USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 863 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 96 HIS : no HD1:sc= -0.703 K(o=-4.4,f=-3.1) USER MOD Set 1.2: A 98 ASN : amide:sc= -3.65! C(o=-4.4!,f=-3.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 6 GLN : amide:sc= -3.2! C(o=-3.2!,f=-5.2!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.26) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.93! K(o=-1.9!,f=-0.67) USER MOD Single : A 27 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.2!) USER MOD Single : A 32 THR OG1 : rot -72:sc= -2.81! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 111:sc= 1.2 USER MOD Single : A 41 HIS : no HD1:sc= -0.961 X(o=-0.96,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= -1.32 (180deg=-1.33) USER MOD Single : A 47 SER OG : rot -3:sc= -0.829 USER MOD Single : A 48 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.36) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.947 K(o=-0.95,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.952 USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0535 (180deg=-0.531) USER MOD Single : A 67 SER OG : rot 180:sc= -0.565 USER MOD Single : A 68 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.203! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -53:sc= 1 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00533 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= -0.235 (180deg=-0.321) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= -2.64! (180deg=-3.26!) USER MOD Single : A 95 THR OG1 : rot -146:sc= 0.315! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -1.28! K(o=-1.3!,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -65:sc= 0.648 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -44.998 10.647 -1.528 1.00 0.00 N ATOM 2 CA MET A 1 -44.695 10.020 -2.845 1.00 0.00 C ATOM 3 C MET A 1 -45.999 9.719 -3.576 1.00 0.00 C ATOM 4 O MET A 1 -46.724 8.791 -3.217 1.00 0.00 O ATOM 5 CB MET A 1 -43.910 8.726 -2.619 1.00 0.00 C ATOM 6 CG MET A 1 -43.676 8.025 -3.957 1.00 0.00 C ATOM 7 SD MET A 1 -44.409 6.370 -3.905 1.00 0.00 S ATOM 8 CE MET A 1 -43.301 5.595 -5.107 1.00 0.00 C ATOM 0 H1 MET A 1 -44.109 10.853 -1.029 1.00 0.00 H new ATOM 0 H2 MET A 1 -45.524 11.532 -1.677 1.00 0.00 H new ATOM 0 H3 MET A 1 -45.573 9.995 -0.957 1.00 0.00 H new ATOM 0 HA MET A 1 -44.097 10.702 -3.450 1.00 0.00 H new ATOM 0 HB2 MET A 1 -42.955 8.947 -2.141 1.00 0.00 H new ATOM 0 HB3 MET A 1 -44.459 8.069 -1.944 1.00 0.00 H new ATOM 0 HG2 MET A 1 -44.119 8.605 -4.767 1.00 0.00 H new ATOM 0 HG3 MET A 1 -42.608 7.955 -4.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 -43.576 4.548 -5.233 1.00 0.00 H new ATOM 0 HE2 MET A 1 -43.385 6.110 -6.064 1.00 0.00 H new ATOM 0 HE3 MET A 1 -42.273 5.659 -4.749 1.00 0.00 H new ATOM 18 N THR A 2 -46.293 10.511 -4.602 1.00 0.00 N ATOM 19 CA THR A 2 -47.513 10.323 -5.378 1.00 0.00 C ATOM 20 C THR A 2 -47.297 10.751 -6.826 1.00 0.00 C ATOM 21 O THR A 2 -46.163 10.825 -7.298 1.00 0.00 O ATOM 22 CB THR A 2 -48.649 11.145 -4.764 1.00 0.00 C ATOM 23 OG1 THR A 2 -48.307 11.497 -3.431 1.00 0.00 O ATOM 24 CG2 THR A 2 -49.938 10.321 -4.761 1.00 0.00 C ATOM 0 H THR A 2 -45.707 11.285 -4.914 1.00 0.00 H new ATOM 0 HA THR A 2 -47.777 9.266 -5.360 1.00 0.00 H new ATOM 0 HB THR A 2 -48.802 12.049 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 2 -49.032 12.025 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 2 -50.745 10.909 -4.323 1.00 0.00 H new ATOM 0 HG22 THR A 2 -50.200 10.051 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 2 -49.789 9.415 -4.173 1.00 0.00 H new ATOM 32 N ALA A 3 -48.391 11.032 -7.525 1.00 0.00 N ATOM 33 CA ALA A 3 -48.307 11.453 -8.919 1.00 0.00 C ATOM 34 C ALA A 3 -48.817 12.876 -9.079 1.00 0.00 C ATOM 35 O ALA A 3 -48.101 13.761 -9.548 1.00 0.00 O ATOM 36 CB ALA A 3 -49.126 10.508 -9.803 1.00 0.00 C ATOM 0 H ALA A 3 -49.339 10.977 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 3 -47.262 11.419 -9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -49.057 10.831 -10.842 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -48.736 9.494 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -50.169 10.526 -9.486 1.00 0.00 H new ATOM 42 N GLU A 4 -50.057 13.080 -8.681 1.00 0.00 N ATOM 43 CA GLU A 4 -50.679 14.397 -8.772 1.00 0.00 C ATOM 44 C GLU A 4 -49.643 15.488 -8.552 1.00 0.00 C ATOM 45 O GLU A 4 -49.717 16.568 -9.139 1.00 0.00 O ATOM 46 CB GLU A 4 -51.786 14.536 -7.724 1.00 0.00 C ATOM 47 CG GLU A 4 -52.452 13.179 -7.476 1.00 0.00 C ATOM 48 CD GLU A 4 -53.100 12.669 -8.758 1.00 0.00 C ATOM 49 OE1 GLU A 4 -52.488 12.805 -9.804 1.00 0.00 O ATOM 50 OE2 GLU A 4 -54.202 12.151 -8.677 1.00 0.00 O ATOM 0 H GLU A 4 -50.658 12.354 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 4 -51.108 14.502 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -51.369 14.921 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -52.529 15.258 -8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -51.711 12.461 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -53.204 13.272 -6.692 1.00 0.00 H new ATOM 57 N LEU A 5 -48.679 15.188 -7.702 1.00 0.00 N ATOM 58 CA LEU A 5 -47.616 16.137 -7.392 1.00 0.00 C ATOM 59 C LEU A 5 -46.282 15.637 -7.938 1.00 0.00 C ATOM 60 O LEU A 5 -46.215 14.580 -8.566 1.00 0.00 O ATOM 61 CB LEU A 5 -47.511 16.340 -5.878 1.00 0.00 C ATOM 62 CG LEU A 5 -47.666 14.995 -5.160 1.00 0.00 C ATOM 63 CD1 LEU A 5 -46.981 15.065 -3.794 1.00 0.00 C ATOM 64 CD2 LEU A 5 -49.153 14.672 -4.962 1.00 0.00 C ATOM 0 H LEU A 5 -48.606 14.296 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 5 -47.857 17.090 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -46.549 16.787 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -48.282 17.033 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 5 -47.206 14.214 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -47.091 14.109 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -45.922 15.285 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -47.442 15.851 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -49.252 13.714 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -49.618 15.454 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -49.646 14.618 -5.933 1.00 0.00 H new ATOM 76 N GLN A 6 -45.221 16.403 -7.696 1.00 0.00 N ATOM 77 CA GLN A 6 -43.895 16.025 -8.173 1.00 0.00 C ATOM 78 C GLN A 6 -43.248 15.012 -7.236 1.00 0.00 C ATOM 79 O GLN A 6 -43.500 15.015 -6.030 1.00 0.00 O ATOM 80 CB GLN A 6 -43.000 17.262 -8.274 1.00 0.00 C ATOM 81 CG GLN A 6 -43.596 18.243 -9.287 1.00 0.00 C ATOM 82 CD GLN A 6 -45.003 18.642 -8.857 1.00 0.00 C ATOM 83 OE1 GLN A 6 -45.194 19.150 -7.753 1.00 0.00 O ATOM 84 NE2 GLN A 6 -46.004 18.439 -9.669 1.00 0.00 N ATOM 0 H GLN A 6 -45.253 17.281 -7.177 1.00 0.00 H new ATOM 0 HA GLN A 6 -44.008 15.572 -9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -42.911 17.740 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -41.995 16.973 -8.580 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -42.965 19.128 -9.364 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -43.625 17.786 -10.276 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -45.841 18.018 -10.584 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -46.949 18.702 -9.389 1.00 0.00 H new ATOM 93 N GLN A 7 -42.409 14.149 -7.798 1.00 0.00 N ATOM 94 CA GLN A 7 -41.722 13.135 -7.007 1.00 0.00 C ATOM 95 C GLN A 7 -40.224 13.415 -6.971 1.00 0.00 C ATOM 96 O GLN A 7 -39.470 12.734 -6.276 1.00 0.00 O ATOM 97 CB GLN A 7 -41.972 11.749 -7.605 1.00 0.00 C ATOM 98 CG GLN A 7 -41.769 10.681 -6.528 1.00 0.00 C ATOM 99 CD GLN A 7 -41.338 9.369 -7.172 1.00 0.00 C ATOM 100 OE1 GLN A 7 -40.336 8.777 -6.769 1.00 0.00 O ATOM 101 NE2 GLN A 7 -42.040 8.874 -8.154 1.00 0.00 N ATOM 0 H GLN A 7 -42.189 14.131 -8.794 1.00 0.00 H new ATOM 0 HA GLN A 7 -42.111 13.165 -5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -42.985 11.691 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -41.292 11.573 -8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -41.014 11.011 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -42.694 10.535 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -42.870 9.366 -8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -41.759 7.995 -8.589 1.00 0.00 H new ATOM 110 N ASP A 8 -39.803 14.424 -7.725 1.00 0.00 N ATOM 111 CA ASP A 8 -38.394 14.792 -7.777 1.00 0.00 C ATOM 112 C ASP A 8 -38.128 15.993 -6.881 1.00 0.00 C ATOM 113 O ASP A 8 -36.997 16.236 -6.462 1.00 0.00 O ATOM 114 CB ASP A 8 -37.993 15.126 -9.214 1.00 0.00 C ATOM 115 CG ASP A 8 -37.599 13.852 -9.953 1.00 0.00 C ATOM 116 OD1 ASP A 8 -38.490 13.156 -10.410 1.00 0.00 O ATOM 117 OD2 ASP A 8 -36.411 13.591 -10.051 1.00 0.00 O ATOM 0 H ASP A 8 -40.414 14.999 -8.306 1.00 0.00 H new ATOM 0 HA ASP A 8 -37.802 13.948 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -38.822 15.613 -9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -37.160 15.829 -9.214 1.00 0.00 H new ATOM 122 N ASP A 9 -39.185 16.734 -6.593 1.00 0.00 N ATOM 123 CA ASP A 9 -39.076 17.912 -5.742 1.00 0.00 C ATOM 124 C ASP A 9 -38.066 17.673 -4.633 1.00 0.00 C ATOM 125 O ASP A 9 -37.030 18.333 -4.559 1.00 0.00 O ATOM 126 CB ASP A 9 -40.439 18.244 -5.131 1.00 0.00 C ATOM 127 CG ASP A 9 -40.272 19.245 -3.994 1.00 0.00 C ATOM 128 OD1 ASP A 9 -39.805 20.341 -4.258 1.00 0.00 O ATOM 129 OD2 ASP A 9 -40.612 18.902 -2.874 1.00 0.00 O ATOM 0 H ASP A 9 -40.127 16.543 -6.934 1.00 0.00 H new ATOM 0 HA ASP A 9 -38.740 18.750 -6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -41.098 18.656 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -40.911 17.335 -4.759 1.00 0.00 H new ATOM 134 N ALA A 10 -38.383 16.720 -3.779 1.00 0.00 N ATOM 135 CA ALA A 10 -37.509 16.376 -2.663 1.00 0.00 C ATOM 136 C ALA A 10 -36.121 16.006 -3.172 1.00 0.00 C ATOM 137 O ALA A 10 -35.803 16.216 -4.342 1.00 0.00 O ATOM 138 CB ALA A 10 -38.099 15.202 -1.881 1.00 0.00 C ATOM 0 H ALA A 10 -39.238 16.167 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 10 -37.426 17.242 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -37.441 14.951 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -39.081 15.478 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -38.197 14.339 -2.539 1.00 0.00 H new ATOM 144 N ALA A 11 -35.296 15.453 -2.287 1.00 0.00 N ATOM 145 CA ALA A 11 -33.943 15.060 -2.665 1.00 0.00 C ATOM 146 C ALA A 11 -33.392 14.016 -1.699 1.00 0.00 C ATOM 147 O ALA A 11 -34.147 13.369 -0.971 1.00 0.00 O ATOM 148 CB ALA A 11 -33.028 16.286 -2.669 1.00 0.00 C ATOM 0 H ALA A 11 -35.538 15.269 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 11 -33.979 14.626 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -32.019 15.986 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -33.403 17.018 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -33.009 16.729 -1.673 1.00 0.00 H new ATOM 154 N GLY A 12 -32.072 13.857 -1.700 1.00 0.00 N ATOM 155 CA GLY A 12 -31.427 12.889 -0.821 1.00 0.00 C ATOM 156 C GLY A 12 -31.132 11.591 -1.565 1.00 0.00 C ATOM 157 O GLY A 12 -30.015 11.373 -2.032 1.00 0.00 O ATOM 0 H GLY A 12 -31.432 14.382 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -30.500 13.308 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -32.070 12.684 0.035 1.00 0.00 H new ATOM 161 N ALA A 13 -32.142 10.732 -1.670 1.00 0.00 N ATOM 162 CA ALA A 13 -31.980 9.459 -2.360 1.00 0.00 C ATOM 163 C ALA A 13 -31.368 9.671 -3.734 1.00 0.00 C ATOM 164 O ALA A 13 -30.605 8.841 -4.230 1.00 0.00 O ATOM 165 CB ALA A 13 -33.337 8.772 -2.510 1.00 0.00 C ATOM 0 H ALA A 13 -33.074 10.894 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 13 -31.314 8.830 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -33.208 7.821 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -33.766 8.594 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -34.006 9.410 -3.087 1.00 0.00 H new ATOM 171 N ALA A 14 -31.714 10.793 -4.336 1.00 0.00 N ATOM 172 CA ALA A 14 -31.207 11.135 -5.658 1.00 0.00 C ATOM 173 C ALA A 14 -31.233 9.914 -6.571 1.00 0.00 C ATOM 174 O ALA A 14 -32.099 9.048 -6.439 1.00 0.00 O ATOM 175 CB ALA A 14 -29.777 11.663 -5.546 1.00 0.00 C ATOM 0 H ALA A 14 -32.345 11.486 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 14 -31.846 11.908 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -29.404 11.917 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -29.766 12.552 -4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -29.140 10.897 -5.104 1.00 0.00 H new ATOM 181 N ASP A 15 -30.281 9.851 -7.495 1.00 0.00 N ATOM 182 CA ASP A 15 -30.208 8.730 -8.425 1.00 0.00 C ATOM 183 C ASP A 15 -28.870 8.008 -8.291 1.00 0.00 C ATOM 184 O ASP A 15 -28.753 7.033 -7.548 1.00 0.00 O ATOM 185 CB ASP A 15 -30.379 9.231 -9.859 1.00 0.00 C ATOM 186 CG ASP A 15 -31.722 9.938 -10.007 1.00 0.00 C ATOM 187 OD1 ASP A 15 -32.397 10.101 -9.004 1.00 0.00 O ATOM 188 OD2 ASP A 15 -32.056 10.305 -11.121 1.00 0.00 O ATOM 0 H ASP A 15 -29.555 10.556 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 15 -31.010 8.031 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -29.569 9.914 -10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -30.320 8.394 -10.555 1.00 0.00 H new ATOM 193 N GLY A 16 -27.867 8.491 -9.015 1.00 0.00 N ATOM 194 CA GLY A 16 -26.544 7.879 -8.970 1.00 0.00 C ATOM 195 C GLY A 16 -25.649 8.576 -7.948 1.00 0.00 C ATOM 196 O GLY A 16 -24.498 8.187 -7.753 1.00 0.00 O ATOM 0 H GLY A 16 -27.943 9.297 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -26.637 6.823 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -26.083 7.930 -9.956 1.00 0.00 H new ATOM 200 N HIS A 17 -26.185 9.607 -7.300 1.00 0.00 N ATOM 201 CA HIS A 17 -25.421 10.348 -6.301 1.00 0.00 C ATOM 202 C HIS A 17 -25.539 9.684 -4.933 1.00 0.00 C ATOM 203 O HIS A 17 -26.621 9.633 -4.348 1.00 0.00 O ATOM 204 CB HIS A 17 -25.930 11.789 -6.214 1.00 0.00 C ATOM 205 CG HIS A 17 -24.977 12.705 -6.934 1.00 0.00 C ATOM 206 ND1 HIS A 17 -24.732 12.596 -8.294 1.00 0.00 N ATOM 207 CD2 HIS A 17 -24.202 13.752 -6.497 1.00 0.00 C ATOM 208 CE1 HIS A 17 -23.844 13.551 -8.625 1.00 0.00 C ATOM 209 NE2 HIS A 17 -23.489 14.285 -7.567 1.00 0.00 N ATOM 0 H HIS A 17 -27.136 9.946 -7.447 1.00 0.00 H new ATOM 0 HA HIS A 17 -24.374 10.350 -6.603 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -26.924 11.862 -6.656 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -26.022 12.091 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -24.153 14.107 -5.478 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -23.464 13.705 -9.624 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -22.836 15.068 -7.547 1.00 0.00 H new ATOM 217 N GLY A 18 -24.418 9.177 -4.429 1.00 0.00 N ATOM 218 CA GLY A 18 -24.407 8.518 -3.127 1.00 0.00 C ATOM 219 C GLY A 18 -24.385 9.540 -1.996 1.00 0.00 C ATOM 220 O GLY A 18 -24.951 10.625 -2.117 1.00 0.00 O ATOM 0 H GLY A 18 -23.513 9.209 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -25.287 7.882 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -23.535 7.869 -3.052 1.00 0.00 H new ATOM 224 N SER A 19 -23.728 9.185 -0.895 1.00 0.00 N ATOM 225 CA SER A 19 -23.642 10.082 0.251 1.00 0.00 C ATOM 226 C SER A 19 -22.241 10.054 0.852 1.00 0.00 C ATOM 227 O SER A 19 -21.745 9.000 1.250 1.00 0.00 O ATOM 228 CB SER A 19 -24.662 9.673 1.313 1.00 0.00 C ATOM 229 OG SER A 19 -25.952 9.604 0.722 1.00 0.00 O ATOM 0 H SER A 19 -23.252 8.291 -0.773 1.00 0.00 H new ATOM 0 HA SER A 19 -23.858 11.095 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 19 -24.393 8.707 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 19 -24.662 10.394 2.131 1.00 0.00 H new ATOM 0 HG SER A 19 -26.609 9.340 1.400 1.00 0.00 H new ATOM 235 N SER A 20 -21.608 11.220 0.914 1.00 0.00 N ATOM 236 CA SER A 20 -20.265 11.322 1.468 1.00 0.00 C ATOM 237 C SER A 20 -19.793 12.772 1.456 1.00 0.00 C ATOM 238 O SER A 20 -20.147 13.542 0.563 1.00 0.00 O ATOM 239 CB SER A 20 -19.298 10.464 0.654 1.00 0.00 C ATOM 240 OG SER A 20 -17.981 10.979 0.795 1.00 0.00 O ATOM 0 H SER A 20 -22.001 12.103 0.589 1.00 0.00 H new ATOM 0 HA SER A 20 -20.288 10.965 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 20 -19.335 9.430 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 20 -19.590 10.463 -0.396 1.00 0.00 H new ATOM 0 HG SER A 20 -17.358 10.430 0.275 1.00 0.00 H new ATOM 246 N CYS A 21 -18.992 13.137 2.451 1.00 0.00 N ATOM 247 CA CYS A 21 -18.478 14.497 2.543 1.00 0.00 C ATOM 248 C CYS A 21 -17.308 14.695 1.584 1.00 0.00 C ATOM 249 O CYS A 21 -16.413 13.855 1.499 1.00 0.00 O ATOM 250 CB CYS A 21 -18.024 14.789 3.976 1.00 0.00 C ATOM 251 SG CYS A 21 -19.036 16.122 4.665 1.00 0.00 S ATOM 0 H CYS A 21 -18.687 12.515 3.200 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.277 15.186 2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.117 13.892 4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -16.972 15.074 3.985 1.00 0.00 H new ATOM 0 HG CYS A 21 -18.655 16.371 5.883 1.00 0.00 H new ATOM 257 N GLN A 22 -17.323 15.813 0.864 1.00 0.00 N ATOM 258 CA GLN A 22 -16.256 16.112 -0.084 1.00 0.00 C ATOM 259 C GLN A 22 -15.027 16.641 0.646 1.00 0.00 C ATOM 260 O GLN A 22 -13.934 16.700 0.080 1.00 0.00 O ATOM 261 CB GLN A 22 -16.738 17.152 -1.100 1.00 0.00 C ATOM 262 CG GLN A 22 -18.106 16.738 -1.647 1.00 0.00 C ATOM 263 CD GLN A 22 -18.164 16.978 -3.152 1.00 0.00 C ATOM 264 OE1 GLN A 22 -19.208 17.364 -3.680 1.00 0.00 O ATOM 265 NE2 GLN A 22 -17.100 16.770 -3.879 1.00 0.00 N ATOM 0 H GLN A 22 -18.055 16.521 0.918 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.987 15.193 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.805 18.132 -0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.020 17.239 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -18.289 15.685 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.892 17.306 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.237 16.450 -3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -17.132 16.927 -4.886 1.00 0.00 H new ATOM 274 N MET A 23 -15.212 17.025 1.905 1.00 0.00 N ATOM 275 CA MET A 23 -14.109 17.548 2.701 1.00 0.00 C ATOM 276 C MET A 23 -13.088 16.458 2.977 1.00 0.00 C ATOM 277 O MET A 23 -11.921 16.739 3.239 1.00 0.00 O ATOM 278 CB MET A 23 -14.628 18.099 4.031 1.00 0.00 C ATOM 279 CG MET A 23 -15.647 19.208 3.763 1.00 0.00 C ATOM 280 SD MET A 23 -15.522 20.469 5.056 1.00 0.00 S ATOM 281 CE MET A 23 -16.967 19.954 6.016 1.00 0.00 C ATOM 0 H MET A 23 -16.107 16.984 2.392 1.00 0.00 H new ATOM 0 HA MET A 23 -13.634 18.350 2.136 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.089 17.300 4.612 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.800 18.487 4.624 1.00 0.00 H new ATOM 0 HG2 MET A 23 -15.465 19.655 2.786 1.00 0.00 H new ATOM 0 HG3 MET A 23 -16.655 18.793 3.741 1.00 0.00 H new ATOM 0 HE1 MET A 23 -17.082 20.609 6.880 1.00 0.00 H new ATOM 0 HE2 MET A 23 -17.859 20.016 5.392 1.00 0.00 H new ATOM 0 HE3 MET A 23 -16.831 18.927 6.355 1.00 0.00 H new ATOM 291 N LEU A 24 -13.541 15.215 2.924 1.00 0.00 N ATOM 292 CA LEU A 24 -12.665 14.078 3.180 1.00 0.00 C ATOM 293 C LEU A 24 -11.610 13.948 2.093 1.00 0.00 C ATOM 294 O LEU A 24 -10.412 14.085 2.347 1.00 0.00 O ATOM 295 CB LEU A 24 -13.493 12.793 3.252 1.00 0.00 C ATOM 296 CG LEU A 24 -14.550 12.928 4.349 1.00 0.00 C ATOM 297 CD1 LEU A 24 -15.749 12.035 4.022 1.00 0.00 C ATOM 298 CD2 LEU A 24 -13.947 12.502 5.690 1.00 0.00 C ATOM 0 H LEU A 24 -14.506 14.966 2.707 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.160 14.242 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.972 12.602 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.845 11.941 3.459 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.879 13.965 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.500 12.133 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.179 12.338 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.423 10.997 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.699 12.597 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.617 11.465 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.095 13.140 5.925 1.00 0.00 H new ATOM 310 N LEU A 25 -12.064 13.691 0.885 1.00 0.00 N ATOM 311 CA LEU A 25 -11.156 13.549 -0.246 1.00 0.00 C ATOM 312 C LEU A 25 -10.452 14.873 -0.517 1.00 0.00 C ATOM 313 O LEU A 25 -9.283 14.897 -0.904 1.00 0.00 O ATOM 314 CB LEU A 25 -11.926 13.107 -1.492 1.00 0.00 C ATOM 315 CG LEU A 25 -13.360 13.635 -1.423 1.00 0.00 C ATOM 316 CD1 LEU A 25 -13.827 14.033 -2.824 1.00 0.00 C ATOM 317 CD2 LEU A 25 -14.279 12.540 -0.874 1.00 0.00 C ATOM 0 H LEU A 25 -13.051 13.576 0.656 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.412 12.790 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.433 13.482 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.931 12.019 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.395 14.505 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.849 14.409 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.173 14.811 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.792 13.163 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.301 12.914 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.242 11.671 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.948 12.254 0.124 1.00 0.00 H new ATOM 329 N ASN A 26 -11.166 15.975 -0.303 1.00 0.00 N ATOM 330 CA ASN A 26 -10.590 17.295 -0.521 1.00 0.00 C ATOM 331 C ASN A 26 -9.407 17.512 0.407 1.00 0.00 C ATOM 332 O ASN A 26 -8.307 17.845 -0.033 1.00 0.00 O ATOM 333 CB ASN A 26 -11.638 18.383 -0.283 1.00 0.00 C ATOM 334 CG ASN A 26 -11.046 19.751 -0.606 1.00 0.00 C ATOM 335 OD1 ASN A 26 -11.723 20.771 -0.468 1.00 0.00 O ATOM 336 ND2 ASN A 26 -9.815 19.834 -1.031 1.00 0.00 N ATOM 0 H ASN A 26 -12.134 15.979 0.018 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.249 17.354 -1.555 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.514 18.199 -0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.973 18.357 0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.411 20.745 -1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.256 18.988 -1.144 1.00 0.00 H new ATOM 343 N GLN A 27 -9.641 17.310 1.690 1.00 0.00 N ATOM 344 CA GLN A 27 -8.581 17.474 2.678 1.00 0.00 C ATOM 345 C GLN A 27 -7.403 16.584 2.313 1.00 0.00 C ATOM 346 O GLN A 27 -6.299 17.072 2.064 1.00 0.00 O ATOM 347 CB GLN A 27 -9.089 17.119 4.075 1.00 0.00 C ATOM 348 CG GLN A 27 -9.537 18.393 4.793 1.00 0.00 C ATOM 349 CD GLN A 27 -8.324 19.242 5.149 1.00 0.00 C ATOM 350 OE1 GLN A 27 -7.195 18.750 5.135 1.00 0.00 O ATOM 351 NE2 GLN A 27 -8.488 20.496 5.471 1.00 0.00 N ATOM 0 H GLN A 27 -10.545 17.035 2.074 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.262 18.516 2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.920 16.417 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.302 16.625 4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.215 18.961 4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.090 18.136 5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.424 20.902 5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.680 21.071 5.712 1.00 0.00 H new ATOM 360 N LEU A 28 -7.641 15.274 2.256 1.00 0.00 N ATOM 361 CA LEU A 28 -6.579 14.353 1.892 1.00 0.00 C ATOM 362 C LEU A 28 -5.831 14.899 0.681 1.00 0.00 C ATOM 363 O LEU A 28 -4.606 14.984 0.680 1.00 0.00 O ATOM 364 CB LEU A 28 -7.162 12.980 1.553 1.00 0.00 C ATOM 365 CG LEU A 28 -6.023 12.022 1.190 1.00 0.00 C ATOM 366 CD1 LEU A 28 -5.337 11.524 2.464 1.00 0.00 C ATOM 367 CD2 LEU A 28 -6.572 10.826 0.412 1.00 0.00 C ATOM 0 H LEU A 28 -8.542 14.839 2.454 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.895 14.249 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.723 12.591 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.861 13.064 0.721 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.301 12.555 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.528 10.843 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.931 12.373 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.062 11.001 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.755 10.151 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.302 10.298 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.051 11.176 -0.503 1.00 0.00 H new ATOM 379 N ARG A 29 -6.588 15.278 -0.344 1.00 0.00 N ATOM 380 CA ARG A 29 -5.999 15.828 -1.558 1.00 0.00 C ATOM 381 C ARG A 29 -5.279 17.136 -1.247 1.00 0.00 C ATOM 382 O ARG A 29 -4.418 17.579 -2.000 1.00 0.00 O ATOM 383 CB ARG A 29 -7.089 16.075 -2.604 1.00 0.00 C ATOM 384 CG ARG A 29 -6.462 16.655 -3.873 1.00 0.00 C ATOM 385 CD ARG A 29 -6.703 18.164 -3.919 1.00 0.00 C ATOM 386 NE ARG A 29 -5.642 18.822 -4.673 1.00 0.00 N ATOM 387 CZ ARG A 29 -5.650 20.138 -4.868 1.00 0.00 C ATOM 388 NH1 ARG A 29 -6.617 20.867 -4.380 1.00 0.00 N ATOM 389 NH2 ARG A 29 -4.687 20.701 -5.547 1.00 0.00 N ATOM 0 H ARG A 29 -7.606 15.214 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.279 15.111 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.604 15.142 -2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.837 16.763 -2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.392 16.446 -3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.894 16.180 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.669 18.371 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.741 18.564 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.880 18.263 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.368 20.428 -3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.621 21.876 -4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.930 20.132 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.691 21.710 -5.698 1.00 0.00 H new ATOM 403 N GLU A 30 -5.645 17.749 -0.130 1.00 0.00 N ATOM 404 CA GLU A 30 -5.031 19.007 0.278 1.00 0.00 C ATOM 405 C GLU A 30 -3.737 18.738 1.030 1.00 0.00 C ATOM 406 O GLU A 30 -2.861 19.600 1.120 1.00 0.00 O ATOM 407 CB GLU A 30 -5.989 19.788 1.179 1.00 0.00 C ATOM 408 CG GLU A 30 -5.636 21.276 1.133 1.00 0.00 C ATOM 409 CD GLU A 30 -6.450 21.973 0.048 1.00 0.00 C ATOM 410 OE1 GLU A 30 -7.526 21.489 -0.263 1.00 0.00 O ATOM 411 OE2 GLU A 30 -5.986 22.982 -0.457 1.00 0.00 O ATOM 0 H GLU A 30 -6.360 17.399 0.508 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.813 19.594 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.017 19.637 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.924 19.420 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.836 21.736 2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.571 21.399 0.936 1.00 0.00 H new ATOM 418 N ILE A 31 -3.629 17.534 1.570 1.00 0.00 N ATOM 419 CA ILE A 31 -2.446 17.141 2.321 1.00 0.00 C ATOM 420 C ILE A 31 -1.439 16.460 1.417 1.00 0.00 C ATOM 421 O ILE A 31 -0.263 16.824 1.367 1.00 0.00 O ATOM 422 CB ILE A 31 -2.848 16.172 3.427 1.00 0.00 C ATOM 423 CG1 ILE A 31 -3.864 16.854 4.337 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.612 15.780 4.231 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.841 15.818 4.897 1.00 0.00 C ATOM 0 H ILE A 31 -4.346 16.812 1.502 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.993 18.037 2.746 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.291 15.275 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.351 17.361 5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.409 17.617 3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.897 15.087 5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.887 15.301 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.167 16.672 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.564 16.313 5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.366 15.331 4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.291 15.071 5.470 1.00 0.00 H new ATOM 437 N THR A 32 -1.925 15.458 0.725 1.00 0.00 N ATOM 438 CA THR A 32 -1.107 14.672 -0.179 1.00 0.00 C ATOM 439 C THR A 32 -0.948 15.364 -1.529 1.00 0.00 C ATOM 440 O THR A 32 0.113 15.293 -2.149 1.00 0.00 O ATOM 441 CB THR A 32 -1.779 13.319 -0.379 1.00 0.00 C ATOM 442 OG1 THR A 32 -2.860 13.473 -1.288 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.314 12.820 0.963 1.00 0.00 C ATOM 0 H THR A 32 -2.900 15.161 0.770 1.00 0.00 H new ATOM 0 HA THR A 32 -0.114 14.553 0.254 1.00 0.00 H new ATOM 0 HB THR A 32 -1.061 12.601 -0.775 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.589 13.961 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.796 11.852 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.489 12.718 1.668 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.039 13.534 1.354 1.00 0.00 H new ATOM 451 N GLY A 33 -2.006 16.024 -1.986 1.00 0.00 N ATOM 452 CA GLY A 33 -1.951 16.709 -3.277 1.00 0.00 C ATOM 453 C GLY A 33 -2.128 15.711 -4.412 1.00 0.00 C ATOM 454 O GLY A 33 -1.504 15.832 -5.466 1.00 0.00 O ATOM 0 H GLY A 33 -2.897 16.101 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.731 17.469 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.996 17.225 -3.382 1.00 0.00 H new ATOM 458 N ILE A 34 -2.966 14.713 -4.174 1.00 0.00 N ATOM 459 CA ILE A 34 -3.206 13.674 -5.165 1.00 0.00 C ATOM 460 C ILE A 34 -4.488 13.943 -5.947 1.00 0.00 C ATOM 461 O ILE A 34 -5.491 14.387 -5.387 1.00 0.00 O ATOM 462 CB ILE A 34 -3.293 12.320 -4.462 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.097 12.184 -3.498 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.286 11.201 -5.508 1.00 0.00 C ATOM 465 CD1 ILE A 34 -1.044 11.239 -4.058 1.00 0.00 C ATOM 0 H ILE A 34 -3.490 14.600 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.379 13.670 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.218 12.246 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.654 13.164 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.444 11.815 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.348 10.235 -5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.141 11.320 -6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.364 11.251 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.213 11.163 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.483 10.253 -4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.680 11.623 -5.011 1.00 0.00 H new ATOM 477 N GLN A 35 -4.442 13.670 -7.248 1.00 0.00 N ATOM 478 CA GLN A 35 -5.596 13.881 -8.113 1.00 0.00 C ATOM 479 C GLN A 35 -6.142 12.544 -8.603 1.00 0.00 C ATOM 480 O GLN A 35 -6.819 12.475 -9.629 1.00 0.00 O ATOM 481 CB GLN A 35 -5.198 14.737 -9.315 1.00 0.00 C ATOM 482 CG GLN A 35 -4.867 16.154 -8.845 1.00 0.00 C ATOM 483 CD GLN A 35 -4.603 17.050 -10.049 1.00 0.00 C ATOM 484 OE1 GLN A 35 -3.449 17.316 -10.385 1.00 0.00 O ATOM 485 NE2 GLN A 35 -5.611 17.533 -10.720 1.00 0.00 N ATOM 0 H GLN A 35 -3.619 13.303 -7.725 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.369 14.394 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.336 14.299 -9.818 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.011 14.764 -10.041 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.693 16.554 -8.257 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.992 16.136 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.565 17.310 -10.438 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.445 18.134 -11.527 1.00 0.00 H new ATOM 494 N ASP A 36 -5.844 11.488 -7.859 1.00 0.00 N ATOM 495 CA ASP A 36 -6.305 10.153 -8.214 1.00 0.00 C ATOM 496 C ASP A 36 -7.353 9.680 -7.212 1.00 0.00 C ATOM 497 O ASP A 36 -7.070 8.840 -6.357 1.00 0.00 O ATOM 498 CB ASP A 36 -5.126 9.176 -8.225 1.00 0.00 C ATOM 499 CG ASP A 36 -5.411 8.021 -9.179 1.00 0.00 C ATOM 500 OD1 ASP A 36 -6.376 7.311 -8.946 1.00 0.00 O ATOM 501 OD2 ASP A 36 -4.660 7.862 -10.127 1.00 0.00 O ATOM 0 H ASP A 36 -5.286 11.530 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.750 10.188 -9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.217 9.694 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.952 8.793 -7.220 1.00 0.00 H new ATOM 506 N PRO A 37 -8.545 10.209 -7.295 1.00 0.00 N ATOM 507 CA PRO A 37 -9.650 9.848 -6.370 1.00 0.00 C ATOM 508 C PRO A 37 -9.622 8.380 -5.980 1.00 0.00 C ATOM 509 O PRO A 37 -10.121 7.987 -4.926 1.00 0.00 O ATOM 510 CB PRO A 37 -10.889 10.177 -7.186 1.00 0.00 C ATOM 511 CG PRO A 37 -10.492 11.323 -8.058 1.00 0.00 C ATOM 512 CD PRO A 37 -8.981 11.210 -8.284 1.00 0.00 C ATOM 0 HA PRO A 37 -9.594 10.381 -5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.207 9.321 -7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.726 10.445 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.028 11.290 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.741 12.273 -7.585 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.753 10.892 -9.301 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.482 12.167 -8.130 1.00 0.00 H new ATOM 520 N SER A 38 -9.038 7.580 -6.849 1.00 0.00 N ATOM 521 CA SER A 38 -8.939 6.143 -6.619 1.00 0.00 C ATOM 522 C SER A 38 -7.984 5.829 -5.468 1.00 0.00 C ATOM 523 O SER A 38 -8.348 5.122 -4.524 1.00 0.00 O ATOM 524 CB SER A 38 -8.448 5.453 -7.890 1.00 0.00 C ATOM 525 OG SER A 38 -8.619 6.332 -8.994 1.00 0.00 O ATOM 0 H SER A 38 -8.622 7.897 -7.725 1.00 0.00 H new ATOM 0 HA SER A 38 -9.929 5.773 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.398 5.179 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.004 4.530 -8.055 1.00 0.00 H new ATOM 0 HG SER A 38 -7.742 6.632 -9.313 1.00 0.00 H new ATOM 531 N PHE A 39 -6.763 6.354 -5.540 1.00 0.00 N ATOM 532 CA PHE A 39 -5.791 6.103 -4.492 1.00 0.00 C ATOM 533 C PHE A 39 -6.166 6.897 -3.243 1.00 0.00 C ATOM 534 O PHE A 39 -5.822 6.519 -2.118 1.00 0.00 O ATOM 535 CB PHE A 39 -4.385 6.459 -5.011 1.00 0.00 C ATOM 536 CG PHE A 39 -3.652 7.365 -4.051 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.181 8.614 -3.725 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.433 6.957 -3.494 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.498 9.453 -2.848 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.749 7.804 -2.613 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.288 9.056 -2.293 1.00 0.00 C ATOM 0 H PHE A 39 -6.432 6.946 -6.302 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.788 5.048 -4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.810 5.545 -5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.468 6.947 -5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.121 8.930 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.021 5.990 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.912 10.419 -2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.809 7.493 -2.182 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.763 9.713 -1.615 1.00 0.00 H new ATOM 551 N LEU A 40 -6.899 7.990 -3.449 1.00 0.00 N ATOM 552 CA LEU A 40 -7.333 8.822 -2.338 1.00 0.00 C ATOM 553 C LEU A 40 -8.376 8.078 -1.520 1.00 0.00 C ATOM 554 O LEU A 40 -8.254 7.949 -0.299 1.00 0.00 O ATOM 555 CB LEU A 40 -7.921 10.148 -2.854 1.00 0.00 C ATOM 556 CG LEU A 40 -6.789 11.123 -3.207 1.00 0.00 C ATOM 557 CD1 LEU A 40 -6.730 11.353 -4.718 1.00 0.00 C ATOM 558 CD2 LEU A 40 -7.009 12.464 -2.503 1.00 0.00 C ATOM 0 H LEU A 40 -7.200 8.315 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.471 9.046 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.540 9.963 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.568 10.588 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.848 10.686 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.922 12.047 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.550 10.404 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.677 11.772 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.200 13.147 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.960 12.891 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.024 12.310 -1.424 1.00 0.00 H new ATOM 570 N HIS A 41 -9.395 7.573 -2.203 1.00 0.00 N ATOM 571 CA HIS A 41 -10.442 6.829 -1.529 1.00 0.00 C ATOM 572 C HIS A 41 -9.900 5.491 -1.047 1.00 0.00 C ATOM 573 O HIS A 41 -10.408 4.922 -0.083 1.00 0.00 O ATOM 574 CB HIS A 41 -11.625 6.596 -2.471 1.00 0.00 C ATOM 575 CG HIS A 41 -12.912 6.806 -1.717 1.00 0.00 C ATOM 576 ND1 HIS A 41 -12.961 6.817 -0.332 1.00 0.00 N ATOM 577 CD2 HIS A 41 -14.201 7.018 -2.139 1.00 0.00 C ATOM 578 CE1 HIS A 41 -14.240 7.026 0.027 1.00 0.00 C ATOM 579 NE2 HIS A 41 -15.038 7.155 -1.035 1.00 0.00 N ATOM 0 H HIS A 41 -9.516 7.665 -3.212 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.784 7.410 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.571 7.280 -3.318 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.588 5.585 -2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -14.518 7.071 -3.170 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.580 7.083 1.050 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -16.045 7.319 -1.037 1.00 0.00 H new ATOM 587 N GLU A 42 -8.849 5.000 -1.706 1.00 0.00 N ATOM 588 CA GLU A 42 -8.256 3.733 -1.303 1.00 0.00 C ATOM 589 C GLU A 42 -7.591 3.906 0.050 1.00 0.00 C ATOM 590 O GLU A 42 -7.660 3.031 0.912 1.00 0.00 O ATOM 591 CB GLU A 42 -7.223 3.274 -2.332 1.00 0.00 C ATOM 592 CG GLU A 42 -6.585 1.966 -1.863 1.00 0.00 C ATOM 593 CD GLU A 42 -5.655 1.422 -2.942 1.00 0.00 C ATOM 594 OE1 GLU A 42 -5.806 1.823 -4.084 1.00 0.00 O ATOM 595 OE2 GLU A 42 -4.804 0.612 -2.610 1.00 0.00 O ATOM 0 H GLU A 42 -8.402 5.452 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.038 2.976 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.699 3.132 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.457 4.039 -2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.027 2.134 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.361 1.234 -1.637 1.00 0.00 H new ATOM 602 N ALA A 43 -6.955 5.057 0.228 1.00 0.00 N ATOM 603 CA ALA A 43 -6.286 5.359 1.484 1.00 0.00 C ATOM 604 C ALA A 43 -7.305 5.561 2.593 1.00 0.00 C ATOM 605 O ALA A 43 -7.248 4.897 3.627 1.00 0.00 O ATOM 606 CB ALA A 43 -5.455 6.627 1.335 1.00 0.00 C ATOM 0 H ALA A 43 -6.889 5.791 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.639 4.520 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.956 6.848 2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.708 6.483 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.106 7.459 1.065 1.00 0.00 H new ATOM 612 N LEU A 44 -8.237 6.485 2.376 1.00 0.00 N ATOM 613 CA LEU A 44 -9.254 6.758 3.379 1.00 0.00 C ATOM 614 C LEU A 44 -9.969 5.468 3.771 1.00 0.00 C ATOM 615 O LEU A 44 -10.305 5.268 4.938 1.00 0.00 O ATOM 616 CB LEU A 44 -10.260 7.786 2.854 1.00 0.00 C ATOM 617 CG LEU A 44 -9.798 9.194 3.250 1.00 0.00 C ATOM 618 CD1 LEU A 44 -8.575 9.581 2.421 1.00 0.00 C ATOM 619 CD2 LEU A 44 -10.925 10.193 2.992 1.00 0.00 C ATOM 0 H LEU A 44 -8.307 7.048 1.528 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.768 7.170 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.344 7.710 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.250 7.586 3.265 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.538 9.206 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.247 10.582 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.770 8.870 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.834 9.568 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.596 11.193 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.186 10.181 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.798 9.918 3.584 1.00 0.00 H new ATOM 631 N LYS A 45 -10.181 4.585 2.797 1.00 0.00 N ATOM 632 CA LYS A 45 -10.836 3.312 3.079 1.00 0.00 C ATOM 633 C LYS A 45 -9.958 2.476 4.001 1.00 0.00 C ATOM 634 O LYS A 45 -10.398 2.032 5.060 1.00 0.00 O ATOM 635 CB LYS A 45 -11.091 2.540 1.781 1.00 0.00 C ATOM 636 CG LYS A 45 -12.591 2.528 1.476 1.00 0.00 C ATOM 637 CD LYS A 45 -13.027 3.918 1.009 1.00 0.00 C ATOM 638 CE LYS A 45 -14.523 3.905 0.689 1.00 0.00 C ATOM 639 NZ LYS A 45 -15.091 2.569 1.027 1.00 0.00 N ATOM 0 H LYS A 45 -9.914 4.724 1.823 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.792 3.513 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.546 3.003 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.721 1.519 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.811 1.788 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.152 2.239 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.817 4.656 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.458 4.211 0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.034 4.683 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.682 4.123 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.101 2.548 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.587 1.832 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.982 2.393 2.046 1.00 0.00 H new ATOM 653 N ALA A 46 -8.709 2.276 3.592 1.00 0.00 N ATOM 654 CA ALA A 46 -7.770 1.503 4.395 1.00 0.00 C ATOM 655 C ALA A 46 -7.655 2.116 5.784 1.00 0.00 C ATOM 656 O ALA A 46 -7.319 1.435 6.754 1.00 0.00 O ATOM 657 CB ALA A 46 -6.395 1.485 3.721 1.00 0.00 C ATOM 0 H ALA A 46 -8.327 2.635 2.717 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.136 0.480 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.700 0.905 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.480 1.032 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.025 2.506 3.621 1.00 0.00 H new ATOM 663 N SER A 47 -7.948 3.409 5.867 1.00 0.00 N ATOM 664 CA SER A 47 -7.889 4.122 7.136 1.00 0.00 C ATOM 665 C SER A 47 -9.250 4.086 7.823 1.00 0.00 C ATOM 666 O SER A 47 -9.389 4.506 8.972 1.00 0.00 O ATOM 667 CB SER A 47 -7.477 5.572 6.898 1.00 0.00 C ATOM 668 OG SER A 47 -8.529 6.254 6.233 1.00 0.00 O ATOM 0 H SER A 47 -8.228 3.983 5.072 1.00 0.00 H new ATOM 0 HA SER A 47 -7.153 3.636 7.776 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.254 6.060 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.567 5.610 6.299 1.00 0.00 H new ATOM 0 HG SER A 47 -9.252 5.624 6.033 1.00 0.00 H new ATOM 674 N ASN A 48 -10.249 3.579 7.107 1.00 0.00 N ATOM 675 CA ASN A 48 -11.601 3.485 7.648 1.00 0.00 C ATOM 676 C ASN A 48 -12.189 4.875 7.884 1.00 0.00 C ATOM 677 O ASN A 48 -12.886 5.107 8.871 1.00 0.00 O ATOM 678 CB ASN A 48 -11.586 2.696 8.958 1.00 0.00 C ATOM 679 CG ASN A 48 -12.007 1.253 8.703 1.00 0.00 C ATOM 680 OD1 ASN A 48 -11.484 0.333 9.333 1.00 0.00 O ATOM 681 ND2 ASN A 48 -12.924 0.997 7.811 1.00 0.00 N ATOM 0 H ASN A 48 -10.149 3.228 6.154 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.226 2.965 6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.588 2.720 9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.261 3.158 9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.209 0.034 7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.356 1.760 7.290 1.00 0.00 H new ATOM 688 N GLY A 49 -11.911 5.793 6.965 1.00 0.00 N ATOM 689 CA GLY A 49 -12.425 7.154 7.075 1.00 0.00 C ATOM 690 C GLY A 49 -11.435 8.066 7.791 1.00 0.00 C ATOM 691 O GLY A 49 -11.461 9.284 7.610 1.00 0.00 O ATOM 0 H GLY A 49 -11.336 5.622 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.631 7.548 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.371 7.145 7.617 1.00 0.00 H new ATOM 695 N ASP A 50 -10.558 7.478 8.596 1.00 0.00 N ATOM 696 CA ASP A 50 -9.565 8.265 9.317 1.00 0.00 C ATOM 697 C ASP A 50 -8.622 8.935 8.325 1.00 0.00 C ATOM 698 O ASP A 50 -7.635 8.340 7.892 1.00 0.00 O ATOM 699 CB ASP A 50 -8.769 7.369 10.267 1.00 0.00 C ATOM 700 CG ASP A 50 -7.669 8.180 10.942 1.00 0.00 C ATOM 701 OD1 ASP A 50 -7.142 9.074 10.299 1.00 0.00 O ATOM 702 OD2 ASP A 50 -7.372 7.898 12.090 1.00 0.00 O ATOM 0 H ASP A 50 -10.513 6.473 8.765 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.076 9.030 9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.432 6.942 11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.333 6.536 9.716 1.00 0.00 H new ATOM 707 N ILE A 51 -8.942 10.170 7.952 1.00 0.00 N ATOM 708 CA ILE A 51 -8.125 10.899 6.990 1.00 0.00 C ATOM 709 C ILE A 51 -6.651 10.872 7.387 1.00 0.00 C ATOM 710 O ILE A 51 -5.807 10.410 6.619 1.00 0.00 O ATOM 711 CB ILE A 51 -8.637 12.344 6.856 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.662 12.730 5.379 1.00 0.00 C ATOM 713 CG2 ILE A 51 -7.737 13.327 7.615 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.401 14.056 5.212 1.00 0.00 C ATOM 0 H ILE A 51 -9.753 10.683 8.298 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.209 10.409 6.020 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.638 12.394 7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.645 12.818 4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.154 11.951 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.126 14.339 7.501 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.720 13.062 8.672 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.725 13.279 7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.419 14.332 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.423 13.952 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.889 14.832 5.781 1.00 0.00 H new ATOM 726 N THR A 52 -6.341 11.361 8.582 1.00 0.00 N ATOM 727 CA THR A 52 -4.962 11.375 9.045 1.00 0.00 C ATOM 728 C THR A 52 -4.275 10.069 8.691 1.00 0.00 C ATOM 729 O THR A 52 -3.220 10.060 8.068 1.00 0.00 O ATOM 730 CB THR A 52 -4.899 11.573 10.554 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.359 12.876 10.884 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.450 11.403 11.008 1.00 0.00 C ATOM 0 H THR A 52 -7.018 11.748 9.240 1.00 0.00 H new ATOM 0 HA THR A 52 -4.454 12.204 8.553 1.00 0.00 H new ATOM 0 HB THR A 52 -5.532 10.840 11.054 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.319 13.001 11.855 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.388 11.542 12.087 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.103 10.402 10.751 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.824 12.143 10.510 1.00 0.00 H new ATOM 740 N GLN A 53 -4.879 8.958 9.086 1.00 0.00 N ATOM 741 CA GLN A 53 -4.292 7.670 8.778 1.00 0.00 C ATOM 742 C GLN A 53 -4.113 7.549 7.274 1.00 0.00 C ATOM 743 O GLN A 53 -3.011 7.302 6.799 1.00 0.00 O ATOM 744 CB GLN A 53 -5.177 6.535 9.287 1.00 0.00 C ATOM 745 CG GLN A 53 -4.584 5.956 10.574 1.00 0.00 C ATOM 746 CD GLN A 53 -5.273 4.641 10.927 1.00 0.00 C ATOM 747 OE1 GLN A 53 -4.660 3.760 11.528 1.00 0.00 O ATOM 748 NE2 GLN A 53 -6.519 4.456 10.588 1.00 0.00 N ATOM 0 H GLN A 53 -5.755 8.924 9.608 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.324 7.596 9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.186 6.903 9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.257 5.756 8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.514 5.792 10.448 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.703 6.668 11.391 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.026 5.187 10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.986 3.580 10.821 1.00 0.00 H new ATOM 757 N ALA A 54 -5.192 7.759 6.523 1.00 0.00 N ATOM 758 CA ALA A 54 -5.107 7.683 5.075 1.00 0.00 C ATOM 759 C ALA A 54 -3.815 8.330 4.638 1.00 0.00 C ATOM 760 O ALA A 54 -2.961 7.702 4.015 1.00 0.00 O ATOM 761 CB ALA A 54 -6.296 8.408 4.442 1.00 0.00 C ATOM 0 H ALA A 54 -6.118 7.979 6.889 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.129 6.641 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.224 8.346 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.224 7.941 4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.288 9.454 4.747 1.00 0.00 H new ATOM 767 N VAL A 55 -3.665 9.578 5.018 1.00 0.00 N ATOM 768 CA VAL A 55 -2.460 10.313 4.719 1.00 0.00 C ATOM 769 C VAL A 55 -1.266 9.451 5.056 1.00 0.00 C ATOM 770 O VAL A 55 -0.475 9.104 4.197 1.00 0.00 O ATOM 771 CB VAL A 55 -2.429 11.588 5.557 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.225 12.436 5.168 1.00 0.00 C ATOM 773 CG2 VAL A 55 -3.718 12.371 5.324 1.00 0.00 C ATOM 0 H VAL A 55 -4.366 10.106 5.537 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.434 10.577 3.662 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.347 11.330 6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.210 13.344 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.310 11.870 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.293 12.701 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.702 13.283 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.801 12.629 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.572 11.761 5.617 1.00 0.00 H new ATOM 783 N SER A 56 -1.172 9.088 6.315 1.00 0.00 N ATOM 784 CA SER A 56 -0.086 8.241 6.783 1.00 0.00 C ATOM 785 C SER A 56 0.182 7.110 5.794 1.00 0.00 C ATOM 786 O SER A 56 1.325 6.870 5.405 1.00 0.00 O ATOM 787 CB SER A 56 -0.440 7.661 8.150 1.00 0.00 C ATOM 788 OG SER A 56 0.744 7.209 8.793 1.00 0.00 O ATOM 0 H SER A 56 -1.834 9.365 7.040 1.00 0.00 H new ATOM 0 HA SER A 56 0.816 8.847 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.933 8.417 8.761 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.143 6.836 8.036 1.00 0.00 H new ATOM 0 HG SER A 56 0.518 6.838 9.671 1.00 0.00 H new ATOM 794 N LEU A 57 -0.875 6.414 5.398 1.00 0.00 N ATOM 795 CA LEU A 57 -0.739 5.303 4.461 1.00 0.00 C ATOM 796 C LEU A 57 -0.155 5.757 3.131 1.00 0.00 C ATOM 797 O LEU A 57 0.608 5.030 2.498 1.00 0.00 O ATOM 798 CB LEU A 57 -2.103 4.657 4.220 1.00 0.00 C ATOM 799 CG LEU A 57 -2.498 3.825 5.440 1.00 0.00 C ATOM 800 CD1 LEU A 57 -3.130 4.728 6.499 1.00 0.00 C ATOM 801 CD2 LEU A 57 -3.505 2.757 5.014 1.00 0.00 C ATOM 0 H LEU A 57 -1.830 6.596 5.707 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.055 4.579 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.853 5.426 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.066 4.025 3.333 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.611 3.349 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.410 4.130 7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.413 5.492 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.018 5.206 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.791 2.160 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.390 3.237 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.054 2.111 4.261 1.00 0.00 H new ATOM 813 N LEU A 58 -0.535 6.947 2.707 1.00 0.00 N ATOM 814 CA LEU A 58 -0.057 7.484 1.430 1.00 0.00 C ATOM 815 C LEU A 58 1.222 8.299 1.591 1.00 0.00 C ATOM 816 O LEU A 58 1.860 8.669 0.607 1.00 0.00 O ATOM 817 CB LEU A 58 -1.122 8.372 0.787 1.00 0.00 C ATOM 818 CG LEU A 58 -2.498 7.709 0.891 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.591 8.743 0.590 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.592 6.560 -0.120 1.00 0.00 C ATOM 0 H LEU A 58 -1.168 7.563 3.217 1.00 0.00 H new ATOM 0 HA LEU A 58 0.154 6.626 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.141 9.344 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.874 8.550 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.635 7.318 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.570 8.270 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.527 9.560 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.453 9.135 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.572 6.089 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.453 6.950 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.818 5.823 0.094 1.00 0.00 H new ATOM 832 N THR A 59 1.578 8.592 2.825 1.00 0.00 N ATOM 833 CA THR A 59 2.769 9.382 3.096 1.00 0.00 C ATOM 834 C THR A 59 3.875 8.505 3.680 1.00 0.00 C ATOM 835 O THR A 59 5.002 8.961 3.873 1.00 0.00 O ATOM 836 CB THR A 59 2.427 10.514 4.071 1.00 0.00 C ATOM 837 OG1 THR A 59 1.958 9.961 5.293 1.00 0.00 O ATOM 838 CG2 THR A 59 1.345 11.417 3.467 1.00 0.00 C ATOM 0 H THR A 59 1.064 8.298 3.656 1.00 0.00 H new ATOM 0 HA THR A 59 3.127 9.808 2.159 1.00 0.00 H new ATOM 0 HB THR A 59 3.322 11.107 4.258 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.740 10.684 5.917 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.108 12.219 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.709 11.846 2.533 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.448 10.829 3.271 1.00 0.00 H new ATOM 846 N ASP A 60 3.543 7.248 3.961 1.00 0.00 N ATOM 847 CA ASP A 60 4.514 6.314 4.523 1.00 0.00 C ATOM 848 C ASP A 60 5.631 6.013 3.523 1.00 0.00 C ATOM 849 O ASP A 60 6.101 4.880 3.430 1.00 0.00 O ATOM 850 CB ASP A 60 3.813 5.010 4.913 1.00 0.00 C ATOM 851 CG ASP A 60 4.283 4.555 6.292 1.00 0.00 C ATOM 852 OD1 ASP A 60 5.372 4.010 6.374 1.00 0.00 O ATOM 853 OD2 ASP A 60 3.548 4.757 7.243 1.00 0.00 O ATOM 0 H ASP A 60 2.614 6.854 3.810 1.00 0.00 H new ATOM 0 HA ASP A 60 4.956 6.774 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.733 5.156 4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.027 4.238 4.174 1.00 0.00 H new ATOM 858 N GLU A 61 6.052 7.037 2.783 1.00 0.00 N ATOM 859 CA GLU A 61 7.120 6.888 1.793 1.00 0.00 C ATOM 860 C GLU A 61 6.664 6.045 0.605 1.00 0.00 C ATOM 861 O GLU A 61 7.032 4.877 0.481 1.00 0.00 O ATOM 862 CB GLU A 61 8.353 6.246 2.435 1.00 0.00 C ATOM 863 CG GLU A 61 9.506 6.248 1.430 1.00 0.00 C ATOM 864 CD GLU A 61 10.832 6.047 2.155 1.00 0.00 C ATOM 865 OE1 GLU A 61 10.917 5.123 2.947 1.00 0.00 O ATOM 866 OE2 GLU A 61 11.744 6.819 1.907 1.00 0.00 O ATOM 0 H GLU A 61 5.670 7.980 2.850 1.00 0.00 H new ATOM 0 HA GLU A 61 7.375 7.884 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.637 6.795 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.127 5.225 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.360 5.456 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.521 7.191 0.883 1.00 0.00 H new ATOM 873 N ARG A 62 5.860 6.648 -0.268 1.00 0.00 N ATOM 874 CA ARG A 62 5.359 5.956 -1.442 1.00 0.00 C ATOM 875 C ARG A 62 5.563 6.800 -2.695 1.00 0.00 C ATOM 876 O ARG A 62 6.640 6.803 -3.291 1.00 0.00 O ATOM 877 CB ARG A 62 3.869 5.646 -1.279 1.00 0.00 C ATOM 878 CG ARG A 62 3.228 6.592 -0.255 1.00 0.00 C ATOM 879 CD ARG A 62 3.099 5.869 1.087 1.00 0.00 C ATOM 880 NE ARG A 62 4.298 5.083 1.363 1.00 0.00 N ATOM 881 CZ ARG A 62 4.296 3.753 1.272 1.00 0.00 C ATOM 882 NH1 ARG A 62 3.220 3.120 0.890 1.00 0.00 N ATOM 883 NH2 ARG A 62 5.377 3.081 1.555 1.00 0.00 N ATOM 0 H ARG A 62 5.544 7.614 -0.180 1.00 0.00 H new ATOM 0 HA ARG A 62 5.916 5.025 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.364 5.746 -2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.740 4.613 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.836 7.489 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.247 6.914 -0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.942 6.595 1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.225 5.217 1.073 1.00 0.00 H new ATOM 0 HE ARG A 62 5.157 5.563 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.375 3.643 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.224 2.102 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.222 3.573 1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.378 2.063 1.486 1.00 0.00 H new ATOM 897 N VAL A 63 4.514 7.502 -3.089 1.00 0.00 N ATOM 898 CA VAL A 63 4.561 8.344 -4.279 1.00 0.00 C ATOM 899 C VAL A 63 5.468 9.545 -4.070 1.00 0.00 C ATOM 900 O VAL A 63 6.187 9.965 -4.976 1.00 0.00 O ATOM 901 CB VAL A 63 3.150 8.829 -4.625 1.00 0.00 C ATOM 902 CG1 VAL A 63 2.687 8.184 -5.933 1.00 0.00 C ATOM 903 CG2 VAL A 63 2.191 8.444 -3.497 1.00 0.00 C ATOM 0 H VAL A 63 3.617 7.507 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 63 4.962 7.747 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 63 3.159 9.912 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.683 8.532 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.370 8.460 -6.736 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.678 7.100 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.186 8.788 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.185 7.360 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.518 8.909 -2.567 1.00 0.00 H new ATOM 913 N LYS A 64 5.416 10.095 -2.874 1.00 0.00 N ATOM 914 CA LYS A 64 6.223 11.262 -2.542 1.00 0.00 C ATOM 915 C LYS A 64 5.668 12.499 -3.245 1.00 0.00 C ATOM 916 O LYS A 64 4.659 12.422 -3.947 1.00 0.00 O ATOM 917 CB LYS A 64 7.676 11.033 -2.966 1.00 0.00 C ATOM 918 CG LYS A 64 8.617 11.643 -1.925 1.00 0.00 C ATOM 919 CD LYS A 64 8.833 10.648 -0.781 1.00 0.00 C ATOM 920 CE LYS A 64 9.587 11.335 0.359 1.00 0.00 C ATOM 921 NZ LYS A 64 10.822 11.978 -0.175 1.00 0.00 N ATOM 0 H LYS A 64 4.826 9.757 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 64 6.187 11.419 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.872 9.966 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.856 11.484 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.572 11.895 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.195 12.571 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.873 10.275 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.397 9.786 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.950 12.083 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.847 10.607 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.478 12.174 0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.278 11.340 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.572 12.870 -0.649 1.00 0.00 H new ATOM 935 N GLU A 65 6.325 13.638 -3.050 1.00 0.00 N ATOM 936 CA GLU A 65 5.876 14.880 -3.672 1.00 0.00 C ATOM 937 C GLU A 65 6.968 15.469 -4.564 1.00 0.00 C ATOM 938 O GLU A 65 7.793 16.263 -4.111 1.00 0.00 O ATOM 939 CB GLU A 65 5.498 15.898 -2.592 1.00 0.00 C ATOM 940 CG GLU A 65 4.167 15.503 -1.946 1.00 0.00 C ATOM 941 CD GLU A 65 4.416 14.834 -0.599 1.00 0.00 C ATOM 942 OE1 GLU A 65 4.721 13.653 -0.594 1.00 0.00 O ATOM 943 OE2 GLU A 65 4.298 15.513 0.408 1.00 0.00 O ATOM 0 H GLU A 65 7.161 13.728 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 65 5.005 14.656 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.280 15.945 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.419 16.893 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.543 16.386 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.622 14.824 -2.603 1.00 0.00 H new ATOM 950 N PRO A 66 6.977 15.099 -5.818 1.00 0.00 N ATOM 951 CA PRO A 66 7.972 15.595 -6.804 1.00 0.00 C ATOM 952 C PRO A 66 7.563 16.937 -7.410 1.00 0.00 C ATOM 953 O PRO A 66 6.798 17.692 -6.810 1.00 0.00 O ATOM 954 CB PRO A 66 7.982 14.498 -7.866 1.00 0.00 C ATOM 955 CG PRO A 66 6.610 13.901 -7.834 1.00 0.00 C ATOM 956 CD PRO A 66 6.033 14.157 -6.434 1.00 0.00 C ATOM 0 HA PRO A 66 8.948 15.778 -6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.210 14.906 -8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.742 13.748 -7.649 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.977 14.351 -8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.651 12.832 -8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.029 14.579 -6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.960 13.234 -5.859 1.00 0.00 H new ATOM 964 N SER A 67 8.075 17.224 -8.602 1.00 0.00 N ATOM 965 CA SER A 67 7.755 18.475 -9.282 1.00 0.00 C ATOM 966 C SER A 67 7.509 19.593 -8.274 1.00 0.00 C ATOM 967 O SER A 67 7.983 19.534 -7.139 1.00 0.00 O ATOM 968 CB SER A 67 6.511 18.294 -10.153 1.00 0.00 C ATOM 969 OG SER A 67 5.353 18.578 -9.378 1.00 0.00 O ATOM 0 H SER A 67 8.709 16.612 -9.115 1.00 0.00 H new ATOM 0 HA SER A 67 8.604 18.748 -9.909 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.557 18.958 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.466 17.275 -10.536 1.00 0.00 H new ATOM 0 HG SER A 67 4.553 18.465 -9.932 1.00 0.00 H new ATOM 975 N GLN A 68 6.766 20.610 -8.698 1.00 0.00 N ATOM 976 CA GLN A 68 6.461 21.739 -7.827 1.00 0.00 C ATOM 977 C GLN A 68 5.020 22.202 -8.033 1.00 0.00 C ATOM 978 O GLN A 68 4.140 21.402 -8.352 1.00 0.00 O ATOM 979 CB GLN A 68 7.419 22.895 -8.118 1.00 0.00 C ATOM 980 CG GLN A 68 8.862 22.388 -8.076 1.00 0.00 C ATOM 981 CD GLN A 68 9.780 23.470 -7.518 1.00 0.00 C ATOM 982 OE1 GLN A 68 10.654 23.182 -6.700 1.00 0.00 O ATOM 983 NE2 GLN A 68 9.633 24.704 -7.913 1.00 0.00 N ATOM 0 H GLN A 68 6.366 20.676 -9.634 1.00 0.00 H new ATOM 0 HA GLN A 68 6.582 21.419 -6.792 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.202 23.323 -9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.280 23.689 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.924 21.493 -7.457 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.186 22.106 -9.078 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.908 24.940 -8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.243 25.434 -7.544 1.00 0.00 H new ATOM 992 N ASP A 69 4.785 23.499 -7.846 1.00 0.00 N ATOM 993 CA ASP A 69 3.447 24.056 -8.013 1.00 0.00 C ATOM 994 C ASP A 69 3.393 24.973 -9.225 1.00 0.00 C ATOM 995 O ASP A 69 2.320 25.267 -9.749 1.00 0.00 O ATOM 996 CB ASP A 69 3.050 24.843 -6.763 1.00 0.00 C ATOM 997 CG ASP A 69 2.345 23.927 -5.768 1.00 0.00 C ATOM 998 OD1 ASP A 69 1.408 23.257 -6.169 1.00 0.00 O ATOM 999 OD2 ASP A 69 2.753 23.910 -4.618 1.00 0.00 O ATOM 0 H ASP A 69 5.498 24.178 -7.581 1.00 0.00 H new ATOM 0 HA ASP A 69 2.750 23.232 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.936 25.280 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.393 25.669 -7.037 1.00 0.00 H new ATOM 1004 N THR A 70 4.566 25.415 -9.649 1.00 0.00 N ATOM 1005 CA THR A 70 4.697 26.309 -10.802 1.00 0.00 C ATOM 1006 C THR A 70 3.420 26.341 -11.636 1.00 0.00 C ATOM 1007 O THR A 70 2.400 26.883 -11.214 1.00 0.00 O ATOM 1008 CB THR A 70 5.861 25.849 -11.681 1.00 0.00 C ATOM 1009 OG1 THR A 70 5.592 24.546 -12.177 1.00 0.00 O ATOM 1010 CG2 THR A 70 7.148 25.826 -10.857 1.00 0.00 C ATOM 0 H THR A 70 5.453 25.169 -9.210 1.00 0.00 H new ATOM 0 HA THR A 70 4.884 27.314 -10.424 1.00 0.00 H new ATOM 0 HB THR A 70 5.979 26.539 -12.516 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.336 24.251 -12.742 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.976 25.498 -11.485 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.355 26.827 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.032 25.137 -10.020 1.00 0.00 H new ATOM 1018 N VAL A 71 3.494 25.763 -12.828 1.00 0.00 N ATOM 1019 CA VAL A 71 2.346 25.731 -13.725 1.00 0.00 C ATOM 1020 C VAL A 71 2.261 24.390 -14.442 1.00 0.00 C ATOM 1021 O VAL A 71 2.970 23.443 -14.102 1.00 0.00 O ATOM 1022 CB VAL A 71 2.459 26.845 -14.768 1.00 0.00 C ATOM 1023 CG1 VAL A 71 2.739 28.178 -14.073 1.00 0.00 C ATOM 1024 CG2 VAL A 71 3.604 26.523 -15.731 1.00 0.00 C ATOM 0 H VAL A 71 4.332 25.312 -13.195 1.00 0.00 H new ATOM 0 HA VAL A 71 1.447 25.877 -13.126 1.00 0.00 H new ATOM 0 HB VAL A 71 1.523 26.918 -15.321 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.819 28.968 -14.820 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.924 28.408 -13.386 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.674 28.109 -13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.687 27.315 -16.475 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.538 26.449 -15.174 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.404 25.575 -16.231 1.00 0.00 H new ATOM 1034 N ALA A 72 1.395 24.324 -15.445 1.00 0.00 N ATOM 1035 CA ALA A 72 1.226 23.104 -16.220 1.00 0.00 C ATOM 1036 C ALA A 72 1.869 23.269 -17.586 1.00 0.00 C ATOM 1037 O ALA A 72 2.366 22.313 -18.180 1.00 0.00 O ATOM 1038 CB ALA A 72 -0.259 22.799 -16.393 1.00 0.00 C ATOM 0 H ALA A 72 0.801 25.099 -15.740 1.00 0.00 H new ATOM 0 HA ALA A 72 1.704 22.280 -15.690 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.377 21.884 -16.974 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.720 22.669 -15.414 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.742 23.625 -16.915 1.00 0.00 H new ATOM 1044 N THR A 73 1.844 24.499 -18.064 1.00 0.00 N ATOM 1045 CA THR A 73 2.420 24.828 -19.362 1.00 0.00 C ATOM 1046 C THR A 73 3.499 23.820 -19.742 1.00 0.00 C ATOM 1047 O THR A 73 3.263 22.918 -20.547 1.00 0.00 O ATOM 1048 CB THR A 73 3.022 26.235 -19.326 1.00 0.00 C ATOM 1049 OG1 THR A 73 2.009 27.173 -18.994 1.00 0.00 O ATOM 1050 CG2 THR A 73 3.605 26.573 -20.699 1.00 0.00 C ATOM 0 H THR A 73 1.430 25.292 -17.574 1.00 0.00 H new ATOM 0 HA THR A 73 1.627 24.792 -20.109 1.00 0.00 H new ATOM 0 HB THR A 73 3.813 26.276 -18.577 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.393 28.074 -18.969 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.034 27.575 -20.675 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.382 25.851 -20.952 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.815 26.534 -21.449 1.00 0.00 H new ATOM 1058 N GLU A 74 4.680 23.975 -19.155 1.00 0.00 N ATOM 1059 CA GLU A 74 5.787 23.068 -19.438 1.00 0.00 C ATOM 1060 C GLU A 74 6.363 22.512 -18.137 1.00 0.00 C ATOM 1061 O GLU A 74 6.405 23.204 -17.121 1.00 0.00 O ATOM 1062 CB GLU A 74 6.882 23.803 -20.213 1.00 0.00 C ATOM 1063 CG GLU A 74 7.677 24.690 -19.254 1.00 0.00 C ATOM 1064 CD GLU A 74 6.731 25.621 -18.503 1.00 0.00 C ATOM 1065 OE1 GLU A 74 5.935 26.276 -19.156 1.00 0.00 O ATOM 1066 OE2 GLU A 74 6.817 25.664 -17.287 1.00 0.00 O ATOM 0 H GLU A 74 4.895 24.714 -18.485 1.00 0.00 H new ATOM 0 HA GLU A 74 5.413 22.241 -20.042 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.545 23.085 -20.696 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.439 24.409 -21.003 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.230 24.072 -18.547 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.411 25.274 -19.809 1.00 0.00 H new ATOM 1073 N PRO A 75 6.803 21.282 -18.154 1.00 0.00 N ATOM 1074 CA PRO A 75 7.389 20.620 -16.952 1.00 0.00 C ATOM 1075 C PRO A 75 8.744 21.212 -16.570 1.00 0.00 C ATOM 1076 O PRO A 75 9.486 21.694 -17.426 1.00 0.00 O ATOM 1077 CB PRO A 75 7.529 19.154 -17.365 1.00 0.00 C ATOM 1078 CG PRO A 75 7.564 19.156 -18.859 1.00 0.00 C ATOM 1079 CD PRO A 75 6.788 20.388 -19.322 1.00 0.00 C ATOM 0 HA PRO A 75 6.763 20.756 -16.070 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.438 18.716 -16.953 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.693 18.561 -16.994 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.592 19.189 -19.221 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.115 18.246 -19.257 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.260 20.854 -20.187 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.770 20.131 -19.614 1.00 0.00 H new ATOM 1087 N SER A 76 9.059 21.170 -15.280 1.00 0.00 N ATOM 1088 CA SER A 76 10.325 21.705 -14.794 1.00 0.00 C ATOM 1089 C SER A 76 10.842 20.885 -13.618 1.00 0.00 C ATOM 1090 O SER A 76 11.456 21.423 -12.697 1.00 0.00 O ATOM 1091 CB SER A 76 10.142 23.160 -14.359 1.00 0.00 C ATOM 1092 OG SER A 76 11.399 23.692 -13.962 1.00 0.00 O ATOM 0 H SER A 76 8.459 20.774 -14.556 1.00 0.00 H new ATOM 0 HA SER A 76 11.052 21.653 -15.604 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.728 23.747 -15.178 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.432 23.219 -13.534 1.00 0.00 H new ATOM 0 HG SER A 76 11.808 23.102 -13.295 1.00 0.00 H new ATOM 1098 N GLU A 77 10.588 19.581 -13.654 1.00 0.00 N ATOM 1099 CA GLU A 77 11.033 18.698 -12.583 1.00 0.00 C ATOM 1100 C GLU A 77 12.342 19.191 -11.986 1.00 0.00 C ATOM 1101 O GLU A 77 12.615 18.994 -10.803 1.00 0.00 O ATOM 1102 CB GLU A 77 11.220 17.278 -13.119 1.00 0.00 C ATOM 1103 CG GLU A 77 9.867 16.565 -13.158 1.00 0.00 C ATOM 1104 CD GLU A 77 10.073 15.065 -13.335 1.00 0.00 C ATOM 1105 OE1 GLU A 77 11.080 14.689 -13.912 1.00 0.00 O ATOM 1106 OE2 GLU A 77 9.221 14.313 -12.888 1.00 0.00 O ATOM 0 H GLU A 77 10.081 19.116 -14.407 1.00 0.00 H new ATOM 0 HA GLU A 77 10.271 18.696 -11.804 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.655 17.309 -14.118 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.915 16.727 -12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.318 16.759 -12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.264 16.957 -13.977 1.00 0.00 H new ATOM 1113 N VAL A 78 13.147 19.825 -12.820 1.00 0.00 N ATOM 1114 CA VAL A 78 14.435 20.339 -12.384 1.00 0.00 C ATOM 1115 C VAL A 78 14.854 21.549 -13.209 1.00 0.00 C ATOM 1116 O VAL A 78 14.518 22.686 -12.878 1.00 0.00 O ATOM 1117 CB VAL A 78 15.479 19.232 -12.502 1.00 0.00 C ATOM 1118 CG1 VAL A 78 15.404 18.589 -13.890 1.00 0.00 C ATOM 1119 CG2 VAL A 78 16.877 19.812 -12.277 1.00 0.00 C ATOM 0 H VAL A 78 12.933 19.997 -13.802 1.00 0.00 H new ATOM 0 HA VAL A 78 14.352 20.661 -11.346 1.00 0.00 H new ATOM 0 HB VAL A 78 15.279 18.473 -11.746 1.00 0.00 H new ATOM 0 HG11 VAL A 78 16.152 17.800 -13.966 1.00 0.00 H new ATOM 0 HG12 VAL A 78 14.412 18.164 -14.041 1.00 0.00 H new ATOM 0 HG13 VAL A 78 15.595 19.345 -14.652 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.619 19.018 -12.362 1.00 0.00 H new ATOM 0 HG22 VAL A 78 17.078 20.578 -13.026 1.00 0.00 H new ATOM 0 HG23 VAL A 78 16.932 20.254 -11.282 1.00 0.00 H new ATOM 1129 N GLU A 79 15.594 21.288 -14.273 1.00 0.00 N ATOM 1130 CA GLU A 79 16.078 22.346 -15.158 1.00 0.00 C ATOM 1131 C GLU A 79 15.232 23.609 -15.028 1.00 0.00 C ATOM 1132 O GLU A 79 14.017 23.544 -14.843 1.00 0.00 O ATOM 1133 CB GLU A 79 16.052 21.864 -16.608 1.00 0.00 C ATOM 1134 CG GLU A 79 16.884 20.586 -16.739 1.00 0.00 C ATOM 1135 CD GLU A 79 17.128 20.274 -18.211 1.00 0.00 C ATOM 1136 OE1 GLU A 79 16.277 20.612 -19.017 1.00 0.00 O ATOM 1137 OE2 GLU A 79 18.163 19.701 -18.511 1.00 0.00 O ATOM 0 H GLU A 79 15.877 20.348 -14.550 1.00 0.00 H new ATOM 0 HA GLU A 79 17.100 22.585 -14.866 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.025 21.675 -16.921 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.448 22.637 -17.266 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.836 20.707 -16.221 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.365 19.754 -16.263 1.00 0.00 H new ATOM 1144 N GLY A 80 15.890 24.758 -15.136 1.00 0.00 N ATOM 1145 CA GLY A 80 15.203 26.040 -15.033 1.00 0.00 C ATOM 1146 C GLY A 80 16.129 27.181 -15.444 1.00 0.00 C ATOM 1147 O GLY A 80 17.352 27.036 -15.422 1.00 0.00 O ATOM 0 H GLY A 80 16.895 24.828 -15.294 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.318 26.036 -15.669 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.860 26.194 -14.010 1.00 0.00 H new ATOM 1151 N SER A 81 15.544 28.312 -15.823 1.00 0.00 N ATOM 1152 CA SER A 81 16.333 29.464 -16.241 1.00 0.00 C ATOM 1153 C SER A 81 16.127 30.641 -15.291 1.00 0.00 C ATOM 1154 O SER A 81 15.343 30.561 -14.345 1.00 0.00 O ATOM 1155 CB SER A 81 15.936 29.876 -17.657 1.00 0.00 C ATOM 1156 OG SER A 81 14.528 29.745 -17.804 1.00 0.00 O ATOM 0 H SER A 81 14.534 28.455 -15.849 1.00 0.00 H new ATOM 0 HA SER A 81 17.386 29.182 -16.221 1.00 0.00 H new ATOM 0 HB2 SER A 81 16.239 30.905 -17.848 1.00 0.00 H new ATOM 0 HB3 SER A 81 16.450 29.252 -18.388 1.00 0.00 H new ATOM 0 HG SER A 81 14.268 30.010 -18.711 1.00 0.00 H new ATOM 1162 N ALA A 82 16.844 31.732 -15.550 1.00 0.00 N ATOM 1163 CA ALA A 82 16.747 32.920 -14.720 1.00 0.00 C ATOM 1164 C ALA A 82 15.391 33.598 -14.892 1.00 0.00 C ATOM 1165 O ALA A 82 14.360 33.061 -14.487 1.00 0.00 O ATOM 1166 CB ALA A 82 17.860 33.900 -15.089 1.00 0.00 C ATOM 0 H ALA A 82 17.497 31.813 -16.329 1.00 0.00 H new ATOM 0 HA ALA A 82 16.852 32.619 -13.678 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.783 34.790 -14.464 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.829 33.427 -14.930 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.763 34.183 -16.137 1.00 0.00 H new ATOM 1172 N ALA A 83 15.402 34.785 -15.493 1.00 0.00 N ATOM 1173 CA ALA A 83 14.168 35.532 -15.711 1.00 0.00 C ATOM 1174 C ALA A 83 14.254 36.346 -16.998 1.00 0.00 C ATOM 1175 O ALA A 83 15.125 36.113 -17.835 1.00 0.00 O ATOM 1176 CB ALA A 83 13.911 36.466 -14.527 1.00 0.00 C ATOM 0 H ALA A 83 16.245 35.247 -15.835 1.00 0.00 H new ATOM 0 HA ALA A 83 13.345 34.823 -15.800 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.988 37.021 -14.695 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.820 35.879 -13.613 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.742 37.165 -14.428 1.00 0.00 H new ATOM 1182 N ASN A 84 13.343 37.304 -17.146 1.00 0.00 N ATOM 1183 CA ASN A 84 13.322 38.152 -18.334 1.00 0.00 C ATOM 1184 C ASN A 84 14.645 38.894 -18.483 1.00 0.00 C ATOM 1185 O ASN A 84 14.805 39.727 -19.375 1.00 0.00 O ATOM 1186 CB ASN A 84 12.178 39.166 -18.228 1.00 0.00 C ATOM 1187 CG ASN A 84 11.268 39.064 -19.448 1.00 0.00 C ATOM 1188 OD1 ASN A 84 10.443 38.154 -19.534 1.00 0.00 O ATOM 1189 ND2 ASN A 84 11.366 39.950 -20.401 1.00 0.00 N ATOM 0 H ASN A 84 12.614 37.512 -16.463 1.00 0.00 H new ATOM 0 HA ASN A 84 13.171 37.520 -19.209 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.603 38.983 -17.320 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.583 40.175 -18.151 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.759 39.889 -21.218 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.050 40.703 -20.329 1.00 0.00 H new ATOM 1196 N LYS A 85 15.588 38.589 -17.600 1.00 0.00 N ATOM 1197 CA LYS A 85 16.893 39.238 -17.634 1.00 0.00 C ATOM 1198 C LYS A 85 17.717 38.742 -18.816 1.00 0.00 C ATOM 1199 O LYS A 85 17.344 37.784 -19.493 1.00 0.00 O ATOM 1200 CB LYS A 85 17.646 38.955 -16.333 1.00 0.00 C ATOM 1201 CG LYS A 85 17.677 40.220 -15.474 1.00 0.00 C ATOM 1202 CD LYS A 85 18.220 39.878 -14.086 1.00 0.00 C ATOM 1203 CE LYS A 85 19.701 40.252 -14.005 1.00 0.00 C ATOM 1204 NZ LYS A 85 20.148 40.193 -12.585 1.00 0.00 N ATOM 0 H LYS A 85 15.475 37.901 -16.856 1.00 0.00 H new ATOM 0 HA LYS A 85 16.738 40.311 -17.744 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.160 38.145 -15.789 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.662 38.627 -16.553 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.303 40.978 -15.945 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.675 40.641 -15.391 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.657 40.415 -13.322 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.092 38.814 -13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.294 39.569 -14.613 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.857 41.253 -14.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.112 40.576 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.504 40.757 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.141 39.205 -12.259 1.00 0.00 H new ATOM 1218 N GLU A 86 18.845 39.402 -19.050 1.00 0.00 N ATOM 1219 CA GLU A 86 19.731 39.026 -20.144 1.00 0.00 C ATOM 1220 C GLU A 86 21.100 38.642 -19.600 1.00 0.00 C ATOM 1221 O GLU A 86 22.013 38.314 -20.357 1.00 0.00 O ATOM 1222 CB GLU A 86 19.878 40.188 -21.128 1.00 0.00 C ATOM 1223 CG GLU A 86 21.087 39.940 -22.031 1.00 0.00 C ATOM 1224 CD GLU A 86 20.973 40.783 -23.297 1.00 0.00 C ATOM 1225 OE1 GLU A 86 20.924 41.996 -23.174 1.00 0.00 O ATOM 1226 OE2 GLU A 86 20.939 40.204 -24.370 1.00 0.00 O ATOM 0 H GLU A 86 19.167 40.198 -18.499 1.00 0.00 H new ATOM 0 HA GLU A 86 19.298 38.171 -20.663 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.975 40.285 -21.730 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.002 41.125 -20.585 1.00 0.00 H new ATOM 0 HG2 GLU A 86 22.006 40.189 -21.500 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.146 38.883 -22.292 1.00 0.00 H new ATOM 1233 N VAL A 87 21.232 38.685 -18.278 1.00 0.00 N ATOM 1234 CA VAL A 87 22.493 38.342 -17.636 1.00 0.00 C ATOM 1235 C VAL A 87 22.289 37.220 -16.624 1.00 0.00 C ATOM 1236 O VAL A 87 21.195 36.669 -16.503 1.00 0.00 O ATOM 1237 CB VAL A 87 23.064 39.569 -16.925 1.00 0.00 C ATOM 1238 CG1 VAL A 87 24.537 39.332 -16.580 1.00 0.00 C ATOM 1239 CG2 VAL A 87 22.943 40.788 -17.842 1.00 0.00 C ATOM 0 H VAL A 87 20.486 38.952 -17.635 1.00 0.00 H new ATOM 0 HA VAL A 87 23.191 38.005 -18.403 1.00 0.00 H new ATOM 0 HB VAL A 87 22.506 39.745 -16.005 1.00 0.00 H new ATOM 0 HG11 VAL A 87 24.938 40.210 -16.074 1.00 0.00 H new ATOM 0 HG12 VAL A 87 24.622 38.465 -15.925 1.00 0.00 H new ATOM 0 HG13 VAL A 87 25.101 39.152 -17.495 1.00 0.00 H new ATOM 0 HG21 VAL A 87 23.349 41.665 -17.338 1.00 0.00 H new ATOM 0 HG22 VAL A 87 23.500 40.608 -18.762 1.00 0.00 H new ATOM 0 HG23 VAL A 87 21.894 40.961 -18.081 1.00 0.00 H new ATOM 1249 N LEU A 88 23.350 36.896 -15.897 1.00 0.00 N ATOM 1250 CA LEU A 88 23.284 35.845 -14.891 1.00 0.00 C ATOM 1251 C LEU A 88 23.381 36.449 -13.502 1.00 0.00 C ATOM 1252 O LEU A 88 22.820 35.934 -12.535 1.00 0.00 O ATOM 1253 CB LEU A 88 24.431 34.859 -15.097 1.00 0.00 C ATOM 1254 CG LEU A 88 24.490 33.899 -13.911 1.00 0.00 C ATOM 1255 CD1 LEU A 88 23.133 33.214 -13.745 1.00 0.00 C ATOM 1256 CD2 LEU A 88 25.568 32.844 -14.163 1.00 0.00 C ATOM 0 H LEU A 88 24.262 37.343 -15.984 1.00 0.00 H new ATOM 0 HA LEU A 88 22.333 35.322 -14.990 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.286 34.303 -16.023 1.00 0.00 H new ATOM 0 HB3 LEU A 88 25.375 35.396 -15.192 1.00 0.00 H new ATOM 0 HG LEU A 88 24.731 34.453 -13.004 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.173 32.528 -12.899 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.365 33.967 -13.566 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.893 32.658 -14.651 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.611 32.158 -13.317 1.00 0.00 H new ATOM 0 HD22 LEU A 88 25.328 32.288 -15.069 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.535 33.333 -14.283 1.00 0.00 H new ATOM 1268 N ALA A 89 24.099 37.551 -13.427 1.00 0.00 N ATOM 1269 CA ALA A 89 24.286 38.256 -12.175 1.00 0.00 C ATOM 1270 C ALA A 89 25.370 37.583 -11.338 1.00 0.00 C ATOM 1271 O ALA A 89 25.821 36.484 -11.660 1.00 0.00 O ATOM 1272 CB ALA A 89 22.971 38.277 -11.412 1.00 0.00 C ATOM 0 H ALA A 89 24.566 37.981 -14.225 1.00 0.00 H new ATOM 0 HA ALA A 89 24.603 39.278 -12.383 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.106 38.806 -10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 89 22.213 38.785 -12.008 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.650 37.255 -11.212 1.00 0.00 H new ATOM 1278 N LYS A 90 25.790 38.251 -10.269 1.00 0.00 N ATOM 1279 CA LYS A 90 26.829 37.705 -9.404 1.00 0.00 C ATOM 1280 C LYS A 90 26.223 37.050 -8.167 1.00 0.00 C ATOM 1281 O LYS A 90 25.524 37.696 -7.388 1.00 0.00 O ATOM 1282 CB LYS A 90 27.788 38.816 -8.975 1.00 0.00 C ATOM 1283 CG LYS A 90 29.232 38.335 -9.132 1.00 0.00 C ATOM 1284 CD LYS A 90 29.647 38.414 -10.602 1.00 0.00 C ATOM 1285 CE LYS A 90 29.561 39.864 -11.085 1.00 0.00 C ATOM 1286 NZ LYS A 90 29.750 40.787 -9.929 1.00 0.00 N ATOM 0 H LYS A 90 25.431 39.162 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 90 27.374 36.947 -9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 90 27.623 39.707 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 90 27.597 39.095 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 90 29.897 38.947 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 90 29.325 37.310 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 90 30.663 38.040 -10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 90 28.999 37.780 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 90 30.323 40.052 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 90 28.594 40.045 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 29.912 41.753 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 28.899 40.773 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 30.571 40.479 -9.370 1.00 0.00 H new ATOM 1300 N VAL A 91 26.504 35.761 -7.994 1.00 0.00 N ATOM 1301 CA VAL A 91 25.992 35.023 -6.846 1.00 0.00 C ATOM 1302 C VAL A 91 26.529 33.596 -6.838 1.00 0.00 C ATOM 1303 O VAL A 91 25.894 32.687 -6.306 1.00 0.00 O ATOM 1304 CB VAL A 91 24.463 34.992 -6.880 1.00 0.00 C ATOM 1305 CG1 VAL A 91 23.995 33.873 -7.812 1.00 0.00 C ATOM 1306 CG2 VAL A 91 23.929 34.734 -5.469 1.00 0.00 C ATOM 0 H VAL A 91 27.080 35.210 -8.631 1.00 0.00 H new ATOM 0 HA VAL A 91 26.325 35.529 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 91 24.088 35.949 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.905 33.851 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 91 24.377 34.053 -8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 91 24.369 32.916 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 91 22.839 34.712 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 91 24.305 33.777 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 91 24.262 35.530 -4.803 1.00 0.00 H new ATOM 1316 N ILE A 92 27.706 33.405 -7.429 1.00 0.00 N ATOM 1317 CA ILE A 92 28.316 32.081 -7.476 1.00 0.00 C ATOM 1318 C ILE A 92 27.992 31.303 -6.206 1.00 0.00 C ATOM 1319 O ILE A 92 27.998 31.861 -5.108 1.00 0.00 O ATOM 1320 CB ILE A 92 29.833 32.204 -7.630 1.00 0.00 C ATOM 1321 CG1 ILE A 92 30.287 33.584 -7.149 1.00 0.00 C ATOM 1322 CG2 ILE A 92 30.216 32.034 -9.100 1.00 0.00 C ATOM 1323 CD1 ILE A 92 31.809 33.680 -7.247 1.00 0.00 C ATOM 0 H ILE A 92 28.251 34.142 -7.877 1.00 0.00 H new ATOM 0 HA ILE A 92 27.911 31.545 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 92 30.317 31.430 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 92 29.823 34.363 -7.754 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.967 33.746 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 92 31.297 32.122 -9.207 1.00 0.00 H new ATOM 0 HG22 ILE A 92 29.896 31.052 -9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 92 29.729 32.807 -9.695 1.00 0.00 H new ATOM 0 HD11 ILE A 92 32.134 34.662 -6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 92 32.263 32.910 -6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 92 32.117 33.536 -8.283 1.00 0.00 H new ATOM 1335 N ASP A 93 27.705 30.016 -6.361 1.00 0.00 N ATOM 1336 CA ASP A 93 27.374 29.176 -5.218 1.00 0.00 C ATOM 1337 C ASP A 93 26.948 27.792 -5.686 1.00 0.00 C ATOM 1338 O ASP A 93 25.770 27.549 -5.951 1.00 0.00 O ATOM 1339 CB ASP A 93 26.245 29.819 -4.413 1.00 0.00 C ATOM 1340 CG ASP A 93 26.644 29.932 -2.945 1.00 0.00 C ATOM 1341 OD1 ASP A 93 27.765 30.338 -2.686 1.00 0.00 O ATOM 1342 OD2 ASP A 93 25.823 29.610 -2.102 1.00 0.00 O ATOM 0 H ASP A 93 27.695 29.535 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 93 28.257 29.078 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 93 26.020 30.807 -4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.337 29.223 -4.506 1.00 0.00 H new ATOM 1347 N LEU A 94 27.915 26.891 -5.789 1.00 0.00 N ATOM 1348 CA LEU A 94 27.636 25.533 -6.228 1.00 0.00 C ATOM 1349 C LEU A 94 27.482 24.607 -5.033 1.00 0.00 C ATOM 1350 O LEU A 94 26.385 24.428 -4.504 1.00 0.00 O ATOM 1351 CB LEU A 94 28.773 25.038 -7.126 1.00 0.00 C ATOM 1352 CG LEU A 94 28.288 24.964 -8.576 1.00 0.00 C ATOM 1353 CD1 LEU A 94 27.312 23.796 -8.724 1.00 0.00 C ATOM 1354 CD2 LEU A 94 27.583 26.270 -8.947 1.00 0.00 C ATOM 0 H LEU A 94 28.895 27.076 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 94 26.702 25.532 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 94 29.628 25.711 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 94 29.111 24.056 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 94 29.140 24.813 -9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 94 26.965 23.741 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 94 27.815 22.866 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 94 26.460 23.948 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 94 27.238 26.217 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 94 26.729 26.423 -8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 94 28.279 27.102 -8.840 1.00 0.00 H new ATOM 1366 N THR A 95 28.589 24.021 -4.618 1.00 0.00 N ATOM 1367 CA THR A 95 28.586 23.105 -3.485 1.00 0.00 C ATOM 1368 C THR A 95 29.922 23.151 -2.751 1.00 0.00 C ATOM 1369 O THR A 95 30.494 24.222 -2.550 1.00 0.00 O ATOM 1370 CB THR A 95 28.322 21.680 -3.972 1.00 0.00 C ATOM 1371 OG1 THR A 95 28.297 20.798 -2.859 1.00 0.00 O ATOM 1372 CG2 THR A 95 29.428 21.254 -4.938 1.00 0.00 C ATOM 0 H THR A 95 29.504 24.161 -5.046 1.00 0.00 H new ATOM 0 HA THR A 95 27.797 23.410 -2.797 1.00 0.00 H new ATOM 0 HB THR A 95 27.362 21.645 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A 95 28.663 19.928 -3.123 1.00 0.00 H new ATOM 0 HG21 THR A 95 29.238 20.238 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 95 29.445 21.931 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 95 30.390 21.289 -4.428 1.00 0.00 H new ATOM 1380 N HIS A 96 30.413 21.982 -2.358 1.00 0.00 N ATOM 1381 CA HIS A 96 31.684 21.899 -1.649 1.00 0.00 C ATOM 1382 C HIS A 96 32.753 22.705 -2.380 1.00 0.00 C ATOM 1383 O HIS A 96 32.450 23.467 -3.298 1.00 0.00 O ATOM 1384 CB HIS A 96 32.124 20.437 -1.543 1.00 0.00 C ATOM 1385 CG HIS A 96 32.414 20.094 -0.106 1.00 0.00 C ATOM 1386 ND1 HIS A 96 31.537 19.349 0.669 1.00 0.00 N ATOM 1387 CD2 HIS A 96 33.481 20.383 0.708 1.00 0.00 C ATOM 1388 CE1 HIS A 96 32.089 19.216 1.889 1.00 0.00 C ATOM 1389 NE2 HIS A 96 33.275 19.826 1.967 1.00 0.00 N ATOM 0 H HIS A 96 29.955 21.085 -2.517 1.00 0.00 H new ATOM 0 HA HIS A 96 31.554 22.312 -0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 96 31.343 19.784 -1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 96 33.012 20.270 -2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 96 34.349 20.956 0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 96 31.629 18.681 2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 96 33.896 19.873 2.775 1.00 0.00 H new ATOM 1397 N ASP A 97 34.004 22.532 -1.969 1.00 0.00 N ATOM 1398 CA ASP A 97 35.108 23.251 -2.594 1.00 0.00 C ATOM 1399 C ASP A 97 36.369 22.391 -2.602 1.00 0.00 C ATOM 1400 O ASP A 97 37.332 22.677 -1.890 1.00 0.00 O ATOM 1401 CB ASP A 97 35.376 24.553 -1.839 1.00 0.00 C ATOM 1402 CG ASP A 97 34.467 25.657 -2.369 1.00 0.00 C ATOM 1403 OD1 ASP A 97 34.654 26.054 -3.508 1.00 0.00 O ATOM 1404 OD2 ASP A 97 33.598 26.088 -1.630 1.00 0.00 O ATOM 0 H ASP A 97 34.278 21.906 -1.212 1.00 0.00 H new ATOM 0 HA ASP A 97 34.834 23.481 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 97 35.202 24.408 -0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 97 36.420 24.843 -1.955 1.00 0.00 H new ATOM 1409 N ASN A 98 36.354 21.336 -3.411 1.00 0.00 N ATOM 1410 CA ASN A 98 37.500 20.440 -3.503 1.00 0.00 C ATOM 1411 C ASN A 98 37.717 19.980 -4.944 1.00 0.00 C ATOM 1412 O ASN A 98 36.759 19.774 -5.687 1.00 0.00 O ATOM 1413 CB ASN A 98 37.273 19.217 -2.612 1.00 0.00 C ATOM 1414 CG ASN A 98 36.845 19.661 -1.218 1.00 0.00 C ATOM 1415 OD1 ASN A 98 37.328 20.674 -0.713 1.00 0.00 O ATOM 1416 ND2 ASN A 98 35.961 18.958 -0.563 1.00 0.00 N ATOM 0 H ASN A 98 35.567 21.082 -4.008 1.00 0.00 H new ATOM 0 HA ASN A 98 38.385 20.982 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 98 36.508 18.575 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 98 38.187 18.627 -2.550 1.00 0.00 H new ATOM 0 HD21 ASN A 98 35.669 19.248 0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 98 35.563 18.119 -0.985 1.00 0.00 H new ATOM 1423 N LYS A 99 38.983 19.804 -5.318 1.00 0.00 N ATOM 1424 CA LYS A 99 39.326 19.343 -6.660 1.00 0.00 C ATOM 1425 C LYS A 99 39.288 20.477 -7.685 1.00 0.00 C ATOM 1426 O LYS A 99 39.665 21.617 -7.396 1.00 0.00 O ATOM 1427 CB LYS A 99 38.357 18.240 -7.075 1.00 0.00 C ATOM 1428 CG LYS A 99 39.000 17.365 -8.150 1.00 0.00 C ATOM 1429 CD LYS A 99 39.821 16.263 -7.482 1.00 0.00 C ATOM 1430 CE LYS A 99 38.894 15.344 -6.682 1.00 0.00 C ATOM 1431 NZ LYS A 99 39.362 13.934 -6.806 1.00 0.00 N ATOM 0 H LYS A 99 39.786 19.973 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 99 40.347 18.962 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 99 38.091 17.633 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 99 37.433 18.678 -7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 99 38.231 16.926 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 99 39.638 17.970 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 99 40.357 15.687 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 99 40.570 16.702 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 99 38.883 15.644 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 99 37.872 15.432 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 38.732 13.310 -6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 39.350 13.651 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 40.331 13.856 -6.435 1.00 0.00 H new ATOM 1445 N ASP A 100 38.844 20.148 -8.894 1.00 0.00 N ATOM 1446 CA ASP A 100 38.774 21.130 -9.968 1.00 0.00 C ATOM 1447 C ASP A 100 37.666 22.144 -9.710 1.00 0.00 C ATOM 1448 O ASP A 100 37.684 23.246 -10.259 1.00 0.00 O ATOM 1449 CB ASP A 100 38.518 20.424 -11.302 1.00 0.00 C ATOM 1450 CG ASP A 100 39.816 20.318 -12.097 1.00 0.00 C ATOM 1451 OD1 ASP A 100 40.529 21.305 -12.165 1.00 0.00 O ATOM 1452 OD2 ASP A 100 40.076 19.251 -12.626 1.00 0.00 O ATOM 0 H ASP A 100 38.529 19.213 -9.153 1.00 0.00 H new ATOM 0 HA ASP A 100 39.726 21.659 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 100 38.110 19.429 -11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 100 37.774 20.975 -11.877 1.00 0.00 H new ATOM 1457 N ASP A 101 36.697 21.767 -8.882 1.00 0.00 N ATOM 1458 CA ASP A 101 35.586 22.661 -8.581 1.00 0.00 C ATOM 1459 C ASP A 101 36.094 23.998 -8.049 1.00 0.00 C ATOM 1460 O ASP A 101 35.846 25.043 -8.650 1.00 0.00 O ATOM 1461 CB ASP A 101 34.658 22.019 -7.550 1.00 0.00 C ATOM 1462 CG ASP A 101 33.458 22.925 -7.295 1.00 0.00 C ATOM 1463 OD1 ASP A 101 32.661 23.090 -8.204 1.00 0.00 O ATOM 1464 OD2 ASP A 101 33.356 23.443 -6.195 1.00 0.00 O ATOM 0 H ASP A 101 36.658 20.862 -8.414 1.00 0.00 H new ATOM 0 HA ASP A 101 35.034 22.839 -9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 101 34.321 21.046 -7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 101 35.198 21.846 -6.619 1.00 0.00 H new ATOM 1469 N LEU A 102 36.808 23.966 -6.925 1.00 0.00 N ATOM 1470 CA LEU A 102 37.333 25.201 -6.351 1.00 0.00 C ATOM 1471 C LEU A 102 38.648 25.618 -6.996 1.00 0.00 C ATOM 1472 O LEU A 102 38.969 26.795 -6.993 1.00 0.00 O ATOM 1473 CB LEU A 102 37.504 25.115 -4.822 1.00 0.00 C ATOM 1474 CG LEU A 102 38.606 24.123 -4.419 1.00 0.00 C ATOM 1475 CD1 LEU A 102 38.449 22.818 -5.185 1.00 0.00 C ATOM 1476 CD2 LEU A 102 39.985 24.718 -4.719 1.00 0.00 C ATOM 0 H LEU A 102 37.032 23.118 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 102 36.585 25.965 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 102 37.744 26.103 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 102 36.560 24.812 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 102 38.517 23.927 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 102 39.237 22.125 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 102 37.477 22.379 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 102 38.521 23.013 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 102 40.759 24.007 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 102 40.066 24.929 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 102 40.113 25.642 -4.156 1.00 0.00 H new ATOM 1488 N GLN A 103 39.411 24.686 -7.566 1.00 0.00 N ATOM 1489 CA GLN A 103 40.666 25.087 -8.197 1.00 0.00 C ATOM 1490 C GLN A 103 40.366 25.911 -9.424 1.00 0.00 C ATOM 1491 O GLN A 103 41.034 26.908 -9.713 1.00 0.00 O ATOM 1492 CB GLN A 103 41.498 23.866 -8.589 1.00 0.00 C ATOM 1493 CG GLN A 103 42.663 23.713 -7.612 1.00 0.00 C ATOM 1494 CD GLN A 103 43.664 22.697 -8.152 1.00 0.00 C ATOM 1495 OE1 GLN A 103 44.741 22.522 -7.582 1.00 0.00 O ATOM 1496 NE2 GLN A 103 43.371 22.013 -9.225 1.00 0.00 N ATOM 0 H GLN A 103 39.195 23.690 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 103 41.241 25.677 -7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 103 40.878 22.970 -8.576 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.874 23.979 -9.606 1.00 0.00 H new ATOM 0 HG2 GLN A 103 43.153 24.675 -7.463 1.00 0.00 H new ATOM 0 HG3 GLN A 103 42.293 23.390 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 103 42.478 22.160 -9.695 1.00 0.00 H new ATOM 0 HE22 GLN A 103 44.035 21.332 -9.593 1.00 0.00 H new ATOM 1505 N ALA A 104 39.350 25.481 -10.134 1.00 0.00 N ATOM 1506 CA ALA A 104 38.935 26.155 -11.337 1.00 0.00 C ATOM 1507 C ALA A 104 38.100 27.383 -11.006 1.00 0.00 C ATOM 1508 O ALA A 104 38.387 28.479 -11.481 1.00 0.00 O ATOM 1509 CB ALA A 104 38.137 25.191 -12.208 1.00 0.00 C ATOM 0 H ALA A 104 38.793 24.661 -9.895 1.00 0.00 H new ATOM 0 HA ALA A 104 39.820 26.486 -11.881 1.00 0.00 H new ATOM 0 HB1 ALA A 104 37.822 25.700 -13.119 1.00 0.00 H new ATOM 0 HB2 ALA A 104 38.759 24.334 -12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 104 37.258 24.849 -11.661 1.00 0.00 H new ATOM 1515 N ALA A 105 37.077 27.202 -10.182 1.00 0.00 N ATOM 1516 CA ALA A 105 36.235 28.324 -9.795 1.00 0.00 C ATOM 1517 C ALA A 105 37.100 29.415 -9.181 1.00 0.00 C ATOM 1518 O ALA A 105 36.989 30.593 -9.531 1.00 0.00 O ATOM 1519 CB ALA A 105 35.184 27.872 -8.780 1.00 0.00 C ATOM 0 H ALA A 105 36.813 26.305 -9.775 1.00 0.00 H new ATOM 0 HA ALA A 105 35.728 28.710 -10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.561 28.721 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 105 34.561 27.095 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 105 35.680 27.477 -7.894 1.00 0.00 H new ATOM 1525 N ILE A 106 37.976 29.007 -8.270 1.00 0.00 N ATOM 1526 CA ILE A 106 38.868 29.947 -7.615 1.00 0.00 C ATOM 1527 C ILE A 106 39.774 30.619 -8.623 1.00 0.00 C ATOM 1528 O ILE A 106 39.793 31.832 -8.727 1.00 0.00 O ATOM 1529 CB ILE A 106 39.735 29.241 -6.598 1.00 0.00 C ATOM 1530 CG1 ILE A 106 38.864 28.694 -5.464 1.00 0.00 C ATOM 1531 CG2 ILE A 106 40.742 30.240 -6.035 1.00 0.00 C ATOM 1532 CD1 ILE A 106 38.614 29.796 -4.433 1.00 0.00 C ATOM 0 H ILE A 106 38.085 28.038 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 106 38.247 30.693 -7.120 1.00 0.00 H new ATOM 0 HB ILE A 106 40.259 28.411 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 106 37.916 28.332 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 106 39.356 27.844 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 106 41.375 29.743 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 106 41.362 30.627 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 106 40.210 31.064 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 106 37.994 29.405 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 106 39.566 30.137 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 106 38.104 30.632 -4.911 1.00 0.00 H new ATOM 1544 N ALA A 107 40.537 29.816 -9.355 1.00 0.00 N ATOM 1545 CA ALA A 107 41.458 30.354 -10.346 1.00 0.00 C ATOM 1546 C ALA A 107 40.743 31.316 -11.288 1.00 0.00 C ATOM 1547 O ALA A 107 41.249 32.393 -11.596 1.00 0.00 O ATOM 1548 CB ALA A 107 42.064 29.206 -11.145 1.00 0.00 C ATOM 0 H ALA A 107 40.536 28.799 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 107 42.245 30.904 -9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 107 42.754 29.605 -11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 107 42.602 28.538 -10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 107 41.270 28.653 -11.647 1.00 0.00 H new ATOM 1554 N LEU A 108 39.565 30.915 -11.743 1.00 0.00 N ATOM 1555 CA LEU A 108 38.782 31.740 -12.652 1.00 0.00 C ATOM 1556 C LEU A 108 38.460 33.089 -12.015 1.00 0.00 C ATOM 1557 O LEU A 108 38.505 34.126 -12.677 1.00 0.00 O ATOM 1558 CB LEU A 108 37.484 31.009 -13.005 1.00 0.00 C ATOM 1559 CG LEU A 108 36.569 31.932 -13.811 1.00 0.00 C ATOM 1560 CD1 LEU A 108 37.248 32.297 -15.131 1.00 0.00 C ATOM 1561 CD2 LEU A 108 35.249 31.210 -14.098 1.00 0.00 C ATOM 0 H LEU A 108 39.131 30.025 -11.498 1.00 0.00 H new ATOM 0 HA LEU A 108 39.363 31.919 -13.557 1.00 0.00 H new ATOM 0 HB2 LEU A 108 37.707 30.111 -13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 108 36.979 30.687 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 108 36.373 32.841 -13.242 1.00 0.00 H new ATOM 0 HD11 LEU A 108 36.596 32.955 -15.706 1.00 0.00 H new ATOM 0 HD12 LEU A 108 38.190 32.807 -14.927 1.00 0.00 H new ATOM 0 HD13 LEU A 108 37.443 31.390 -15.703 1.00 0.00 H new ATOM 0 HD21 LEU A 108 34.594 31.865 -14.673 1.00 0.00 H new ATOM 0 HD22 LEU A 108 35.447 30.303 -14.669 1.00 0.00 H new ATOM 0 HD23 LEU A 108 34.766 30.948 -13.157 1.00 0.00 H new ATOM 1573 N SER A 109 38.124 33.063 -10.731 1.00 0.00 N ATOM 1574 CA SER A 109 37.782 34.288 -10.013 1.00 0.00 C ATOM 1575 C SER A 109 39.026 34.976 -9.462 1.00 0.00 C ATOM 1576 O SER A 109 38.993 36.151 -9.096 1.00 0.00 O ATOM 1577 CB SER A 109 36.850 33.947 -8.860 1.00 0.00 C ATOM 1578 OG SER A 109 35.805 34.908 -8.796 1.00 0.00 O ATOM 0 H SER A 109 38.081 32.214 -10.167 1.00 0.00 H new ATOM 0 HA SER A 109 37.295 34.969 -10.711 1.00 0.00 H new ATOM 0 HB2 SER A 109 36.433 32.949 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 109 37.405 33.934 -7.922 1.00 0.00 H new ATOM 0 HG SER A 109 35.203 34.688 -8.054 1.00 0.00 H new ATOM 1584 N LEU A 110 40.113 34.228 -9.397 1.00 0.00 N ATOM 1585 CA LEU A 110 41.370 34.749 -8.880 1.00 0.00 C ATOM 1586 C LEU A 110 42.182 35.355 -10.019 1.00 0.00 C ATOM 1587 O LEU A 110 43.119 36.121 -9.799 1.00 0.00 O ATOM 1588 CB LEU A 110 42.146 33.611 -8.192 1.00 0.00 C ATOM 1589 CG LEU A 110 43.656 33.776 -8.403 1.00 0.00 C ATOM 1590 CD1 LEU A 110 44.121 35.107 -7.811 1.00 0.00 C ATOM 1591 CD2 LEU A 110 44.386 32.631 -7.701 1.00 0.00 C ATOM 0 H LEU A 110 40.152 33.254 -9.697 1.00 0.00 H new ATOM 0 HA LEU A 110 41.176 35.532 -8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 110 41.922 33.605 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 110 41.821 32.650 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 110 43.876 33.761 -9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 110 45.194 35.218 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 110 43.597 35.927 -8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 110 43.903 35.126 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 110 45.461 32.741 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 110 44.160 32.655 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 110 44.059 31.680 -8.120 1.00 0.00 H new ATOM 1603 N LEU A 111 41.805 35.010 -11.240 1.00 0.00 N ATOM 1604 CA LEU A 111 42.495 35.523 -12.420 1.00 0.00 C ATOM 1605 C LEU A 111 41.894 36.851 -12.858 1.00 0.00 C ATOM 1606 O LEU A 111 42.549 37.657 -13.518 1.00 0.00 O ATOM 1607 CB LEU A 111 42.389 34.518 -13.563 1.00 0.00 C ATOM 1608 CG LEU A 111 43.415 34.864 -14.643 1.00 0.00 C ATOM 1609 CD1 LEU A 111 44.576 33.871 -14.581 1.00 0.00 C ATOM 1610 CD2 LEU A 111 42.752 34.786 -16.020 1.00 0.00 C ATOM 0 H LEU A 111 41.029 34.380 -11.443 1.00 0.00 H new ATOM 0 HA LEU A 111 43.543 35.677 -12.164 1.00 0.00 H new ATOM 0 HB2 LEU A 111 42.563 33.508 -13.191 1.00 0.00 H new ATOM 0 HB3 LEU A 111 41.383 34.534 -13.983 1.00 0.00 H new ATOM 0 HG LEU A 111 43.791 35.874 -14.476 1.00 0.00 H new ATOM 0 HD11 LEU A 111 45.307 34.118 -15.351 1.00 0.00 H new ATOM 0 HD12 LEU A 111 45.049 33.925 -13.600 1.00 0.00 H new ATOM 0 HD13 LEU A 111 44.201 32.861 -14.747 1.00 0.00 H new ATOM 0 HD21 LEU A 111 43.483 35.033 -16.790 1.00 0.00 H new ATOM 0 HD22 LEU A 111 42.376 33.776 -16.186 1.00 0.00 H new ATOM 0 HD23 LEU A 111 41.924 35.493 -16.066 1.00 0.00 H new ATOM 1622 N GLU A 112 40.643 37.059 -12.490 1.00 0.00 N ATOM 1623 CA GLU A 112 39.939 38.285 -12.849 1.00 0.00 C ATOM 1624 C GLU A 112 40.328 39.426 -11.920 1.00 0.00 C ATOM 1625 O GLU A 112 40.118 40.598 -12.231 1.00 0.00 O ATOM 1626 CB GLU A 112 38.429 38.061 -12.767 1.00 0.00 C ATOM 1627 CG GLU A 112 37.871 37.795 -14.166 1.00 0.00 C ATOM 1628 CD GLU A 112 36.603 36.953 -14.069 1.00 0.00 C ATOM 1629 OE1 GLU A 112 36.689 35.843 -13.571 1.00 0.00 O ATOM 1630 OE2 GLU A 112 35.564 37.432 -14.494 1.00 0.00 O ATOM 0 H GLU A 112 40.091 36.398 -11.943 1.00 0.00 H new ATOM 0 HA GLU A 112 40.218 38.551 -13.868 1.00 0.00 H new ATOM 0 HB2 GLU A 112 38.212 37.217 -12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 112 37.945 38.935 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 112 37.653 38.739 -14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 112 38.616 37.278 -14.772 1.00 0.00 H new ATOM 1637 N SER A 113 40.881 39.070 -10.772 1.00 0.00 N ATOM 1638 CA SER A 113 41.285 40.064 -9.785 1.00 0.00 C ATOM 1639 C SER A 113 40.134 41.027 -9.503 1.00 0.00 C ATOM 1640 O SER A 113 40.313 42.245 -9.509 1.00 0.00 O ATOM 1641 CB SER A 113 42.497 40.846 -10.295 1.00 0.00 C ATOM 1642 OG SER A 113 42.523 42.128 -9.680 1.00 0.00 O ATOM 0 H SER A 113 41.061 38.104 -10.499 1.00 0.00 H new ATOM 0 HA SER A 113 41.552 39.550 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 113 43.415 40.303 -10.070 1.00 0.00 H new ATOM 0 HB3 SER A 113 42.447 40.951 -11.379 1.00 0.00 H new ATOM 0 HG SER A 113 41.740 42.644 -9.966 1.00 0.00 H new ATOM 1648 N PRO A 114 38.960 40.500 -9.265 1.00 0.00 N ATOM 1649 CA PRO A 114 37.747 41.321 -8.981 1.00 0.00 C ATOM 1650 C PRO A 114 37.757 41.907 -7.573 1.00 0.00 C ATOM 1651 O PRO A 114 38.761 41.838 -6.863 1.00 0.00 O ATOM 1652 CB PRO A 114 36.599 40.323 -9.137 1.00 0.00 C ATOM 1653 CG PRO A 114 37.194 38.998 -8.799 1.00 0.00 C ATOM 1654 CD PRO A 114 38.657 39.057 -9.237 1.00 0.00 C ATOM 0 HA PRO A 114 37.675 42.183 -9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 114 35.771 40.566 -8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 114 36.204 40.331 -10.153 1.00 0.00 H new ATOM 0 HG2 PRO A 114 37.116 38.799 -7.730 1.00 0.00 H new ATOM 0 HG3 PRO A 114 36.667 38.194 -9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 114 39.305 38.526 -8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 114 38.800 38.600 -10.216 1.00 0.00 H new ATOM 1662 N LYS A 115 36.625 42.480 -7.179 1.00 0.00 N ATOM 1663 CA LYS A 115 36.495 43.074 -5.856 1.00 0.00 C ATOM 1664 C LYS A 115 35.506 42.273 -5.018 1.00 0.00 C ATOM 1665 O LYS A 115 35.045 41.210 -5.433 1.00 0.00 O ATOM 1666 CB LYS A 115 36.008 44.516 -5.983 1.00 0.00 C ATOM 1667 CG LYS A 115 34.985 44.608 -7.116 1.00 0.00 C ATOM 1668 CD LYS A 115 34.174 45.897 -6.971 1.00 0.00 C ATOM 1669 CE LYS A 115 33.053 45.681 -5.953 1.00 0.00 C ATOM 1670 NZ LYS A 115 32.070 46.797 -6.053 1.00 0.00 N ATOM 0 H LYS A 115 35.787 42.545 -7.756 1.00 0.00 H new ATOM 0 HA LYS A 115 37.469 43.062 -5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 115 35.559 44.844 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 115 36.849 45.179 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 115 35.493 44.592 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 115 34.321 43.744 -7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 115 34.821 46.712 -6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 115 33.754 46.186 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 115 32.558 44.728 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 115 33.466 45.635 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 31.307 46.651 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 32.548 47.699 -5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 31.668 46.820 -7.012 1.00 0.00 H new ATOM 1684 N ILE A 116 35.180 42.790 -3.840 1.00 0.00 N ATOM 1685 CA ILE A 116 34.238 42.110 -2.958 1.00 0.00 C ATOM 1686 C ILE A 116 32.896 42.833 -2.950 1.00 0.00 C ATOM 1687 O ILE A 116 32.265 43.003 -3.994 1.00 0.00 O ATOM 1688 CB ILE A 116 34.801 42.052 -1.537 1.00 0.00 C ATOM 1689 CG1 ILE A 116 36.168 41.364 -1.558 1.00 0.00 C ATOM 1690 CG2 ILE A 116 33.848 41.259 -0.642 1.00 0.00 C ATOM 1691 CD1 ILE A 116 36.711 41.261 -0.131 1.00 0.00 C ATOM 0 H ILE A 116 35.549 43.668 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 116 34.088 41.096 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 116 34.908 43.065 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 116 36.080 40.370 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 116 36.861 41.928 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 116 34.249 41.218 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 116 32.873 41.747 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 116 33.741 40.247 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 116 37.684 40.771 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 116 36.815 42.260 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 116 36.021 40.678 0.480 1.00 0.00 H new ATOM 1703 N GLN A 117 32.464 43.257 -1.767 1.00 0.00 N ATOM 1704 CA GLN A 117 31.193 43.961 -1.638 1.00 0.00 C ATOM 1705 C GLN A 117 31.382 45.260 -0.863 1.00 0.00 C ATOM 1706 O GLN A 117 30.427 45.814 -0.319 1.00 0.00 O ATOM 1707 CB GLN A 117 30.178 43.073 -0.912 1.00 0.00 C ATOM 1708 CG GLN A 117 28.798 43.221 -1.561 1.00 0.00 C ATOM 1709 CD GLN A 117 27.877 42.107 -1.076 1.00 0.00 C ATOM 1710 OE1 GLN A 117 28.332 40.992 -0.817 1.00 0.00 O ATOM 1711 NE2 GLN A 117 26.601 42.342 -0.938 1.00 0.00 N ATOM 0 H GLN A 117 32.970 43.127 -0.891 1.00 0.00 H new ATOM 0 HA GLN A 117 30.822 44.196 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 117 30.498 42.032 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 117 30.126 43.351 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 117 28.371 44.193 -1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 117 28.890 43.182 -2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 117 26.226 43.266 -1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 117 25.978 41.602 -0.615 1.00 0.00 H new ATOM 1720 N ALA A 118 32.620 45.739 -0.819 1.00 0.00 N ATOM 1721 CA ALA A 118 32.927 46.975 -0.108 1.00 0.00 C ATOM 1722 C ALA A 118 32.155 47.043 1.205 1.00 0.00 C ATOM 1723 O ALA A 118 32.337 46.205 2.088 1.00 0.00 O ATOM 1724 CB ALA A 118 32.566 48.179 -0.978 1.00 0.00 C ATOM 0 H ALA A 118 33.423 45.294 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 118 33.995 46.992 0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 118 32.798 49.099 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 118 33.141 48.145 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 118 31.501 48.153 -1.211 1.00 0.00 H new ATOM 1730 N ASP A 119 31.290 48.045 1.325 1.00 0.00 N ATOM 1731 CA ASP A 119 30.494 48.212 2.535 1.00 0.00 C ATOM 1732 C ASP A 119 29.006 48.223 2.199 1.00 0.00 C ATOM 1733 O ASP A 119 28.366 47.174 2.140 1.00 0.00 O ATOM 1734 CB ASP A 119 30.870 49.522 3.230 1.00 0.00 C ATOM 1735 CG ASP A 119 31.980 49.275 4.246 1.00 0.00 C ATOM 1736 OD1 ASP A 119 31.660 48.940 5.374 1.00 0.00 O ATOM 1737 OD2 ASP A 119 33.134 49.427 3.881 1.00 0.00 O ATOM 0 H ASP A 119 31.123 48.748 0.605 1.00 0.00 H new ATOM 0 HA ASP A 119 30.699 47.374 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 119 31.198 50.254 2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 119 29.997 49.942 3.729 1.00 0.00 H new ATOM 1742 N GLY A 120 28.464 49.417 1.979 1.00 0.00 N ATOM 1743 CA GLY A 120 27.050 49.553 1.650 1.00 0.00 C ATOM 1744 C GLY A 120 26.293 50.239 2.780 1.00 0.00 C ATOM 1745 O GLY A 120 25.498 49.574 3.424 1.00 0.00 O ATOM 0 H GLY A 120 28.978 50.297 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 120 26.940 50.129 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 120 26.620 48.569 1.463 1.00 0.00 H new TER 1749 GLY A 120