USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 851 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 48 GLN : amide:sc= -4.33! K(o=-4.2!,f=-1.3) USER MOD Set 1.2: A 68 SER OG : rot 120:sc= 0.145 USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0.227 K(o=0.2,f=-2.3!) USER MOD Set 2.2: A 9 HIS : no HD1:sc= -0.0289 K(o=0.2,f=-0.53) USER MOD Single : A 1 ARG N :NH3+ -130:sc= 0.105 (180deg=-0.285) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.61) USER MOD Single : A 6 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.12) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 16 THR OG1 : rot 140:sc= -0.873 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 149:sc= 0.644 USER MOD Single : A 26 LYS NZ :NH3+ -148:sc= -0.0472 (180deg=-0.489) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= -0.0516 (180deg=-0.575) USER MOD Single : A 34 TYR OH : rot 15:sc= -1.96! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.294 USER MOD Single : A 49 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.31) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.00247) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.439 K(o=-0.44,f=-2.2!) USER MOD Single : A 81 MET CE :methyl 143:sc= -5.58! (180deg=-13.1!) USER MOD Single : A 82 SER OG : rot 119:sc= -2.79! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -99:sc= -0.0132 (180deg=-2.26!) USER MOD Single : A 88 ASN : amide:sc= 0.611 K(o=0.61,f=-5.2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 161:sc= 0.0196 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 15:sc= -0.381 USER MOD Single : A 105 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.701) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.971 -8.910 -15.741 1.00 0.00 N ATOM 2 CA ARG A 1 -8.872 -7.915 -16.845 1.00 0.00 C ATOM 3 C ARG A 1 -8.393 -6.575 -16.282 1.00 0.00 C ATOM 4 O ARG A 1 -8.082 -6.457 -15.114 1.00 0.00 O ATOM 5 CB ARG A 1 -10.245 -7.734 -17.494 1.00 0.00 C ATOM 6 CG ARG A 1 -10.665 -9.039 -18.173 1.00 0.00 C ATOM 7 CD ARG A 1 -11.980 -8.822 -18.925 1.00 0.00 C ATOM 8 NE ARG A 1 -12.487 -10.131 -19.425 1.00 0.00 N ATOM 9 CZ ARG A 1 -12.531 -11.162 -18.627 1.00 0.00 C ATOM 10 NH1 ARG A 1 -13.242 -11.112 -17.534 1.00 0.00 N ATOM 11 NH2 ARG A 1 -11.864 -12.244 -18.922 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.476 -9.783 -16.015 1.00 0.00 H new ATOM 0 H2 ARG A 1 -8.535 -8.519 -14.881 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.972 -9.124 -15.555 1.00 0.00 H new ATOM 0 HA ARG A 1 -8.162 -8.270 -17.592 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -10.980 -7.451 -16.741 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -10.210 -6.926 -18.225 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.889 -9.368 -18.864 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -10.785 -9.827 -17.429 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -12.717 -8.362 -18.266 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.826 -8.137 -19.759 1.00 0.00 H new ATOM 0 HE ARG A 1 -12.800 -10.221 -20.392 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -13.764 -10.266 -17.303 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -13.276 -11.918 -16.910 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -11.308 -12.284 -19.776 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -11.898 -13.050 -18.298 1.00 0.00 H new ATOM 27 N GLY A 2 -8.333 -5.563 -17.105 1.00 0.00 N ATOM 28 CA GLY A 2 -7.875 -4.232 -16.616 1.00 0.00 C ATOM 29 C GLY A 2 -8.897 -3.675 -15.623 1.00 0.00 C ATOM 30 O GLY A 2 -9.875 -3.062 -16.003 1.00 0.00 O ATOM 0 H GLY A 2 -8.581 -5.601 -18.094 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.900 -4.324 -16.138 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.755 -3.546 -17.454 1.00 0.00 H new ATOM 34 N SER A 3 -8.680 -3.883 -14.354 1.00 0.00 N ATOM 35 CA SER A 3 -9.640 -3.365 -13.339 1.00 0.00 C ATOM 36 C SER A 3 -9.451 -1.855 -13.180 1.00 0.00 C ATOM 37 O SER A 3 -8.393 -1.321 -13.447 1.00 0.00 O ATOM 38 CB SER A 3 -9.385 -4.055 -11.997 1.00 0.00 C ATOM 39 OG SER A 3 -8.214 -3.515 -11.403 1.00 0.00 O ATOM 0 H SER A 3 -7.879 -4.389 -13.976 1.00 0.00 H new ATOM 0 HA SER A 3 -10.659 -3.570 -13.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.240 -3.914 -11.335 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.269 -5.129 -12.144 1.00 0.00 H new ATOM 0 HG SER A 3 -8.051 -3.955 -10.543 1.00 0.00 H new ATOM 45 N HIS A 4 -10.468 -1.163 -12.745 1.00 0.00 N ATOM 46 CA HIS A 4 -10.346 0.311 -12.568 1.00 0.00 C ATOM 47 C HIS A 4 -10.256 0.639 -11.076 1.00 0.00 C ATOM 48 O HIS A 4 -11.256 0.812 -10.408 1.00 0.00 O ATOM 49 CB HIS A 4 -11.572 1.001 -13.169 1.00 0.00 C ATOM 50 CG HIS A 4 -11.694 0.631 -14.622 1.00 0.00 C ATOM 51 ND1 HIS A 4 -12.269 -0.560 -15.036 1.00 0.00 N ATOM 52 CD2 HIS A 4 -11.318 1.284 -15.769 1.00 0.00 C ATOM 53 CE1 HIS A 4 -12.224 -0.586 -16.381 1.00 0.00 C ATOM 54 NE2 HIS A 4 -11.654 0.514 -16.879 1.00 0.00 N ATOM 0 H HIS A 4 -11.378 -1.555 -12.504 1.00 0.00 H new ATOM 0 HA HIS A 4 -9.447 0.664 -13.073 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -12.471 0.703 -12.630 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -11.482 2.082 -13.064 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -10.835 2.249 -15.805 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -12.603 -1.398 -16.984 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -11.498 0.741 -17.861 1.00 0.00 H new ATOM 62 N HIS A 5 -9.066 0.724 -10.548 1.00 0.00 N ATOM 63 CA HIS A 5 -8.914 1.039 -9.100 1.00 0.00 C ATOM 64 C HIS A 5 -8.729 2.548 -8.921 1.00 0.00 C ATOM 65 O HIS A 5 -8.433 3.022 -7.842 1.00 0.00 O ATOM 66 CB HIS A 5 -7.691 0.306 -8.545 1.00 0.00 C ATOM 67 CG HIS A 5 -6.453 0.793 -9.247 1.00 0.00 C ATOM 68 ND1 HIS A 5 -6.048 0.280 -10.469 1.00 0.00 N ATOM 69 CD2 HIS A 5 -5.522 1.744 -8.912 1.00 0.00 C ATOM 70 CE1 HIS A 5 -4.918 0.920 -10.822 1.00 0.00 C ATOM 71 NE2 HIS A 5 -4.553 1.823 -9.908 1.00 0.00 N ATOM 0 H HIS A 5 -8.192 0.589 -11.057 1.00 0.00 H new ATOM 0 HA HIS A 5 -9.806 0.717 -8.563 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.606 0.479 -7.472 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.803 -0.769 -8.686 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.539 2.341 -8.012 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.372 0.727 -11.734 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -3.740 2.438 -9.934 1.00 0.00 H new ATOM 79 N HIS A 6 -8.901 3.305 -9.969 1.00 0.00 N ATOM 80 CA HIS A 6 -8.735 4.782 -9.855 1.00 0.00 C ATOM 81 C HIS A 6 -9.554 5.297 -8.670 1.00 0.00 C ATOM 82 O HIS A 6 -9.168 6.231 -7.995 1.00 0.00 O ATOM 83 CB HIS A 6 -9.224 5.451 -11.142 1.00 0.00 C ATOM 84 CG HIS A 6 -8.441 4.919 -12.311 1.00 0.00 C ATOM 85 ND1 HIS A 6 -7.147 5.332 -12.584 1.00 0.00 N ATOM 86 CD2 HIS A 6 -8.757 4.007 -13.288 1.00 0.00 C ATOM 87 CE1 HIS A 6 -6.735 4.676 -13.684 1.00 0.00 C ATOM 88 NE2 HIS A 6 -7.678 3.856 -14.154 1.00 0.00 N ATOM 0 H HIS A 6 -9.149 2.966 -10.898 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.682 5.019 -9.700 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.287 5.257 -11.284 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.104 6.532 -11.071 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.699 3.486 -13.372 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.760 4.798 -14.132 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.620 3.249 -14.972 1.00 0.00 H new ATOM 96 N HIS A 7 -10.683 4.696 -8.412 1.00 0.00 N ATOM 97 CA HIS A 7 -11.526 5.152 -7.271 1.00 0.00 C ATOM 98 C HIS A 7 -10.769 4.935 -5.959 1.00 0.00 C ATOM 99 O HIS A 7 -10.921 5.682 -5.012 1.00 0.00 O ATOM 100 CB HIS A 7 -12.829 4.349 -7.247 1.00 0.00 C ATOM 101 CG HIS A 7 -13.719 4.871 -6.153 1.00 0.00 C ATOM 102 ND1 HIS A 7 -14.371 6.090 -6.248 1.00 0.00 N ATOM 103 CD2 HIS A 7 -14.076 4.350 -4.933 1.00 0.00 C ATOM 104 CE1 HIS A 7 -15.079 6.261 -5.117 1.00 0.00 C ATOM 105 NE2 HIS A 7 -14.935 5.230 -4.281 1.00 0.00 N ATOM 0 H HIS A 7 -11.058 3.909 -8.942 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.754 6.211 -7.388 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.334 4.427 -8.210 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.615 3.293 -7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.741 3.402 -4.540 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.690 7.127 -4.910 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.362 5.113 -3.362 1.00 0.00 H new ATOM 113 N HIS A 8 -9.955 3.917 -5.894 1.00 0.00 N ATOM 114 CA HIS A 8 -9.190 3.653 -4.643 1.00 0.00 C ATOM 115 C HIS A 8 -8.333 4.874 -4.302 1.00 0.00 C ATOM 116 O HIS A 8 -8.251 5.288 -3.163 1.00 0.00 O ATOM 117 CB HIS A 8 -8.286 2.436 -4.846 1.00 0.00 C ATOM 118 CG HIS A 8 -7.352 2.304 -3.674 1.00 0.00 C ATOM 119 ND1 HIS A 8 -6.016 2.666 -3.750 1.00 0.00 N ATOM 120 CD2 HIS A 8 -7.546 1.853 -2.392 1.00 0.00 C ATOM 121 CE1 HIS A 8 -5.463 2.428 -2.546 1.00 0.00 C ATOM 122 NE2 HIS A 8 -6.352 1.932 -1.682 1.00 0.00 N ATOM 0 H HIS A 8 -9.787 3.257 -6.653 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.885 3.457 -3.826 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.890 1.534 -4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.716 2.543 -5.769 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.483 1.492 -1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.426 2.615 -2.308 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.190 1.668 -0.710 1.00 0.00 H new ATOM 130 N HIS A 9 -7.692 5.453 -5.280 1.00 0.00 N ATOM 131 CA HIS A 9 -6.841 6.646 -5.011 1.00 0.00 C ATOM 132 C HIS A 9 -7.639 7.670 -4.202 1.00 0.00 C ATOM 133 O HIS A 9 -7.102 8.373 -3.369 1.00 0.00 O ATOM 134 CB HIS A 9 -6.404 7.271 -6.337 1.00 0.00 C ATOM 135 CG HIS A 9 -5.304 6.443 -6.943 1.00 0.00 C ATOM 136 ND1 HIS A 9 -5.553 5.456 -7.883 1.00 0.00 N ATOM 137 CD2 HIS A 9 -3.944 6.444 -6.752 1.00 0.00 C ATOM 138 CE1 HIS A 9 -4.371 4.908 -8.220 1.00 0.00 C ATOM 139 NE2 HIS A 9 -3.357 5.474 -7.560 1.00 0.00 N ATOM 0 H HIS A 9 -7.721 5.151 -6.254 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.960 6.343 -4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.251 7.327 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.058 8.292 -6.174 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.411 7.098 -6.078 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.256 4.108 -8.937 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.366 5.245 -7.632 1.00 0.00 H new ATOM 147 N GLY A 10 -8.919 7.761 -4.440 1.00 0.00 N ATOM 148 CA GLY A 10 -9.750 8.740 -3.684 1.00 0.00 C ATOM 149 C GLY A 10 -10.113 9.913 -4.598 1.00 0.00 C ATOM 150 O GLY A 10 -10.627 9.731 -5.683 1.00 0.00 O ATOM 0 H GLY A 10 -9.425 7.200 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.656 8.257 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.204 9.100 -2.812 1.00 0.00 H new ATOM 154 N SER A 11 -9.849 11.116 -4.167 1.00 0.00 N ATOM 155 CA SER A 11 -10.179 12.299 -5.011 1.00 0.00 C ATOM 156 C SER A 11 -8.895 13.058 -5.351 1.00 0.00 C ATOM 157 O SER A 11 -7.900 12.954 -4.661 1.00 0.00 O ATOM 158 CB SER A 11 -11.130 13.222 -4.246 1.00 0.00 C ATOM 159 OG SER A 11 -12.333 12.527 -3.955 1.00 0.00 O ATOM 0 H SER A 11 -9.419 11.331 -3.267 1.00 0.00 H new ATOM 0 HA SER A 11 -10.658 11.966 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.661 13.560 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.346 14.111 -4.838 1.00 0.00 H new ATOM 0 HG SER A 11 -12.941 13.118 -3.464 1.00 0.00 H new ATOM 165 N ALA A 12 -8.908 13.821 -6.410 1.00 0.00 N ATOM 166 CA ALA A 12 -7.687 14.586 -6.792 1.00 0.00 C ATOM 167 C ALA A 12 -8.097 15.889 -7.482 1.00 0.00 C ATOM 168 O ALA A 12 -9.128 15.968 -8.120 1.00 0.00 O ATOM 169 CB ALA A 12 -6.839 13.746 -7.750 1.00 0.00 C ATOM 0 H ALA A 12 -9.711 13.948 -7.027 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.107 14.815 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.946 14.304 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.547 12.817 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.419 13.517 -8.644 1.00 0.00 H new ATOM 175 N VAL A 13 -7.298 16.913 -7.357 1.00 0.00 N ATOM 176 CA VAL A 13 -7.642 18.211 -8.003 1.00 0.00 C ATOM 177 C VAL A 13 -6.478 18.665 -8.887 1.00 0.00 C ATOM 178 O VAL A 13 -5.331 18.599 -8.493 1.00 0.00 O ATOM 179 CB VAL A 13 -7.897 19.261 -6.922 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.776 20.376 -7.492 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.607 18.609 -5.734 1.00 0.00 C ATOM 0 H VAL A 13 -6.422 16.907 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.536 18.089 -8.614 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.947 19.680 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.958 21.125 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.270 20.841 -8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.726 19.957 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.789 19.358 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.557 18.189 -6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.981 17.814 -5.328 1.00 0.00 H new ATOM 191 N GLN A 14 -6.755 19.125 -10.077 1.00 0.00 N ATOM 192 CA GLN A 14 -5.649 19.578 -10.967 1.00 0.00 C ATOM 193 C GLN A 14 -5.734 21.095 -11.158 1.00 0.00 C ATOM 194 O GLN A 14 -6.722 21.616 -11.636 1.00 0.00 O ATOM 195 CB GLN A 14 -5.768 18.882 -12.324 1.00 0.00 C ATOM 196 CG GLN A 14 -5.287 17.435 -12.199 1.00 0.00 C ATOM 197 CD GLN A 14 -5.570 16.689 -13.505 1.00 0.00 C ATOM 198 OE1 GLN A 14 -5.963 17.288 -14.487 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.385 15.399 -13.558 1.00 0.00 N ATOM 0 H GLN A 14 -7.693 19.206 -10.469 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.691 19.324 -10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.803 18.904 -12.667 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.174 19.411 -13.069 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.220 17.413 -11.979 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.794 16.942 -11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.055 14.897 -12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.570 14.892 -14.424 1.00 0.00 H new ATOM 208 N VAL A 15 -4.707 21.807 -10.781 1.00 0.00 N ATOM 209 CA VAL A 15 -4.729 23.290 -10.934 1.00 0.00 C ATOM 210 C VAL A 15 -3.469 23.753 -11.672 1.00 0.00 C ATOM 211 O VAL A 15 -2.383 23.263 -11.431 1.00 0.00 O ATOM 212 CB VAL A 15 -4.774 23.937 -9.549 1.00 0.00 C ATOM 213 CG1 VAL A 15 -5.262 25.380 -9.672 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.728 23.150 -8.649 1.00 0.00 C ATOM 0 H VAL A 15 -3.853 21.426 -10.373 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.609 23.583 -11.507 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.775 23.930 -9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.293 25.839 -8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.581 25.941 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.261 25.390 -10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.760 23.611 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.727 23.155 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.377 22.122 -8.558 1.00 0.00 H new ATOM 224 N THR A 16 -3.604 24.692 -12.570 1.00 0.00 N ATOM 225 CA THR A 16 -2.414 25.184 -13.324 1.00 0.00 C ATOM 226 C THR A 16 -2.518 26.700 -13.521 1.00 0.00 C ATOM 227 O THR A 16 -3.593 27.241 -13.686 1.00 0.00 O ATOM 228 CB THR A 16 -2.359 24.498 -14.691 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.497 24.875 -15.454 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.347 22.981 -14.504 1.00 0.00 C ATOM 0 H THR A 16 -4.487 25.140 -12.814 1.00 0.00 H new ATOM 0 HA THR A 16 -1.510 24.953 -12.761 1.00 0.00 H new ATOM 0 HB THR A 16 -1.453 24.803 -15.214 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.232 25.024 -16.386 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.308 22.495 -15.479 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.473 22.693 -13.920 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.252 22.672 -13.980 1.00 0.00 H new ATOM 238 N PHE A 17 -1.408 27.389 -13.504 1.00 0.00 N ATOM 239 CA PHE A 17 -1.445 28.869 -13.692 1.00 0.00 C ATOM 240 C PHE A 17 -0.689 29.248 -14.966 1.00 0.00 C ATOM 241 O PHE A 17 0.442 28.855 -15.166 1.00 0.00 O ATOM 242 CB PHE A 17 -0.775 29.557 -12.500 1.00 0.00 C ATOM 243 CG PHE A 17 -1.525 29.231 -11.233 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.215 28.069 -10.516 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.526 30.093 -10.772 1.00 0.00 C ATOM 246 CE1 PHE A 17 -1.907 27.770 -9.338 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.218 29.794 -9.593 1.00 0.00 C ATOM 248 CZ PHE A 17 -2.908 28.632 -8.876 1.00 0.00 C ATOM 0 H PHE A 17 -0.478 26.992 -13.368 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.484 29.189 -13.770 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.261 29.229 -12.415 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.756 30.636 -12.655 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.442 27.404 -10.872 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.765 30.989 -11.326 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.669 26.874 -8.785 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.991 30.459 -9.236 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.442 28.401 -7.966 1.00 0.00 H new ATOM 258 N THR A 18 -1.297 30.020 -15.824 1.00 0.00 N ATOM 259 CA THR A 18 -0.597 30.430 -17.075 1.00 0.00 C ATOM 260 C THR A 18 -0.664 31.953 -17.212 1.00 0.00 C ATOM 261 O THR A 18 -1.719 32.547 -17.124 1.00 0.00 O ATOM 262 CB THR A 18 -1.271 29.773 -18.282 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.323 28.367 -18.086 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.472 30.085 -19.549 1.00 0.00 C ATOM 0 H THR A 18 -2.244 30.383 -15.714 1.00 0.00 H new ATOM 0 HA THR A 18 0.445 30.112 -17.032 1.00 0.00 H new ATOM 0 HB THR A 18 -2.283 30.163 -18.390 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.756 27.945 -18.857 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.953 29.616 -20.407 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.434 31.164 -19.699 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.541 29.697 -19.445 1.00 0.00 H new ATOM 272 N VAL A 19 0.455 32.591 -17.427 1.00 0.00 N ATOM 273 CA VAL A 19 0.450 34.075 -17.567 1.00 0.00 C ATOM 274 C VAL A 19 -0.084 34.452 -18.950 1.00 0.00 C ATOM 275 O VAL A 19 0.231 33.817 -19.937 1.00 0.00 O ATOM 276 CB VAL A 19 1.876 34.608 -17.412 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.845 36.137 -17.349 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.489 34.057 -16.123 1.00 0.00 C ATOM 0 H VAL A 19 1.371 32.149 -17.512 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.187 34.510 -16.797 1.00 0.00 H new ATOM 0 HB VAL A 19 2.477 34.291 -18.265 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.861 36.517 -17.239 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.408 36.530 -18.267 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.244 36.454 -16.497 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.505 34.436 -16.012 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.888 34.373 -15.270 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.511 32.968 -16.167 1.00 0.00 H new ATOM 288 N GLN A 20 -0.890 35.475 -19.035 1.00 0.00 N ATOM 289 CA GLN A 20 -1.437 35.877 -20.360 1.00 0.00 C ATOM 290 C GLN A 20 -0.854 37.231 -20.770 1.00 0.00 C ATOM 291 O GLN A 20 -0.416 38.008 -19.945 1.00 0.00 O ATOM 292 CB GLN A 20 -2.961 35.985 -20.270 1.00 0.00 C ATOM 293 CG GLN A 20 -3.580 35.588 -21.612 1.00 0.00 C ATOM 294 CD GLN A 20 -4.160 34.177 -21.507 1.00 0.00 C ATOM 295 OE1 GLN A 20 -5.362 33.998 -21.541 1.00 0.00 O ATOM 296 NE2 GLN A 20 -3.352 33.160 -21.380 1.00 0.00 N ATOM 0 H GLN A 20 -1.192 36.047 -18.247 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.167 35.128 -21.104 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.336 35.337 -19.478 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.250 37.004 -20.011 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.363 36.295 -21.887 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.826 35.625 -22.398 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.344 33.310 -21.352 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.729 32.215 -21.309 1.00 0.00 H new ATOM 305 N LYS A 21 -0.850 37.516 -22.042 1.00 0.00 N ATOM 306 CA LYS A 21 -0.303 38.816 -22.523 1.00 0.00 C ATOM 307 C LYS A 21 -0.937 39.971 -21.743 1.00 0.00 C ATOM 308 O LYS A 21 -2.121 40.221 -21.850 1.00 0.00 O ATOM 309 CB LYS A 21 -0.635 38.974 -24.008 1.00 0.00 C ATOM 310 CG LYS A 21 0.239 38.023 -24.828 1.00 0.00 C ATOM 311 CD LYS A 21 0.093 38.346 -26.316 1.00 0.00 C ATOM 312 CE LYS A 21 0.946 37.376 -27.134 1.00 0.00 C ATOM 313 NZ LYS A 21 0.158 36.881 -28.298 1.00 0.00 N ATOM 0 H LYS A 21 -1.204 36.900 -22.774 1.00 0.00 H new ATOM 0 HA LYS A 21 0.777 38.832 -22.373 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.689 38.757 -24.181 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.465 40.004 -24.322 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.282 38.119 -24.525 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.054 36.990 -24.639 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.952 38.269 -26.615 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.405 39.373 -26.509 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.852 37.874 -27.480 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.261 36.538 -26.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.738 36.221 -28.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.694 36.391 -27.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.121 37.685 -28.895 1.00 0.00 H new ATOM 327 N GLY A 22 -0.165 40.686 -20.969 1.00 0.00 N ATOM 328 CA GLY A 22 -0.747 41.828 -20.207 1.00 0.00 C ATOM 329 C GLY A 22 -0.150 41.893 -18.797 1.00 0.00 C ATOM 330 O GLY A 22 -0.478 42.770 -18.022 1.00 0.00 O ATOM 0 H GLY A 22 0.834 40.531 -20.832 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.552 42.762 -20.734 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.830 41.717 -20.145 1.00 0.00 H new ATOM 334 N SER A 23 0.716 40.981 -18.450 1.00 0.00 N ATOM 335 CA SER A 23 1.310 41.020 -17.083 1.00 0.00 C ATOM 336 C SER A 23 2.053 42.346 -16.895 1.00 0.00 C ATOM 337 O SER A 23 2.693 42.842 -17.801 1.00 0.00 O ATOM 338 CB SER A 23 2.282 39.852 -16.906 1.00 0.00 C ATOM 339 OG SER A 23 3.124 40.101 -15.791 1.00 0.00 O ATOM 0 H SER A 23 1.036 40.218 -19.046 1.00 0.00 H new ATOM 0 HA SER A 23 0.518 40.936 -16.339 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.729 38.924 -16.758 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.882 39.725 -17.807 1.00 0.00 H new ATOM 0 HG SER A 23 3.366 39.251 -15.368 1.00 0.00 H new ATOM 345 N ASP A 24 1.970 42.929 -15.729 1.00 0.00 N ATOM 346 CA ASP A 24 2.668 44.227 -15.494 1.00 0.00 C ATOM 347 C ASP A 24 3.358 44.201 -14.127 1.00 0.00 C ATOM 348 O ASP A 24 3.238 43.250 -13.380 1.00 0.00 O ATOM 349 CB ASP A 24 1.650 45.372 -15.528 1.00 0.00 C ATOM 350 CG ASP A 24 0.366 44.905 -16.219 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.210 43.931 -15.761 1.00 0.00 O ATOM 352 OD2 ASP A 24 -0.019 45.528 -17.194 1.00 0.00 O ATOM 0 H ASP A 24 1.451 42.564 -14.931 1.00 0.00 H new ATOM 0 HA ASP A 24 3.414 44.380 -16.274 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.428 45.703 -14.514 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.069 46.227 -16.058 1.00 0.00 H new ATOM 357 N PRO A 25 4.101 45.272 -13.798 1.00 0.00 N ATOM 358 CA PRO A 25 4.819 45.375 -12.521 1.00 0.00 C ATOM 359 C PRO A 25 3.861 45.593 -11.345 1.00 0.00 C ATOM 360 O PRO A 25 4.120 45.173 -10.234 1.00 0.00 O ATOM 361 CB PRO A 25 5.704 46.607 -12.705 1.00 0.00 C ATOM 362 CG PRO A 25 5.001 47.428 -13.734 1.00 0.00 C ATOM 363 CD PRO A 25 4.298 46.461 -14.646 1.00 0.00 C ATOM 0 HA PRO A 25 5.373 44.465 -12.290 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.818 47.156 -11.770 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.705 46.330 -13.036 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.289 48.108 -13.267 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.709 48.041 -14.291 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.349 46.862 -15.002 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.898 46.231 -15.527 1.00 0.00 H new ATOM 371 N LYS A 26 2.754 46.243 -11.583 1.00 0.00 N ATOM 372 CA LYS A 26 1.776 46.483 -10.484 1.00 0.00 C ATOM 373 C LYS A 26 0.462 45.775 -10.820 1.00 0.00 C ATOM 374 O LYS A 26 -0.520 45.892 -10.115 1.00 0.00 O ATOM 375 CB LYS A 26 1.527 47.986 -10.336 1.00 0.00 C ATOM 376 CG LYS A 26 2.857 48.705 -10.103 1.00 0.00 C ATOM 377 CD LYS A 26 2.618 50.216 -10.057 1.00 0.00 C ATOM 378 CE LYS A 26 3.962 50.947 -10.082 1.00 0.00 C ATOM 379 NZ LYS A 26 4.858 50.377 -9.036 1.00 0.00 N ATOM 0 H LYS A 26 2.485 46.619 -12.492 1.00 0.00 H new ATOM 0 HA LYS A 26 2.174 46.093 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.044 48.375 -11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.850 48.173 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.306 48.368 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.559 48.461 -10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.009 50.524 -10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.065 50.480 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.424 50.848 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.812 52.012 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.483 51.123 -8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.284 49.994 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.433 49.615 -9.449 1.00 0.00 H new ATOM 393 N LYS A 27 0.445 45.035 -11.894 1.00 0.00 N ATOM 394 CA LYS A 27 -0.792 44.306 -12.288 1.00 0.00 C ATOM 395 C LYS A 27 -0.397 42.942 -12.853 1.00 0.00 C ATOM 396 O LYS A 27 0.505 42.835 -13.660 1.00 0.00 O ATOM 397 CB LYS A 27 -1.539 45.107 -13.357 1.00 0.00 C ATOM 398 CG LYS A 27 -1.816 46.519 -12.836 1.00 0.00 C ATOM 399 CD LYS A 27 -2.549 47.324 -13.911 1.00 0.00 C ATOM 400 CE LYS A 27 -2.784 48.749 -13.408 1.00 0.00 C ATOM 401 NZ LYS A 27 -2.640 49.706 -14.542 1.00 0.00 N ATOM 0 H LYS A 27 1.240 44.904 -12.519 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.440 44.176 -11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.947 45.155 -14.271 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.476 44.611 -13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.418 46.472 -11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.880 47.011 -12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.963 47.343 -14.830 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.501 46.850 -14.150 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.779 48.833 -12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.070 48.991 -12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.800 50.675 -14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.682 49.632 -14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.338 49.479 -15.279 1.00 0.00 H new ATOM 415 N LEU A 28 -1.052 41.895 -12.434 1.00 0.00 N ATOM 416 CA LEU A 28 -0.688 40.547 -12.952 1.00 0.00 C ATOM 417 C LEU A 28 -1.928 39.839 -13.500 1.00 0.00 C ATOM 418 O LEU A 28 -2.971 39.808 -12.877 1.00 0.00 O ATOM 419 CB LEU A 28 -0.079 39.713 -11.823 1.00 0.00 C ATOM 420 CG LEU A 28 1.167 38.988 -12.338 1.00 0.00 C ATOM 421 CD1 LEU A 28 2.178 38.841 -11.198 1.00 0.00 C ATOM 422 CD2 LEU A 28 0.775 37.602 -12.853 1.00 0.00 C ATOM 0 H LEU A 28 -1.818 41.914 -11.761 1.00 0.00 H new ATOM 0 HA LEU A 28 0.039 40.661 -13.756 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.183 40.356 -10.982 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.808 38.990 -11.457 1.00 0.00 H new ATOM 0 HG LEU A 28 1.613 39.564 -13.149 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.066 38.325 -11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.458 39.828 -10.830 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.731 38.265 -10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.662 37.086 -13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.329 37.026 -12.043 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.054 37.706 -13.664 1.00 0.00 H new ATOM 434 N VAL A 29 -1.807 39.259 -14.661 1.00 0.00 N ATOM 435 CA VAL A 29 -2.954 38.532 -15.270 1.00 0.00 C ATOM 436 C VAL A 29 -2.523 37.091 -15.545 1.00 0.00 C ATOM 437 O VAL A 29 -1.534 36.850 -16.209 1.00 0.00 O ATOM 438 CB VAL A 29 -3.348 39.208 -16.585 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.771 38.793 -16.966 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.289 40.727 -16.416 1.00 0.00 C ATOM 0 H VAL A 29 -0.953 39.258 -15.219 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.808 38.545 -14.593 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.657 38.903 -17.371 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.052 39.274 -17.903 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.814 37.711 -17.087 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.462 39.098 -16.180 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.570 41.208 -17.353 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.979 41.033 -15.630 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.276 41.024 -16.145 1.00 0.00 H new ATOM 450 N LEU A 30 -3.243 36.130 -15.039 1.00 0.00 N ATOM 451 CA LEU A 30 -2.849 34.712 -15.276 1.00 0.00 C ATOM 452 C LEU A 30 -4.093 33.854 -15.505 1.00 0.00 C ATOM 453 O LEU A 30 -5.102 34.017 -14.849 1.00 0.00 O ATOM 454 CB LEU A 30 -2.102 34.169 -14.053 1.00 0.00 C ATOM 455 CG LEU A 30 -0.963 35.114 -13.666 1.00 0.00 C ATOM 456 CD1 LEU A 30 -1.087 35.475 -12.184 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.378 34.419 -13.909 1.00 0.00 C ATOM 0 H LEU A 30 -4.082 36.262 -14.475 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.206 34.673 -16.155 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.792 34.058 -13.216 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.704 33.178 -14.272 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.018 36.020 -14.269 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.277 36.148 -11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.044 35.966 -12.008 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.029 34.568 -11.582 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.191 35.091 -13.634 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.434 33.514 -13.303 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.466 34.156 -14.963 1.00 0.00 H new ATOM 469 N ASP A 31 -4.015 32.918 -16.410 1.00 0.00 N ATOM 470 CA ASP A 31 -5.178 32.024 -16.652 1.00 0.00 C ATOM 471 C ASP A 31 -5.088 30.869 -15.658 1.00 0.00 C ATOM 472 O ASP A 31 -4.023 30.336 -15.416 1.00 0.00 O ATOM 473 CB ASP A 31 -5.128 31.484 -18.083 1.00 0.00 C ATOM 474 CG ASP A 31 -6.404 30.692 -18.374 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.284 30.692 -17.528 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.481 30.100 -19.438 1.00 0.00 O ATOM 0 H ASP A 31 -3.197 32.735 -16.991 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.114 32.568 -16.522 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.029 32.307 -18.790 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.254 30.846 -18.212 1.00 0.00 H new ATOM 481 N ILE A 32 -6.179 30.481 -15.064 1.00 0.00 N ATOM 482 CA ILE A 32 -6.108 29.370 -14.077 1.00 0.00 C ATOM 483 C ILE A 32 -7.031 28.228 -14.490 1.00 0.00 C ATOM 484 O ILE A 32 -8.194 28.422 -14.784 1.00 0.00 O ATOM 485 CB ILE A 32 -6.523 29.884 -12.698 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.450 30.833 -12.165 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.689 28.703 -11.739 1.00 0.00 C ATOM 488 CD1 ILE A 32 -5.944 31.491 -10.875 1.00 0.00 C ATOM 0 H ILE A 32 -7.106 30.878 -15.216 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.084 29.000 -14.041 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.470 30.417 -12.779 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.527 30.285 -11.976 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.221 31.595 -12.910 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.985 29.071 -10.757 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.457 28.030 -12.121 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.744 28.166 -11.656 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.178 32.168 -10.495 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.856 32.053 -11.079 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.150 30.722 -10.130 1.00 0.00 H new ATOM 500 N LYS A 33 -6.519 27.030 -14.485 1.00 0.00 N ATOM 501 CA LYS A 33 -7.357 25.857 -14.844 1.00 0.00 C ATOM 502 C LYS A 33 -7.578 25.031 -13.579 1.00 0.00 C ATOM 503 O LYS A 33 -6.645 24.571 -12.953 1.00 0.00 O ATOM 504 CB LYS A 33 -6.651 25.012 -15.906 1.00 0.00 C ATOM 505 CG LYS A 33 -6.338 25.883 -17.125 1.00 0.00 C ATOM 506 CD LYS A 33 -5.657 25.033 -18.199 1.00 0.00 C ATOM 507 CE LYS A 33 -5.224 25.931 -19.360 1.00 0.00 C ATOM 508 NZ LYS A 33 -6.406 26.676 -19.880 1.00 0.00 N ATOM 0 H LYS A 33 -5.551 26.813 -14.246 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.313 26.187 -15.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.731 24.592 -15.500 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.283 24.173 -16.198 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.256 26.319 -17.519 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.690 26.711 -16.837 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.791 24.521 -17.778 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.340 24.263 -18.556 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.458 26.631 -19.026 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.782 25.329 -20.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.319 26.790 -20.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.274 26.146 -19.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.451 27.613 -19.431 1.00 0.00 H new ATOM 522 N TYR A 34 -8.808 24.855 -13.191 1.00 0.00 N ATOM 523 CA TYR A 34 -9.098 24.078 -11.957 1.00 0.00 C ATOM 524 C TYR A 34 -10.017 22.904 -12.296 1.00 0.00 C ATOM 525 O TYR A 34 -11.154 23.086 -12.684 1.00 0.00 O ATOM 526 CB TYR A 34 -9.780 24.998 -10.945 1.00 0.00 C ATOM 527 CG TYR A 34 -9.975 24.266 -9.639 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.897 24.104 -8.761 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.234 23.755 -9.304 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.078 23.429 -7.548 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.416 23.081 -8.091 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.337 22.918 -7.213 1.00 0.00 C ATOM 533 OH TYR A 34 -10.516 22.255 -6.016 1.00 0.00 O ATOM 0 H TYR A 34 -9.628 25.217 -13.677 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.172 23.690 -11.534 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.175 25.890 -10.785 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.743 25.331 -11.333 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.926 24.500 -9.019 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.065 23.881 -9.982 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.246 23.303 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.388 22.687 -7.832 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.754 22.433 -5.426 1.00 0.00 H new ATOM 543 N THR A 35 -9.533 21.700 -12.159 1.00 0.00 N ATOM 544 CA THR A 35 -10.382 20.518 -12.480 1.00 0.00 C ATOM 545 C THR A 35 -10.601 19.680 -11.219 1.00 0.00 C ATOM 546 O THR A 35 -9.671 19.157 -10.638 1.00 0.00 O ATOM 547 CB THR A 35 -9.689 19.666 -13.547 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.569 20.418 -14.746 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.515 18.407 -13.812 1.00 0.00 C ATOM 0 H THR A 35 -8.589 21.484 -11.839 1.00 0.00 H new ATOM 0 HA THR A 35 -11.346 20.859 -12.856 1.00 0.00 H new ATOM 0 HB THR A 35 -8.697 19.380 -13.197 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.124 19.875 -15.430 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.021 17.801 -14.572 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.606 17.831 -12.891 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.508 18.690 -14.163 1.00 0.00 H new ATOM 557 N ARG A 36 -11.828 19.547 -10.797 1.00 0.00 N ATOM 558 CA ARG A 36 -12.119 18.741 -9.578 1.00 0.00 C ATOM 559 C ARG A 36 -13.325 17.839 -9.847 1.00 0.00 C ATOM 560 O ARG A 36 -14.339 18.279 -10.353 1.00 0.00 O ATOM 561 CB ARG A 36 -12.431 19.677 -8.408 1.00 0.00 C ATOM 562 CG ARG A 36 -11.902 19.064 -7.110 1.00 0.00 C ATOM 563 CD ARG A 36 -12.450 19.846 -5.914 1.00 0.00 C ATOM 564 NE ARG A 36 -11.330 20.204 -4.999 1.00 0.00 N ATOM 565 CZ ARG A 36 -10.919 19.346 -4.105 1.00 0.00 C ATOM 566 NH1 ARG A 36 -11.256 18.090 -4.203 1.00 0.00 N ATOM 567 NH2 ARG A 36 -10.170 19.746 -3.113 1.00 0.00 N ATOM 0 H ARG A 36 -12.644 19.963 -11.245 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.252 18.129 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.973 20.652 -8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.506 19.839 -8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.201 18.018 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.812 19.085 -7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.956 20.748 -6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.190 19.248 -5.383 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.885 21.119 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.841 17.778 -4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.935 17.420 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.906 20.728 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.849 19.076 -2.414 1.00 0.00 H new ATOM 581 N PRO A 37 -13.207 16.548 -9.505 1.00 0.00 N ATOM 582 CA PRO A 37 -14.284 15.571 -9.713 1.00 0.00 C ATOM 583 C PRO A 37 -15.468 15.810 -8.771 1.00 0.00 C ATOM 584 O PRO A 37 -15.405 15.520 -7.593 1.00 0.00 O ATOM 585 CB PRO A 37 -13.620 14.234 -9.386 1.00 0.00 C ATOM 586 CG PRO A 37 -12.501 14.584 -8.464 1.00 0.00 C ATOM 587 CD PRO A 37 -12.014 15.941 -8.890 1.00 0.00 C ATOM 0 HA PRO A 37 -14.694 15.627 -10.721 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.323 13.548 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.252 13.743 -10.287 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.841 14.600 -7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.701 13.846 -8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.657 16.525 -8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.188 15.869 -9.598 1.00 0.00 H new ATOM 595 N GLY A 38 -16.550 16.330 -9.284 1.00 0.00 N ATOM 596 CA GLY A 38 -17.739 16.581 -8.420 1.00 0.00 C ATOM 597 C GLY A 38 -17.622 17.957 -7.763 1.00 0.00 C ATOM 598 O GLY A 38 -18.501 18.386 -7.042 1.00 0.00 O ATOM 0 H GLY A 38 -16.662 16.592 -10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.650 16.529 -9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.814 15.808 -7.655 1.00 0.00 H new ATOM 602 N ASP A 39 -16.545 18.654 -8.001 1.00 0.00 N ATOM 603 CA ASP A 39 -16.380 20.000 -7.384 1.00 0.00 C ATOM 604 C ASP A 39 -15.861 20.987 -8.432 1.00 0.00 C ATOM 605 O ASP A 39 -15.537 20.615 -9.542 1.00 0.00 O ATOM 606 CB ASP A 39 -15.381 19.911 -6.228 1.00 0.00 C ATOM 607 CG ASP A 39 -16.139 19.742 -4.910 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.004 20.559 -4.638 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.842 18.799 -4.196 1.00 0.00 O ATOM 0 H ASP A 39 -15.773 18.350 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.343 20.346 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.705 19.070 -6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.767 20.811 -6.194 1.00 0.00 H new ATOM 614 N SER A 40 -15.781 22.243 -8.087 1.00 0.00 N ATOM 615 CA SER A 40 -15.284 23.255 -9.062 1.00 0.00 C ATOM 616 C SER A 40 -14.679 24.438 -8.304 1.00 0.00 C ATOM 617 O SER A 40 -14.936 24.634 -7.133 1.00 0.00 O ATOM 618 CB SER A 40 -16.446 23.743 -9.927 1.00 0.00 C ATOM 619 OG SER A 40 -17.087 22.630 -10.532 1.00 0.00 O ATOM 0 H SER A 40 -16.038 22.612 -7.172 1.00 0.00 H new ATOM 0 HA SER A 40 -14.523 22.804 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.158 24.299 -9.317 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.081 24.426 -10.693 1.00 0.00 H new ATOM 0 HG SER A 40 -17.833 22.943 -11.085 1.00 0.00 H new ATOM 625 N LEU A 41 -13.875 25.228 -8.962 1.00 0.00 N ATOM 626 CA LEU A 41 -13.251 26.398 -8.279 1.00 0.00 C ATOM 627 C LEU A 41 -14.315 27.467 -8.020 1.00 0.00 C ATOM 628 O LEU A 41 -15.089 27.809 -8.892 1.00 0.00 O ATOM 629 CB LEU A 41 -12.156 26.980 -9.177 1.00 0.00 C ATOM 630 CG LEU A 41 -11.011 27.525 -8.321 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.176 28.495 -9.158 1.00 0.00 C ATOM 632 CD2 LEU A 41 -11.576 28.261 -7.105 1.00 0.00 C ATOM 0 H LEU A 41 -13.623 25.114 -9.944 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.819 26.079 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.782 26.211 -9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.568 27.776 -9.797 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.388 26.698 -7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.358 28.887 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.769 27.972 -10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.805 29.319 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.756 28.647 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.201 29.089 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.175 27.572 -6.509 1.00 0.00 H new ATOM 644 N ALA A 42 -14.359 28.001 -6.830 1.00 0.00 N ATOM 645 CA ALA A 42 -15.372 29.049 -6.523 1.00 0.00 C ATOM 646 C ALA A 42 -14.666 30.375 -6.246 1.00 0.00 C ATOM 647 O ALA A 42 -15.094 31.422 -6.690 1.00 0.00 O ATOM 648 CB ALA A 42 -16.175 28.641 -5.288 1.00 0.00 C ATOM 0 H ALA A 42 -13.738 27.757 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 42 -16.043 29.160 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.915 29.409 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.680 27.694 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.502 28.528 -4.438 1.00 0.00 H new ATOM 654 N GLU A 43 -13.590 30.341 -5.510 1.00 0.00 N ATOM 655 CA GLU A 43 -12.864 31.606 -5.203 1.00 0.00 C ATOM 656 C GLU A 43 -11.355 31.357 -5.198 1.00 0.00 C ATOM 657 O GLU A 43 -10.891 30.273 -4.905 1.00 0.00 O ATOM 658 CB GLU A 43 -13.296 32.123 -3.830 1.00 0.00 C ATOM 659 CG GLU A 43 -14.804 32.381 -3.832 1.00 0.00 C ATOM 660 CD GLU A 43 -15.214 33.017 -2.502 1.00 0.00 C ATOM 661 OE1 GLU A 43 -15.268 32.300 -1.516 1.00 0.00 O ATOM 662 OE2 GLU A 43 -15.467 34.210 -2.492 1.00 0.00 O ATOM 0 H GLU A 43 -13.183 29.496 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.103 32.346 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.042 31.395 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.760 33.041 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.070 33.039 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.344 31.446 -3.982 1.00 0.00 H new ATOM 669 N VAL A 44 -10.588 32.363 -5.520 1.00 0.00 N ATOM 670 CA VAL A 44 -9.106 32.208 -5.538 1.00 0.00 C ATOM 671 C VAL A 44 -8.467 33.471 -4.957 1.00 0.00 C ATOM 672 O VAL A 44 -8.880 34.573 -5.260 1.00 0.00 O ATOM 673 CB VAL A 44 -8.635 32.029 -6.983 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.113 31.875 -7.008 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.283 30.777 -7.578 1.00 0.00 C ATOM 0 H VAL A 44 -10.927 33.291 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.818 31.339 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.922 32.902 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.777 31.747 -8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.650 32.766 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.826 31.002 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.948 30.648 -8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.995 29.905 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.367 30.885 -7.560 1.00 0.00 H new ATOM 685 N GLU A 45 -7.462 33.337 -4.135 1.00 0.00 N ATOM 686 CA GLU A 45 -6.824 34.560 -3.571 1.00 0.00 C ATOM 687 C GLU A 45 -5.319 34.520 -3.842 1.00 0.00 C ATOM 688 O GLU A 45 -4.716 33.468 -3.918 1.00 0.00 O ATOM 689 CB GLU A 45 -7.088 34.648 -2.067 1.00 0.00 C ATOM 690 CG GLU A 45 -8.507 35.167 -1.829 1.00 0.00 C ATOM 691 CD GLU A 45 -8.765 35.277 -0.325 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.826 35.090 0.432 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.896 35.546 0.044 1.00 0.00 O ATOM 0 H GLU A 45 -7.060 32.449 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.252 35.441 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.966 33.667 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.363 35.312 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.634 36.141 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.233 34.494 -2.285 1.00 0.00 H new ATOM 700 N LEU A 46 -4.716 35.665 -4.010 1.00 0.00 N ATOM 701 CA LEU A 46 -3.257 35.708 -4.301 1.00 0.00 C ATOM 702 C LEU A 46 -2.529 36.522 -3.230 1.00 0.00 C ATOM 703 O LEU A 46 -2.902 37.638 -2.925 1.00 0.00 O ATOM 704 CB LEU A 46 -3.046 36.372 -5.663 1.00 0.00 C ATOM 705 CG LEU A 46 -1.558 36.656 -5.872 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.743 35.421 -5.487 1.00 0.00 C ATOM 707 CD2 LEU A 46 -1.306 36.990 -7.342 1.00 0.00 C ATOM 0 H LEU A 46 -5.174 36.575 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.860 34.693 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.417 35.723 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.615 37.300 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.259 37.499 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.318 35.624 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.922 35.179 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.042 34.579 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.246 37.193 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.606 36.146 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.887 37.870 -7.620 1.00 0.00 H new ATOM 719 N ARG A 47 -1.483 35.982 -2.668 1.00 0.00 N ATOM 720 CA ARG A 47 -0.724 36.734 -1.631 1.00 0.00 C ATOM 721 C ARG A 47 0.687 37.013 -2.155 1.00 0.00 C ATOM 722 O ARG A 47 1.352 36.138 -2.672 1.00 0.00 O ATOM 723 CB ARG A 47 -0.648 35.910 -0.344 1.00 0.00 C ATOM 724 CG ARG A 47 0.317 36.579 0.635 1.00 0.00 C ATOM 725 CD ARG A 47 0.394 35.754 1.921 1.00 0.00 C ATOM 726 NE ARG A 47 1.194 34.522 1.675 1.00 0.00 N ATOM 727 CZ ARG A 47 2.259 34.281 2.390 1.00 0.00 C ATOM 728 NH1 ARG A 47 2.152 33.653 3.529 1.00 0.00 N ATOM 729 NH2 ARG A 47 3.431 34.668 1.966 1.00 0.00 N ATOM 0 H ARG A 47 -1.121 35.053 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.229 37.676 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.638 35.826 0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.312 34.897 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.306 36.664 0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.020 37.591 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.850 36.343 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.609 35.488 2.256 1.00 0.00 H new ATOM 0 HE ARG A 47 0.909 33.866 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.236 33.350 3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.984 33.465 4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.515 35.159 1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.263 34.480 2.525 1.00 0.00 H new ATOM 743 N GLN A 48 1.141 38.231 -2.039 1.00 0.00 N ATOM 744 CA GLN A 48 2.501 38.575 -2.543 1.00 0.00 C ATOM 745 C GLN A 48 3.566 37.993 -1.614 1.00 0.00 C ATOM 746 O GLN A 48 3.328 37.761 -0.445 1.00 0.00 O ATOM 747 CB GLN A 48 2.652 40.095 -2.596 1.00 0.00 C ATOM 748 CG GLN A 48 1.441 40.703 -3.303 1.00 0.00 C ATOM 749 CD GLN A 48 1.738 42.160 -3.667 1.00 0.00 C ATOM 750 OE1 GLN A 48 2.330 42.883 -2.891 1.00 0.00 O ATOM 751 NE2 GLN A 48 1.348 42.623 -4.823 1.00 0.00 N ATOM 0 H GLN A 48 0.628 39.004 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 48 2.629 38.156 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.738 40.498 -1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.567 40.362 -3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.208 40.133 -4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.565 40.650 -2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.851 42.015 -5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.540 43.592 -5.075 1.00 0.00 H new ATOM 760 N HIS A 49 4.742 37.761 -2.128 1.00 0.00 N ATOM 761 CA HIS A 49 5.830 37.200 -1.280 1.00 0.00 C ATOM 762 C HIS A 49 6.240 38.235 -0.231 1.00 0.00 C ATOM 763 O HIS A 49 6.190 39.426 -0.465 1.00 0.00 O ATOM 764 CB HIS A 49 7.037 36.860 -2.154 1.00 0.00 C ATOM 765 CG HIS A 49 8.175 36.409 -1.281 1.00 0.00 C ATOM 766 ND1 HIS A 49 8.109 35.253 -0.518 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.415 36.947 -1.038 1.00 0.00 C ATOM 768 CE1 HIS A 49 9.276 35.134 0.141 1.00 0.00 C ATOM 769 NE2 HIS A 49 10.108 36.141 -0.140 1.00 0.00 N ATOM 0 H HIS A 49 4.997 37.936 -3.100 1.00 0.00 H new ATOM 0 HA HIS A 49 5.474 36.296 -0.785 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.776 36.075 -2.864 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.335 37.732 -2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.795 37.858 -1.477 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.511 34.323 0.815 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.049 36.287 0.225 1.00 0.00 H new ATOM 777 N GLY A 50 6.647 37.788 0.925 1.00 0.00 N ATOM 778 CA GLY A 50 7.062 38.743 1.991 1.00 0.00 C ATOM 779 C GLY A 50 5.836 39.492 2.519 1.00 0.00 C ATOM 780 O GLY A 50 5.943 40.350 3.373 1.00 0.00 O ATOM 0 H GLY A 50 6.710 36.802 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.550 38.206 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.790 39.451 1.595 1.00 0.00 H new ATOM 784 N SER A 51 4.671 39.175 2.023 1.00 0.00 N ATOM 785 CA SER A 51 3.445 39.871 2.503 1.00 0.00 C ATOM 786 C SER A 51 2.559 38.877 3.256 1.00 0.00 C ATOM 787 O SER A 51 2.587 37.689 3.000 1.00 0.00 O ATOM 788 CB SER A 51 2.677 40.435 1.306 1.00 0.00 C ATOM 789 OG SER A 51 1.560 41.180 1.769 1.00 0.00 O ATOM 0 H SER A 51 4.516 38.465 1.307 1.00 0.00 H new ATOM 0 HA SER A 51 3.726 40.686 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.330 41.071 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.344 39.624 0.659 1.00 0.00 H new ATOM 0 HG SER A 51 1.069 41.543 1.003 1.00 0.00 H new ATOM 795 N GLU A 52 1.773 39.351 4.182 1.00 0.00 N ATOM 796 CA GLU A 52 0.886 38.433 4.949 1.00 0.00 C ATOM 797 C GLU A 52 -0.574 38.810 4.694 1.00 0.00 C ATOM 798 O GLU A 52 -1.462 38.434 5.433 1.00 0.00 O ATOM 799 CB GLU A 52 1.193 38.555 6.442 1.00 0.00 C ATOM 800 CG GLU A 52 2.708 38.601 6.649 1.00 0.00 C ATOM 801 CD GLU A 52 3.015 39.063 8.075 1.00 0.00 C ATOM 802 OE1 GLU A 52 2.114 39.575 8.718 1.00 0.00 O ATOM 803 OE2 GLU A 52 4.147 38.896 8.500 1.00 0.00 O ATOM 0 H GLU A 52 1.707 40.335 4.441 1.00 0.00 H new ATOM 0 HA GLU A 52 1.058 37.406 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.732 39.456 6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.767 37.710 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.140 37.616 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.164 39.281 5.929 1.00 0.00 H new ATOM 810 N GLU A 53 -0.829 39.551 3.650 1.00 0.00 N ATOM 811 CA GLU A 53 -2.231 39.953 3.345 1.00 0.00 C ATOM 812 C GLU A 53 -2.655 39.347 2.005 1.00 0.00 C ATOM 813 O GLU A 53 -2.259 39.806 0.952 1.00 0.00 O ATOM 814 CB GLU A 53 -2.318 41.479 3.265 1.00 0.00 C ATOM 815 CG GLU A 53 -3.786 41.904 3.213 1.00 0.00 C ATOM 816 CD GLU A 53 -3.873 43.403 2.921 1.00 0.00 C ATOM 817 OE1 GLU A 53 -2.842 44.055 2.959 1.00 0.00 O ATOM 818 OE2 GLU A 53 -4.969 43.875 2.665 1.00 0.00 O ATOM 0 H GLU A 53 -0.127 39.895 2.995 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.892 39.592 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.829 41.928 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.793 41.838 2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.311 41.341 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.275 41.678 4.161 1.00 0.00 H new ATOM 825 N TRP A 54 -3.457 38.319 2.038 1.00 0.00 N ATOM 826 CA TRP A 54 -3.908 37.681 0.769 1.00 0.00 C ATOM 827 C TRP A 54 -4.800 38.652 -0.007 1.00 0.00 C ATOM 828 O TRP A 54 -5.681 39.282 0.545 1.00 0.00 O ATOM 829 CB TRP A 54 -4.695 36.410 1.090 1.00 0.00 C ATOM 830 CG TRP A 54 -3.743 35.301 1.403 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.129 35.118 2.595 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.287 34.223 0.537 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.324 33.996 2.514 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.387 33.410 1.265 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.563 33.877 -0.797 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.783 32.291 0.689 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.957 32.752 -1.380 1.00 0.00 C ATOM 838 CH2 TRP A 54 -2.069 31.961 -0.638 1.00 0.00 C ATOM 0 H TRP A 54 -3.820 37.892 2.890 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.038 37.428 0.163 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.358 36.584 1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.324 36.135 0.243 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.248 35.745 3.466 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.753 33.644 3.283 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.245 34.480 -1.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.100 31.685 1.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.176 32.495 -2.406 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.606 31.097 -1.092 1.00 0.00 H new ATOM 849 N GLU A 55 -4.577 38.775 -1.288 1.00 0.00 N ATOM 850 CA GLU A 55 -5.408 39.701 -2.108 1.00 0.00 C ATOM 851 C GLU A 55 -6.331 38.885 -3.015 1.00 0.00 C ATOM 852 O GLU A 55 -5.914 37.932 -3.643 1.00 0.00 O ATOM 853 CB GLU A 55 -4.495 40.577 -2.969 1.00 0.00 C ATOM 854 CG GLU A 55 -4.883 42.047 -2.795 1.00 0.00 C ATOM 855 CD GLU A 55 -4.390 42.851 -4.000 1.00 0.00 C ATOM 856 OE1 GLU A 55 -3.208 43.149 -4.044 1.00 0.00 O ATOM 857 OE2 GLU A 55 -5.202 43.154 -4.858 1.00 0.00 O ATOM 0 H GLU A 55 -3.853 38.273 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.006 40.333 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.454 40.428 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.580 40.289 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.965 42.140 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.448 42.443 -1.877 1.00 0.00 H new ATOM 864 N PRO A 56 -7.614 39.268 -3.078 1.00 0.00 N ATOM 865 CA PRO A 56 -8.608 38.573 -3.906 1.00 0.00 C ATOM 866 C PRO A 56 -8.370 38.804 -5.402 1.00 0.00 C ATOM 867 O PRO A 56 -7.966 39.872 -5.817 1.00 0.00 O ATOM 868 CB PRO A 56 -9.932 39.211 -3.485 1.00 0.00 C ATOM 869 CG PRO A 56 -9.555 40.560 -2.972 1.00 0.00 C ATOM 870 CD PRO A 56 -8.196 40.409 -2.349 1.00 0.00 C ATOM 0 HA PRO A 56 -8.573 37.493 -3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.621 39.285 -4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.430 38.620 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.533 41.291 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.281 40.915 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.596 41.311 -2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.264 40.211 -1.279 1.00 0.00 H new ATOM 878 N LEU A 57 -8.626 37.816 -6.215 1.00 0.00 N ATOM 879 CA LEU A 57 -8.424 37.985 -7.682 1.00 0.00 C ATOM 880 C LEU A 57 -9.787 38.165 -8.350 1.00 0.00 C ATOM 881 O LEU A 57 -10.777 37.623 -7.902 1.00 0.00 O ATOM 882 CB LEU A 57 -7.747 36.737 -8.253 1.00 0.00 C ATOM 883 CG LEU A 57 -6.290 36.687 -7.796 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.236 36.505 -6.279 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.583 35.513 -8.477 1.00 0.00 C ATOM 0 H LEU A 57 -8.966 36.899 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.796 38.856 -7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.273 35.842 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.796 36.751 -9.342 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.792 37.618 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.196 36.469 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.740 37.341 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.734 35.574 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.543 35.476 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.081 34.582 -8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.620 35.644 -9.559 1.00 0.00 H new ATOM 897 N THR A 58 -9.858 38.913 -9.418 1.00 0.00 N ATOM 898 CA THR A 58 -11.176 39.095 -10.086 1.00 0.00 C ATOM 899 C THR A 58 -11.277 38.120 -11.258 1.00 0.00 C ATOM 900 O THR A 58 -10.420 38.082 -12.119 1.00 0.00 O ATOM 901 CB THR A 58 -11.311 40.532 -10.595 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.130 41.436 -9.514 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.700 40.731 -11.204 1.00 0.00 C ATOM 0 H THR A 58 -9.072 39.399 -9.851 1.00 0.00 H new ATOM 0 HA THR A 58 -11.977 38.899 -9.373 1.00 0.00 H new ATOM 0 HB THR A 58 -10.553 40.721 -11.356 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.215 42.356 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.795 41.755 -11.566 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.836 40.038 -12.034 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.460 40.542 -10.446 1.00 0.00 H new ATOM 911 N LYS A 59 -12.310 37.326 -11.297 1.00 0.00 N ATOM 912 CA LYS A 59 -12.449 36.354 -12.415 1.00 0.00 C ATOM 913 C LYS A 59 -12.779 37.110 -13.703 1.00 0.00 C ATOM 914 O LYS A 59 -13.848 37.670 -13.844 1.00 0.00 O ATOM 915 CB LYS A 59 -13.572 35.368 -12.096 1.00 0.00 C ATOM 916 CG LYS A 59 -13.356 34.083 -12.894 1.00 0.00 C ATOM 917 CD LYS A 59 -14.159 32.946 -12.261 1.00 0.00 C ATOM 918 CE LYS A 59 -13.691 31.610 -12.841 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.730 31.080 -13.768 1.00 0.00 N ATOM 0 H LYS A 59 -13.060 37.308 -10.606 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.515 35.807 -12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.587 35.149 -11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.538 35.806 -12.345 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.666 34.229 -13.929 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.296 33.828 -12.912 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.027 32.951 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.223 33.086 -12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.748 31.742 -13.372 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.507 30.897 -12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.412 30.172 -14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.620 30.939 -13.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.884 31.758 -14.541 1.00 0.00 H new ATOM 933 N LYS A 60 -11.875 37.139 -14.643 1.00 0.00 N ATOM 934 CA LYS A 60 -12.154 37.868 -15.911 1.00 0.00 C ATOM 935 C LYS A 60 -12.330 36.861 -17.050 1.00 0.00 C ATOM 936 O LYS A 60 -11.377 36.280 -17.529 1.00 0.00 O ATOM 937 CB LYS A 60 -10.986 38.805 -16.227 1.00 0.00 C ATOM 938 CG LYS A 60 -10.879 39.871 -15.136 1.00 0.00 C ATOM 939 CD LYS A 60 -10.676 41.243 -15.782 1.00 0.00 C ATOM 940 CE LYS A 60 -10.850 42.336 -14.726 1.00 0.00 C ATOM 941 NZ LYS A 60 -10.532 43.663 -15.326 1.00 0.00 N ATOM 0 H LYS A 60 -10.960 36.692 -14.588 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.067 38.453 -15.803 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.057 38.238 -16.289 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.137 39.277 -17.198 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.782 39.874 -14.526 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.046 39.644 -14.471 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.682 41.305 -16.224 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.393 41.386 -16.590 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.872 42.332 -14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.195 42.143 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.650 44.406 -14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.549 43.664 -15.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.174 43.846 -16.123 1.00 0.00 H new ATOM 955 N GLY A 61 -13.541 36.648 -17.485 1.00 0.00 N ATOM 956 CA GLY A 61 -13.774 35.676 -18.590 1.00 0.00 C ATOM 957 C GLY A 61 -13.419 34.267 -18.110 1.00 0.00 C ATOM 958 O GLY A 61 -14.215 33.595 -17.485 1.00 0.00 O ATOM 0 H GLY A 61 -14.379 37.104 -17.124 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.816 35.712 -18.907 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.168 35.941 -19.456 1.00 0.00 H new ATOM 962 N ASN A 62 -12.228 33.816 -18.394 1.00 0.00 N ATOM 963 CA ASN A 62 -11.821 32.453 -17.951 1.00 0.00 C ATOM 964 C ASN A 62 -10.454 32.526 -17.270 1.00 0.00 C ATOM 965 O ASN A 62 -9.766 31.535 -17.128 1.00 0.00 O ATOM 966 CB ASN A 62 -11.738 31.524 -19.165 1.00 0.00 C ATOM 967 CG ASN A 62 -13.099 30.864 -19.395 1.00 0.00 C ATOM 968 OD1 ASN A 62 -13.808 31.213 -20.318 1.00 0.00 O ATOM 969 ND2 ASN A 62 -13.496 29.917 -18.590 1.00 0.00 N ATOM 0 H ASN A 62 -11.519 34.333 -18.914 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.557 32.065 -17.247 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.441 32.089 -20.049 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.975 30.763 -19.002 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.401 29.470 -18.736 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.901 29.624 -17.815 1.00 0.00 H new ATOM 976 N VAL A 63 -10.055 33.694 -16.846 1.00 0.00 N ATOM 977 CA VAL A 63 -8.733 33.832 -16.174 1.00 0.00 C ATOM 978 C VAL A 63 -8.897 34.648 -14.891 1.00 0.00 C ATOM 979 O VAL A 63 -9.971 35.126 -14.583 1.00 0.00 O ATOM 980 CB VAL A 63 -7.760 34.551 -17.110 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.462 33.661 -18.319 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.385 35.864 -17.585 1.00 0.00 C ATOM 0 H VAL A 63 -10.588 34.559 -16.936 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.344 32.843 -15.931 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.833 34.762 -16.577 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.769 34.173 -18.986 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.016 32.726 -17.981 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.389 33.449 -18.852 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.692 36.377 -18.252 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.313 35.654 -18.118 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.597 36.499 -16.724 1.00 0.00 H new ATOM 992 N TRP A 64 -7.841 34.824 -14.145 1.00 0.00 N ATOM 993 CA TRP A 64 -7.941 35.622 -12.891 1.00 0.00 C ATOM 994 C TRP A 64 -6.945 36.782 -12.959 1.00 0.00 C ATOM 995 O TRP A 64 -5.855 36.644 -13.477 1.00 0.00 O ATOM 996 CB TRP A 64 -7.623 34.733 -11.686 1.00 0.00 C ATOM 997 CG TRP A 64 -8.705 33.713 -11.525 1.00 0.00 C ATOM 998 CD1 TRP A 64 -8.813 32.576 -12.249 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.831 33.718 -10.599 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -9.934 31.883 -11.828 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.594 32.546 -10.813 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.261 34.617 -9.605 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.742 32.274 -10.068 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.416 34.346 -8.853 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.155 33.177 -9.084 1.00 0.00 C ATOM 0 H TRP A 64 -6.914 34.450 -14.350 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.952 36.014 -12.783 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.661 34.240 -11.827 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.542 35.339 -10.784 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.135 32.261 -13.028 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.236 30.991 -12.220 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.699 35.521 -9.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.308 31.372 -10.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.737 35.042 -8.092 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.042 32.974 -8.502 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.312 37.926 -12.450 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.383 39.091 -12.500 1.00 0.00 C ATOM 1018 C GLU A 65 -6.260 39.716 -11.109 1.00 0.00 C ATOM 1019 O GLU A 65 -7.207 39.758 -10.348 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.931 40.133 -13.477 1.00 0.00 C ATOM 1021 CG GLU A 65 -5.935 41.286 -13.607 1.00 0.00 C ATOM 1022 CD GLU A 65 -6.458 42.299 -14.629 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.653 42.301 -14.873 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -5.654 43.055 -15.149 1.00 0.00 O ATOM 0 H GLU A 65 -8.211 38.105 -12.003 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.401 38.755 -12.832 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.104 39.677 -14.452 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.892 40.507 -13.125 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.793 41.769 -12.640 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.962 40.907 -13.920 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.099 40.210 -10.776 1.00 0.00 N ATOM 1032 CA VAL A 66 -4.908 40.842 -9.440 1.00 0.00 C ATOM 1033 C VAL A 66 -4.085 42.120 -9.606 1.00 0.00 C ATOM 1034 O VAL A 66 -3.084 42.138 -10.294 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.169 39.874 -8.512 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.891 39.383 -9.195 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -3.808 40.589 -7.208 1.00 0.00 C ATOM 0 H VAL A 66 -4.272 40.203 -11.373 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.879 41.082 -9.006 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.813 39.022 -8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.366 38.694 -8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.148 38.871 -10.122 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.247 40.234 -9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.282 39.899 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.166 41.442 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.718 40.936 -6.719 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.498 43.190 -8.985 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.734 44.462 -9.116 1.00 0.00 C ATOM 1049 C LYS A 67 -3.282 44.933 -7.732 1.00 0.00 C ATOM 1050 O LYS A 67 -4.045 44.948 -6.787 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.622 45.529 -9.759 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.026 45.073 -11.163 1.00 0.00 C ATOM 1053 CD LYS A 67 -5.717 46.224 -11.896 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.366 45.695 -13.177 1.00 0.00 C ATOM 1055 NZ LYS A 67 -6.533 46.812 -14.148 1.00 0.00 N ATOM 0 H LYS A 67 -5.328 43.239 -8.395 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.858 44.296 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.510 45.695 -9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.089 46.478 -9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.146 44.750 -11.719 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.695 44.215 -11.099 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.472 46.678 -11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.993 47.003 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.748 44.910 -13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.334 45.249 -12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.190 46.523 -14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.915 47.645 -13.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.611 47.049 -14.566 1.00 0.00 H new ATOM 1069 N SER A 68 -2.040 45.313 -7.610 1.00 0.00 N ATOM 1070 CA SER A 68 -1.521 45.781 -6.296 1.00 0.00 C ATOM 1071 C SER A 68 -1.070 47.237 -6.416 1.00 0.00 C ATOM 1072 O SER A 68 -0.879 47.749 -7.502 1.00 0.00 O ATOM 1073 CB SER A 68 -0.326 44.917 -5.890 1.00 0.00 C ATOM 1074 OG SER A 68 0.322 45.501 -4.769 1.00 0.00 O ATOM 0 H SER A 68 -1.359 45.319 -8.369 1.00 0.00 H new ATOM 0 HA SER A 68 -2.307 45.702 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.659 43.908 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.372 44.829 -6.722 1.00 0.00 H new ATOM 0 HG SER A 68 0.307 44.872 -4.018 1.00 0.00 H new ATOM 1080 N SER A 69 -0.891 47.908 -5.312 1.00 0.00 N ATOM 1081 CA SER A 69 -0.444 49.327 -5.372 1.00 0.00 C ATOM 1082 C SER A 69 1.085 49.370 -5.425 1.00 0.00 C ATOM 1083 O SER A 69 1.683 50.415 -5.588 1.00 0.00 O ATOM 1084 CB SER A 69 -0.935 50.071 -4.128 1.00 0.00 C ATOM 1085 OG SER A 69 -2.354 50.052 -4.094 1.00 0.00 O ATOM 0 H SER A 69 -1.035 47.536 -4.373 1.00 0.00 H new ATOM 0 HA SER A 69 -0.855 49.804 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.533 49.603 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.575 51.100 -4.141 1.00 0.00 H new ATOM 0 HG SER A 69 -2.668 50.527 -3.297 1.00 0.00 H new ATOM 1091 N LYS A 70 1.720 48.237 -5.290 1.00 0.00 N ATOM 1092 CA LYS A 70 3.208 48.201 -5.334 1.00 0.00 C ATOM 1093 C LYS A 70 3.655 47.084 -6.281 1.00 0.00 C ATOM 1094 O LYS A 70 2.842 46.373 -6.836 1.00 0.00 O ATOM 1095 CB LYS A 70 3.749 47.928 -3.928 1.00 0.00 C ATOM 1096 CG LYS A 70 4.518 49.154 -3.430 1.00 0.00 C ATOM 1097 CD LYS A 70 5.694 48.701 -2.563 1.00 0.00 C ATOM 1098 CE LYS A 70 5.339 48.885 -1.086 1.00 0.00 C ATOM 1099 NZ LYS A 70 6.518 48.536 -0.244 1.00 0.00 N ATOM 0 H LYS A 70 1.270 47.332 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 70 3.591 49.157 -5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.928 47.700 -3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.403 47.056 -3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.880 49.738 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.857 49.802 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.927 47.655 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.585 49.279 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.038 49.916 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.491 48.252 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.277 48.661 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.786 47.546 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.315 49.157 -0.488 1.00 0.00 H new ATOM 1113 N PRO A 71 4.975 46.927 -6.468 1.00 0.00 N ATOM 1114 CA PRO A 71 5.527 45.891 -7.351 1.00 0.00 C ATOM 1115 C PRO A 71 5.314 44.488 -6.775 1.00 0.00 C ATOM 1116 O PRO A 71 5.448 44.266 -5.588 1.00 0.00 O ATOM 1117 CB PRO A 71 7.018 46.222 -7.403 1.00 0.00 C ATOM 1118 CG PRO A 71 7.282 46.963 -6.136 1.00 0.00 C ATOM 1119 CD PRO A 71 6.031 47.740 -5.838 1.00 0.00 C ATOM 0 HA PRO A 71 5.049 45.885 -8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.623 45.318 -7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.259 46.829 -8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.516 46.275 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.138 47.629 -6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.870 47.849 -4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.071 48.745 -6.258 1.00 0.00 H new ATOM 1127 N LEU A 72 4.975 43.541 -7.607 1.00 0.00 N ATOM 1128 CA LEU A 72 4.745 42.155 -7.107 1.00 0.00 C ATOM 1129 C LEU A 72 6.083 41.482 -6.803 1.00 0.00 C ATOM 1130 O LEU A 72 7.052 41.645 -7.518 1.00 0.00 O ATOM 1131 CB LEU A 72 3.997 41.349 -8.171 1.00 0.00 C ATOM 1132 CG LEU A 72 2.671 42.040 -8.495 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.384 41.915 -9.992 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.543 41.376 -7.701 1.00 0.00 C ATOM 0 H LEU A 72 4.847 43.667 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 72 4.151 42.196 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.605 41.264 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.814 40.336 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 72 2.734 43.094 -8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.439 42.407 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.187 42.387 -10.557 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.320 40.861 -10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.598 41.868 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.479 40.322 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.748 41.465 -6.634 1.00 0.00 H new ATOM 1146 N VAL A 73 6.138 40.721 -5.744 1.00 0.00 N ATOM 1147 CA VAL A 73 7.405 40.028 -5.382 1.00 0.00 C ATOM 1148 C VAL A 73 7.143 38.523 -5.280 1.00 0.00 C ATOM 1149 O VAL A 73 6.277 38.082 -4.551 1.00 0.00 O ATOM 1150 CB VAL A 73 7.904 40.551 -4.034 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.258 39.917 -3.710 1.00 0.00 C ATOM 1152 CG2 VAL A 73 8.058 42.072 -4.103 1.00 0.00 C ATOM 0 H VAL A 73 5.356 40.549 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 73 8.159 40.218 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 73 7.186 40.292 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.614 40.290 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.150 38.833 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.976 40.176 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.414 42.446 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.776 42.330 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.094 42.525 -4.334 1.00 0.00 H new ATOM 1162 N GLY A 74 7.885 37.733 -6.005 1.00 0.00 N ATOM 1163 CA GLY A 74 7.679 36.257 -5.948 1.00 0.00 C ATOM 1164 C GLY A 74 8.629 35.648 -4.915 1.00 0.00 C ATOM 1165 O GLY A 74 9.518 36.307 -4.414 1.00 0.00 O ATOM 0 H GLY A 74 8.625 38.044 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.646 36.033 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.860 35.816 -6.928 1.00 0.00 H new ATOM 1169 N PRO A 75 8.434 34.360 -4.593 1.00 0.00 N ATOM 1170 CA PRO A 75 7.367 33.543 -5.187 1.00 0.00 C ATOM 1171 C PRO A 75 5.980 33.981 -4.707 1.00 0.00 C ATOM 1172 O PRO A 75 5.807 34.444 -3.598 1.00 0.00 O ATOM 1173 CB PRO A 75 7.679 32.132 -4.695 1.00 0.00 C ATOM 1174 CG PRO A 75 8.453 32.333 -3.436 1.00 0.00 C ATOM 1175 CD PRO A 75 9.241 33.599 -3.624 1.00 0.00 C ATOM 0 HA PRO A 75 7.341 33.629 -6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.766 31.565 -4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.258 31.575 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.786 32.414 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.114 31.488 -3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.360 34.141 -2.686 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.242 33.397 -4.005 1.00 0.00 H new ATOM 1183 N PHE A 76 4.993 33.848 -5.552 1.00 0.00 N ATOM 1184 CA PHE A 76 3.613 34.267 -5.177 1.00 0.00 C ATOM 1185 C PHE A 76 2.839 33.093 -4.575 1.00 0.00 C ATOM 1186 O PHE A 76 3.073 31.945 -4.903 1.00 0.00 O ATOM 1187 CB PHE A 76 2.889 34.749 -6.434 1.00 0.00 C ATOM 1188 CG PHE A 76 3.627 35.932 -7.013 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.595 37.167 -6.353 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.345 35.795 -8.206 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.282 38.263 -6.887 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.031 36.891 -8.741 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.000 38.126 -8.081 1.00 0.00 C ATOM 0 H PHE A 76 5.085 33.464 -6.493 1.00 0.00 H new ATOM 0 HA PHE A 76 3.671 35.065 -4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.836 33.945 -7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.864 35.028 -6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.040 37.273 -5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.370 34.842 -8.714 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.258 39.215 -6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.584 36.785 -9.662 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.530 38.972 -8.493 1.00 0.00 H new ATOM 1203 N ASN A 77 1.903 33.377 -3.710 1.00 0.00 N ATOM 1204 CA ASN A 77 1.091 32.287 -3.096 1.00 0.00 C ATOM 1205 C ASN A 77 -0.349 32.400 -3.604 1.00 0.00 C ATOM 1206 O ASN A 77 -0.861 33.484 -3.798 1.00 0.00 O ATOM 1207 CB ASN A 77 1.110 32.429 -1.573 1.00 0.00 C ATOM 1208 CG ASN A 77 2.558 32.529 -1.089 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.251 31.536 -0.998 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.046 33.697 -0.771 1.00 0.00 N ATOM 0 H ASN A 77 1.665 34.320 -3.401 1.00 0.00 H new ATOM 0 HA ASN A 77 1.506 31.317 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.553 33.316 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.619 31.573 -1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.010 33.776 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.464 34.531 -0.848 1.00 0.00 H new ATOM 1217 N PHE A 78 -1.009 31.296 -3.828 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.413 31.361 -4.330 1.00 0.00 C ATOM 1219 C PHE A 78 -3.286 30.353 -3.575 1.00 0.00 C ATOM 1220 O PHE A 78 -2.944 29.193 -3.457 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.435 31.015 -5.821 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.626 32.026 -6.600 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.251 31.832 -6.782 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.252 33.152 -7.147 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.498 32.765 -7.510 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.504 34.084 -7.877 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.129 33.891 -8.059 1.00 0.00 C ATOM 0 H PHE A 78 -0.640 30.356 -3.686 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.800 32.368 -4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.029 30.015 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.463 31.002 -6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.232 30.963 -6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.312 33.302 -7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.559 32.616 -7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.988 34.952 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.448 34.610 -8.622 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.420 30.776 -3.079 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.312 29.823 -2.355 1.00 0.00 C ATOM 1239 C ARG A 79 -6.560 29.578 -3.207 1.00 0.00 C ATOM 1240 O ARG A 79 -7.061 30.472 -3.859 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.707 30.402 -0.994 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.451 29.341 -0.182 1.00 0.00 C ATOM 1243 CD ARG A 79 -7.034 29.981 1.079 1.00 0.00 C ATOM 1244 NE ARG A 79 -7.862 31.161 0.699 1.00 0.00 N ATOM 1245 CZ ARG A 79 -8.356 31.937 1.625 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -9.507 31.650 2.171 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -7.700 32.999 2.005 1.00 0.00 N ATOM 0 H ARG A 79 -4.765 31.734 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.789 28.881 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.818 30.730 -0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.339 31.280 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.248 28.901 -0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.772 28.532 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.642 29.256 1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.231 30.287 1.749 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.042 31.362 -0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.020 30.820 1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.893 32.256 2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.801 33.223 1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.086 33.605 2.729 1.00 0.00 H new ATOM 1261 N PHE A 80 -7.047 28.366 -3.234 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.240 28.061 -4.077 1.00 0.00 C ATOM 1263 C PHE A 80 -9.391 27.524 -3.225 1.00 0.00 C ATOM 1264 O PHE A 80 -9.193 26.769 -2.297 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.864 26.990 -5.097 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.211 27.627 -6.300 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -6.116 28.482 -6.132 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.698 27.357 -7.584 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.507 29.067 -7.248 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.089 27.942 -8.700 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.993 28.797 -8.532 1.00 0.00 C ATOM 0 H PHE A 80 -6.671 27.576 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.558 28.981 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.185 26.268 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.754 26.441 -5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.741 28.690 -5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.543 26.698 -7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.662 29.727 -7.118 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.464 27.734 -9.691 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.523 29.248 -9.393 1.00 0.00 H new ATOM 1281 N MET A 81 -10.599 27.892 -3.555 1.00 0.00 N ATOM 1282 CA MET A 81 -11.772 27.385 -2.788 1.00 0.00 C ATOM 1283 C MET A 81 -12.776 26.790 -3.777 1.00 0.00 C ATOM 1284 O MET A 81 -13.176 27.429 -4.730 1.00 0.00 O ATOM 1285 CB MET A 81 -12.418 28.527 -1.999 1.00 0.00 C ATOM 1286 CG MET A 81 -13.809 28.099 -1.528 1.00 0.00 C ATOM 1287 SD MET A 81 -14.190 28.913 0.043 1.00 0.00 S ATOM 1288 CE MET A 81 -14.508 27.412 1.004 1.00 0.00 C ATOM 0 H MET A 81 -10.824 28.523 -4.324 1.00 0.00 H new ATOM 0 HA MET A 81 -11.453 26.620 -2.080 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.797 28.788 -1.142 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.492 29.418 -2.623 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.556 28.363 -2.277 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.847 27.016 -1.408 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.131 27.543 2.018 1.00 0.00 H new ATOM 0 HE2 MET A 81 -15.581 27.222 1.038 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.004 26.566 0.535 1.00 0.00 H new ATOM 1298 N SER A 82 -13.163 25.558 -3.576 1.00 0.00 N ATOM 1299 CA SER A 82 -14.110 24.913 -4.526 1.00 0.00 C ATOM 1300 C SER A 82 -15.539 25.396 -4.266 1.00 0.00 C ATOM 1301 O SER A 82 -15.936 25.609 -3.135 1.00 0.00 O ATOM 1302 CB SER A 82 -14.057 23.397 -4.342 1.00 0.00 C ATOM 1303 OG SER A 82 -14.873 23.029 -3.241 1.00 0.00 O ATOM 0 H SER A 82 -12.864 24.973 -2.796 1.00 0.00 H new ATOM 0 HA SER A 82 -13.822 25.179 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.401 22.897 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.030 23.076 -4.171 1.00 0.00 H new ATOM 0 HG SER A 82 -15.588 22.433 -3.548 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.317 25.543 -5.302 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.729 25.989 -5.117 1.00 0.00 C ATOM 1311 C LYS A 83 -18.361 25.184 -3.978 1.00 0.00 C ATOM 1312 O LYS A 83 -19.048 25.720 -3.131 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.518 25.755 -6.407 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.932 26.613 -7.530 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.825 26.510 -8.768 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.282 27.427 -9.866 1.00 0.00 C ATOM 1317 NZ LYS A 83 -19.051 28.703 -9.872 1.00 0.00 N ATOM 0 H LYS A 83 -16.038 25.374 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.748 27.051 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.479 24.701 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.568 26.006 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.857 27.652 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.922 26.279 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.856 25.480 -9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.847 26.792 -8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.224 27.628 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.362 26.937 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.683 29.327 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.055 28.502 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.953 29.172 -8.949 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.133 23.898 -3.955 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.717 23.045 -2.877 1.00 0.00 C ATOM 1333 C GLY A 84 -18.279 23.559 -1.500 1.00 0.00 C ATOM 1334 O GLY A 84 -18.694 23.047 -0.478 1.00 0.00 O ATOM 0 H GLY A 84 -17.565 23.399 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.805 23.052 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.396 22.012 -3.007 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.456 24.571 -1.460 1.00 0.00 N ATOM 1339 CA GLY A 85 -17.010 25.116 -0.147 1.00 0.00 C ATOM 1340 C GLY A 85 -15.697 24.454 0.272 1.00 0.00 C ATOM 1341 O GLY A 85 -15.353 24.424 1.437 1.00 0.00 O ATOM 0 H GLY A 85 -17.074 25.043 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.877 26.196 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.775 24.938 0.609 1.00 0.00 H new ATOM 1345 N MET A 86 -14.953 23.934 -0.664 1.00 0.00 N ATOM 1346 CA MET A 86 -13.656 23.290 -0.303 1.00 0.00 C ATOM 1347 C MET A 86 -12.535 24.306 -0.505 1.00 0.00 C ATOM 1348 O MET A 86 -12.605 25.146 -1.375 1.00 0.00 O ATOM 1349 CB MET A 86 -13.412 22.070 -1.194 1.00 0.00 C ATOM 1350 CG MET A 86 -14.620 21.134 -1.123 1.00 0.00 C ATOM 1351 SD MET A 86 -14.130 19.573 -0.348 1.00 0.00 S ATOM 1352 CE MET A 86 -13.610 18.725 -1.860 1.00 0.00 C ATOM 0 H MET A 86 -15.183 23.926 -1.658 1.00 0.00 H new ATOM 0 HA MET A 86 -13.683 22.964 0.737 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.244 22.386 -2.223 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.513 21.545 -0.871 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.422 21.601 -0.551 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.009 20.949 -2.124 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.409 18.067 -2.202 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.391 19.461 -2.633 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.716 18.135 -1.657 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.511 24.262 0.300 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.415 25.257 0.139 1.00 0.00 C ATOM 1364 C ARG A 87 -9.071 24.550 -0.043 1.00 0.00 C ATOM 1365 O ARG A 87 -8.783 23.556 0.594 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.355 26.147 1.382 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.654 26.948 1.497 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.398 28.225 2.301 1.00 0.00 C ATOM 1369 NE ARG A 87 -10.854 27.868 3.641 1.00 0.00 N ATOM 1370 CZ ARG A 87 -10.379 28.799 4.421 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -9.457 29.611 3.981 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -10.826 28.920 5.641 1.00 0.00 N ATOM 0 H ARG A 87 -11.386 23.588 1.055 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.616 25.862 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.211 25.536 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.502 26.823 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -12.027 27.200 0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.422 26.347 1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.695 28.867 1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.324 28.790 2.411 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.853 26.895 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.108 29.517 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.085 30.339 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.547 28.286 5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.454 29.648 6.251 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.239 25.079 -0.898 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.897 24.476 -1.122 1.00 0.00 C ATOM 1388 C ASN A 88 -5.872 25.610 -1.176 1.00 0.00 C ATOM 1389 O ASN A 88 -6.137 26.666 -1.714 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.888 23.702 -2.442 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.687 22.407 -2.279 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.801 22.304 -2.751 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.161 21.407 -1.625 1.00 0.00 N ATOM 0 H ASN A 88 -8.435 25.911 -1.455 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.653 23.784 -0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.320 24.311 -3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.863 23.475 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.686 20.540 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.225 21.493 -1.228 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.713 25.417 -0.612 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.700 26.509 -0.629 1.00 0.00 C ATOM 1402 C VAL A 89 -2.419 26.035 -1.314 1.00 0.00 C ATOM 1403 O VAL A 89 -1.933 24.949 -1.069 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.383 26.928 0.807 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.614 28.250 0.796 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.687 27.102 1.588 1.00 0.00 C ATOM 0 H VAL A 89 -4.424 24.558 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.103 27.357 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.775 26.159 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.388 28.548 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.684 28.125 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.221 29.020 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.461 27.401 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.296 27.870 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.234 26.159 1.598 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.861 26.854 -2.163 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.602 26.471 -2.857 1.00 0.00 C ATOM 1418 C PHE A 90 0.449 27.549 -2.597 1.00 0.00 C ATOM 1419 O PHE A 90 0.247 28.709 -2.895 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.848 26.358 -4.362 1.00 0.00 C ATOM 1421 CG PHE A 90 -2.055 25.488 -4.618 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.911 24.098 -4.708 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.318 26.072 -4.771 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -3.031 23.293 -4.949 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.437 25.267 -5.013 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.294 23.877 -5.102 1.00 0.00 C ATOM 0 H PHE A 90 -2.225 27.775 -2.406 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.256 25.508 -2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.005 27.348 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.028 25.934 -4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.937 23.647 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.429 27.144 -4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.920 22.221 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.411 25.718 -5.131 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.158 23.256 -5.289 1.00 0.00 H new ATOM 1436 N ASP A 91 1.568 27.180 -2.040 1.00 0.00 N ATOM 1437 CA ASP A 91 2.621 28.193 -1.759 1.00 0.00 C ATOM 1438 C ASP A 91 3.689 28.145 -2.852 1.00 0.00 C ATOM 1439 O ASP A 91 3.967 27.109 -3.422 1.00 0.00 O ATOM 1440 CB ASP A 91 3.263 27.899 -0.402 1.00 0.00 C ATOM 1441 CG ASP A 91 2.250 28.172 0.711 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.249 28.811 0.430 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.492 27.737 1.825 1.00 0.00 O ATOM 0 H ASP A 91 1.798 26.224 -1.768 1.00 0.00 H new ATOM 0 HA ASP A 91 2.171 29.185 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.593 26.861 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.148 28.521 -0.264 1.00 0.00 H new ATOM 1448 N GLU A 92 4.295 29.264 -3.137 1.00 0.00 N ATOM 1449 CA GLU A 92 5.355 29.301 -4.181 1.00 0.00 C ATOM 1450 C GLU A 92 4.848 28.665 -5.478 1.00 0.00 C ATOM 1451 O GLU A 92 5.494 27.808 -6.047 1.00 0.00 O ATOM 1452 CB GLU A 92 6.579 28.530 -3.684 1.00 0.00 C ATOM 1453 CG GLU A 92 6.744 28.752 -2.179 1.00 0.00 C ATOM 1454 CD GLU A 92 7.867 27.857 -1.650 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.289 26.976 -2.381 1.00 0.00 O ATOM 1456 OE2 GLU A 92 8.284 28.068 -0.524 1.00 0.00 O ATOM 0 H GLU A 92 4.100 30.159 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 92 5.622 30.339 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.463 27.467 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.472 28.864 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.974 29.798 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.811 28.526 -1.663 1.00 0.00 H new ATOM 1463 N VAL A 93 3.706 29.076 -5.961 1.00 0.00 N ATOM 1464 CA VAL A 93 3.186 28.486 -7.228 1.00 0.00 C ATOM 1465 C VAL A 93 3.838 29.193 -8.419 1.00 0.00 C ATOM 1466 O VAL A 93 4.085 28.596 -9.448 1.00 0.00 O ATOM 1467 CB VAL A 93 1.668 28.668 -7.298 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.127 27.952 -8.537 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.021 28.076 -6.045 1.00 0.00 C ATOM 0 H VAL A 93 3.114 29.790 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 93 3.423 27.422 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 93 1.433 29.731 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.046 28.081 -8.588 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.586 28.375 -9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.364 26.890 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.060 28.207 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.255 27.013 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.406 28.585 -5.162 1.00 0.00 H new ATOM 1479 N ILE A 94 4.120 30.461 -8.286 1.00 0.00 N ATOM 1480 CA ILE A 94 4.759 31.205 -9.408 1.00 0.00 C ATOM 1481 C ILE A 94 5.951 31.997 -8.869 1.00 0.00 C ATOM 1482 O ILE A 94 5.819 32.783 -7.951 1.00 0.00 O ATOM 1483 CB ILE A 94 3.742 32.164 -10.030 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.521 31.373 -10.508 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.382 32.885 -11.218 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.679 32.243 -11.444 1.00 0.00 C ATOM 0 H ILE A 94 3.935 31.013 -7.449 1.00 0.00 H new ATOM 0 HA ILE A 94 5.101 30.503 -10.168 1.00 0.00 H new ATOM 0 HB ILE A 94 3.430 32.897 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.841 30.469 -11.026 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.923 31.056 -9.653 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.658 33.568 -11.662 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.251 33.448 -10.877 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.694 32.153 -11.963 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.811 31.678 -11.783 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.347 33.134 -10.912 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.279 32.537 -12.305 1.00 0.00 H new ATOM 1498 N PRO A 95 7.141 31.777 -9.447 1.00 0.00 N ATOM 1499 CA PRO A 95 8.364 32.463 -9.018 1.00 0.00 C ATOM 1500 C PRO A 95 8.361 33.941 -9.419 1.00 0.00 C ATOM 1501 O PRO A 95 7.620 34.361 -10.285 1.00 0.00 O ATOM 1502 CB PRO A 95 9.474 31.719 -9.759 1.00 0.00 C ATOM 1503 CG PRO A 95 8.805 31.139 -10.961 1.00 0.00 C ATOM 1504 CD PRO A 95 7.384 30.844 -10.561 1.00 0.00 C ATOM 0 HA PRO A 95 8.478 32.452 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.282 32.394 -10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.913 30.940 -9.136 1.00 0.00 H new ATOM 0 HG2 PRO A 95 8.835 31.838 -11.797 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.312 30.231 -11.287 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.691 31.014 -11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.261 29.807 -10.250 1.00 0.00 H new ATOM 1512 N THR A 96 9.183 34.733 -8.786 1.00 0.00 N ATOM 1513 CA THR A 96 9.230 36.185 -9.116 1.00 0.00 C ATOM 1514 C THR A 96 9.452 36.372 -10.618 1.00 0.00 C ATOM 1515 O THR A 96 8.819 37.197 -11.247 1.00 0.00 O ATOM 1516 CB THR A 96 10.378 36.844 -8.346 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.354 36.405 -6.995 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.218 38.365 -8.393 1.00 0.00 C ATOM 0 H THR A 96 9.826 34.435 -8.052 1.00 0.00 H new ATOM 0 HA THR A 96 8.284 36.647 -8.834 1.00 0.00 H new ATOM 0 HB THR A 96 11.329 36.566 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.089 36.825 -6.501 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.035 38.834 -7.845 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.237 38.701 -9.430 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.268 38.645 -7.938 1.00 0.00 H new ATOM 1526 N ALA A 97 10.349 35.623 -11.200 1.00 0.00 N ATOM 1527 CA ALA A 97 10.602 35.777 -12.660 1.00 0.00 C ATOM 1528 C ALA A 97 9.670 34.850 -13.442 1.00 0.00 C ATOM 1529 O ALA A 97 9.918 33.667 -13.567 1.00 0.00 O ATOM 1530 CB ALA A 97 12.057 35.419 -12.969 1.00 0.00 C ATOM 0 H ALA A 97 10.914 34.915 -10.731 1.00 0.00 H new ATOM 0 HA ALA A 97 10.414 36.810 -12.952 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.241 35.532 -14.037 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.721 36.083 -12.415 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.248 34.387 -12.675 1.00 0.00 H new ATOM 1536 N PHE A 98 8.599 35.376 -13.968 1.00 0.00 N ATOM 1537 CA PHE A 98 7.653 34.521 -14.738 1.00 0.00 C ATOM 1538 C PHE A 98 7.750 34.859 -16.226 1.00 0.00 C ATOM 1539 O PHE A 98 7.973 35.992 -16.604 1.00 0.00 O ATOM 1540 CB PHE A 98 6.226 34.774 -14.253 1.00 0.00 C ATOM 1541 CG PHE A 98 5.908 36.245 -14.370 1.00 0.00 C ATOM 1542 CD1 PHE A 98 6.210 37.113 -13.314 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.313 36.741 -15.536 1.00 0.00 C ATOM 1544 CE1 PHE A 98 5.915 38.478 -13.424 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.019 38.105 -15.646 1.00 0.00 C ATOM 1546 CZ PHE A 98 5.320 38.974 -14.590 1.00 0.00 C ATOM 0 H PHE A 98 8.338 36.360 -13.898 1.00 0.00 H new ATOM 0 HA PHE A 98 7.910 33.473 -14.586 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.521 34.190 -14.845 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.119 34.449 -13.218 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.670 36.730 -12.415 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.081 36.071 -16.351 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.147 39.148 -12.609 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.560 38.487 -16.546 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.093 40.026 -14.675 1.00 0.00 H new ATOM 1556 N SER A 99 7.580 33.882 -17.072 1.00 0.00 N ATOM 1557 CA SER A 99 7.657 34.142 -18.537 1.00 0.00 C ATOM 1558 C SER A 99 6.249 34.091 -19.131 1.00 0.00 C ATOM 1559 O SER A 99 5.355 33.480 -18.579 1.00 0.00 O ATOM 1560 CB SER A 99 8.532 33.078 -19.200 1.00 0.00 C ATOM 1561 OG SER A 99 9.777 33.000 -18.523 1.00 0.00 O ATOM 0 H SER A 99 7.391 32.914 -16.812 1.00 0.00 H new ATOM 0 HA SER A 99 8.093 35.126 -18.712 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.030 32.111 -19.173 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.691 33.325 -20.250 1.00 0.00 H new ATOM 0 HG SER A 99 10.338 32.317 -18.947 1.00 0.00 H new ATOM 1567 N ILE A 100 6.040 34.727 -20.250 1.00 0.00 N ATOM 1568 CA ILE A 100 4.684 34.708 -20.865 1.00 0.00 C ATOM 1569 C ILE A 100 4.591 33.547 -21.857 1.00 0.00 C ATOM 1570 O ILE A 100 5.496 33.306 -22.632 1.00 0.00 O ATOM 1571 CB ILE A 100 4.428 36.028 -21.594 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.561 37.191 -20.608 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.016 36.018 -22.185 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.342 37.220 -19.684 1.00 0.00 C ATOM 0 H ILE A 100 6.745 35.256 -20.763 1.00 0.00 H new ATOM 0 HA ILE A 100 3.935 34.580 -20.084 1.00 0.00 H new ATOM 0 HB ILE A 100 5.157 36.148 -22.396 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.473 37.081 -20.021 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.642 38.133 -21.150 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.832 36.958 -22.705 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.922 35.190 -22.888 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.287 35.898 -21.384 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.437 38.048 -18.982 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.438 37.350 -20.279 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.281 36.282 -19.132 1.00 0.00 H new ATOM 1586 N GLY A 101 3.505 32.824 -21.839 1.00 0.00 N ATOM 1587 CA GLY A 101 3.356 31.680 -22.781 1.00 0.00 C ATOM 1588 C GLY A 101 3.789 30.386 -22.089 1.00 0.00 C ATOM 1589 O GLY A 101 3.785 29.325 -22.681 1.00 0.00 O ATOM 0 H GLY A 101 2.715 32.976 -21.213 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.320 31.599 -23.110 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.961 31.848 -23.672 1.00 0.00 H new ATOM 1593 N LYS A 102 4.158 30.461 -20.839 1.00 0.00 N ATOM 1594 CA LYS A 102 4.584 29.228 -20.119 1.00 0.00 C ATOM 1595 C LYS A 102 3.597 28.944 -18.986 1.00 0.00 C ATOM 1596 O LYS A 102 3.097 29.849 -18.349 1.00 0.00 O ATOM 1597 CB LYS A 102 5.987 29.429 -19.542 1.00 0.00 C ATOM 1598 CG LYS A 102 6.576 28.076 -19.140 1.00 0.00 C ATOM 1599 CD LYS A 102 7.851 28.299 -18.324 1.00 0.00 C ATOM 1600 CE LYS A 102 8.428 26.948 -17.896 1.00 0.00 C ATOM 1601 NZ LYS A 102 8.838 27.015 -16.464 1.00 0.00 N ATOM 0 H LYS A 102 4.183 31.319 -20.288 1.00 0.00 H new ATOM 0 HA LYS A 102 4.600 28.386 -20.811 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.629 29.911 -20.279 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.944 30.090 -18.676 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.851 27.511 -18.555 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.798 27.485 -20.029 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.583 28.847 -18.917 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.632 28.907 -17.446 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.686 26.162 -18.037 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.285 26.692 -18.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.923 26.052 -16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.755 27.500 -16.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.122 27.540 -15.922 1.00 0.00 H new ATOM 1615 N THR A 103 3.304 27.698 -18.730 1.00 0.00 N ATOM 1616 CA THR A 103 2.341 27.384 -17.639 1.00 0.00 C ATOM 1617 C THR A 103 3.066 27.470 -16.295 1.00 0.00 C ATOM 1618 O THR A 103 4.276 27.559 -16.247 1.00 0.00 O ATOM 1619 CB THR A 103 1.796 25.967 -17.835 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.471 25.772 -19.204 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.543 25.776 -16.979 1.00 0.00 C ATOM 0 H THR A 103 3.686 26.892 -19.224 1.00 0.00 H new ATOM 0 HA THR A 103 1.515 28.095 -17.658 1.00 0.00 H new ATOM 0 HB THR A 103 2.552 25.242 -17.533 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.123 24.865 -19.332 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.156 24.767 -17.120 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.794 25.925 -15.929 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.215 26.500 -17.277 1.00 0.00 H new ATOM 1629 N TYR A 104 2.357 27.431 -15.201 1.00 0.00 N ATOM 1630 CA TYR A 104 3.041 27.496 -13.880 1.00 0.00 C ATOM 1631 C TYR A 104 2.160 26.822 -12.829 1.00 0.00 C ATOM 1632 O TYR A 104 1.207 27.396 -12.342 1.00 0.00 O ATOM 1633 CB TYR A 104 3.287 28.955 -13.498 1.00 0.00 C ATOM 1634 CG TYR A 104 4.528 29.445 -14.204 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.786 28.979 -13.806 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.420 30.359 -15.259 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.938 29.427 -14.462 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.573 30.807 -15.916 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.832 30.341 -15.517 1.00 0.00 C ATOM 1640 OH TYR A 104 7.968 30.783 -16.164 1.00 0.00 O ATOM 0 H TYR A 104 1.340 27.357 -15.164 1.00 0.00 H new ATOM 0 HA TYR A 104 4.000 26.981 -13.935 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.429 29.567 -13.776 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.407 29.047 -12.418 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.868 28.273 -12.992 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.449 30.718 -15.566 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.909 29.068 -14.154 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.491 31.512 -16.730 1.00 0.00 H new ATOM 0 HH TYR A 104 8.722 30.200 -15.937 1.00 0.00 H new ATOM 1650 N LYS A 105 2.464 25.602 -12.485 1.00 0.00 N ATOM 1651 CA LYS A 105 1.636 24.885 -11.474 1.00 0.00 C ATOM 1652 C LYS A 105 2.264 25.033 -10.089 1.00 0.00 C ATOM 1653 O LYS A 105 3.442 25.299 -9.955 1.00 0.00 O ATOM 1654 CB LYS A 105 1.556 23.402 -11.841 1.00 0.00 C ATOM 1655 CG LYS A 105 0.870 23.249 -13.199 1.00 0.00 C ATOM 1656 CD LYS A 105 1.831 23.683 -14.307 1.00 0.00 C ATOM 1657 CE LYS A 105 1.632 22.791 -15.534 1.00 0.00 C ATOM 1658 NZ LYS A 105 2.891 22.752 -16.330 1.00 0.00 N ATOM 0 H LYS A 105 3.249 25.070 -12.860 1.00 0.00 H new ATOM 0 HA LYS A 105 0.634 25.314 -11.461 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.556 22.971 -11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 105 1.001 22.857 -11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.567 22.213 -13.351 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.036 23.854 -13.231 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.653 24.726 -14.570 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.861 23.614 -13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 105 1.354 21.784 -15.223 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.814 23.173 -16.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.668 22.530 -17.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.362 23.678 -16.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.523 22.021 -15.945 1.00 0.00 H new ATOM 1672 N PRO A 106 1.450 24.853 -9.040 1.00 0.00 N ATOM 1673 CA PRO A 106 1.910 24.962 -7.650 1.00 0.00 C ATOM 1674 C PRO A 106 2.801 23.781 -7.251 1.00 0.00 C ATOM 1675 O PRO A 106 2.507 22.641 -7.550 1.00 0.00 O ATOM 1676 CB PRO A 106 0.613 24.934 -6.843 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.362 24.211 -7.711 1.00 0.00 C ATOM 1678 CD PRO A 106 0.015 24.531 -9.130 1.00 0.00 C ATOM 0 HA PRO A 106 2.511 25.856 -7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.751 24.421 -5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.267 25.942 -6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.320 23.137 -7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.382 24.530 -7.499 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.166 23.686 -9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.561 25.371 -9.519 1.00 0.00 H new ATOM 1686 N GLU A 107 3.887 24.047 -6.579 1.00 0.00 N ATOM 1687 CA GLU A 107 4.795 22.941 -6.162 1.00 0.00 C ATOM 1688 C GLU A 107 4.375 22.428 -4.783 1.00 0.00 C ATOM 1689 O GLU A 107 3.664 23.090 -4.054 1.00 0.00 O ATOM 1690 CB GLU A 107 6.233 23.458 -6.096 1.00 0.00 C ATOM 1691 CG GLU A 107 6.554 24.240 -7.371 1.00 0.00 C ATOM 1692 CD GLU A 107 7.999 24.739 -7.313 1.00 0.00 C ATOM 1693 OE1 GLU A 107 8.509 24.891 -6.215 1.00 0.00 O ATOM 1694 OE2 GLU A 107 8.571 24.961 -8.367 1.00 0.00 O ATOM 0 H GLU A 107 4.185 24.982 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 107 4.733 22.129 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.361 24.098 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.926 22.624 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.412 23.605 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.871 25.083 -7.475 1.00 0.00 H new ATOM 1701 N GLU A 108 4.809 21.251 -4.420 1.00 0.00 N ATOM 1702 CA GLU A 108 4.433 20.697 -3.089 1.00 0.00 C ATOM 1703 C GLU A 108 4.964 21.615 -1.986 1.00 0.00 C ATOM 1704 O GLU A 108 6.062 22.123 -2.143 1.00 0.00 O ATOM 1705 CB GLU A 108 5.041 19.302 -2.927 1.00 0.00 C ATOM 1706 CG GLU A 108 4.395 18.344 -3.930 1.00 0.00 C ATOM 1707 CD GLU A 108 2.959 18.044 -3.496 1.00 0.00 C ATOM 1708 OE1 GLU A 108 2.613 18.394 -2.379 1.00 0.00 O ATOM 1709 OE2 GLU A 108 2.229 17.471 -4.287 1.00 0.00 O ATOM 1710 OXT GLU A 108 4.264 21.794 -1.003 1.00 0.00 O ATOM 0 H GLU A 108 5.407 20.650 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 108 3.347 20.631 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.118 19.342 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.884 18.941 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.400 18.786 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.969 17.419 -3.988 1.00 0.00 H new TER 1717 GLU A 108