USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 75 ASN : amide:sc= -0.0293 X(o=-0.83,f=-1.2) USER MOD Set 1.2: A 94 SER OG : rot -76:sc= -0.801 USER MOD Single : A 16 SER OG : rot 180:sc= -0.12 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -4.64 K(o=-4.6,f=-5.3!) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0189 (180deg=-0.204) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.61 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0.836 (180deg=0.727) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -173:sc= -1.49 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 114:sc= -2.37 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.738 K(o=-0.74,f=-0.18) USER MOD Single : A 79 THR OG1 : rot 70:sc= -2.61! USER MOD Single : A 84 CYS SG : rot -69:sc= 0.323 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 150:sc= -2.3 USER MOD Single : A 105 ASN : amide:sc= -2.52 K(o=-2.5,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -12.177 -16.115 -13.116 1.00 0.00 N ATOM 2 CA SER A 16 -10.862 -15.973 -12.436 1.00 0.00 C ATOM 3 C SER A 16 -9.709 -16.119 -13.426 1.00 0.00 C ATOM 4 O SER A 16 -9.013 -17.135 -13.437 1.00 0.00 O ATOM 5 CB SER A 16 -10.761 -17.042 -11.346 1.00 0.00 C ATOM 6 OG SER A 16 -9.646 -16.810 -10.504 1.00 0.00 O ATOM 0 HA SER A 16 -10.792 -14.978 -11.996 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.675 -17.047 -10.751 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.675 -18.027 -11.805 1.00 0.00 H new ATOM 0 HG SER A 16 -9.606 -17.506 -9.816 1.00 0.00 H new ATOM 14 N PRO A 17 -9.488 -15.098 -14.274 1.00 0.00 N ATOM 15 CA PRO A 17 -8.409 -15.119 -15.266 1.00 0.00 C ATOM 16 C PRO A 17 -7.036 -14.978 -14.622 1.00 0.00 C ATOM 17 O PRO A 17 -6.681 -13.909 -14.128 1.00 0.00 O ATOM 18 CB PRO A 17 -8.714 -13.905 -16.144 1.00 0.00 C ATOM 19 CG PRO A 17 -9.462 -12.975 -15.254 1.00 0.00 C ATOM 20 CD PRO A 17 -10.267 -13.846 -14.328 1.00 0.00 C ATOM 0 HA PRO A 17 -8.373 -16.060 -15.815 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.799 -13.446 -16.517 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.308 -14.184 -17.014 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.779 -12.337 -14.694 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.110 -12.317 -15.833 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.372 -13.395 -13.341 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.274 -14.015 -14.709 1.00 0.00 H new ATOM 28 N THR A 18 -6.265 -16.063 -14.637 1.00 0.00 N ATOM 29 CA THR A 18 -4.931 -16.061 -14.060 1.00 0.00 C ATOM 30 C THR A 18 -4.992 -15.720 -12.573 1.00 0.00 C ATOM 31 O THR A 18 -5.887 -15.000 -12.133 1.00 0.00 O ATOM 32 CB THR A 18 -4.075 -15.041 -14.796 1.00 0.00 C ATOM 33 OG1 THR A 18 -4.112 -15.267 -16.193 1.00 0.00 O ATOM 34 CG2 THR A 18 -2.625 -15.025 -14.372 1.00 0.00 C ATOM 0 H THR A 18 -6.546 -16.955 -15.045 1.00 0.00 H new ATOM 0 HA THR A 18 -4.492 -17.053 -14.164 1.00 0.00 H new ATOM 0 HB THR A 18 -4.511 -14.077 -14.534 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.557 -14.599 -16.647 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.087 -14.270 -14.945 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.559 -14.789 -13.310 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.182 -16.004 -14.554 1.00 0.00 H new ATOM 42 N PRO A 19 -4.046 -16.242 -11.774 1.00 0.00 N ATOM 43 CA PRO A 19 -4.003 -15.990 -10.326 1.00 0.00 C ATOM 44 C PRO A 19 -4.037 -14.497 -9.988 1.00 0.00 C ATOM 45 O PRO A 19 -4.654 -13.706 -10.698 1.00 0.00 O ATOM 46 CB PRO A 19 -2.669 -16.611 -9.912 1.00 0.00 C ATOM 47 CG PRO A 19 -2.432 -17.680 -10.915 1.00 0.00 C ATOM 48 CD PRO A 19 -2.951 -17.133 -12.209 1.00 0.00 C ATOM 0 HA PRO A 19 -4.866 -16.408 -9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.867 -15.873 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.716 -17.017 -8.902 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.372 -17.922 -10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.951 -18.598 -10.640 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.181 -16.589 -12.756 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.311 -17.924 -12.867 1.00 0.00 H new ATOM 56 N VAL A 20 -3.375 -14.118 -8.891 1.00 0.00 N ATOM 57 CA VAL A 20 -3.333 -12.723 -8.450 1.00 0.00 C ATOM 58 C VAL A 20 -3.257 -11.752 -9.626 1.00 0.00 C ATOM 59 O VAL A 20 -2.753 -12.093 -10.697 1.00 0.00 O ATOM 60 CB VAL A 20 -2.134 -12.465 -7.519 1.00 0.00 C ATOM 61 CG1 VAL A 20 -2.229 -13.330 -6.273 1.00 0.00 C ATOM 62 CG2 VAL A 20 -0.824 -12.715 -8.253 1.00 0.00 C ATOM 0 H VAL A 20 -2.859 -14.762 -8.291 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.262 -12.549 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.156 -11.420 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.373 -13.134 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.149 -13.096 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.233 -14.382 -6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.012 -12.528 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.790 -13.750 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.755 -12.047 -9.112 1.00 0.00 H new ATOM 72 N GLU A 21 -3.757 -10.540 -9.414 1.00 0.00 N ATOM 73 CA GLU A 21 -3.745 -9.514 -10.446 1.00 0.00 C ATOM 74 C GLU A 21 -2.938 -8.305 -9.988 1.00 0.00 C ATOM 75 O GLU A 21 -3.228 -7.710 -8.951 1.00 0.00 O ATOM 76 CB GLU A 21 -5.174 -9.090 -10.789 1.00 0.00 C ATOM 77 CG GLU A 21 -5.925 -10.104 -11.636 1.00 0.00 C ATOM 78 CD GLU A 21 -7.337 -9.661 -11.961 1.00 0.00 C ATOM 79 OE1 GLU A 21 -7.544 -8.447 -12.171 1.00 0.00 O ATOM 80 OE2 GLU A 21 -8.236 -10.527 -12.004 1.00 0.00 O ATOM 0 H GLU A 21 -4.177 -10.245 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.276 -9.929 -11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.726 -8.922 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.144 -8.138 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.379 -10.272 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.960 -11.057 -11.109 1.00 0.00 H new ATOM 87 N LEU A 22 -1.918 -7.953 -10.763 1.00 0.00 N ATOM 88 CA LEU A 22 -1.065 -6.820 -10.433 1.00 0.00 C ATOM 89 C LEU A 22 -1.859 -5.521 -10.377 1.00 0.00 C ATOM 90 O LEU A 22 -2.681 -5.245 -11.250 1.00 0.00 O ATOM 91 CB LEU A 22 0.061 -6.695 -11.458 1.00 0.00 C ATOM 92 CG LEU A 22 1.285 -7.566 -11.185 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.384 -7.269 -12.193 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.787 -7.350 -9.764 1.00 0.00 C ATOM 0 H LEU A 22 -1.663 -8.437 -11.624 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.640 -6.999 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.334 -6.949 -12.442 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.378 -5.653 -11.501 1.00 0.00 H new ATOM 0 HG LEU A 22 0.996 -8.612 -11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.249 -7.898 -11.984 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.020 -7.475 -13.200 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.672 -6.220 -12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.660 -7.979 -9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.060 -6.303 -9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.001 -7.613 -9.056 1.00 0.00 H new ATOM 106 N HIS A 23 -1.599 -4.725 -9.345 1.00 0.00 N ATOM 107 CA HIS A 23 -2.280 -3.448 -9.171 1.00 0.00 C ATOM 108 C HIS A 23 -1.332 -2.406 -8.587 1.00 0.00 C ATOM 109 O HIS A 23 -0.918 -2.508 -7.430 1.00 0.00 O ATOM 110 CB HIS A 23 -3.496 -3.609 -8.257 1.00 0.00 C ATOM 111 CG HIS A 23 -4.413 -4.722 -8.661 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.874 -4.887 -9.950 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.957 -5.729 -7.938 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.662 -5.946 -10.002 1.00 0.00 C ATOM 115 NE2 HIS A 23 -5.729 -6.476 -8.794 1.00 0.00 N ATOM 0 H HIS A 23 -0.920 -4.943 -8.615 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.615 -3.109 -10.151 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.152 -3.786 -7.238 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.057 -2.674 -8.246 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -4.643 -4.285 -10.740 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.811 -5.911 -6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.166 -6.316 -10.883 1.00 0.00 H new ATOM 124 N LYS A 24 -0.995 -1.402 -9.389 1.00 0.00 N ATOM 125 CA LYS A 24 -0.104 -0.336 -8.944 1.00 0.00 C ATOM 126 C LYS A 24 -0.823 0.571 -7.953 1.00 0.00 C ATOM 127 O LYS A 24 -1.755 1.287 -8.318 1.00 0.00 O ATOM 128 CB LYS A 24 0.392 0.479 -10.138 1.00 0.00 C ATOM 129 CG LYS A 24 1.837 0.935 -10.006 1.00 0.00 C ATOM 130 CD LYS A 24 2.664 0.540 -11.219 1.00 0.00 C ATOM 131 CE LYS A 24 2.631 1.620 -12.289 1.00 0.00 C ATOM 132 NZ LYS A 24 3.414 2.822 -11.888 1.00 0.00 N ATOM 0 H LYS A 24 -1.325 -1.304 -10.349 1.00 0.00 H new ATOM 0 HA LYS A 24 0.756 -0.787 -8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.290 -0.119 -11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.247 1.354 -10.261 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.867 2.017 -9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.276 0.499 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.695 0.358 -10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.284 -0.395 -11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.031 1.220 -13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.598 1.908 -12.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.640 3.386 -12.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.853 3.397 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.296 2.523 -11.425 1.00 0.00 H new ATOM 146 N VAL A 25 -0.399 0.526 -6.695 1.00 0.00 N ATOM 147 CA VAL A 25 -1.021 1.335 -5.655 1.00 0.00 C ATOM 148 C VAL A 25 -0.033 2.327 -5.051 1.00 0.00 C ATOM 149 O VAL A 25 1.129 2.000 -4.808 1.00 0.00 O ATOM 150 CB VAL A 25 -1.607 0.462 -4.519 1.00 0.00 C ATOM 151 CG1 VAL A 25 -3.108 0.683 -4.388 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.298 -1.014 -4.744 1.00 0.00 C ATOM 0 H VAL A 25 0.371 -0.060 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.831 1.880 -6.139 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.133 0.766 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.499 0.060 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.303 1.731 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.598 0.417 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.722 -1.603 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.733 -1.337 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.218 -1.159 -4.773 1.00 0.00 H new ATOM 162 N THR A 26 -0.513 3.539 -4.798 1.00 0.00 N ATOM 163 CA THR A 26 0.307 4.586 -4.208 1.00 0.00 C ATOM 164 C THR A 26 -0.451 5.261 -3.065 1.00 0.00 C ATOM 165 O THR A 26 -1.399 6.011 -3.299 1.00 0.00 O ATOM 166 CB THR A 26 0.693 5.620 -5.267 1.00 0.00 C ATOM 167 OG1 THR A 26 1.411 5.011 -6.323 1.00 0.00 O ATOM 168 CG2 THR A 26 1.542 6.748 -4.723 1.00 0.00 C ATOM 0 H THR A 26 -1.473 3.820 -4.995 1.00 0.00 H new ATOM 0 HA THR A 26 1.218 4.137 -3.813 1.00 0.00 H new ATOM 0 HB THR A 26 -0.250 6.037 -5.620 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.648 5.688 -6.990 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.780 7.445 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.994 7.271 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.465 6.342 -4.310 1.00 0.00 H new ATOM 176 N LEU A 27 -0.043 4.976 -1.833 1.00 0.00 N ATOM 177 CA LEU A 27 -0.703 5.544 -0.661 1.00 0.00 C ATOM 178 C LEU A 27 0.056 6.745 -0.107 1.00 0.00 C ATOM 179 O LEU A 27 1.154 7.065 -0.562 1.00 0.00 O ATOM 180 CB LEU A 27 -0.850 4.481 0.427 1.00 0.00 C ATOM 181 CG LEU A 27 -1.480 3.163 -0.032 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.412 2.098 -0.225 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.527 2.698 0.968 1.00 0.00 C ATOM 0 H LEU A 27 0.739 4.357 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.689 5.887 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.136 4.269 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.454 4.892 1.235 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.971 3.331 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.879 1.169 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.301 2.430 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.109 1.930 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.965 1.760 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.059 2.547 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.308 3.453 1.054 1.00 0.00 H new ATOM 195 N TYR A 28 -0.543 7.398 0.886 1.00 0.00 N ATOM 196 CA TYR A 28 0.062 8.563 1.522 1.00 0.00 C ATOM 197 C TYR A 28 0.019 8.420 3.042 1.00 0.00 C ATOM 198 O TYR A 28 -0.967 7.941 3.600 1.00 0.00 O ATOM 199 CB TYR A 28 -0.664 9.846 1.101 1.00 0.00 C ATOM 200 CG TYR A 28 -1.234 9.797 -0.300 1.00 0.00 C ATOM 201 CD1 TYR A 28 -0.449 9.406 -1.378 1.00 0.00 C ATOM 202 CD2 TYR A 28 -2.560 10.139 -0.544 1.00 0.00 C ATOM 203 CE1 TYR A 28 -0.968 9.359 -2.658 1.00 0.00 C ATOM 204 CE2 TYR A 28 -3.084 10.095 -1.822 1.00 0.00 C ATOM 205 CZ TYR A 28 -2.285 9.704 -2.875 1.00 0.00 C ATOM 206 OH TYR A 28 -2.804 9.659 -4.148 1.00 0.00 O ATOM 0 H TYR A 28 -1.452 7.137 1.269 1.00 0.00 H new ATOM 0 HA TYR A 28 1.101 8.626 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.473 10.042 1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.030 10.684 1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.583 9.135 -1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.190 10.444 0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.344 9.053 -3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.115 10.366 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.745 9.931 -4.127 1.00 0.00 H new ATOM 216 N LYS A 29 1.096 8.829 3.707 1.00 0.00 N ATOM 217 CA LYS A 29 1.174 8.733 5.161 1.00 0.00 C ATOM 218 C LYS A 29 1.099 10.109 5.815 1.00 0.00 C ATOM 219 O LYS A 29 1.265 11.134 5.154 1.00 0.00 O ATOM 220 CB LYS A 29 2.468 8.030 5.580 1.00 0.00 C ATOM 221 CG LYS A 29 2.237 6.761 6.381 1.00 0.00 C ATOM 222 CD LYS A 29 3.535 6.221 6.958 1.00 0.00 C ATOM 223 CE LYS A 29 4.049 7.099 8.089 1.00 0.00 C ATOM 224 NZ LYS A 29 5.536 7.186 8.092 1.00 0.00 N ATOM 0 H LYS A 29 1.923 9.228 3.264 1.00 0.00 H new ATOM 0 HA LYS A 29 0.319 8.147 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.045 7.787 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.071 8.719 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.535 6.963 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.779 6.005 5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.377 5.207 7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.287 6.161 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.627 8.099 7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.707 6.699 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.858 7.602 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.940 6.233 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.850 7.784 7.301 1.00 0.00 H new ATOM 238 N ASP A 30 0.855 10.117 7.122 1.00 0.00 N ATOM 239 CA ASP A 30 0.764 11.360 7.878 1.00 0.00 C ATOM 240 C ASP A 30 1.722 11.340 9.065 1.00 0.00 C ATOM 241 O ASP A 30 1.841 10.333 9.762 1.00 0.00 O ATOM 242 CB ASP A 30 -0.668 11.583 8.365 1.00 0.00 C ATOM 243 CG ASP A 30 -1.629 11.865 7.227 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.666 11.063 6.269 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.343 12.888 7.291 1.00 0.00 O ATOM 0 H ASP A 30 0.717 9.274 7.680 1.00 0.00 H new ATOM 0 HA ASP A 30 1.045 12.181 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.004 10.702 8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.685 12.418 9.066 1.00 0.00 H new ATOM 250 N SER A 31 2.404 12.460 9.285 1.00 0.00 N ATOM 251 CA SER A 31 3.356 12.574 10.383 1.00 0.00 C ATOM 252 C SER A 31 2.677 12.332 11.727 1.00 0.00 C ATOM 253 O SER A 31 2.266 13.274 12.405 1.00 0.00 O ATOM 254 CB SER A 31 4.014 13.955 10.375 1.00 0.00 C ATOM 255 OG SER A 31 5.220 13.942 9.632 1.00 0.00 O ATOM 0 H SER A 31 2.314 13.302 8.716 1.00 0.00 H new ATOM 0 HA SER A 31 4.122 11.811 10.242 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.328 14.686 9.947 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.217 14.270 11.398 1.00 0.00 H new ATOM 0 HG SER A 31 5.620 14.837 9.641 1.00 0.00 H new ATOM 261 N GLY A 32 2.568 11.064 12.109 1.00 0.00 N ATOM 262 CA GLY A 32 1.944 10.721 13.376 1.00 0.00 C ATOM 263 C GLY A 32 0.831 9.696 13.236 1.00 0.00 C ATOM 264 O GLY A 32 0.044 9.503 14.162 1.00 0.00 O ATOM 0 H GLY A 32 2.900 10.267 11.565 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.704 10.333 14.055 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.541 11.625 13.832 1.00 0.00 H new ATOM 268 N MET A 33 0.762 9.036 12.082 1.00 0.00 N ATOM 269 CA MET A 33 -0.265 8.029 11.841 1.00 0.00 C ATOM 270 C MET A 33 0.132 6.691 12.459 1.00 0.00 C ATOM 271 O MET A 33 1.283 6.495 12.851 1.00 0.00 O ATOM 272 CB MET A 33 -0.505 7.864 10.339 1.00 0.00 C ATOM 273 CG MET A 33 -1.775 8.538 9.849 1.00 0.00 C ATOM 274 SD MET A 33 -3.265 7.628 10.298 1.00 0.00 S ATOM 275 CE MET A 33 -4.461 8.956 10.391 1.00 0.00 C ATOM 0 H MET A 33 1.404 9.181 11.302 1.00 0.00 H new ATOM 0 HA MET A 33 -1.189 8.365 12.312 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.347 8.274 9.796 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.553 6.801 10.102 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.830 9.544 10.264 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.731 8.642 8.765 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.436 8.549 10.660 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.147 9.676 11.146 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.530 9.452 9.423 1.00 0.00 H new ATOM 285 N GLU A 34 -0.827 5.775 12.544 1.00 0.00 N ATOM 286 CA GLU A 34 -0.574 4.455 13.113 1.00 0.00 C ATOM 287 C GLU A 34 -0.187 3.455 12.031 1.00 0.00 C ATOM 288 O GLU A 34 0.479 2.456 12.302 1.00 0.00 O ATOM 289 CB GLU A 34 -1.808 3.957 13.868 1.00 0.00 C ATOM 290 CG GLU A 34 -2.075 4.709 15.163 1.00 0.00 C ATOM 291 CD GLU A 34 -2.446 3.787 16.308 1.00 0.00 C ATOM 292 OE1 GLU A 34 -2.848 2.636 16.038 1.00 0.00 O ATOM 293 OE2 GLU A 34 -2.334 4.217 17.475 1.00 0.00 O ATOM 0 H GLU A 34 -1.785 5.921 12.227 1.00 0.00 H new ATOM 0 HA GLU A 34 0.260 4.544 13.810 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.680 4.045 13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.683 2.898 14.092 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.188 5.282 15.435 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.881 5.426 15.003 1.00 0.00 H new ATOM 300 N ASP A 35 -0.607 3.736 10.809 1.00 0.00 N ATOM 301 CA ASP A 35 -0.309 2.868 9.674 1.00 0.00 C ATOM 302 C ASP A 35 -0.406 3.641 8.362 1.00 0.00 C ATOM 303 O ASP A 35 -0.484 4.868 8.359 1.00 0.00 O ATOM 304 CB ASP A 35 -1.265 1.674 9.653 1.00 0.00 C ATOM 305 CG ASP A 35 -0.571 0.385 9.259 1.00 0.00 C ATOM 306 OD1 ASP A 35 0.211 0.405 8.286 1.00 0.00 O ATOM 307 OD2 ASP A 35 -0.811 -0.645 9.924 1.00 0.00 O ATOM 0 H ASP A 35 -1.158 4.561 10.573 1.00 0.00 H new ATOM 0 HA ASP A 35 0.712 2.501 9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.715 1.555 10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.077 1.875 8.954 1.00 0.00 H new ATOM 312 N PHE A 36 -0.403 2.913 7.249 1.00 0.00 N ATOM 313 CA PHE A 36 -0.492 3.536 5.934 1.00 0.00 C ATOM 314 C PHE A 36 -1.893 3.380 5.352 1.00 0.00 C ATOM 315 O PHE A 36 -2.065 3.301 4.135 1.00 0.00 O ATOM 316 CB PHE A 36 0.543 2.931 4.984 1.00 0.00 C ATOM 317 CG PHE A 36 1.435 3.959 4.351 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.929 4.868 3.436 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.781 4.015 4.672 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.748 5.816 2.855 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.607 4.960 4.094 1.00 0.00 C ATOM 322 CZ PHE A 36 3.090 5.862 3.184 1.00 0.00 C ATOM 0 H PHE A 36 -0.340 1.895 7.232 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.284 4.600 6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.156 2.215 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.027 2.375 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.118 4.835 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.190 3.312 5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.341 6.520 2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.655 4.993 4.353 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.733 6.602 2.730 1.00 0.00 H new ATOM 332 N GLY A 37 -2.890 3.343 6.227 1.00 0.00 N ATOM 333 CA GLY A 37 -4.263 3.202 5.781 1.00 0.00 C ATOM 334 C GLY A 37 -4.704 1.755 5.661 1.00 0.00 C ATOM 335 O GLY A 37 -5.846 1.481 5.292 1.00 0.00 O ATOM 0 H GLY A 37 -2.772 3.408 7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.921 3.719 6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.377 3.692 4.814 1.00 0.00 H new ATOM 339 N PHE A 38 -3.806 0.822 5.971 1.00 0.00 N ATOM 340 CA PHE A 38 -4.135 -0.597 5.889 1.00 0.00 C ATOM 341 C PHE A 38 -3.018 -1.464 6.467 1.00 0.00 C ATOM 342 O PHE A 38 -1.853 -1.066 6.481 1.00 0.00 O ATOM 343 CB PHE A 38 -4.416 -0.997 4.438 1.00 0.00 C ATOM 344 CG PHE A 38 -3.197 -1.032 3.556 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.602 0.142 3.120 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.654 -2.242 3.157 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.486 0.107 2.302 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.541 -2.283 2.338 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.957 -1.108 1.910 1.00 0.00 C ATOM 0 H PHE A 38 -2.854 1.021 6.278 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.033 -0.764 6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.884 -1.981 4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.136 -0.298 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.014 1.094 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.106 -3.165 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.029 1.028 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.129 -3.234 2.033 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.088 -1.138 1.270 1.00 0.00 H new ATOM 359 N SER A 39 -3.386 -2.652 6.941 1.00 0.00 N ATOM 360 CA SER A 39 -2.423 -3.580 7.516 1.00 0.00 C ATOM 361 C SER A 39 -2.394 -4.880 6.723 1.00 0.00 C ATOM 362 O SER A 39 -3.410 -5.303 6.166 1.00 0.00 O ATOM 363 CB SER A 39 -2.765 -3.865 8.979 1.00 0.00 C ATOM 364 OG SER A 39 -4.102 -4.315 9.112 1.00 0.00 O ATOM 0 H SER A 39 -4.347 -2.993 6.937 1.00 0.00 H new ATOM 0 HA SER A 39 -1.435 -3.121 7.469 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.084 -4.618 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.621 -2.962 9.572 1.00 0.00 H new ATOM 0 HG SER A 39 -4.331 -4.385 10.062 1.00 0.00 H new ATOM 370 N VAL A 40 -1.223 -5.507 6.670 1.00 0.00 N ATOM 371 CA VAL A 40 -1.052 -6.757 5.940 1.00 0.00 C ATOM 372 C VAL A 40 -0.754 -7.918 6.883 1.00 0.00 C ATOM 373 O VAL A 40 -0.285 -7.718 8.003 1.00 0.00 O ATOM 374 CB VAL A 40 0.082 -6.641 4.909 1.00 0.00 C ATOM 375 CG1 VAL A 40 -0.278 -5.632 3.828 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.388 -6.262 5.592 1.00 0.00 C ATOM 0 H VAL A 40 -0.376 -5.168 7.126 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.991 -6.955 5.424 1.00 0.00 H new ATOM 0 HB VAL A 40 0.217 -7.613 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.537 -5.564 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.187 -5.953 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.443 -4.655 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.179 -6.184 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.270 -5.303 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.652 -7.027 6.323 1.00 0.00 H new ATOM 386 N ALA A 41 -1.031 -9.135 6.421 1.00 0.00 N ATOM 387 CA ALA A 41 -0.797 -10.332 7.217 1.00 0.00 C ATOM 388 C ALA A 41 0.291 -11.203 6.597 1.00 0.00 C ATOM 389 O ALA A 41 0.819 -10.889 5.531 1.00 0.00 O ATOM 390 CB ALA A 41 -2.084 -11.128 7.363 1.00 0.00 C ATOM 0 H ALA A 41 -1.419 -9.316 5.495 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.458 -10.018 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.894 -12.020 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.837 -10.514 7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.444 -11.421 6.377 1.00 0.00 H new ATOM 396 N ASP A 42 0.621 -12.299 7.271 1.00 0.00 N ATOM 397 CA ASP A 42 1.644 -13.216 6.784 1.00 0.00 C ATOM 398 C ASP A 42 1.059 -14.200 5.775 1.00 0.00 C ATOM 399 O ASP A 42 -0.155 -14.399 5.719 1.00 0.00 O ATOM 400 CB ASP A 42 2.271 -13.980 7.952 1.00 0.00 C ATOM 401 CG ASP A 42 3.750 -14.245 7.743 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.556 -13.320 7.974 1.00 0.00 O ATOM 403 OD2 ASP A 42 4.101 -15.377 7.350 1.00 0.00 O ATOM 0 H ASP A 42 0.195 -12.574 8.156 1.00 0.00 H new ATOM 0 HA ASP A 42 2.415 -12.628 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.133 -13.410 8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.750 -14.928 8.084 1.00 0.00 H new ATOM 408 N GLY A 43 1.930 -14.810 4.980 1.00 0.00 N ATOM 409 CA GLY A 43 1.484 -15.766 3.981 1.00 0.00 C ATOM 410 C GLY A 43 2.159 -17.113 4.130 1.00 0.00 C ATOM 411 O GLY A 43 3.372 -17.229 3.963 1.00 0.00 O ATOM 0 H GLY A 43 2.939 -14.660 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.404 -15.893 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.686 -15.369 2.986 1.00 0.00 H new ATOM 415 N LEU A 44 1.372 -18.136 4.449 1.00 0.00 N ATOM 416 CA LEU A 44 1.906 -19.481 4.625 1.00 0.00 C ATOM 417 C LEU A 44 1.790 -20.290 3.344 1.00 0.00 C ATOM 418 O LEU A 44 2.653 -21.110 3.029 1.00 0.00 O ATOM 419 CB LEU A 44 1.182 -20.198 5.767 1.00 0.00 C ATOM 420 CG LEU A 44 2.028 -21.216 6.532 1.00 0.00 C ATOM 421 CD1 LEU A 44 2.364 -22.404 5.646 1.00 0.00 C ATOM 422 CD2 LEU A 44 3.298 -20.564 7.058 1.00 0.00 C ATOM 0 H LEU A 44 0.365 -18.059 4.590 1.00 0.00 H new ATOM 0 HA LEU A 44 2.963 -19.391 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.816 -19.450 6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.308 -20.707 5.360 1.00 0.00 H new ATOM 0 HG LEU A 44 1.449 -21.576 7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.967 -23.118 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.443 -22.885 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.924 -22.062 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.889 -21.303 7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.881 -20.176 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.036 -19.746 7.729 1.00 0.00 H new ATOM 434 N LEU A 45 0.716 -20.054 2.614 1.00 0.00 N ATOM 435 CA LEU A 45 0.469 -20.755 1.361 1.00 0.00 C ATOM 436 C LEU A 45 1.195 -20.083 0.207 1.00 0.00 C ATOM 437 O LEU A 45 1.948 -20.718 -0.530 1.00 0.00 O ATOM 438 CB LEU A 45 -1.032 -20.815 1.072 1.00 0.00 C ATOM 439 CG LEU A 45 -1.490 -22.044 0.283 1.00 0.00 C ATOM 440 CD1 LEU A 45 -1.677 -23.234 1.212 1.00 0.00 C ATOM 441 CD2 LEU A 45 -2.779 -21.744 -0.469 1.00 0.00 C ATOM 0 H LEU A 45 -0.005 -19.378 2.867 1.00 0.00 H new ATOM 0 HA LEU A 45 0.853 -21.770 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.570 -20.789 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.316 -19.920 0.519 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.718 -22.295 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.003 -24.099 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.732 -23.462 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.430 -22.995 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.090 -22.629 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.559 -21.468 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.612 -20.920 -1.163 1.00 0.00 H new ATOM 453 N GLU A 46 0.953 -18.794 0.063 1.00 0.00 N ATOM 454 CA GLU A 46 1.571 -18.005 -0.997 1.00 0.00 C ATOM 455 C GLU A 46 2.893 -17.390 -0.541 1.00 0.00 C ATOM 456 O GLU A 46 3.402 -16.468 -1.179 1.00 0.00 O ATOM 457 CB GLU A 46 0.618 -16.902 -1.462 1.00 0.00 C ATOM 458 CG GLU A 46 -0.814 -17.376 -1.663 1.00 0.00 C ATOM 459 CD GLU A 46 -1.192 -17.482 -3.126 1.00 0.00 C ATOM 460 OE1 GLU A 46 -0.668 -18.383 -3.812 1.00 0.00 O ATOM 461 OE2 GLU A 46 -2.015 -16.663 -3.588 1.00 0.00 O ATOM 0 H GLU A 46 0.328 -18.263 0.670 1.00 0.00 H new ATOM 0 HA GLU A 46 1.780 -18.677 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.625 -16.095 -0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.988 -16.485 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.941 -18.348 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.495 -16.686 -1.165 1.00 0.00 H new ATOM 468 N LYS A 47 3.445 -17.908 0.562 1.00 0.00 N ATOM 469 CA LYS A 47 4.711 -17.417 1.116 1.00 0.00 C ATOM 470 C LYS A 47 4.939 -15.937 0.806 1.00 0.00 C ATOM 471 O LYS A 47 5.637 -15.592 -0.146 1.00 0.00 O ATOM 472 CB LYS A 47 5.875 -18.246 0.573 1.00 0.00 C ATOM 473 CG LYS A 47 6.420 -19.257 1.570 1.00 0.00 C ATOM 474 CD LYS A 47 7.045 -18.570 2.773 1.00 0.00 C ATOM 475 CE LYS A 47 6.716 -19.300 4.065 1.00 0.00 C ATOM 476 NZ LYS A 47 7.079 -18.498 5.266 1.00 0.00 N ATOM 0 H LYS A 47 3.030 -18.674 1.092 1.00 0.00 H new ATOM 0 HA LYS A 47 4.656 -17.522 2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.548 -18.773 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.679 -17.574 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.615 -19.913 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.164 -19.887 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.127 -18.524 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.687 -17.542 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.651 -19.530 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.248 -20.251 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.838 -19.032 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.100 -18.300 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.552 -17.601 5.257 1.00 0.00 H new ATOM 490 N GLY A 48 4.344 -15.070 1.619 1.00 0.00 N ATOM 491 CA GLY A 48 4.493 -13.641 1.415 1.00 0.00 C ATOM 492 C GLY A 48 3.641 -12.826 2.371 1.00 0.00 C ATOM 493 O GLY A 48 3.362 -13.259 3.489 1.00 0.00 O ATOM 0 H GLY A 48 3.762 -15.331 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.540 -13.366 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.221 -13.393 0.389 1.00 0.00 H new ATOM 497 N VAL A 49 3.231 -11.640 1.930 1.00 0.00 N ATOM 498 CA VAL A 49 2.408 -10.758 2.752 1.00 0.00 C ATOM 499 C VAL A 49 1.304 -10.111 1.920 1.00 0.00 C ATOM 500 O VAL A 49 1.528 -9.709 0.778 1.00 0.00 O ATOM 501 CB VAL A 49 3.260 -9.654 3.414 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.380 -8.671 4.173 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.304 -10.261 4.339 1.00 0.00 C ATOM 0 H VAL A 49 3.455 -11.267 1.007 1.00 0.00 H new ATOM 0 HA VAL A 49 1.958 -11.372 3.532 1.00 0.00 H new ATOM 0 HB VAL A 49 3.777 -9.108 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.003 -7.903 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.677 -8.204 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.829 -9.201 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.893 -9.465 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.807 -10.837 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.961 -10.916 3.766 1.00 0.00 H new ATOM 513 N TYR A 50 0.112 -10.008 2.501 1.00 0.00 N ATOM 514 CA TYR A 50 -1.026 -9.405 1.813 1.00 0.00 C ATOM 515 C TYR A 50 -1.829 -8.531 2.769 1.00 0.00 C ATOM 516 O TYR A 50 -1.704 -8.650 3.987 1.00 0.00 O ATOM 517 CB TYR A 50 -1.941 -10.480 1.210 1.00 0.00 C ATOM 518 CG TYR A 50 -1.377 -11.881 1.270 1.00 0.00 C ATOM 519 CD1 TYR A 50 -1.161 -12.511 2.488 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.060 -12.571 0.109 1.00 0.00 C ATOM 521 CE1 TYR A 50 -0.645 -13.789 2.547 1.00 0.00 C ATOM 522 CE2 TYR A 50 -0.545 -13.850 0.158 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.338 -14.455 1.379 1.00 0.00 C ATOM 524 OH TYR A 50 0.176 -15.731 1.433 1.00 0.00 O ATOM 0 H TYR A 50 -0.091 -10.334 3.446 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.633 -8.787 1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.897 -10.463 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.143 -10.226 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.401 -11.992 3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.219 -12.099 -0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.482 -14.265 3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.305 -14.374 -0.755 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.468 -16.360 1.046 1.00 0.00 H new ATOM 534 N VAL A 51 -2.659 -7.660 2.210 1.00 0.00 N ATOM 535 CA VAL A 51 -3.488 -6.773 3.016 1.00 0.00 C ATOM 536 C VAL A 51 -4.458 -7.579 3.876 1.00 0.00 C ATOM 537 O VAL A 51 -4.705 -8.755 3.610 1.00 0.00 O ATOM 538 CB VAL A 51 -4.280 -5.793 2.128 1.00 0.00 C ATOM 539 CG1 VAL A 51 -5.099 -4.829 2.976 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.340 -5.031 1.207 1.00 0.00 C ATOM 0 H VAL A 51 -2.776 -7.549 1.203 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.824 -6.200 3.663 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.971 -6.372 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.648 -4.148 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.803 -5.392 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.433 -4.256 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.916 -4.344 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.623 -4.467 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.806 -5.735 0.569 1.00 0.00 H new ATOM 550 N LYS A 52 -5.003 -6.944 4.909 1.00 0.00 N ATOM 551 CA LYS A 52 -5.941 -7.615 5.803 1.00 0.00 C ATOM 552 C LYS A 52 -6.993 -6.652 6.336 1.00 0.00 C ATOM 553 O LYS A 52 -8.151 -7.024 6.527 1.00 0.00 O ATOM 554 CB LYS A 52 -5.196 -8.273 6.965 1.00 0.00 C ATOM 555 CG LYS A 52 -4.355 -7.304 7.777 1.00 0.00 C ATOM 556 CD LYS A 52 -4.172 -7.791 9.205 1.00 0.00 C ATOM 557 CE LYS A 52 -2.956 -7.154 9.854 1.00 0.00 C ATOM 558 NZ LYS A 52 -2.562 -7.857 11.106 1.00 0.00 N ATOM 0 H LYS A 52 -4.813 -5.971 5.147 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.452 -8.385 5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.920 -8.753 7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.551 -9.060 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.380 -7.182 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.831 -6.324 7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.063 -7.557 9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.063 -8.876 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.122 -7.167 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.169 -6.108 10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.728 -7.391 11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.349 -7.823 11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.334 -8.848 10.890 1.00 0.00 H new ATOM 572 N ASN A 53 -6.585 -5.420 6.570 1.00 0.00 N ATOM 573 CA ASN A 53 -7.493 -4.398 7.078 1.00 0.00 C ATOM 574 C ASN A 53 -7.164 -3.034 6.487 1.00 0.00 C ATOM 575 O ASN A 53 -5.996 -2.675 6.348 1.00 0.00 O ATOM 576 CB ASN A 53 -7.420 -4.337 8.605 1.00 0.00 C ATOM 577 CG ASN A 53 -8.277 -5.398 9.268 1.00 0.00 C ATOM 578 OD1 ASN A 53 -9.420 -5.141 9.647 1.00 0.00 O ATOM 579 ND2 ASN A 53 -7.728 -6.599 9.411 1.00 0.00 N ATOM 0 H ASN A 53 -5.629 -5.097 6.418 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.506 -4.667 6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.384 -4.460 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.741 -3.351 8.942 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.257 -7.353 9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.777 -6.768 9.082 1.00 0.00 H new ATOM 586 N ILE A 54 -8.198 -2.278 6.134 1.00 0.00 N ATOM 587 CA ILE A 54 -8.011 -0.956 5.553 1.00 0.00 C ATOM 588 C ILE A 54 -8.920 0.069 6.223 1.00 0.00 C ATOM 589 O ILE A 54 -10.109 -0.180 6.427 1.00 0.00 O ATOM 590 CB ILE A 54 -8.290 -0.972 4.040 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.448 -2.065 3.362 1.00 0.00 C ATOM 592 CG2 ILE A 54 -8.021 0.402 3.437 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.751 -1.627 2.086 1.00 0.00 C ATOM 0 H ILE A 54 -9.173 -2.559 6.240 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.971 -0.673 5.719 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.341 -1.205 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.696 -2.416 4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.093 -2.914 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.223 0.375 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.669 1.140 3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.979 0.675 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.181 -2.462 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.495 -1.305 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.076 -0.800 2.306 1.00 0.00 H new ATOM 605 N ARG A 55 -8.354 1.223 6.565 1.00 0.00 N ATOM 606 CA ARG A 55 -9.115 2.285 7.212 1.00 0.00 C ATOM 607 C ARG A 55 -10.181 2.844 6.270 1.00 0.00 C ATOM 608 O ARG A 55 -9.952 2.969 5.067 1.00 0.00 O ATOM 609 CB ARG A 55 -8.179 3.404 7.671 1.00 0.00 C ATOM 610 CG ARG A 55 -8.404 3.835 9.112 1.00 0.00 C ATOM 611 CD ARG A 55 -7.417 3.164 10.055 1.00 0.00 C ATOM 612 NE ARG A 55 -7.448 1.708 9.936 1.00 0.00 N ATOM 613 CZ ARG A 55 -6.979 0.878 10.866 1.00 0.00 C ATOM 614 NH1 ARG A 55 -6.441 1.356 11.981 1.00 0.00 N ATOM 615 NH2 ARG A 55 -7.047 -0.433 10.680 1.00 0.00 N ATOM 0 H ARG A 55 -7.372 1.446 6.405 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.615 1.862 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.147 3.072 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.311 4.267 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.304 4.918 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.422 3.587 9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.410 3.524 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.646 3.449 11.082 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.852 1.304 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.385 2.364 12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.083 0.716 12.690 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.459 -0.806 9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.688 -1.068 11.392 1.00 0.00 H new ATOM 629 N PRO A 56 -11.368 3.185 6.805 1.00 0.00 N ATOM 630 CA PRO A 56 -12.470 3.727 6.001 1.00 0.00 C ATOM 631 C PRO A 56 -12.078 4.998 5.253 1.00 0.00 C ATOM 632 O PRO A 56 -11.585 5.955 5.851 1.00 0.00 O ATOM 633 CB PRO A 56 -13.558 4.034 7.035 1.00 0.00 C ATOM 634 CG PRO A 56 -13.228 3.179 8.209 1.00 0.00 C ATOM 635 CD PRO A 56 -11.732 3.065 8.228 1.00 0.00 C ATOM 0 HA PRO A 56 -12.784 3.026 5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.560 5.090 7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.549 3.803 6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.597 3.625 9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.693 2.197 8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.276 3.852 8.828 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.406 2.114 8.648 1.00 0.00 H new ATOM 643 N ALA A 57 -12.308 5.001 3.942 1.00 0.00 N ATOM 644 CA ALA A 57 -11.990 6.151 3.098 1.00 0.00 C ATOM 645 C ALA A 57 -10.627 6.746 3.438 1.00 0.00 C ATOM 646 O ALA A 57 -10.407 7.948 3.284 1.00 0.00 O ATOM 647 CB ALA A 57 -13.073 7.210 3.225 1.00 0.00 C ATOM 0 H ALA A 57 -12.716 4.214 3.438 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.947 5.801 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.825 8.062 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.030 6.792 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.142 7.537 4.262 1.00 0.00 H new ATOM 653 N GLY A 58 -9.712 5.897 3.891 1.00 0.00 N ATOM 654 CA GLY A 58 -8.382 6.357 4.236 1.00 0.00 C ATOM 655 C GLY A 58 -7.401 6.159 3.097 1.00 0.00 C ATOM 656 O GLY A 58 -7.812 6.016 1.945 1.00 0.00 O ATOM 0 H GLY A 58 -9.868 4.898 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.421 7.413 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.029 5.820 5.116 1.00 0.00 H new ATOM 660 N PRO A 59 -6.090 6.136 3.382 1.00 0.00 N ATOM 661 CA PRO A 59 -5.068 5.942 2.351 1.00 0.00 C ATOM 662 C PRO A 59 -5.349 4.710 1.497 1.00 0.00 C ATOM 663 O PRO A 59 -5.447 4.798 0.273 1.00 0.00 O ATOM 664 CB PRO A 59 -3.779 5.758 3.154 1.00 0.00 C ATOM 665 CG PRO A 59 -4.033 6.455 4.446 1.00 0.00 C ATOM 666 CD PRO A 59 -5.502 6.289 4.726 1.00 0.00 C ATOM 0 HA PRO A 59 -5.027 6.776 1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.558 4.702 3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.924 6.189 2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.432 6.024 5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.765 7.510 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.696 5.418 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.912 7.154 5.248 1.00 0.00 H new ATOM 674 N GLY A 60 -5.482 3.563 2.154 1.00 0.00 N ATOM 675 CA GLY A 60 -5.754 2.324 1.448 1.00 0.00 C ATOM 676 C GLY A 60 -7.013 2.396 0.604 1.00 0.00 C ATOM 677 O GLY A 60 -7.052 1.863 -0.506 1.00 0.00 O ATOM 0 H GLY A 60 -5.406 3.469 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.906 2.081 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.851 1.513 2.170 1.00 0.00 H new ATOM 681 N ASP A 61 -8.042 3.060 1.122 1.00 0.00 N ATOM 682 CA ASP A 61 -9.298 3.199 0.400 1.00 0.00 C ATOM 683 C ASP A 61 -9.139 4.189 -0.744 1.00 0.00 C ATOM 684 O ASP A 61 -9.772 4.054 -1.791 1.00 0.00 O ATOM 685 CB ASP A 61 -10.408 3.663 1.346 1.00 0.00 C ATOM 686 CG ASP A 61 -11.750 3.042 1.010 1.00 0.00 C ATOM 687 OD1 ASP A 61 -12.206 3.200 -0.141 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.343 2.396 1.900 1.00 0.00 O ATOM 0 H ASP A 61 -8.029 3.509 2.038 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.572 2.227 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.139 3.408 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.491 4.749 1.300 1.00 0.00 H new ATOM 693 N LEU A 62 -8.287 5.185 -0.533 1.00 0.00 N ATOM 694 CA LEU A 62 -8.038 6.201 -1.543 1.00 0.00 C ATOM 695 C LEU A 62 -7.116 5.667 -2.634 1.00 0.00 C ATOM 696 O LEU A 62 -7.203 6.078 -3.792 1.00 0.00 O ATOM 697 CB LEU A 62 -7.426 7.449 -0.905 1.00 0.00 C ATOM 698 CG LEU A 62 -8.347 8.202 0.057 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.535 9.074 1.002 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.351 9.043 -0.717 1.00 0.00 C ATOM 0 H LEU A 62 -7.757 5.309 0.330 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.992 6.468 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.524 7.158 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.119 8.131 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.895 7.471 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.207 9.602 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.855 8.448 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.959 9.798 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.998 9.572 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.820 9.765 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.955 8.395 -1.352 1.00 0.00 H new ATOM 712 N GLY A 63 -6.233 4.747 -2.258 1.00 0.00 N ATOM 713 CA GLY A 63 -5.307 4.172 -3.215 1.00 0.00 C ATOM 714 C GLY A 63 -5.989 3.224 -4.182 1.00 0.00 C ATOM 715 O GLY A 63 -5.916 3.406 -5.397 1.00 0.00 O ATOM 0 H GLY A 63 -6.143 4.390 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.824 4.973 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.521 3.638 -2.680 1.00 0.00 H new ATOM 719 N GLY A 64 -6.656 2.209 -3.642 1.00 0.00 N ATOM 720 CA GLY A 64 -7.349 1.246 -4.480 1.00 0.00 C ATOM 721 C GLY A 64 -6.869 -0.176 -4.256 1.00 0.00 C ATOM 722 O GLY A 64 -6.848 -0.982 -5.186 1.00 0.00 O ATOM 0 H GLY A 64 -6.729 2.036 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.419 1.300 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.207 1.513 -5.527 1.00 0.00 H new ATOM 726 N LEU A 65 -6.486 -0.487 -3.021 1.00 0.00 N ATOM 727 CA LEU A 65 -6.008 -1.822 -2.685 1.00 0.00 C ATOM 728 C LEU A 65 -6.907 -2.475 -1.640 1.00 0.00 C ATOM 729 O LEU A 65 -7.245 -1.864 -0.627 1.00 0.00 O ATOM 730 CB LEU A 65 -4.569 -1.759 -2.172 1.00 0.00 C ATOM 731 CG LEU A 65 -4.362 -0.900 -0.920 1.00 0.00 C ATOM 732 CD1 LEU A 65 -4.157 -1.781 0.303 1.00 0.00 C ATOM 733 CD2 LEU A 65 -3.180 0.043 -1.107 1.00 0.00 C ATOM 0 H LEU A 65 -6.498 0.167 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.035 -2.428 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.231 -2.773 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.933 -1.373 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.257 -0.299 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.012 -1.154 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.034 -2.412 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.278 -2.409 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.049 0.645 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.276 -0.538 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.368 0.698 -1.958 1.00 0.00 H new ATOM 745 N LYS A 66 -7.293 -3.721 -1.896 1.00 0.00 N ATOM 746 CA LYS A 66 -8.157 -4.460 -0.983 1.00 0.00 C ATOM 747 C LYS A 66 -7.444 -5.702 -0.447 1.00 0.00 C ATOM 748 O LYS A 66 -6.378 -6.070 -0.937 1.00 0.00 O ATOM 749 CB LYS A 66 -9.452 -4.861 -1.695 1.00 0.00 C ATOM 750 CG LYS A 66 -10.634 -3.971 -1.347 1.00 0.00 C ATOM 751 CD LYS A 66 -11.461 -3.636 -2.577 1.00 0.00 C ATOM 752 CE LYS A 66 -12.520 -4.695 -2.845 1.00 0.00 C ATOM 753 NZ LYS A 66 -12.285 -5.401 -4.135 1.00 0.00 N ATOM 0 H LYS A 66 -7.020 -4.241 -2.730 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.400 -3.814 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.289 -4.831 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.695 -5.892 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.262 -4.471 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.275 -3.050 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.941 -2.667 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.806 -3.548 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.524 -5.419 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.505 -4.228 -2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.028 -6.114 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.307 -4.714 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.356 -5.868 -4.111 1.00 0.00 H new ATOM 767 N PRO A 67 -8.025 -6.369 0.568 1.00 0.00 N ATOM 768 CA PRO A 67 -7.438 -7.573 1.161 1.00 0.00 C ATOM 769 C PRO A 67 -6.927 -8.548 0.103 1.00 0.00 C ATOM 770 O PRO A 67 -7.501 -8.653 -0.980 1.00 0.00 O ATOM 771 CB PRO A 67 -8.597 -8.195 1.960 1.00 0.00 C ATOM 772 CG PRO A 67 -9.802 -7.356 1.666 1.00 0.00 C ATOM 773 CD PRO A 67 -9.289 -6.019 1.220 1.00 0.00 C ATOM 0 HA PRO A 67 -6.569 -7.339 1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.762 -9.231 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.376 -8.199 3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.415 -7.815 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.430 -7.255 2.551 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.978 -5.528 0.533 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.139 -5.341 2.060 1.00 0.00 H new ATOM 781 N TYR A 68 -5.837 -9.248 0.431 1.00 0.00 N ATOM 782 CA TYR A 68 -5.213 -10.222 -0.474 1.00 0.00 C ATOM 783 C TYR A 68 -4.135 -9.562 -1.334 1.00 0.00 C ATOM 784 O TYR A 68 -3.251 -10.239 -1.854 1.00 0.00 O ATOM 785 CB TYR A 68 -6.249 -10.911 -1.370 1.00 0.00 C ATOM 786 CG TYR A 68 -7.485 -11.371 -0.629 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.382 -12.080 0.561 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.755 -11.094 -1.121 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.508 -12.502 1.240 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.887 -11.512 -0.447 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.758 -12.216 0.732 1.00 0.00 C ATOM 792 OH TYR A 68 -10.882 -12.634 1.406 1.00 0.00 O ATOM 0 H TYR A 68 -5.362 -9.157 1.329 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.747 -10.983 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.546 -10.223 -2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.784 -11.771 -1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.405 -12.305 0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.859 -10.544 -2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.410 -13.053 2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.867 -11.289 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.682 -12.351 0.916 1.00 0.00 H new ATOM 802 N ASP A 69 -4.216 -8.239 -1.474 1.00 0.00 N ATOM 803 CA ASP A 69 -3.250 -7.478 -2.259 1.00 0.00 C ATOM 804 C ASP A 69 -1.831 -7.770 -1.794 1.00 0.00 C ATOM 805 O ASP A 69 -1.275 -7.057 -0.960 1.00 0.00 O ATOM 806 CB ASP A 69 -3.539 -5.979 -2.153 1.00 0.00 C ATOM 807 CG ASP A 69 -4.711 -5.555 -3.017 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.588 -6.402 -3.286 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.750 -4.374 -3.424 1.00 0.00 O ATOM 0 H ASP A 69 -4.948 -7.670 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.343 -7.782 -3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.746 -5.724 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.652 -5.419 -2.448 1.00 0.00 H new ATOM 814 N ARG A 70 -1.261 -8.834 -2.335 1.00 0.00 N ATOM 815 CA ARG A 70 0.085 -9.251 -1.982 1.00 0.00 C ATOM 816 C ARG A 70 1.123 -8.252 -2.488 1.00 0.00 C ATOM 817 O ARG A 70 1.409 -8.193 -3.684 1.00 0.00 O ATOM 818 CB ARG A 70 0.347 -10.634 -2.564 1.00 0.00 C ATOM 819 CG ARG A 70 1.531 -11.352 -1.935 1.00 0.00 C ATOM 820 CD ARG A 70 2.616 -11.654 -2.957 1.00 0.00 C ATOM 821 NE ARG A 70 3.024 -13.055 -2.924 1.00 0.00 N ATOM 822 CZ ARG A 70 2.336 -14.040 -3.500 1.00 0.00 C ATOM 823 NH1 ARG A 70 1.210 -13.780 -4.151 1.00 0.00 N ATOM 824 NH2 ARG A 70 2.778 -15.288 -3.425 1.00 0.00 N ATOM 0 H ARG A 70 -1.715 -9.430 -3.027 1.00 0.00 H new ATOM 0 HA ARG A 70 0.170 -9.289 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.546 -11.246 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.519 -10.540 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.946 -10.738 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.192 -12.282 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.254 -11.405 -3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.481 -11.020 -2.765 1.00 0.00 H new ATOM 0 HE ARG A 70 3.885 -13.294 -2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.866 -12.822 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.688 -14.538 -4.590 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.644 -15.493 -2.927 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.252 -16.043 -3.866 1.00 0.00 H new ATOM 838 N LEU A 71 1.683 -7.470 -1.570 1.00 0.00 N ATOM 839 CA LEU A 71 2.689 -6.473 -1.921 1.00 0.00 C ATOM 840 C LEU A 71 3.936 -7.137 -2.496 1.00 0.00 C ATOM 841 O LEU A 71 4.703 -7.770 -1.769 1.00 0.00 O ATOM 842 CB LEU A 71 3.064 -5.639 -0.695 1.00 0.00 C ATOM 843 CG LEU A 71 1.941 -4.759 -0.140 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.429 -5.314 1.181 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.421 -3.325 0.034 1.00 0.00 C ATOM 0 H LEU A 71 1.457 -7.508 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 71 2.263 -5.818 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.401 -6.312 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.910 -5.002 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 71 1.119 -4.762 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.631 -4.675 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.044 -6.322 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.244 -5.343 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.609 -2.715 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.261 -3.304 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.737 -2.928 -0.931 1.00 0.00 H new ATOM 857 N LEU A 72 4.135 -6.989 -3.800 1.00 0.00 N ATOM 858 CA LEU A 72 5.290 -7.576 -4.466 1.00 0.00 C ATOM 859 C LEU A 72 6.519 -6.682 -4.328 1.00 0.00 C ATOM 860 O LEU A 72 7.499 -7.055 -3.684 1.00 0.00 O ATOM 861 CB LEU A 72 4.985 -7.822 -5.947 1.00 0.00 C ATOM 862 CG LEU A 72 3.615 -8.440 -6.244 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.547 -8.898 -7.692 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.324 -9.607 -5.310 1.00 0.00 C ATOM 0 H LEU A 72 3.512 -6.468 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 72 5.505 -8.529 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.059 -6.873 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.756 -8.476 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 72 2.857 -7.675 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.568 -9.335 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.703 -8.044 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.321 -9.643 -7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.345 -10.025 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.087 -10.375 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.331 -9.257 -4.278 1.00 0.00 H new ATOM 876 N GLN A 73 6.459 -5.504 -4.939 1.00 0.00 N ATOM 877 CA GLN A 73 7.568 -4.560 -4.887 1.00 0.00 C ATOM 878 C GLN A 73 7.144 -3.248 -4.235 1.00 0.00 C ATOM 879 O GLN A 73 6.163 -2.627 -4.644 1.00 0.00 O ATOM 880 CB GLN A 73 8.101 -4.291 -6.296 1.00 0.00 C ATOM 881 CG GLN A 73 8.683 -5.521 -6.971 1.00 0.00 C ATOM 882 CD GLN A 73 9.275 -5.213 -8.334 1.00 0.00 C ATOM 883 OE1 GLN A 73 8.869 -5.788 -9.344 1.00 0.00 O ATOM 884 NE2 GLN A 73 10.240 -4.302 -8.366 1.00 0.00 N ATOM 0 H GLN A 73 5.654 -5.181 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 73 8.358 -5.004 -4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.293 -3.897 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.868 -3.518 -6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.455 -5.951 -6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.903 -6.275 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.544 -3.851 -7.503 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.677 -4.053 -9.253 1.00 0.00 H new ATOM 893 N VAL A 74 7.895 -2.832 -3.222 1.00 0.00 N ATOM 894 CA VAL A 74 7.604 -1.593 -2.513 1.00 0.00 C ATOM 895 C VAL A 74 8.657 -0.534 -2.823 1.00 0.00 C ATOM 896 O VAL A 74 9.795 -0.620 -2.358 1.00 0.00 O ATOM 897 CB VAL A 74 7.546 -1.816 -0.989 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.142 -0.538 -0.273 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.589 -2.950 -0.653 1.00 0.00 C ATOM 0 H VAL A 74 8.711 -3.336 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 74 6.628 -1.249 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 74 8.542 -2.095 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.107 -0.718 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.870 0.244 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.158 -0.222 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.560 -3.094 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.590 -2.702 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.930 -3.868 -1.132 1.00 0.00 H new ATOM 909 N ASN A 75 8.274 0.463 -3.619 1.00 0.00 N ATOM 910 CA ASN A 75 9.187 1.540 -3.998 1.00 0.00 C ATOM 911 C ASN A 75 10.193 1.049 -5.031 1.00 0.00 C ATOM 912 O ASN A 75 10.283 1.584 -6.137 1.00 0.00 O ATOM 913 CB ASN A 75 9.918 2.089 -2.768 1.00 0.00 C ATOM 914 CG ASN A 75 9.742 3.588 -2.613 1.00 0.00 C ATOM 915 OD1 ASN A 75 9.797 4.335 -3.590 1.00 0.00 O ATOM 916 ND2 ASN A 75 9.530 4.034 -1.380 1.00 0.00 N ATOM 0 H ASN A 75 7.337 0.547 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 75 8.598 2.345 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.547 1.588 -1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.980 1.857 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.405 5.032 -1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.492 3.378 -0.600 1.00 0.00 H new ATOM 923 N HIS A 76 10.944 0.025 -4.655 1.00 0.00 N ATOM 924 CA HIS A 76 11.951 -0.563 -5.530 1.00 0.00 C ATOM 925 C HIS A 76 12.440 -1.903 -4.978 1.00 0.00 C ATOM 926 O HIS A 76 13.025 -2.705 -5.707 1.00 0.00 O ATOM 927 CB HIS A 76 13.132 0.395 -5.695 1.00 0.00 C ATOM 928 CG HIS A 76 13.765 0.793 -4.398 1.00 0.00 C ATOM 929 ND1 HIS A 76 14.772 0.069 -3.797 1.00 0.00 N ATOM 930 CD2 HIS A 76 13.528 1.850 -3.583 1.00 0.00 C ATOM 931 CE1 HIS A 76 15.127 0.661 -2.671 1.00 0.00 C ATOM 932 NE2 HIS A 76 14.388 1.743 -2.519 1.00 0.00 N ATOM 0 H HIS A 76 10.875 -0.421 -3.740 1.00 0.00 H new ATOM 0 HA HIS A 76 11.493 -0.738 -6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.885 -0.075 -6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.793 1.291 -6.214 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.799 2.631 -3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.892 0.318 -1.991 1.00 0.00 H new ATOM 0 HE2 HIS A 76 14.446 2.395 -1.737 1.00 0.00 H new ATOM 941 N VAL A 77 12.196 -2.142 -3.689 1.00 0.00 N ATOM 942 CA VAL A 77 12.611 -3.385 -3.052 1.00 0.00 C ATOM 943 C VAL A 77 11.571 -4.481 -3.256 1.00 0.00 C ATOM 944 O VAL A 77 10.398 -4.306 -2.926 1.00 0.00 O ATOM 945 CB VAL A 77 12.845 -3.191 -1.542 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.465 -4.437 -0.932 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.721 -1.972 -1.290 1.00 0.00 C ATOM 0 H VAL A 77 11.714 -1.491 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 77 13.548 -3.684 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 77 11.881 -3.023 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.622 -4.280 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.797 -5.285 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.421 -4.641 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.876 -1.850 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.684 -2.108 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.232 -1.084 -1.689 1.00 0.00 H new ATOM 957 N ARG A 78 12.008 -5.613 -3.797 1.00 0.00 N ATOM 958 CA ARG A 78 11.112 -6.738 -4.041 1.00 0.00 C ATOM 959 C ARG A 78 10.672 -7.371 -2.724 1.00 0.00 C ATOM 960 O ARG A 78 11.262 -8.350 -2.267 1.00 0.00 O ATOM 961 CB ARG A 78 11.798 -7.784 -4.920 1.00 0.00 C ATOM 962 CG ARG A 78 12.305 -7.229 -6.242 1.00 0.00 C ATOM 963 CD ARG A 78 11.818 -8.054 -7.423 1.00 0.00 C ATOM 964 NE ARG A 78 12.881 -8.299 -8.396 1.00 0.00 N ATOM 965 CZ ARG A 78 13.934 -9.079 -8.162 1.00 0.00 C ATOM 966 NH1 ARG A 78 14.070 -9.690 -6.991 1.00 0.00 N ATOM 967 NH2 ARG A 78 14.855 -9.248 -9.102 1.00 0.00 N ATOM 0 H ARG A 78 12.976 -5.776 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 78 10.229 -6.364 -4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.635 -8.215 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.097 -8.594 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.970 -6.198 -6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.395 -7.212 -6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.429 -9.007 -7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.992 -7.536 -7.911 1.00 0.00 H new ATOM 0 HE ARG A 78 12.812 -7.846 -9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.365 -9.563 -6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.879 -10.286 -6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.756 -8.780 -10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.662 -9.845 -8.924 1.00 0.00 H new ATOM 981 N THR A 79 9.635 -6.803 -2.117 1.00 0.00 N ATOM 982 CA THR A 79 9.119 -7.312 -0.851 1.00 0.00 C ATOM 983 C THR A 79 7.962 -8.280 -1.077 1.00 0.00 C ATOM 984 O THR A 79 6.946 -8.223 -0.383 1.00 0.00 O ATOM 985 CB THR A 79 8.663 -6.153 0.039 1.00 0.00 C ATOM 986 OG1 THR A 79 7.439 -5.614 -0.427 1.00 0.00 O ATOM 987 CG2 THR A 79 9.667 -5.020 0.108 1.00 0.00 C ATOM 0 H THR A 79 9.136 -5.991 -2.481 1.00 0.00 H new ATOM 0 HA THR A 79 9.924 -7.852 -0.353 1.00 0.00 H new ATOM 0 HB THR A 79 8.552 -6.581 1.035 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.718 -6.259 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.282 -4.232 0.755 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.609 -5.392 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.833 -4.620 -0.892 1.00 0.00 H new ATOM 995 N ARG A 80 8.123 -9.174 -2.048 1.00 0.00 N ATOM 996 CA ARG A 80 7.092 -10.156 -2.358 1.00 0.00 C ATOM 997 C ARG A 80 7.160 -11.332 -1.388 1.00 0.00 C ATOM 998 O ARG A 80 6.142 -11.759 -0.845 1.00 0.00 O ATOM 999 CB ARG A 80 7.245 -10.654 -3.797 1.00 0.00 C ATOM 1000 CG ARG A 80 5.917 -10.868 -4.508 1.00 0.00 C ATOM 1001 CD ARG A 80 5.881 -12.202 -5.240 1.00 0.00 C ATOM 1002 NE ARG A 80 5.408 -12.059 -6.614 1.00 0.00 N ATOM 1003 CZ ARG A 80 6.165 -11.612 -7.616 1.00 0.00 C ATOM 1004 NH1 ARG A 80 7.427 -11.264 -7.400 1.00 0.00 N ATOM 1005 NH2 ARG A 80 5.657 -11.516 -8.837 1.00 0.00 N ATOM 0 H ARG A 80 8.957 -9.238 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 80 6.120 -9.674 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.839 -9.935 -4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.801 -11.592 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.105 -10.829 -3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.749 -10.058 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.879 -12.641 -5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.231 -12.893 -4.703 1.00 0.00 H new ATOM 0 HE ARG A 80 4.442 -12.316 -6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.823 -11.338 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.001 -10.923 -8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.688 -11.784 -9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.235 -11.174 -9.605 1.00 0.00 H new ATOM 1019 N ASP A 81 8.366 -11.845 -1.172 1.00 0.00 N ATOM 1020 CA ASP A 81 8.571 -12.968 -0.263 1.00 0.00 C ATOM 1021 C ASP A 81 8.913 -12.480 1.144 1.00 0.00 C ATOM 1022 O ASP A 81 9.491 -13.220 1.940 1.00 0.00 O ATOM 1023 CB ASP A 81 9.684 -13.878 -0.785 1.00 0.00 C ATOM 1024 CG ASP A 81 9.327 -14.532 -2.104 1.00 0.00 C ATOM 1025 OD1 ASP A 81 8.216 -15.094 -2.206 1.00 0.00 O ATOM 1026 OD2 ASP A 81 10.158 -14.485 -3.035 1.00 0.00 O ATOM 0 H ASP A 81 9.218 -11.501 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 81 7.641 -13.534 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.598 -13.296 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.895 -14.650 -0.045 1.00 0.00 H new ATOM 1031 N PHE A 82 8.555 -11.235 1.446 1.00 0.00 N ATOM 1032 CA PHE A 82 8.825 -10.658 2.755 1.00 0.00 C ATOM 1033 C PHE A 82 7.771 -11.088 3.768 1.00 0.00 C ATOM 1034 O PHE A 82 6.756 -11.683 3.405 1.00 0.00 O ATOM 1035 CB PHE A 82 8.860 -9.130 2.661 1.00 0.00 C ATOM 1036 CG PHE A 82 10.204 -8.576 2.283 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.022 -9.243 1.385 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.650 -7.381 2.827 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.258 -8.733 1.038 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.885 -6.866 2.484 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.689 -7.541 1.588 1.00 0.00 C ATOM 0 H PHE A 82 8.077 -10.607 0.800 1.00 0.00 H new ATOM 0 HA PHE A 82 9.796 -11.021 3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.123 -8.804 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.561 -8.709 3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.689 -10.174 0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.025 -6.847 3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.886 -9.265 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.221 -5.935 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.654 -7.138 1.317 1.00 0.00 H new ATOM 1051 N ASP A 83 8.016 -10.779 5.035 1.00 0.00 N ATOM 1052 CA ASP A 83 7.083 -11.128 6.097 1.00 0.00 C ATOM 1053 C ASP A 83 6.345 -9.887 6.585 1.00 0.00 C ATOM 1054 O ASP A 83 6.799 -8.763 6.374 1.00 0.00 O ATOM 1055 CB ASP A 83 7.824 -11.787 7.262 1.00 0.00 C ATOM 1056 CG ASP A 83 8.009 -13.278 7.058 1.00 0.00 C ATOM 1057 OD1 ASP A 83 8.219 -13.698 5.900 1.00 0.00 O ATOM 1058 OD2 ASP A 83 7.943 -14.026 8.056 1.00 0.00 O ATOM 0 H ASP A 83 8.852 -10.288 5.351 1.00 0.00 H new ATOM 0 HA ASP A 83 6.356 -11.835 5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.799 -11.315 7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.271 -11.615 8.185 1.00 0.00 H new ATOM 1063 N CYS A 84 5.207 -10.095 7.239 1.00 0.00 N ATOM 1064 CA CYS A 84 4.412 -8.986 7.753 1.00 0.00 C ATOM 1065 C CYS A 84 5.274 -8.048 8.591 1.00 0.00 C ATOM 1066 O CYS A 84 5.163 -6.827 8.489 1.00 0.00 O ATOM 1067 CB CYS A 84 3.246 -9.513 8.592 1.00 0.00 C ATOM 1068 SG CYS A 84 3.727 -10.731 9.841 1.00 0.00 S ATOM 0 H CYS A 84 4.816 -11.018 7.425 1.00 0.00 H new ATOM 0 HA CYS A 84 4.015 -8.428 6.905 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.760 -8.673 9.088 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.508 -9.962 7.927 1.00 0.00 H new ATOM 0 HG CYS A 84 4.087 -11.834 9.255 1.00 0.00 H new ATOM 1074 N CYS A 85 6.137 -8.629 9.417 1.00 0.00 N ATOM 1075 CA CYS A 85 7.021 -7.851 10.270 1.00 0.00 C ATOM 1076 C CYS A 85 7.992 -7.013 9.442 1.00 0.00 C ATOM 1077 O CYS A 85 8.513 -6.003 9.914 1.00 0.00 O ATOM 1078 CB CYS A 85 7.796 -8.771 11.211 1.00 0.00 C ATOM 1079 SG CYS A 85 6.974 -9.071 12.793 1.00 0.00 S ATOM 0 H CYS A 85 6.242 -9.639 9.512 1.00 0.00 H new ATOM 0 HA CYS A 85 6.404 -7.173 10.861 1.00 0.00 H new ATOM 0 HB2 CYS A 85 7.962 -9.726 10.713 1.00 0.00 H new ATOM 0 HB3 CYS A 85 8.777 -8.336 11.400 1.00 0.00 H new ATOM 0 HG CYS A 85 7.706 -9.863 13.519 1.00 0.00 H new ATOM 1085 N LEU A 86 8.234 -7.439 8.204 1.00 0.00 N ATOM 1086 CA LEU A 86 9.145 -6.727 7.315 1.00 0.00 C ATOM 1087 C LEU A 86 8.386 -5.736 6.435 1.00 0.00 C ATOM 1088 O LEU A 86 8.915 -4.687 6.061 1.00 0.00 O ATOM 1089 CB LEU A 86 9.915 -7.721 6.440 1.00 0.00 C ATOM 1090 CG LEU A 86 11.367 -7.967 6.865 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.617 -9.450 7.088 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.329 -7.414 5.823 1.00 0.00 C ATOM 0 H LEU A 86 7.812 -8.273 7.796 1.00 0.00 H new ATOM 0 HA LEU A 86 9.852 -6.169 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.384 -8.673 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.909 -7.358 5.412 1.00 0.00 H new ATOM 0 HG LEU A 86 11.541 -7.446 7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.653 -9.603 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.954 -9.817 7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.423 -9.995 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.355 -7.598 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.152 -7.906 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.170 -6.341 5.714 1.00 0.00 H new ATOM 1104 N VAL A 87 7.143 -6.075 6.112 1.00 0.00 N ATOM 1105 CA VAL A 87 6.313 -5.219 5.278 1.00 0.00 C ATOM 1106 C VAL A 87 5.713 -4.071 6.084 1.00 0.00 C ATOM 1107 O VAL A 87 5.569 -2.959 5.576 1.00 0.00 O ATOM 1108 CB VAL A 87 5.182 -6.022 4.607 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.337 -5.126 3.714 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.760 -7.184 3.813 1.00 0.00 C ATOM 0 H VAL A 87 6.690 -6.937 6.416 1.00 0.00 H new ATOM 0 HA VAL A 87 6.960 -4.804 4.505 1.00 0.00 H new ATOM 0 HB VAL A 87 4.535 -6.423 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.545 -5.716 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.894 -4.330 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.965 -4.690 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.950 -7.743 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.430 -6.801 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.315 -7.842 4.482 1.00 0.00 H new ATOM 1120 N VAL A 88 5.362 -4.337 7.340 1.00 0.00 N ATOM 1121 CA VAL A 88 4.780 -3.307 8.192 1.00 0.00 C ATOM 1122 C VAL A 88 5.712 -2.098 8.303 1.00 0.00 C ATOM 1123 O VAL A 88 5.292 -0.963 8.076 1.00 0.00 O ATOM 1124 CB VAL A 88 4.441 -3.838 9.602 1.00 0.00 C ATOM 1125 CG1 VAL A 88 3.877 -2.727 10.478 1.00 0.00 C ATOM 1126 CG2 VAL A 88 3.459 -4.997 9.513 1.00 0.00 C ATOM 0 H VAL A 88 5.470 -5.248 7.786 1.00 0.00 H new ATOM 0 HA VAL A 88 3.848 -2.999 7.718 1.00 0.00 H new ATOM 0 HB VAL A 88 5.362 -4.198 10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.646 -3.125 11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.613 -1.928 10.571 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.968 -2.332 10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.231 -5.359 10.516 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.541 -4.660 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.900 -5.804 8.928 1.00 0.00 H new ATOM 1136 N PRO A 89 6.997 -2.323 8.636 1.00 0.00 N ATOM 1137 CA PRO A 89 7.979 -1.245 8.754 1.00 0.00 C ATOM 1138 C PRO A 89 8.330 -0.657 7.392 1.00 0.00 C ATOM 1139 O PRO A 89 8.344 0.564 7.216 1.00 0.00 O ATOM 1140 CB PRO A 89 9.210 -1.924 9.379 1.00 0.00 C ATOM 1141 CG PRO A 89 8.740 -3.272 9.821 1.00 0.00 C ATOM 1142 CD PRO A 89 7.605 -3.629 8.910 1.00 0.00 C ATOM 0 HA PRO A 89 7.602 -0.414 9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.021 -2.009 8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.592 -1.346 10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.542 -4.007 9.753 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.415 -3.251 10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.953 -4.114 7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.902 -4.312 9.386 1.00 0.00 H new ATOM 1150 N LEU A 90 8.602 -1.534 6.425 1.00 0.00 N ATOM 1151 CA LEU A 90 8.944 -1.102 5.078 1.00 0.00 C ATOM 1152 C LEU A 90 7.873 -0.165 4.529 1.00 0.00 C ATOM 1153 O LEU A 90 8.162 0.735 3.739 1.00 0.00 O ATOM 1154 CB LEU A 90 9.103 -2.312 4.155 1.00 0.00 C ATOM 1155 CG LEU A 90 10.416 -3.078 4.316 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.361 -4.397 3.561 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.586 -2.235 3.837 1.00 0.00 C ATOM 0 H LEU A 90 8.591 -2.546 6.554 1.00 0.00 H new ATOM 0 HA LEU A 90 9.891 -0.564 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.275 -2.998 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.020 -1.975 3.122 1.00 0.00 H new ATOM 0 HG LEU A 90 10.560 -3.296 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.304 -4.928 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.546 -5.006 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.193 -4.203 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.513 -2.796 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.448 -1.986 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.637 -1.318 4.423 1.00 0.00 H new ATOM 1169 N ILE A 91 6.638 -0.379 4.968 1.00 0.00 N ATOM 1170 CA ILE A 91 5.516 0.446 4.542 1.00 0.00 C ATOM 1171 C ILE A 91 5.514 1.775 5.293 1.00 0.00 C ATOM 1172 O ILE A 91 5.261 2.830 4.711 1.00 0.00 O ATOM 1173 CB ILE A 91 4.173 -0.289 4.777 1.00 0.00 C ATOM 1174 CG1 ILE A 91 4.016 -1.435 3.774 1.00 0.00 C ATOM 1175 CG2 ILE A 91 2.989 0.668 4.681 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.952 -2.437 4.165 1.00 0.00 C ATOM 0 H ILE A 91 6.389 -1.121 5.622 1.00 0.00 H new ATOM 0 HA ILE A 91 5.628 0.640 3.475 1.00 0.00 H new ATOM 0 HB ILE A 91 4.187 -0.699 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.772 -1.020 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.970 -1.951 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.063 0.119 4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.091 1.450 5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.966 1.120 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.895 -3.221 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.205 -2.879 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.988 -1.934 4.239 1.00 0.00 H new ATOM 1188 N ALA A 92 5.787 1.711 6.592 1.00 0.00 N ATOM 1189 CA ALA A 92 5.807 2.894 7.435 1.00 0.00 C ATOM 1190 C ALA A 92 7.060 3.741 7.222 1.00 0.00 C ATOM 1191 O ALA A 92 7.191 4.817 7.805 1.00 0.00 O ATOM 1192 CB ALA A 92 5.699 2.488 8.895 1.00 0.00 C ATOM 0 H ALA A 92 5.999 0.843 7.084 1.00 0.00 H new ATOM 0 HA ALA A 92 4.951 3.507 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.715 3.379 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.766 1.948 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.539 1.845 9.157 1.00 0.00 H new ATOM 1198 N GLU A 93 7.984 3.257 6.398 1.00 0.00 N ATOM 1199 CA GLU A 93 9.223 3.991 6.141 1.00 0.00 C ATOM 1200 C GLU A 93 9.244 4.606 4.743 1.00 0.00 C ATOM 1201 O GLU A 93 10.187 5.311 4.387 1.00 0.00 O ATOM 1202 CB GLU A 93 10.428 3.068 6.314 1.00 0.00 C ATOM 1203 CG GLU A 93 10.420 1.885 5.361 1.00 0.00 C ATOM 1204 CD GLU A 93 11.715 1.098 5.396 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.077 0.599 6.482 1.00 0.00 O ATOM 1206 OE2 GLU A 93 12.366 0.982 4.337 1.00 0.00 O ATOM 0 H GLU A 93 7.903 2.370 5.901 1.00 0.00 H new ATOM 0 HA GLU A 93 9.274 4.804 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.342 3.642 6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.450 2.699 7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.591 1.224 5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.244 2.242 4.346 1.00 0.00 H new ATOM 1213 N SER A 94 8.209 4.342 3.953 1.00 0.00 N ATOM 1214 CA SER A 94 8.135 4.882 2.599 1.00 0.00 C ATOM 1215 C SER A 94 8.042 6.404 2.611 1.00 0.00 C ATOM 1216 O SER A 94 8.262 7.057 1.591 1.00 0.00 O ATOM 1217 CB SER A 94 6.940 4.291 1.852 1.00 0.00 C ATOM 1218 OG SER A 94 7.069 4.490 0.455 1.00 0.00 O ATOM 0 H SER A 94 7.415 3.762 4.223 1.00 0.00 H new ATOM 0 HA SER A 94 9.053 4.602 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.863 3.225 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.019 4.754 2.206 1.00 0.00 H new ATOM 0 HG SER A 94 6.865 5.424 0.237 1.00 0.00 H new ATOM 1224 N GLY A 95 7.714 6.965 3.769 1.00 0.00 N ATOM 1225 CA GLY A 95 7.600 8.406 3.889 1.00 0.00 C ATOM 1226 C GLY A 95 6.167 8.889 3.771 1.00 0.00 C ATOM 1227 O GLY A 95 5.240 8.220 4.226 1.00 0.00 O ATOM 0 H GLY A 95 7.525 6.447 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.008 8.720 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.204 8.880 3.116 1.00 0.00 H new ATOM 1231 N ASN A 96 5.987 10.056 3.161 1.00 0.00 N ATOM 1232 CA ASN A 96 4.660 10.634 2.984 1.00 0.00 C ATOM 1233 C ASN A 96 3.866 9.891 1.909 1.00 0.00 C ATOM 1234 O ASN A 96 2.664 10.109 1.756 1.00 0.00 O ATOM 1235 CB ASN A 96 4.773 12.117 2.621 1.00 0.00 C ATOM 1236 CG ASN A 96 4.347 13.025 3.758 1.00 0.00 C ATOM 1237 OD1 ASN A 96 3.423 13.827 3.615 1.00 0.00 O ATOM 1238 ND2 ASN A 96 5.020 12.904 4.896 1.00 0.00 N ATOM 0 H ASN A 96 6.746 10.621 2.780 1.00 0.00 H new ATOM 0 HA ASN A 96 4.124 10.534 3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.803 12.343 2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.157 12.322 1.746 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.778 13.489 5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.779 12.226 4.970 1.00 0.00 H new ATOM 1245 N LYS A 97 4.540 9.017 1.166 1.00 0.00 N ATOM 1246 CA LYS A 97 3.886 8.251 0.110 1.00 0.00 C ATOM 1247 C LYS A 97 4.406 6.819 0.073 1.00 0.00 C ATOM 1248 O LYS A 97 5.510 6.537 0.538 1.00 0.00 O ATOM 1249 CB LYS A 97 4.108 8.921 -1.248 1.00 0.00 C ATOM 1250 CG LYS A 97 3.387 10.250 -1.397 1.00 0.00 C ATOM 1251 CD LYS A 97 3.680 10.895 -2.743 1.00 0.00 C ATOM 1252 CE LYS A 97 3.029 10.127 -3.882 1.00 0.00 C ATOM 1253 NZ LYS A 97 2.494 11.037 -4.935 1.00 0.00 N ATOM 0 H LYS A 97 5.535 8.822 1.275 1.00 0.00 H new ATOM 0 HA LYS A 97 2.818 8.225 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.176 9.079 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.774 8.246 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.313 10.096 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.693 10.923 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.317 11.923 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.758 10.937 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.758 9.449 -4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.219 9.512 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.059 10.473 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.779 11.668 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.270 11.606 -5.329 1.00 0.00 H new ATOM 1267 N LEU A 98 3.605 5.917 -0.488 1.00 0.00 N ATOM 1268 CA LEU A 98 3.991 4.514 -0.588 1.00 0.00 C ATOM 1269 C LEU A 98 3.612 3.938 -1.947 1.00 0.00 C ATOM 1270 O LEU A 98 2.475 3.516 -2.155 1.00 0.00 O ATOM 1271 CB LEU A 98 3.321 3.696 0.521 1.00 0.00 C ATOM 1272 CG LEU A 98 4.203 2.640 1.202 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.337 1.584 1.866 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.152 1.995 0.201 1.00 0.00 C ATOM 0 H LEU A 98 2.688 6.132 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 98 5.074 4.457 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.957 4.384 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.448 3.196 0.100 1.00 0.00 H new ATOM 0 HG LEU A 98 4.803 3.136 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.973 0.840 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.700 2.054 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.715 1.098 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.766 1.251 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.575 1.513 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.795 2.759 -0.235 1.00 0.00 H new ATOM 1286 N ASP A 99 4.574 3.903 -2.862 1.00 0.00 N ATOM 1287 CA ASP A 99 4.339 3.357 -4.192 1.00 0.00 C ATOM 1288 C ASP A 99 4.746 1.890 -4.227 1.00 0.00 C ATOM 1289 O ASP A 99 5.907 1.555 -3.993 1.00 0.00 O ATOM 1290 CB ASP A 99 5.124 4.148 -5.242 1.00 0.00 C ATOM 1291 CG ASP A 99 4.219 4.820 -6.256 1.00 0.00 C ATOM 1292 OD1 ASP A 99 3.607 4.102 -7.074 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.121 6.064 -6.231 1.00 0.00 O ATOM 0 H ASP A 99 5.522 4.246 -2.707 1.00 0.00 H new ATOM 0 HA ASP A 99 3.277 3.438 -4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.731 4.904 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.810 3.478 -5.760 1.00 0.00 H new ATOM 1298 N LEU A 100 3.785 1.014 -4.497 1.00 0.00 N ATOM 1299 CA LEU A 100 4.065 -0.417 -4.533 1.00 0.00 C ATOM 1300 C LEU A 100 3.181 -1.147 -5.536 1.00 0.00 C ATOM 1301 O LEU A 100 2.158 -0.628 -5.982 1.00 0.00 O ATOM 1302 CB LEU A 100 3.866 -1.021 -3.143 1.00 0.00 C ATOM 1303 CG LEU A 100 2.615 -0.541 -2.403 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.450 -1.488 -2.650 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.896 -0.410 -0.914 1.00 0.00 C ATOM 0 H LEU A 100 2.816 1.265 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 100 5.101 -0.539 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.820 -2.106 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.741 -0.791 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 100 2.342 0.441 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.570 -1.130 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.234 -1.529 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.710 -2.485 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.996 -0.068 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.195 -1.379 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.699 0.311 -0.757 1.00 0.00 H new ATOM 1317 N VAL A 101 3.586 -2.367 -5.870 1.00 0.00 N ATOM 1318 CA VAL A 101 2.843 -3.204 -6.802 1.00 0.00 C ATOM 1319 C VAL A 101 2.325 -4.449 -6.090 1.00 0.00 C ATOM 1320 O VAL A 101 3.098 -5.335 -5.726 1.00 0.00 O ATOM 1321 CB VAL A 101 3.724 -3.626 -7.995 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.920 -4.442 -8.993 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.336 -2.405 -8.662 1.00 0.00 C ATOM 0 H VAL A 101 4.434 -2.801 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 101 2.003 -2.620 -7.179 1.00 0.00 H new ATOM 0 HB VAL A 101 4.534 -4.253 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.560 -4.730 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.535 -5.337 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.087 -3.845 -9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.955 -2.721 -9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.542 -1.751 -9.022 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.951 -1.866 -7.941 1.00 0.00 H new ATOM 1333 N ILE A 102 1.014 -4.504 -5.879 1.00 0.00 N ATOM 1334 CA ILE A 102 0.399 -5.634 -5.195 1.00 0.00 C ATOM 1335 C ILE A 102 -0.267 -6.588 -6.183 1.00 0.00 C ATOM 1336 O ILE A 102 -0.421 -6.272 -7.362 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.652 -5.159 -4.171 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.803 -4.450 -4.884 1.00 0.00 C ATOM 1339 CG2 ILE A 102 -0.016 -4.239 -3.135 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.884 -5.394 -5.358 1.00 0.00 C ATOM 0 H ILE A 102 0.358 -3.780 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 102 1.199 -6.161 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.049 -6.032 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.242 -3.715 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.409 -3.901 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.774 -3.915 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.773 -4.775 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.409 -3.368 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.670 -4.826 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.458 -6.113 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.304 -5.924 -4.503 1.00 0.00 H new ATOM 1352 N SER A 103 -0.662 -7.756 -5.687 1.00 0.00 N ATOM 1353 CA SER A 103 -1.318 -8.759 -6.518 1.00 0.00 C ATOM 1354 C SER A 103 -2.453 -9.434 -5.753 1.00 0.00 C ATOM 1355 O SER A 103 -2.241 -10.009 -4.685 1.00 0.00 O ATOM 1356 CB SER A 103 -0.301 -9.805 -6.982 1.00 0.00 C ATOM 1357 OG SER A 103 -0.401 -10.027 -8.378 1.00 0.00 O ATOM 0 H SER A 103 -0.539 -8.031 -4.713 1.00 0.00 H new ATOM 0 HA SER A 103 -1.739 -8.261 -7.391 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.707 -9.472 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.468 -10.741 -6.449 1.00 0.00 H new ATOM 0 HG SER A 103 0.477 -10.280 -8.733 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.663 -9.355 -6.302 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.832 -9.954 -5.664 1.00 0.00 C ATOM 1365 C ARG A 104 -5.663 -10.747 -6.670 1.00 0.00 C ATOM 1366 O ARG A 104 -5.869 -10.310 -7.803 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.691 -8.866 -5.015 1.00 0.00 C ATOM 1368 CG ARG A 104 -6.995 -9.382 -4.427 1.00 0.00 C ATOM 1369 CD ARG A 104 -8.167 -9.133 -5.362 1.00 0.00 C ATOM 1370 NE ARG A 104 -8.452 -7.707 -5.516 1.00 0.00 N ATOM 1371 CZ ARG A 104 -9.375 -7.222 -6.344 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -10.102 -8.042 -7.092 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -9.570 -5.913 -6.424 1.00 0.00 N ATOM 0 H ARG A 104 -3.859 -8.883 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.483 -10.643 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.114 -8.383 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.916 -8.102 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -6.908 -10.450 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.182 -8.894 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.950 -9.567 -6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.052 -9.640 -4.977 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.913 -7.046 -4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.955 -9.050 -7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.808 -7.665 -7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.013 -5.278 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.277 -5.540 -7.058 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.143 -11.913 -6.246 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.957 -12.767 -7.106 1.00 0.00 C ATOM 1389 C ASN A 105 -8.405 -12.285 -7.130 1.00 0.00 C ATOM 1390 O ASN A 105 -8.868 -11.643 -6.186 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.903 -14.220 -6.623 1.00 0.00 C ATOM 1392 CG ASN A 105 -5.505 -14.649 -6.219 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -4.761 -15.214 -7.020 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -5.143 -14.386 -4.969 1.00 0.00 N ATOM 0 H ASN A 105 -5.982 -12.288 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.552 -12.713 -8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.576 -14.342 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -7.266 -14.876 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.216 -14.654 -4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.792 -13.915 -4.338 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.145 -12.587 -8.211 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.546 -12.179 -8.345 1.00 0.00 C ATOM 1403 C PRO A 106 -11.475 -12.996 -7.452 1.00 0.00 C ATOM 1404 O PRO A 106 -12.636 -13.220 -7.857 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.851 -12.445 -9.818 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.929 -13.551 -10.199 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.677 -13.351 -9.386 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.036 -13.405 -6.358 1.00 0.00 O ATOM 0 HA PRO A 106 -10.701 -11.143 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.893 -12.730 -9.962 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.677 -11.557 -10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.378 -14.522 -9.990 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.709 -13.525 -11.266 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.232 -14.302 -9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.919 -12.802 -9.945 1.00 0.00 H new TER 1416 PRO A 106