.003 -19.037 1.00 0.00 O ATOM 917 CB VAL A 81 69.205 35.911 -19.392 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.224 36.628 -18.450 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.352 35.165 -20.415 1.00 0.00 C ATOM 0 H VAL A 81 71.210 35.142 -20.701 1.00 0.00 H new ATOM 0 HA VAL A 81 69.629 37.453 -20.828 1.00 0.00 H new ATOM 0 HB VAL A 81 69.837 35.231 -18.821 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.560 35.896 -17.990 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.782 37.151 -17.673 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.633 37.347 -19.018 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.671 34.490 -19.897 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.777 35.882 -21.001 1.00 0.00 H new ATOM 0 HG23 VAL A 81 68.999 34.590 -21.078 1.00 0.00 H new ATOM 929 N LEU A 82 71.699 37.353 -18.213 1.00 0.00 N ATOM 930 CA LEU A 82 72.340 38.179 -17.186 1.00 0.00 C ATOM 931 C LEU A 82 73.153 39.335 -17.786 1.00 0.00 C ATOM 932 O LEU A 82 73.029 40.454 -17.291 1.00 0.00 O ATOM 933 CB LEU A 82 73.189 37.303 -16.237 1.00 0.00 C ATOM 934 CG LEU A 82 72.456 36.715 -15.013 1.00 0.00 C ATOM 935 CD1 LEU A 82 71.791 37.797 -14.159 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.383 35.683 -15.353 1.00 0.00 C ATOM 0 H LEU A 82 72.021 36.385 -18.223 1.00 0.00 H new ATOM 0 HA LEU A 82 71.549 38.644 -16.597 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.607 36.478 -16.814 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.028 37.900 -15.880 1.00 0.00 H new ATOM 0 HG LEU A 82 73.254 36.218 -14.461 1.00 0.00 H new ATOM 0 HD11 LEU A 82 71.289 37.333 -13.310 1.00 0.00 H new ATOM 0 HD12 LEU A 82 72.549 38.491 -13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 82 71.061 38.338 -14.761 1.00 0.00 H new ATOM 0 HD21 LEU A 82 70.920 35.323 -14.434 1.00 0.00 H new ATOM 0 HD22 LEU A 82 70.624 36.142 -15.986 1.00 0.00 H new ATOM 0 HD23 LEU A 82 71.838 34.846 -15.882 1.00 0.00 H new ATOM 948 N ILE A 83 73.892 39.114 -18.883 1.00 0.00 N ATOM 949 CA ILE A 83 74.544 40.199 -19.644 1.00 0.00 C ATOM 950 C ILE A 83 73.505 41.236 -20.089 1.00 0.00 C ATOM 951 O ILE A 83 73.688 42.424 -19.828 1.00 0.00 O ATOM 952 CB ILE A 83 75.353 39.635 -20.841 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.658 38.998 -20.305 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.676 40.710 -21.903 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.379 38.097 -21.318 1.00 0.00 C ATOM 0 H ILE A 83 74.056 38.184 -19.269 1.00 0.00 H new ATOM 0 HA ILE A 83 75.257 40.703 -18.991 1.00 0.00 H new ATOM 0 HB ILE A 83 74.739 38.885 -21.340 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.336 39.793 -19.995 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.425 38.412 -19.416 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.243 40.258 -22.717 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.747 41.125 -22.295 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.266 41.506 -21.448 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.283 37.690 -20.864 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.720 37.279 -21.611 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.646 38.681 -22.199 1.00 0.00 H new ATOM 967 N PHE A 84 72.406 40.806 -20.717 1.00 0.00 N ATOM 968 CA PHE A 84 71.373 41.715 -21.218 1.00 0.00 C ATOM 969 C PHE A 84 70.660 42.493 -20.103 1.00 0.00 C ATOM 970 O PHE A 84 70.502 43.704 -20.218 1.00 0.00 O ATOM 971 CB PHE A 84 70.362 40.923 -22.060 1.00 0.00 C ATOM 972 CG PHE A 84 69.476 41.786 -22.939 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.056 42.576 -23.949 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.076 41.774 -22.788 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.251 43.294 -24.843 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.268 42.539 -23.653 1.00 0.00 C ATOM 977 CZ PHE A 84 67.854 43.293 -24.686 1.00 0.00 C ATOM 0 H PHE A 84 72.209 39.821 -20.891 1.00 0.00 H new ATOM 0 HA PHE A 84 71.869 42.463 -21.836 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.904 40.218 -22.690 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.731 40.335 -21.393 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.131 42.629 -24.036 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.622 41.179 -22.010 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.703 43.848 -25.652 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.196 42.546 -23.522 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.233 43.869 -25.356 1.00 0.00 H new ATOM 987 N ASN A 85 70.264 41.828 -19.014 1.00 0.00 N ATOM 988 CA ASN A 85 69.529 42.440 -17.905 1.00 0.00 C ATOM 989 C ASN A 85 70.401 43.442 -17.118 1.00 0.00 C ATOM 990 O ASN A 85 69.981 44.580 -16.871 1.00 0.00 O ATOM 991 CB ASN A 85 68.987 41.310 -17.008 1.00 0.00 C ATOM 992 CG ASN A 85 68.036 41.794 -15.921 1.00 0.00 C ATOM 993 OD1 ASN A 85 67.457 42.870 -15.977 1.00 0.00 O ATOM 994 ND2 ASN A 85 67.815 40.995 -14.899 1.00 0.00 N ATOM 0 H ASN A 85 70.448 40.834 -18.877 1.00 0.00 H new ATOM 0 HA ASN A 85 68.696 43.025 -18.295 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.471 40.579 -17.631 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.826 40.795 -16.541 1.00 0.00 H new ATOM 0 HD21 ASN A 85 67.166 41.275 -14.164 1.00 0.00 H new ATOM 0 HD22 ASN A 85 68.292 40.095 -14.842 1.00 0.00 H new ATOM 1001 N GLU A 86 71.639 43.049 -16.780 1.00 0.00 N ATOM 1002 CA GLU A 86 72.606 43.967 -16.171 1.00 0.00 C ATOM 1003 C GLU A 86 72.888 45.143 -17.102 1.00 0.00 C ATOM 1004 O GLU A 86 72.729 46.281 -16.672 1.00 0.00 O ATOM 1005 CB GLU A 86 73.928 43.274 -15.806 1.00 0.00 C ATOM 1006 CG GLU A 86 73.844 42.452 -14.515 1.00 0.00 C ATOM 1007 CD GLU A 86 73.611 43.350 -13.280 1.00 0.00 C ATOM 1008 OE1 GLU A 86 74.473 44.213 -12.976 1.00 0.00 O ATOM 1009 OE2 GLU A 86 72.567 43.196 -12.604 1.00 0.00 O ATOM 0 H GLU A 86 71.991 42.102 -16.919 1.00 0.00 H new ATOM 0 HA GLU A 86 72.154 44.327 -15.247 1.00 0.00 H new ATOM 0 HB2 GLU A 86 74.226 42.621 -16.626 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.708 44.028 -15.699 1.00 0.00 H new ATOM 0 HG2 GLU A 86 73.033 41.728 -14.597 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.766 41.885 -14.384 1.00 0.00 H new ATOM 1016 N TRP A 87 73.238 44.909 -18.374 1.00 0.00 N ATOM 1017 CA TRP A 87 73.467 46.005 -19.309 1.00 0.00 C ATOM 1018 C TRP A 87 72.252 46.929 -19.415 1.00 0.00 C ATOM 1019 O TRP A 87 72.431 48.130 -19.276 1.00 0.00 O ATOM 1020 CB TRP A 87 73.852 45.460 -20.676 1.00 0.00 C ATOM 1021 CG TRP A 87 73.894 46.478 -21.769 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.853 47.407 -21.977 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.954 46.625 -22.870 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.568 48.111 -23.129 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.433 47.642 -23.746 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.788 45.940 -23.260 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.832 47.921 -24.980 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.174 46.226 -24.488 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.686 47.205 -25.355 1.00 0.00 C ATOM 0 H TRP A 87 73.366 43.978 -18.771 1.00 0.00 H new ATOM 0 HA TRP A 87 74.292 46.603 -18.922 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.832 44.988 -20.600 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.143 44.680 -20.953 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.710 47.573 -21.340 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.131 48.885 -23.480 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.364 45.190 -22.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.245 48.676 -25.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.287 45.681 -24.774 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.203 47.404 -26.300 1.00 0.00 H new ATOM 1040 N GLU A 88 71.029 46.422 -19.572 1.00 0.00 N ATOM 1041 CA GLU A 88 69.827 47.255 -19.654 1.00 0.00 C ATOM 1042 C GLU A 88 69.623 48.142 -18.412 1.00 0.00 C ATOM 1043 O GLU A 88 69.370 49.338 -18.565 1.00 0.00 O ATOM 1044 CB GLU A 88 68.590 46.376 -19.898 1.00 0.00 C ATOM 1045 CG GLU A 88 68.400 45.966 -21.364 1.00 0.00 C ATOM 1046 CD GLU A 88 67.891 47.146 -22.216 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.716 47.945 -22.724 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.653 47.294 -22.372 1.00 0.00 O ATOM 0 H GLU A 88 70.843 45.422 -19.646 1.00 0.00 H new ATOM 0 HA GLU A 88 69.967 47.931 -20.497 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.668 45.477 -19.287 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.703 46.913 -19.563 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.346 45.605 -21.768 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.692 45.140 -21.424 1.00 0.00 H new ATOM 1055 N GLU A 89 69.772 47.623 -17.187 1.00 0.00 N ATOM 1056 CA GLU A 89 69.632 48.419 -15.968 1.00 0.00 C ATOM 1057 C GLU A 89 70.782 49.437 -15.783 1.00 0.00 C ATOM 1058 O GLU A 89 70.560 50.644 -15.595 1.00 0.00 O ATOM 1059 CB GLU A 89 69.539 47.434 -14.794 1.00 0.00 C ATOM 1060 CG GLU A 89 69.086 48.169 -13.542 1.00 0.00 C ATOM 1061 CD GLU A 89 68.910 47.209 -12.351 1.00 0.00 C ATOM 1062 OE1 GLU A 89 67.806 46.633 -12.187 1.00 0.00 O ATOM 1063 OE2 GLU A 89 69.866 47.039 -11.555 1.00 0.00 O ATOM 0 H GLU A 89 69.992 46.642 -17.016 1.00 0.00 H new ATOM 0 HA GLU A 89 68.731 49.030 -16.027 1.00 0.00 H new ATOM 0 HB2 GLU A 89 68.837 46.635 -15.032 1.00 0.00 H new ATOM 0 HB3 GLU A 89 70.508 46.966 -14.622 1.00 0.00 H new ATOM 0 HG2 GLU A 89 69.816 48.936 -13.286 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.144 48.679 -13.740 1.00 0.00 H new ATOM 1070 N ARG A 90 72.029 48.968 -15.908 1.00 0.00 N ATOM 1071 CA ARG A 90 73.235 49.804 -15.804 1.00 0.00 C ATOM 1072 C ARG A 90 73.195 50.905 -16.861 1.00 0.00 C ATOM 1073 O ARG A 90 73.470 52.052 -16.546 1.00 0.00 O ATOM 1074 CB ARG A 90 74.497 48.949 -15.986 1.00 0.00 C ATOM 1075 CG ARG A 90 74.650 47.808 -14.974 1.00 0.00 C ATOM 1076 CD ARG A 90 75.261 48.185 -13.625 1.00 0.00 C ATOM 1077 NE ARG A 90 75.321 46.982 -12.771 1.00 0.00 N ATOM 1078 CZ ARG A 90 75.856 46.848 -11.576 1.00 0.00 C ATOM 1079 NH1 ARG A 90 76.441 47.826 -10.942 1.00 0.00 N ATOM 1080 NH2 ARG A 90 75.795 45.681 -11.012 1.00 0.00 N ATOM 0 H ARG A 90 72.234 47.985 -16.087 1.00 0.00 H new ATOM 0 HA ARG A 90 73.262 50.258 -14.813 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.491 48.527 -16.991 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.371 49.597 -15.917 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.667 47.373 -14.796 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.266 47.030 -15.425 1.00 0.00 H new ATOM 0 HD2 ARG A 90 76.260 48.597 -13.766 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.663 48.959 -13.144 1.00 0.00 H new ATOM 0 HE ARG A 90 74.890 46.143 -13.159 1.00 0.00 H new ATOM 0 HH11 ARG A 90 76.500 48.749 -11.372 1.00 0.00 H new ATOM 0 HH12 ARG A 90 76.840 47.668 -10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 90 75.343 44.904 -11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 90 76.199 45.540 -10.086 1.00 0.00 H new ATOM 1094 N LYS A 91 72.761 50.584 -18.082 1.00 0.00 N ATOM 1095 CA LYS A 91 72.555 51.540 -19.188 1.00 0.00 C ATOM 1096 C LYS A 91 71.371 52.487 -18.963 1.00 0.00 C ATOM 1097 O LYS A 91 71.456 53.644 -19.366 1.00 0.00 O ATOM 1098 CB LYS A 91 72.385 50.791 -20.523 1.00 0.00 C ATOM 1099 CG LYS A 91 72.432 51.668 -21.788 1.00 0.00 C ATOM 1100 CD LYS A 91 71.893 50.895 -23.003 1.00 0.00 C ATOM 1101 CE LYS A 91 70.367 51.049 -23.116 1.00 0.00 C ATOM 1102 NZ LYS A 91 69.773 50.077 -24.073 1.00 0.00 N ATOM 0 H LYS A 91 72.535 49.624 -18.343 1.00 0.00 H new ATOM 0 HA LYS A 91 73.450 52.161 -19.223 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.167 50.035 -20.597 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.432 50.263 -20.504 1.00 0.00 H new ATOM 0 HG2 LYS A 91 71.841 52.571 -21.633 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.457 51.987 -21.978 1.00 0.00 H new ATOM 0 HD2 LYS A 91 72.368 51.262 -23.913 1.00 0.00 H new ATOM 0 HD3 LYS A 91 72.151 49.840 -22.912 1.00 0.00 H new ATOM 0 HE2 LYS A 91 69.916 50.911 -22.133 1.00 0.00 H new ATOM 0 HE3 LYS A 91 70.129 52.063 -23.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 69.076 50.563 -24.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 70.524 49.675 -24.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 69.303 49.314 -23.546 1.00 0.00 H new ATOM 1116 N LYS A 92 70.301 52.070 -18.274 1.00 0.00 N ATOM 1117 CA LYS A 92 69.260 52.998 -17.799 1.00 0.00 C ATOM 1118 C LYS A 92 69.861 54.057 -16.857 1.00 0.00 C ATOM 1119 O LYS A 92 69.456 55.220 -16.919 1.00 0.00 O ATOM 1120 CB LYS A 92 68.098 52.213 -17.163 1.00 0.00 C ATOM 1121 CG LYS A 92 66.859 53.095 -16.958 1.00 0.00 C ATOM 1122 CD LYS A 92 65.677 52.277 -16.418 1.00 0.00 C ATOM 1123 CE LYS A 92 64.449 53.182 -16.245 1.00 0.00 C ATOM 1124 NZ LYS A 92 63.271 52.424 -15.738 1.00 0.00 N ATOM 0 H LYS A 92 70.131 51.094 -18.031 1.00 0.00 H new ATOM 0 HA LYS A 92 68.847 53.544 -18.647 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.840 51.366 -17.799 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.417 51.805 -16.204 1.00 0.00 H new ATOM 0 HG2 LYS A 92 67.094 53.901 -16.263 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.581 53.561 -17.903 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.445 51.462 -17.103 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.943 51.824 -15.463 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.687 53.990 -15.553 1.00 0.00 H new ATOM 0 HE3 LYS A 92 64.200 53.644 -17.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 62.462 53.069 -15.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 63.028 51.669 -16.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.500 52.004 -14.814 1.00 0.00 H new ATOM 1138 N SER A 93 70.887 53.694 -16.077 1.00 0.00 N ATOM 1139 CA SER A 93 71.740 54.680 -15.370 1.00 0.00 C ATOM 1140 C SER A 93 72.853 55.336 -16.229 1.00 0.00 C ATOM 1141 O SER A 93 73.295 56.441 -15.907 1.00 0.00 O ATOM 1142 CB SER A 93 72.360 54.055 -14.113 1.00 0.00 C ATOM 1143 OG SER A 93 71.342 53.621 -13.219 1.00 0.00 O ATOM 0 H SER A 93 71.154 52.723 -15.914 1.00 0.00 H new ATOM 0 HA SER A 93 71.059 55.489 -15.107 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.991 53.211 -14.392 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.002 54.783 -13.617 1.00 0.00 H new ATOM 0 HG SER A 93 71.753 53.223 -12.423 1.00 0.00 H new ATOM 1149 N GLU A 94 73.313 54.694 -17.309 1.00 0.00 N ATOM 1150 CA GLU A 94 74.509 55.038 -18.106 1.00 0.00 C ATOM 1151 C GLU A 94 74.271 54.861 -19.629 1.00 0.00 C ATOM 1152 O GLU A 94 74.702 53.858 -20.207 1.00 0.00 O ATOM 1153 CB GLU A 94 75.701 54.153 -17.671 1.00 0.00 C ATOM 1154 CG GLU A 94 76.061 54.264 -16.190 1.00 0.00 C ATOM 1155 CD GLU A 94 77.363 53.495 -15.888 1.00 0.00 C ATOM 1156 OE1 GLU A 94 78.469 54.068 -16.067 1.00 0.00 O ATOM 1157 OE2 GLU A 94 77.300 52.322 -15.448 1.00 0.00 O ATOM 0 H GLU A 94 72.836 53.871 -17.677 1.00 0.00 H new ATOM 0 HA GLU A 94 74.729 56.090 -17.922 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.468 53.113 -17.899 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.574 54.422 -18.266 1.00 0.00 H new ATOM 0 HG2 GLU A 94 76.180 55.312 -15.917 1.00 0.00 H new ATOM 0 HG3 GLU A 94 75.248 53.867 -15.582 1.00 0.00 H new ATOM 1164 N PRO A 95 73.599 55.797 -20.329 1.00 0.00 N ATOM 1165 CA PRO A 95 73.121 55.604 -21.710 1.00 0.00 C ATOM 1166 C PRO A 95 74.201 55.344 -22.789 1.00 0.00 C ATOM 1167 O PRO A 95 73.865 55.040 -23.936 1.00 0.00 O ATOM 1168 CB PRO A 95 72.263 56.840 -22.023 1.00 0.00 C ATOM 1169 CG PRO A 95 72.718 57.886 -21.007 1.00 0.00 C ATOM 1170 CD PRO A 95 73.067 57.037 -19.789 1.00 0.00 C ATOM 0 HA PRO A 95 72.558 54.672 -21.754 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.420 57.184 -23.045 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.200 56.622 -21.920 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.577 58.453 -21.366 1.00 0.00 H new ATOM 0 HG3 PRO A 95 71.930 58.607 -20.787 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.800 57.538 -19.157 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.187 56.853 -19.172 1.00 0.00 H new ATOM 1178 N TRP A 96 75.487 55.427 -22.435 1.00 0.00 N ATOM 1179 CA TRP A 96 76.654 55.129 -23.279 1.00 0.00 C ATOM 1180 C TRP A 96 77.152 53.667 -23.208 1.00 0.00 C ATOM 1181 O TRP A 96 78.074 53.305 -23.944 1.00 0.00 O ATOM 1182 CB TRP A 96 77.771 56.104 -22.869 1.00 0.00 C ATOM 1183 CG TRP A 96 78.102 56.105 -21.404 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.968 55.270 -20.785 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.548 56.954 -20.349 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.985 55.538 -19.429 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.126 56.566 -19.102 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.606 58.007 -20.318 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.781 57.180 -17.890 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.259 58.636 -19.105 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.839 58.222 -17.892 1.00 0.00 C ATOM 0 H TRP A 96 75.760 55.721 -21.497 1.00 0.00 H new ATOM 0 HA TRP A 96 76.355 55.257 -24.319 1.00 0.00 H new ATOM 0 HB2 TRP A 96 78.672 55.858 -23.430 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.479 57.113 -23.161 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.557 54.509 -21.276 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.562 55.037 -18.753 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.145 58.335 -21.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.234 56.856 -16.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.541 59.443 -19.107 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.561 58.703 -16.966 1.00 0.00 H new ATOM 1202 N LEU A 97 76.605 52.821 -22.323 1.00 0.00 N ATOM 1203 CA LEU A 97 77.163 51.506 -22.000 1.00 0.00 C ATOM 1204 C LEU A 97 77.197 50.533 -23.198 1.00 0.00 C ATOM 1205 O LEU A 97 76.208 50.377 -23.918 1.00 0.00 O ATOM 1206 CB LEU A 97 76.352 50.921 -20.830 1.00 0.00 C ATOM 1207 CG LEU A 97 77.056 49.789 -20.080 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.328 50.235 -19.356 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.102 49.218 -19.035 1.00 0.00 C ATOM 0 H LEU A 97 75.752 53.036 -21.807 1.00 0.00 H new ATOM 0 HA LEU A 97 78.208 51.639 -21.721 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.124 51.721 -20.126 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.400 50.551 -21.212 1.00 0.00 H new ATOM 0 HG LEU A 97 77.341 49.051 -20.830 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.775 49.381 -18.846 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.037 50.637 -20.080 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.080 51.005 -18.626 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.595 48.410 -18.495 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.818 50.003 -18.334 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.210 48.833 -19.529 1.00 0.00 H new ATOM 1221 N ARG A 98 78.323 49.826 -23.373 1.00 0.00 N ATOM 1222 CA ARG A 98 78.534 48.837 -24.450 1.00 0.00 C ATOM 1223 C ARG A 98 78.018 47.434 -24.080 1.00 0.00 C ATOM 1224 O ARG A 98 77.893 47.100 -22.902 1.00 0.00 O ATOM 1225 CB ARG A 98 80.025 48.795 -24.837 1.00 0.00 C ATOM 1226 CG ARG A 98 80.661 50.149 -25.206 1.00 0.00 C ATOM 1227 CD ARG A 98 79.906 50.919 -26.301 1.00 0.00 C ATOM 1228 NE ARG A 98 80.774 51.934 -26.931 1.00 0.00 N ATOM 1229 CZ ARG A 98 80.975 53.191 -26.569 1.00 0.00 C ATOM 1230 NH1 ARG A 98 80.342 53.761 -25.583 1.00 0.00 N ATOM 1231 NH2 ARG A 98 81.845 53.917 -27.212 1.00 0.00 N ATOM 0 H ARG A 98 79.132 49.925 -22.759 1.00 0.00 H new ATOM 0 HA ARG A 98 77.947 49.159 -25.310 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.585 48.367 -24.005 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.142 48.117 -25.683 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.714 50.769 -24.311 1.00 0.00 H new ATOM 0 HG3 ARG A 98 81.686 49.979 -25.537 1.00 0.00 H new ATOM 0 HD2 ARG A 98 79.547 50.222 -27.058 1.00 0.00 H new ATOM 0 HD3 ARG A 98 79.029 51.402 -25.871 1.00 0.00 H new ATOM 0 HE ARG A 98 81.288 51.625 -27.756 1.00 0.00 H new ATOM 0 HH11 ARG A 98 79.652 53.234 -25.047 1.00 0.00 H new ATOM 0 HH12 ARG A 98 80.536 54.734 -25.347 1.00 0.00 H new ATOM 0 HH21 ARG A 98 82.368 53.516 -27.991 1.00 0.00 H new ATOM 0 HH22 ARG A 98 82.003 54.886 -26.937 1.00 0.00 H new ATOM 1245 N LEU A 99 77.734 46.620 -25.102 1.00 0.00 N ATOM 1246 CA LEU A 99 77.090 45.299 -25.022 1.00 0.00 C ATOM 1247 C LEU A 99 77.813 44.303 -25.946 1.00 0.00 C ATOM 1248 O LEU A 99 78.060 44.611 -27.115 1.00 0.00 O ATOM 1249 CB LEU A 99 75.614 45.514 -25.420 1.00 0.00 C ATOM 1250 CG LEU A 99 74.581 44.376 -25.294 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.725 43.388 -26.454 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.586 43.682 -23.933 1.00 0.00 C ATOM 0 H LEU A 99 77.959 46.877 -26.063 1.00 0.00 H new ATOM 0 HA LEU A 99 77.143 44.871 -24.021 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.242 46.349 -24.826 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.608 45.836 -26.461 1.00 0.00 H new ATOM 0 HG LEU A 99 73.597 44.840 -25.360 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.988 42.592 -26.348 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.563 43.909 -27.398 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.727 42.958 -26.444 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.833 42.894 -23.923 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.568 43.247 -23.750 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.361 44.409 -23.153 1.00 0.00 H new ATOM 1264 N ASP A 100 78.141 43.111 -25.439 1.00 0.00 N ATOM 1265 CA ASP A 100 78.776 42.030 -26.211 1.00 0.00 C ATOM 1266 C ASP A 100 78.238 40.653 -25.783 1.00 0.00 C ATOM 1267 O ASP A 100 78.165 40.353 -24.590 1.00 0.00 O ATOM 1268 CB ASP A 100 80.305 42.113 -26.051 1.00 0.00 C ATOM 1269 CG ASP A 100 81.086 41.130 -26.949 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.494 40.503 -27.861 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.320 41.005 -26.752 1.00 0.00 O ATOM 0 H ASP A 100 77.971 42.862 -24.464 1.00 0.00 H new ATOM 0 HA ASP A 100 78.529 42.154 -27.265 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.629 43.129 -26.276 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.562 41.920 -25.009 1.00 0.00 H new ATOM 1276 N MET A 101 77.845 39.824 -26.758 1.00 0.00 N ATOM 1277 CA MET A 101 77.251 38.492 -26.556 1.00 0.00 C ATOM 1278 C MET A 101 77.959 37.374 -27.350 1.00 0.00 C ATOM 1279 O MET A 101 77.492 36.231 -27.343 1.00 0.00 O ATOM 1280 CB MET A 101 75.746 38.547 -26.875 1.00 0.00 C ATOM 1281 CG MET A 101 74.983 39.465 -25.917 1.00 0.00 C ATOM 1282 SD MET A 101 73.220 39.575 -26.303 1.00 0.00 S ATOM 1283 CE MET A 101 72.668 40.640 -24.950 1.00 0.00 C ATOM 0 H MET A 101 77.934 40.069 -27.744 1.00 0.00 H new ATOM 0 HA MET A 101 77.392 38.228 -25.508 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.606 38.896 -27.898 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.328 37.542 -26.821 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.104 39.099 -24.897 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.420 40.463 -25.952 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.750 40.237 -24.521 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.440 40.682 -24.182 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.480 41.644 -25.331 1.00 0.00 H new ATOM 1293 N SER A 102 79.086 37.665 -28.012 1.00 0.00 N ATOM 1294 CA SER A 102 79.956 36.633 -28.601 1.00 0.00 C ATOM 1295 C SER A 102 80.532 35.729 -27.503 1.00 0.00 C ATOM 1296 O SER A 102 80.782 36.185 -26.387 1.00 0.00 O ATOM 1297 CB SER A 102 81.091 37.268 -29.414 1.00 0.00 C ATOM 1298 OG SER A 102 80.564 37.931 -30.557 1.00 0.00 O ATOM 0 H SER A 102 79.421 38.618 -28.155 1.00 0.00 H new ATOM 0 HA SER A 102 79.351 36.027 -29.276 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.640 37.977 -28.794 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.800 36.500 -29.724 1.00 0.00 H new ATOM 0 HG SER A 102 81.297 38.334 -31.068 1.00 0.00 H new ATOM 1304 N ASP A 103 80.759 34.444 -27.796 1.00 0.00 N ATOM 1305 CA ASP A 103 80.974 33.421 -26.753 1.00 0.00 C ATOM 1306 C ASP A 103 82.211 33.695 -25.871 1.00 0.00 C ATOM 1307 O ASP A 103 82.210 33.399 -24.677 1.00 0.00 O ATOM 1308 CB ASP A 103 81.047 32.030 -27.415 1.00 0.00 C ATOM 1309 CG ASP A 103 80.325 30.898 -26.649 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.628 31.146 -25.634 1.00 0.00 O ATOM 1311 OD2 ASP A 103 80.387 29.740 -27.133 1.00 0.00 O ATOM 0 H ASP A 103 80.800 34.081 -28.749 1.00 0.00 H new ATOM 0 HA ASP A 103 80.124 33.459 -26.071 1.00 0.00 H new ATOM 0 HB2 ASP A 103 80.621 32.099 -28.416 1.00 0.00 H new ATOM 0 HB3 ASP A 103 82.095 31.756 -27.533 1.00 0.00 H new ATOM 1316 N LYS A 104 83.227 34.380 -26.422 1.00 0.00 N ATOM 1317 CA LYS A 104 84.409 34.856 -25.683 1.00 0.00 C ATOM 1318 C LYS A 104 84.061 35.766 -24.497 1.00 0.00 C ATOM 1319 O LYS A 104 84.708 35.662 -23.458 1.00 0.00 O ATOM 1320 CB LYS A 104 85.383 35.556 -26.647 1.00 0.00 C ATOM 1321 CG LYS A 104 86.010 34.574 -27.651 1.00 0.00 C ATOM 1322 CD LYS A 104 87.032 35.282 -28.551 1.00 0.00 C ATOM 1323 CE LYS A 104 87.653 34.283 -29.537 1.00 0.00 C ATOM 1324 NZ LYS A 104 88.658 34.935 -30.423 1.00 0.00 N ATOM 0 H LYS A 104 83.250 34.623 -27.412 1.00 0.00 H new ATOM 0 HA LYS A 104 84.889 33.978 -25.252 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.855 36.340 -27.189 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.173 36.042 -26.074 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.496 33.760 -27.113 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.228 34.128 -28.265 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.547 36.090 -29.098 1.00 0.00 H new ATOM 0 HD3 LYS A 104 87.813 35.735 -27.940 1.00 0.00 H new ATOM 0 HE2 LYS A 104 88.127 33.473 -28.984 1.00 0.00 H new ATOM 0 HE3 LYS A 104 86.867 33.836 -30.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 89.056 34.229 -31.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 88.200 35.692 -30.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 89.421 35.340 -29.844 1.00 0.00 H new ATOM 1338 N ALA A 105 83.010 36.586 -24.594 1.00 0.00 N ATOM 1339 CA ALA A 105 82.516 37.397 -23.473 1.00 0.00 C ATOM 1340 C ALA A 105 82.026 36.521 -22.311 1.00 0.00 C ATOM 1341 O ALA A 105 82.325 36.795 -21.148 1.00 0.00 O ATOM 1342 CB ALA A 105 81.422 38.348 -23.979 1.00 0.00 C ATOM 0 H ALA A 105 82.475 36.708 -25.454 1.00 0.00 H new ATOM 0 HA ALA A 105 83.338 37.992 -23.076 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.053 38.952 -23.150 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.835 39.001 -24.748 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.601 37.767 -24.399 1.00 0.00 H new ATOM 1348 N ILE A 106 81.342 35.422 -22.631 1.00 0.00 N ATOM 1349 CA ILE A 106 80.798 34.474 -21.658 1.00 0.00 C ATOM 1350 C ILE A 106 81.948 33.685 -21.026 1.00 0.00 C ATOM 1351 O ILE A 106 82.019 33.616 -19.804 1.00 0.00 O ATOM 1352 CB ILE A 106 79.715 33.584 -22.321 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.405 34.358 -22.599 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.356 32.368 -21.445 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.507 35.552 -23.560 1.00 0.00 C ATOM 0 H ILE A 106 81.146 35.160 -23.597 1.00 0.00 H new ATOM 0 HA ILE A 106 80.292 35.000 -20.848 1.00 0.00 H new ATOM 0 HB ILE A 106 80.155 33.255 -23.262 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.673 33.657 -23.001 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.012 34.718 -21.648 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.594 31.771 -21.946 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.246 31.760 -21.284 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.974 32.712 -20.484 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.525 36.012 -23.674 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.206 36.285 -23.157 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.862 35.208 -24.532 1.00 0.00 H new ATOM 1367 N PHE A 107 82.901 33.188 -21.823 1.00 0.00 N ATOM 1368 CA PHE A 107 84.100 32.504 -21.310 1.00 0.00 C ATOM 1369 C PHE A 107 84.904 33.386 -20.338 1.00 0.00 C ATOM 1370 O PHE A 107 85.315 32.929 -19.269 1.00 0.00 O ATOM 1371 CB PHE A 107 85.044 32.111 -22.461 1.00 0.00 C ATOM 1372 CG PHE A 107 84.494 31.337 -23.644 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.332 30.545 -23.559 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.198 31.413 -24.862 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.877 29.844 -24.690 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.738 30.717 -25.993 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.582 29.924 -25.904 1.00 0.00 C ATOM 0 H PHE A 107 82.866 33.247 -22.841 1.00 0.00 H new ATOM 0 HA PHE A 107 83.737 31.620 -20.785 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.487 33.028 -22.848 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.854 31.521 -22.033 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.791 30.476 -22.627 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.096 32.009 -24.927 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.983 29.242 -24.626 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.272 30.792 -26.929 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.235 29.376 -26.768 1.00 0.00 H new ATOM 1387 N ARG A 108 85.137 34.653 -20.710 1.00 0.00 N ATOM 1388 CA ARG A 108 86.001 35.588 -19.987 1.00 0.00 C ATOM 1389 C ARG A 108 85.353 36.114 -18.702 1.00 0.00 C ATOM 1390 O ARG A 108 86.036 36.215 -17.682 1.00 0.00 O ATOM 1391 CB ARG A 108 86.419 36.672 -20.997 1.00 0.00 C ATOM 1392 CG ARG A 108 87.607 37.533 -20.555 1.00 0.00 C ATOM 1393 CD ARG A 108 87.228 38.756 -19.705 1.00 0.00 C ATOM 1394 NE ARG A 108 88.431 39.494 -19.268 1.00 0.00 N ATOM 1395 CZ ARG A 108 89.081 40.450 -19.912 1.00 0.00 C ATOM 1396 NH1 ARG A 108 88.712 40.878 -21.088 1.00 0.00 N ATOM 1397 NH2 ARG A 108 90.133 40.999 -19.377 1.00 0.00 N ATOM 0 H ARG A 108 84.717 35.063 -21.544 1.00 0.00 H new ATOM 0 HA ARG A 108 86.897 35.094 -19.611 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.668 36.192 -21.943 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.565 37.323 -21.185 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.298 36.911 -19.986 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.142 37.874 -21.441 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.582 39.417 -20.282 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.658 38.434 -18.833 1.00 0.00 H new ATOM 0 HE ARG A 108 88.807 39.234 -18.356 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.895 40.473 -21.545 1.00 0.00 H new ATOM 0 HH12 ARG A 108 89.241 41.617 -21.551 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.458 40.692 -18.460 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.633 41.736 -19.875 1.00 0.00 H new ATOM 1411 N ARG A 109 84.038 36.386 -18.715 1.00 0.00 N ATOM 1412 CA ARG A 109 83.272 36.736 -17.500 1.00 0.00 C ATOM 1413 C ARG A 109 83.050 35.533 -16.574 1.00 0.00 C ATOM 1414 O ARG A 109 83.123 35.680 -15.354 1.00 0.00 O ATOM 1415 CB ARG A 109 81.916 37.353 -17.881 1.00 0.00 C ATOM 1416 CG ARG A 109 82.059 38.771 -18.460 1.00 0.00 C ATOM 1417 CD ARG A 109 80.697 39.378 -18.832 1.00 0.00 C ATOM 1418 NE ARG A 109 79.796 39.462 -17.659 1.00 0.00 N ATOM 1419 CZ ARG A 109 79.765 40.392 -16.718 1.00 0.00 C ATOM 1420 NH1 ARG A 109 80.522 41.450 -16.761 1.00 0.00 N ATOM 1421 NH2 ARG A 109 78.961 40.262 -15.700 1.00 0.00 N ATOM 0 H ARG A 109 83.474 36.370 -19.565 1.00 0.00 H new ATOM 0 HA ARG A 109 83.870 37.464 -16.952 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.421 36.713 -18.612 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.275 37.386 -17.000 1.00 0.00 H new ATOM 0 HG2 ARG A 109 82.555 39.412 -17.732 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.696 38.740 -19.344 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.844 40.374 -19.250 1.00 0.00 H new ATOM 0 HD3 ARG A 109 80.229 38.773 -19.608 1.00 0.00 H new ATOM 0 HE ARG A 109 79.114 38.709 -17.565 1.00 0.00 H new ATOM 0 HH11 ARG A 109 81.168 41.584 -17.539 1.00 0.00 H new ATOM 0 HH12 ARG A 109 80.470 42.145 -16.016 1.00 0.00 H new ATOM 0 HH21 ARG A 109 78.356 39.444 -15.629 1.00 0.00 H new ATOM 0 HH22 ARG A 109 78.937 40.979 -14.974 1.00 0.00 H new ATOM 1435 N TYR A 110 82.790 34.361 -17.155 1.00 0.00 N ATOM 1436 CA TYR A 110 82.320 33.160 -16.462 1.00 0.00 C ATOM 1437 C TYR A 110 83.177 31.930 -16.846 1.00 0.00 C ATOM 1438 O TYR A 110 82.800 31.153 -17.730 1.00 0.00 O ATOM 1439 CB TYR A 110 80.826 32.969 -16.777 1.00 0.00 C ATOM 1440 CG TYR A 110 79.953 34.200 -16.595 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.860 34.829 -15.339 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.250 34.723 -17.697 1.00 0.00 C ATOM 1443 CE1 TYR A 110 79.078 35.995 -15.198 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.437 35.864 -17.548 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.351 36.502 -16.294 1.00 0.00 C ATOM 1446 OH TYR A 110 77.577 37.615 -16.143 1.00 0.00 O ATOM 0 H TYR A 110 82.905 34.216 -18.158 1.00 0.00 H new ATOM 0 HA TYR A 110 82.432 33.275 -15.384 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.731 32.628 -17.808 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.438 32.173 -16.141 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.385 34.421 -14.488 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.334 34.247 -18.663 1.00 0.00 H new ATOM 0 HE1 TYR A 110 79.036 36.502 -14.245 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.882 36.248 -18.391 1.00 0.00 H new ATOM 0 HH TYR A 110 77.145 37.831 -16.996 1.00 0.00 H new ATOM 1456 N PRO A 111 84.343 31.718 -16.199 1.00 0.00 N ATOM 1457 CA PRO A 111 85.310 30.693 -16.608 1.00 0.00 C ATOM 1458 C PRO A 111 84.813 29.246 -16.427 1.00 0.00 C ATOM 1459 O PRO A 111 85.361 28.329 -17.040 1.00 0.00 O ATOM 1460 CB PRO A 111 86.573 30.979 -15.786 1.00 0.00 C ATOM 1461 CG PRO A 111 86.041 31.679 -14.537 1.00 0.00 C ATOM 1462 CD PRO A 111 84.871 32.493 -15.083 1.00 0.00 C ATOM 0 HA PRO A 111 85.492 30.755 -17.681 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.104 30.061 -15.535 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.272 31.612 -16.333 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.719 30.965 -13.779 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.797 32.315 -14.076 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.110 32.648 -14.318 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.199 33.480 -15.411 1.00 0.00 H new ATOM 1470 N HIS A 112 83.756 29.029 -15.632 1.00 0.00 N ATOM 1471 CA HIS A 112 83.089 27.728 -15.483 1.00 0.00 C ATOM 1472 C HIS A 112 82.211 27.352 -16.693 1.00 0.00 C ATOM 1473 O HIS A 112 81.938 26.169 -16.914 1.00 0.00 O ATOM 1474 CB HIS A 112 82.240 27.762 -14.203 1.00 0.00 C ATOM 1475 CG HIS A 112 80.938 28.514 -14.356 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.802 29.865 -14.697 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.701 27.940 -14.309 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.479 30.076 -14.823 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.803 28.942 -14.593 1.00 0.00 N ATOM 0 H HIS A 112 83.334 29.764 -15.065 1.00 0.00 H new ATOM 0 HA HIS A 112 83.861 26.961 -15.422 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.024 26.739 -13.894 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.822 28.221 -13.404 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.473 26.907 -14.092 1.00 0.00 H new ATOM 0 HE1 HIS A 112 79.027 31.024 -15.074 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.789 28.839 -14.624 1.00 0.00 H new ATOM 1487 N LEU A 113 81.760 28.349 -17.464 1.00 0.00 N ATOM 1488 CA LEU A 113 80.786 28.218 -18.543 1.00 0.00 C ATOM 1489 C LEU A 113 81.427 27.748 -19.875 1.00 0.00 C ATOM 1490 O LEU A 113 80.748 27.155 -20.718 1.00 0.00 O ATOM 1491 CB LEU A 113 80.097 29.599 -18.659 1.00 0.00 C ATOM 1492 CG LEU A 113 78.585 29.610 -18.918 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.210 28.745 -20.105 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.767 29.189 -17.708 1.00 0.00 C ATOM 0 H LEU A 113 82.081 29.310 -17.344 1.00 0.00 H new ATOM 0 HA LEU A 113 80.057 27.439 -18.320 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.286 30.149 -17.737 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.581 30.151 -19.464 1.00 0.00 H new ATOM 0 HG LEU A 113 78.342 30.649 -19.139 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.131 28.780 -20.254 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.712 29.116 -20.998 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.517 27.716 -19.917 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.706 29.218 -17.958 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.043 28.176 -17.417 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.964 29.871 -16.881 1.00 0.00 H new ATOM 1506 N ARG A 114 82.735 27.994 -20.060 1.00 0.00 N ATOM 1507 CA ARG A 114 83.516 27.592 -21.246 1.00 0.00 C ATOM 1508 C ARG A 114 83.615 26.062 -21.377 1.00 0.00 C ATOM 1509 O ARG A 114 83.190 25.531 -22.430 1.00 0.00 O ATOM 1510 CB ARG A 114 84.889 28.292 -21.215 1.00 0.00 C ATOM 1511 CG ARG A 114 85.710 28.161 -22.515 1.00 0.00 C ATOM 1512 CD ARG A 114 86.540 26.874 -22.650 1.00 0.00 C ATOM 1513 NE ARG A 114 87.564 26.752 -21.594 1.00 0.00 N ATOM 1514 CZ ARG A 114 88.788 27.249 -21.598 1.00 0.00 C ATOM 1515 NH1 ARG A 114 89.259 27.942 -22.597 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.571 27.059 -20.579 1.00 0.00 N ATOM 1517 OXT ARG A 114 84.115 25.396 -20.440 1.00 0.00 O ATOM 0 H ARG A 114 83.296 28.493 -19.369 1.00 0.00 H new ATOM 0 HA ARG A 114 82.997 27.919 -22.147 1.00 0.00 H new ATOM 0 HB2 ARG A 114 84.737 29.350 -21.003 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.472 27.882 -20.390 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.027 28.222 -23.362 1.00 0.00 H new ATOM 0 HG3 ARG A 114 86.383 29.015 -22.586 1.00 0.00 H new ATOM 0 HD2 ARG A 114 85.876 26.011 -22.610 1.00 0.00 H new ATOM 0 HD3 ARG A 114 87.025 26.858 -23.626 1.00 0.00 H new ATOM 0 HE ARG A 114 87.295 26.222 -20.765 1.00 0.00 H new ATOM 0 HH11 ARG A 114 88.676 28.118 -23.415 1.00 0.00 H new ATOM 0 HH12 ARG A 114 90.210 28.308 -22.560 1.00 0.00 H new ATOM 0 HH21 ARG A 114 89.241 26.526 -19.775 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.516 27.443 -20.583 1.00 0.00 H new TER 1531 ARG A 114