USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 ASN : amide:sc= -8.39! C(o=-20!,f=-33!) USER MOD Set 1.2: A 66 HIS : no HE2:sc= -11.4! C(o=-20!,f=-36!) USER MOD Set 2.1: A 51 HIS : no HD1:sc= -0.508 K(o=-2.7,f=-3.7) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -2.21 K(o=-2.7,f=-3.3!) USER MOD Set 3.1: A 39 GLN : amide:sc= -3.78! C(o=-3.3!,f=-3.4!) USER MOD Set 3.2: A 44 TYR OH : rot 69:sc= 0.463 USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.141 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 154:sc= -0.119 (180deg=-0.931) USER MOD Single : A 15 GLN : amide:sc= -0.0647 X(o=-0.065,f=0.06) USER MOD Single : A 23 MET CE :methyl 163:sc= -0.0783 (180deg=-0.53) USER MOD Single : A 25 MET CE :methyl -170:sc= -0.126 (180deg=-0.445) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0293) USER MOD Single : A 33 CYS SG : rot 130:sc= -1.62 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0295 K(o=-0.029,f=-1.8!) USER MOD Single : A 58 GLN : amide:sc= -2.33! K(o=-2.3!,f=-1.7) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc=-5.45e-05 USER MOD Single : A 71 GLN : amide:sc= -14.4! C(o=-14!,f=-8.3!) USER MOD Single : A 76 THR OG1 : rot -160:sc= -1.58 USER MOD Single : A 83 SER OG : rot 150:sc= -0.475 USER MOD Single : A 84 ASN : amide:sc= -4.99! K(o=-5!,f=-2.5) USER MOD Single : A 85 SER OG : rot -64:sc= 0.858 USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= -0.018 (180deg=-0.315) USER MOD Single : A 92 GLN : amide:sc= -0.0317 K(o=-0.032,f=-1.7!) USER MOD Single : A 108 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-0.17) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 71:sc= 1.25 USER MOD Single : A 120 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.42) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.2!) USER MOD Single : A 124 SER OG : rot 78:sc= 0.33 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.240 -9.394 19.524 1.00 1.00 N ATOM 2 CA GLY A 1 -3.467 -8.966 18.114 1.00 1.00 C ATOM 3 C GLY A 1 -3.287 -7.457 18.003 1.00 1.00 C ATOM 4 O GLY A 1 -3.198 -6.756 19.011 1.00 1.00 O ATOM 0 H1 GLY A 1 -2.305 -9.843 19.604 1.00 1.00 H new ATOM 0 H2 GLY A 1 -3.281 -8.564 20.150 1.00 1.00 H new ATOM 0 H3 GLY A 1 -3.976 -10.074 19.803 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -2.767 -9.476 17.451 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -4.471 -9.247 17.795 1.00 1.00 H new ATOM 10 N PRO A 2 -3.230 -6.949 16.799 1.00 1.00 N ATOM 11 CA PRO A 2 -3.054 -5.488 16.549 1.00 1.00 C ATOM 12 C PRO A 2 -4.275 -4.677 16.991 1.00 1.00 C ATOM 13 O PRO A 2 -4.190 -3.460 17.170 1.00 1.00 O ATOM 14 CB PRO A 2 -2.833 -5.400 15.026 1.00 1.00 C ATOM 15 CG PRO A 2 -3.466 -6.636 14.466 1.00 1.00 C ATOM 16 CD PRO A 2 -3.329 -7.714 15.545 1.00 1.00 C ATOM 0 HA PRO A 2 -2.226 -5.068 17.119 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -3.291 -4.501 14.613 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -1.771 -5.357 14.784 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -4.514 -6.460 14.222 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -2.972 -6.943 13.544 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -4.189 -8.384 15.552 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -2.446 -8.332 15.383 1.00 1.00 H new ATOM 24 N LEU A 3 -5.409 -5.353 17.165 1.00 1.00 N ATOM 25 CA LEU A 3 -6.641 -4.678 17.585 1.00 1.00 C ATOM 26 C LEU A 3 -6.835 -4.830 19.089 1.00 1.00 C ATOM 27 O LEU A 3 -6.928 -5.945 19.605 1.00 1.00 O ATOM 28 CB LEU A 3 -7.840 -5.288 16.848 1.00 1.00 C ATOM 29 CG LEU A 3 -9.070 -4.368 16.971 1.00 1.00 C ATOM 30 CD1 LEU A 3 -10.168 -4.859 16.014 1.00 1.00 C ATOM 31 CD2 LEU A 3 -9.605 -4.368 18.422 1.00 1.00 C ATOM 0 H LEU A 3 -5.503 -6.359 17.024 1.00 1.00 H new ATOM 0 HA LEU A 3 -6.565 -3.618 17.342 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -7.592 -5.436 15.797 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -8.069 -6.270 17.263 1.00 1.00 H new ATOM 0 HG LEU A 3 -8.779 -3.351 16.709 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -11.040 -4.211 16.098 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -9.795 -4.835 14.990 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -10.448 -5.880 16.275 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -10.473 -3.713 18.490 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -9.892 -5.381 18.704 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -8.827 -4.010 19.097 1.00 1.00 H new ATOM 43 N GLY A 4 -6.893 -3.702 19.788 1.00 1.00 N ATOM 44 CA GLY A 4 -7.077 -3.718 21.233 1.00 1.00 C ATOM 45 C GLY A 4 -6.722 -2.367 21.844 1.00 1.00 C ATOM 46 O GLY A 4 -7.434 -1.864 22.714 1.00 1.00 O ATOM 0 H GLY A 4 -6.816 -2.770 19.380 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -8.112 -3.967 21.469 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -6.453 -4.496 21.674 1.00 1.00 H new ATOM 50 N SER A 5 -5.619 -1.785 21.385 1.00 1.00 N ATOM 51 CA SER A 5 -5.184 -0.492 21.900 1.00 1.00 C ATOM 52 C SER A 5 -6.118 0.618 21.425 1.00 1.00 C ATOM 53 O SER A 5 -6.556 0.624 20.274 1.00 1.00 O ATOM 54 CB SER A 5 -3.759 -0.197 21.431 1.00 1.00 C ATOM 55 OG SER A 5 -2.879 -1.178 21.965 1.00 1.00 O ATOM 0 H SER A 5 -5.016 -2.183 20.665 1.00 1.00 H new ATOM 0 HA SER A 5 -5.208 -0.529 22.989 1.00 1.00 H new ATOM 0 HB2 SER A 5 -3.713 -0.204 20.342 1.00 1.00 H new ATOM 0 HB3 SER A 5 -3.455 0.798 21.757 1.00 1.00 H new ATOM 0 HG SER A 5 -1.964 -0.994 21.666 1.00 1.00 H new ATOM 61 N MET A 6 -6.414 1.556 22.318 1.00 1.00 N ATOM 62 CA MET A 6 -7.294 2.668 21.975 1.00 1.00 C ATOM 63 C MET A 6 -6.655 3.537 20.899 1.00 1.00 C ATOM 64 O MET A 6 -7.327 3.999 19.978 1.00 1.00 O ATOM 65 CB MET A 6 -7.575 3.515 23.221 1.00 1.00 C ATOM 66 CG MET A 6 -8.556 2.777 24.135 1.00 1.00 C ATOM 67 SD MET A 6 -8.833 3.748 25.640 1.00 1.00 S ATOM 68 CE MET A 6 -9.751 5.114 24.883 1.00 1.00 C ATOM 0 H MET A 6 -6.062 1.570 23.275 1.00 1.00 H new ATOM 0 HA MET A 6 -8.232 2.265 21.593 1.00 1.00 H new ATOM 0 HB2 MET A 6 -6.646 3.714 23.754 1.00 1.00 H new ATOM 0 HB3 MET A 6 -7.989 4.480 22.931 1.00 1.00 H new ATOM 0 HG2 MET A 6 -9.501 2.615 23.616 1.00 1.00 H new ATOM 0 HG3 MET A 6 -8.160 1.794 24.392 1.00 1.00 H new ATOM 0 HE1 MET A 6 -10.401 5.573 25.628 1.00 1.00 H new ATOM 0 HE2 MET A 6 -9.050 5.858 24.505 1.00 1.00 H new ATOM 0 HE3 MET A 6 -10.355 4.734 24.059 1.00 1.00 H new ATOM 78 N GLU A 7 -5.349 3.754 21.028 1.00 1.00 N ATOM 79 CA GLU A 7 -4.602 4.571 20.072 1.00 1.00 C ATOM 80 C GLU A 7 -3.749 3.679 19.155 1.00 1.00 C ATOM 81 O GLU A 7 -2.709 3.175 19.582 1.00 1.00 O ATOM 82 CB GLU A 7 -3.686 5.528 20.840 1.00 1.00 C ATOM 83 CG GLU A 7 -4.527 6.633 21.484 1.00 1.00 C ATOM 84 CD GLU A 7 -5.416 6.046 22.574 1.00 1.00 C ATOM 85 OE1 GLU A 7 -4.910 5.273 23.372 1.00 1.00 O ATOM 86 OE2 GLU A 7 -6.589 6.378 22.597 1.00 1.00 O ATOM 0 H GLU A 7 -4.783 3.375 21.787 1.00 1.00 H new ATOM 0 HA GLU A 7 -5.306 5.134 19.459 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -3.134 4.984 21.606 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -2.949 5.964 20.165 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -3.875 7.397 21.908 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -5.141 7.122 20.727 1.00 1.00 H new ATOM 93 N PRO A 8 -4.154 3.462 17.919 1.00 1.00 N ATOM 94 CA PRO A 8 -3.388 2.601 16.972 1.00 1.00 C ATOM 95 C PRO A 8 -2.234 3.358 16.302 1.00 1.00 C ATOM 96 O PRO A 8 -2.229 4.589 16.263 1.00 1.00 O ATOM 97 CB PRO A 8 -4.451 2.183 15.950 1.00 1.00 C ATOM 98 CG PRO A 8 -5.410 3.337 15.899 1.00 1.00 C ATOM 99 CD PRO A 8 -5.375 4.003 17.285 1.00 1.00 C ATOM 0 HA PRO A 8 -2.907 1.758 17.467 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -4.007 1.994 14.973 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -4.953 1.265 16.255 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -5.122 4.045 15.122 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -6.416 2.993 15.660 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -5.333 5.089 17.204 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -6.265 3.761 17.865 1.00 1.00 H new ATOM 107 N PRO A 9 -1.263 2.647 15.776 1.00 1.00 N ATOM 108 CA PRO A 9 -0.083 3.269 15.095 1.00 1.00 C ATOM 109 C PRO A 9 -0.494 4.077 13.863 1.00 1.00 C ATOM 110 O PRO A 9 0.161 5.055 13.502 1.00 1.00 O ATOM 111 CB PRO A 9 0.793 2.061 14.704 1.00 1.00 C ATOM 112 CG PRO A 9 -0.137 0.891 14.694 1.00 1.00 C ATOM 113 CD PRO A 9 -1.180 1.177 15.770 1.00 1.00 C ATOM 0 HA PRO A 9 0.436 3.981 15.737 1.00 1.00 H new ATOM 0 HB2 PRO A 9 1.252 2.207 13.726 1.00 1.00 H new ATOM 0 HB3 PRO A 9 1.603 1.914 15.418 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.606 0.773 13.717 1.00 1.00 H new ATOM 0 HG3 PRO A 9 0.398 -0.035 14.905 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.141 0.720 15.531 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -0.874 0.787 16.741 1.00 1.00 H new ATOM 121 N LEU A 10 -1.576 3.653 13.224 1.00 1.00 N ATOM 122 CA LEU A 10 -2.065 4.331 12.028 1.00 1.00 C ATOM 123 C LEU A 10 -2.234 5.832 12.312 1.00 1.00 C ATOM 124 O LEU A 10 -2.301 6.228 13.475 1.00 1.00 O ATOM 125 CB LEU A 10 -3.416 3.718 11.617 1.00 1.00 C ATOM 126 CG LEU A 10 -3.192 2.428 10.799 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.405 1.503 10.941 1.00 1.00 C ATOM 128 CD2 LEU A 10 -3.004 2.774 9.314 1.00 1.00 C ATOM 0 H LEU A 10 -2.131 2.847 13.511 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.348 4.206 11.217 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.007 3.495 12.505 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.985 4.437 11.027 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.300 1.927 11.176 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -4.240 0.595 10.361 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.544 1.243 11.990 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -5.296 2.012 10.572 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -2.847 1.858 8.744 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -3.894 3.283 8.944 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -2.138 3.426 9.199 1.00 1.00 H new ATOM 140 N PRO A 11 -2.320 6.676 11.301 1.00 1.00 N ATOM 141 CA PRO A 11 -2.501 8.143 11.522 1.00 1.00 C ATOM 142 C PRO A 11 -3.786 8.437 12.291 1.00 1.00 C ATOM 143 O PRO A 11 -4.747 7.672 12.233 1.00 1.00 O ATOM 144 CB PRO A 11 -2.542 8.751 10.106 1.00 1.00 C ATOM 145 CG PRO A 11 -1.940 7.713 9.216 1.00 1.00 C ATOM 146 CD PRO A 11 -2.251 6.361 9.858 1.00 1.00 C ATOM 0 HA PRO A 11 -1.699 8.567 12.126 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.564 8.982 9.806 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -1.978 9.683 10.061 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.360 7.772 8.212 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.864 7.859 9.121 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.191 5.948 9.491 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.475 5.626 9.644 1.00 1.00 H new ATOM 154 N VAL A 12 -3.783 9.545 13.017 1.00 1.00 N ATOM 155 CA VAL A 12 -4.943 9.939 13.806 1.00 1.00 C ATOM 156 C VAL A 12 -5.927 10.731 12.957 1.00 1.00 C ATOM 157 O VAL A 12 -6.090 11.938 13.136 1.00 1.00 O ATOM 158 CB VAL A 12 -4.493 10.789 14.995 1.00 1.00 C ATOM 159 CG1 VAL A 12 -5.660 10.966 15.970 1.00 1.00 C ATOM 160 CG2 VAL A 12 -3.335 10.093 15.711 1.00 1.00 C ATOM 0 H VAL A 12 -2.992 10.187 13.077 1.00 1.00 H new ATOM 0 HA VAL A 12 -5.439 9.038 14.166 1.00 1.00 H new ATOM 0 HB VAL A 12 -4.167 11.766 14.638 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -5.338 11.572 16.817 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -6.487 11.463 15.462 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -5.988 9.989 16.326 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -3.014 10.699 16.558 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -3.662 9.116 16.067 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -2.502 9.967 15.019 1.00 1.00 H new ATOM 170 N GLY A 13 -6.582 10.041 12.032 1.00 1.00 N ATOM 171 CA GLY A 13 -7.551 10.688 11.156 1.00 1.00 C ATOM 172 C GLY A 13 -7.773 9.868 9.891 1.00 1.00 C ATOM 173 O GLY A 13 -8.836 9.936 9.273 1.00 1.00 O ATOM 0 H GLY A 13 -6.462 9.041 11.869 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.497 10.814 11.683 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.199 11.685 10.891 1.00 1.00 H new ATOM 177 N ALA A 14 -6.762 9.097 9.506 1.00 1.00 N ATOM 178 CA ALA A 14 -6.858 8.271 8.307 1.00 1.00 C ATOM 179 C ALA A 14 -8.030 7.294 8.406 1.00 1.00 C ATOM 180 O ALA A 14 -8.285 6.719 9.465 1.00 1.00 O ATOM 181 CB ALA A 14 -5.551 7.495 8.110 1.00 1.00 C ATOM 0 H ALA A 14 -5.873 9.026 10.002 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.030 8.925 7.452 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.625 6.879 7.214 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.724 8.197 8.000 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.373 6.857 8.975 1.00 1.00 H new ATOM 187 N GLN A 15 -8.728 7.102 7.284 1.00 1.00 N ATOM 188 CA GLN A 15 -9.865 6.178 7.225 1.00 1.00 C ATOM 189 C GLN A 15 -9.419 4.886 6.539 1.00 1.00 C ATOM 190 O GLN A 15 -9.645 4.722 5.342 1.00 1.00 O ATOM 191 CB GLN A 15 -11.008 6.794 6.408 1.00 1.00 C ATOM 192 CG GLN A 15 -11.363 8.180 6.962 1.00 1.00 C ATOM 193 CD GLN A 15 -12.199 8.042 8.230 1.00 1.00 C ATOM 194 OE1 GLN A 15 -11.800 8.519 9.292 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.342 7.413 8.184 1.00 1.00 N ATOM 0 H GLN A 15 -8.526 7.574 6.403 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.212 5.977 8.239 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.714 6.876 5.361 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.882 6.144 6.444 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.452 8.738 7.177 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.915 8.748 6.214 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.672 7.018 7.303 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -13.905 7.317 9.029 1.00 1.00 H new ATOM 204 N PRO A 16 -8.768 3.981 7.236 1.00 1.00 N ATOM 205 CA PRO A 16 -8.272 2.714 6.611 1.00 1.00 C ATOM 206 C PRO A 16 -9.403 1.895 5.995 1.00 1.00 C ATOM 207 O PRO A 16 -9.982 1.025 6.647 1.00 1.00 O ATOM 208 CB PRO A 16 -7.590 1.975 7.775 1.00 1.00 C ATOM 209 CG PRO A 16 -8.200 2.563 9.002 1.00 1.00 C ATOM 210 CD PRO A 16 -8.435 4.031 8.672 1.00 1.00 C ATOM 0 HA PRO A 16 -7.593 2.899 5.779 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -7.766 0.901 7.720 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.510 2.122 7.760 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.135 2.062 9.255 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -7.538 2.454 9.861 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -9.246 4.456 9.263 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.550 4.638 8.863 1.00 1.00 H new ATOM 218 N LEU A 17 -9.698 2.182 4.734 1.00 1.00 N ATOM 219 CA LEU A 17 -10.751 1.473 4.021 1.00 1.00 C ATOM 220 C LEU A 17 -10.388 0.007 3.900 1.00 1.00 C ATOM 221 O LEU A 17 -11.230 -0.876 4.064 1.00 1.00 O ATOM 222 CB LEU A 17 -10.904 2.042 2.612 1.00 1.00 C ATOM 223 CG LEU A 17 -11.338 3.507 2.677 1.00 1.00 C ATOM 224 CD1 LEU A 17 -11.346 4.083 1.258 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.744 3.626 3.297 1.00 1.00 C ATOM 0 H LEU A 17 -9.224 2.899 4.185 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.683 1.590 4.575 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.960 1.959 2.074 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.640 1.462 2.056 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.639 4.063 3.302 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -11.654 5.128 1.291 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -10.345 4.013 0.831 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -12.044 3.518 0.640 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -13.037 4.675 3.336 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.458 3.072 2.688 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.732 3.215 4.307 1.00 1.00 H new ATOM 237 N ALA A 18 -9.118 -0.236 3.599 1.00 1.00 N ATOM 238 CA ALA A 18 -8.618 -1.603 3.438 1.00 1.00 C ATOM 239 C ALA A 18 -7.261 -1.759 4.110 1.00 1.00 C ATOM 240 O ALA A 18 -6.401 -0.889 3.997 1.00 1.00 O ATOM 241 CB ALA A 18 -8.486 -1.934 1.948 1.00 1.00 C ATOM 0 H ALA A 18 -8.415 0.490 3.461 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.326 -2.287 3.907 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.114 -2.952 1.833 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.461 -1.848 1.468 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.789 -1.238 1.481 1.00 1.00 H new ATOM 247 N THR A 19 -7.073 -2.879 4.807 1.00 1.00 N ATOM 248 CA THR A 19 -5.809 -3.150 5.495 1.00 1.00 C ATOM 249 C THR A 19 -5.367 -4.586 5.252 1.00 1.00 C ATOM 250 O THR A 19 -6.124 -5.529 5.486 1.00 1.00 O ATOM 251 CB THR A 19 -5.970 -2.891 6.996 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.891 -3.492 7.698 1.00 1.00 O ATOM 253 CG2 THR A 19 -7.295 -3.480 7.483 1.00 1.00 C ATOM 0 H THR A 19 -7.776 -3.611 4.911 1.00 1.00 H new ATOM 0 HA THR A 19 -5.043 -2.484 5.099 1.00 1.00 H new ATOM 0 HB THR A 19 -5.968 -1.817 7.180 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.992 -3.325 8.658 1.00 1.00 H new ATOM 0 HG21 THR A 19 -7.405 -3.293 8.551 1.00 1.00 H new ATOM 0 HG22 THR A 19 -8.120 -3.013 6.946 1.00 1.00 H new ATOM 0 HG23 THR A 19 -7.305 -4.554 7.299 1.00 1.00 H new ATOM 261 N VAL A 20 -4.137 -4.747 4.762 1.00 1.00 N ATOM 262 CA VAL A 20 -3.598 -6.076 4.471 1.00 1.00 C ATOM 263 C VAL A 20 -2.163 -6.198 4.969 1.00 1.00 C ATOM 264 O VAL A 20 -1.458 -5.203 5.119 1.00 1.00 O ATOM 265 CB VAL A 20 -3.632 -6.317 2.954 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.832 -7.583 2.601 1.00 1.00 C ATOM 267 CG2 VAL A 20 -5.087 -6.469 2.486 1.00 1.00 C ATOM 0 H VAL A 20 -3.498 -3.978 4.559 1.00 1.00 H new ATOM 0 HA VAL A 20 -4.209 -6.820 4.983 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.180 -5.464 2.448 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.863 -7.744 1.523 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.797 -7.460 2.920 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -3.269 -8.443 3.109 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -5.107 -6.640 1.410 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -5.547 -7.315 2.996 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -5.641 -5.560 2.719 1.00 1.00 H new ATOM 277 N GLU A 21 -1.734 -7.438 5.199 1.00 1.00 N ATOM 278 CA GLU A 21 -0.372 -7.708 5.653 1.00 1.00 C ATOM 279 C GLU A 21 0.435 -8.283 4.497 1.00 1.00 C ATOM 280 O GLU A 21 0.063 -9.300 3.914 1.00 1.00 O ATOM 281 CB GLU A 21 -0.392 -8.711 6.810 1.00 1.00 C ATOM 282 CG GLU A 21 1.014 -8.840 7.406 1.00 1.00 C ATOM 283 CD GLU A 21 1.378 -7.561 8.152 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.507 -6.720 8.308 1.00 1.00 O ATOM 285 OE2 GLU A 21 2.523 -7.443 8.558 1.00 1.00 O ATOM 0 H GLU A 21 -2.310 -8.271 5.078 1.00 1.00 H new ATOM 0 HA GLU A 21 0.083 -6.779 5.997 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -1.094 -8.383 7.577 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.738 -9.682 6.456 1.00 1.00 H new ATOM 0 HG2 GLU A 21 1.054 -9.692 8.085 1.00 1.00 H new ATOM 0 HG3 GLU A 21 1.739 -9.029 6.614 1.00 1.00 H new ATOM 292 N GLY A 22 1.540 -7.623 4.166 1.00 1.00 N ATOM 293 CA GLY A 22 2.401 -8.069 3.070 1.00 1.00 C ATOM 294 C GLY A 22 3.858 -8.090 3.508 1.00 1.00 C ATOM 295 O GLY A 22 4.158 -8.170 4.698 1.00 1.00 O ATOM 0 H GLY A 22 1.862 -6.778 4.639 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.099 -9.065 2.745 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.283 -7.405 2.214 1.00 1.00 H new ATOM 299 N MET A 23 4.762 -8.024 2.534 1.00 1.00 N ATOM 300 CA MET A 23 6.194 -8.038 2.820 1.00 1.00 C ATOM 301 C MET A 23 6.927 -7.066 1.904 1.00 1.00 C ATOM 302 O MET A 23 6.834 -7.159 0.679 1.00 1.00 O ATOM 303 CB MET A 23 6.741 -9.454 2.621 1.00 1.00 C ATOM 304 CG MET A 23 6.029 -10.423 3.575 1.00 1.00 C ATOM 305 SD MET A 23 4.466 -10.956 2.837 1.00 1.00 S ATOM 306 CE MET A 23 3.866 -11.932 4.237 1.00 1.00 C ATOM 0 H MET A 23 4.530 -7.960 1.543 1.00 1.00 H new ATOM 0 HA MET A 23 6.352 -7.729 3.853 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.592 -9.770 1.588 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.815 -9.469 2.807 1.00 1.00 H new ATOM 0 HG2 MET A 23 6.663 -11.287 3.773 1.00 1.00 H new ATOM 0 HG3 MET A 23 5.844 -9.937 4.533 1.00 1.00 H new ATOM 0 HE1 MET A 23 2.796 -12.107 4.126 1.00 1.00 H new ATOM 0 HE2 MET A 23 4.389 -12.888 4.265 1.00 1.00 H new ATOM 0 HE3 MET A 23 4.051 -11.390 5.164 1.00 1.00 H new ATOM 316 N GLU A 24 7.654 -6.132 2.510 1.00 1.00 N ATOM 317 CA GLU A 24 8.407 -5.134 1.753 1.00 1.00 C ATOM 318 C GLU A 24 9.804 -5.650 1.436 1.00 1.00 C ATOM 319 O GLU A 24 10.586 -5.946 2.339 1.00 1.00 O ATOM 320 CB GLU A 24 8.499 -3.839 2.567 1.00 1.00 C ATOM 321 CG GLU A 24 9.292 -2.787 1.792 1.00 1.00 C ATOM 322 CD GLU A 24 9.257 -1.460 2.544 1.00 1.00 C ATOM 323 OE1 GLU A 24 8.848 -1.465 3.693 1.00 1.00 O ATOM 324 OE2 GLU A 24 9.636 -0.461 1.958 1.00 1.00 O ATOM 0 H GLU A 24 7.738 -6.044 3.523 1.00 1.00 H new ATOM 0 HA GLU A 24 7.891 -4.937 0.814 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.499 -3.465 2.784 1.00 1.00 H new ATOM 0 HB3 GLU A 24 8.980 -4.036 3.525 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.323 -3.116 1.664 1.00 1.00 H new ATOM 0 HG3 GLU A 24 8.871 -2.662 0.794 1.00 1.00 H new ATOM 331 N MET A 25 10.112 -5.758 0.142 1.00 1.00 N ATOM 332 CA MET A 25 11.423 -6.241 -0.293 1.00 1.00 C ATOM 333 C MET A 25 12.256 -5.092 -0.859 1.00 1.00 C ATOM 334 O MET A 25 11.760 -4.279 -1.636 1.00 1.00 O ATOM 335 CB MET A 25 11.256 -7.322 -1.373 1.00 1.00 C ATOM 336 CG MET A 25 10.042 -8.201 -1.053 1.00 1.00 C ATOM 337 SD MET A 25 8.526 -7.353 -1.566 1.00 1.00 S ATOM 338 CE MET A 25 8.512 -7.926 -3.283 1.00 1.00 C ATOM 0 H MET A 25 9.476 -5.519 -0.618 1.00 1.00 H new ATOM 0 HA MET A 25 11.935 -6.663 0.572 1.00 1.00 H new ATOM 0 HB2 MET A 25 11.130 -6.855 -2.350 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.155 -7.936 -1.427 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.127 -9.158 -1.568 1.00 1.00 H new ATOM 0 HG3 MET A 25 10.007 -8.416 0.015 1.00 1.00 H new ATOM 0 HE1 MET A 25 7.752 -7.380 -3.843 1.00 1.00 H new ATOM 0 HE2 MET A 25 9.489 -7.752 -3.733 1.00 1.00 H new ATOM 0 HE3 MET A 25 8.286 -8.992 -3.309 1.00 1.00 H new ATOM 348 N LYS A 26 13.531 -5.041 -0.477 1.00 1.00 N ATOM 349 CA LYS A 26 14.437 -3.998 -0.968 1.00 1.00 C ATOM 350 C LYS A 26 15.734 -4.632 -1.448 1.00 1.00 C ATOM 351 O LYS A 26 16.160 -5.666 -0.936 1.00 1.00 O ATOM 352 CB LYS A 26 14.748 -2.972 0.128 1.00 1.00 C ATOM 353 CG LYS A 26 13.470 -2.236 0.523 1.00 1.00 C ATOM 354 CD LYS A 26 13.801 -1.180 1.577 1.00 1.00 C ATOM 355 CE LYS A 26 12.521 -0.461 1.999 1.00 1.00 C ATOM 356 NZ LYS A 26 12.847 0.576 3.017 1.00 1.00 N ATOM 0 H LYS A 26 13.961 -5.705 0.167 1.00 1.00 H new ATOM 0 HA LYS A 26 13.945 -3.482 -1.793 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.174 -3.473 0.997 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.493 -2.261 -0.228 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.022 -1.765 -0.352 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.737 -2.941 0.915 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.269 -1.649 2.442 1.00 1.00 H new ATOM 0 HD3 LYS A 26 14.518 -0.463 1.176 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.048 0.001 1.132 1.00 1.00 H new ATOM 0 HE3 LYS A 26 11.807 -1.176 2.408 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 11.995 0.801 3.569 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.587 0.217 3.654 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 13.188 1.435 2.540 1.00 1.00 H new ATOM 370 N GLY A 27 16.348 -4.005 -2.441 1.00 1.00 N ATOM 371 CA GLY A 27 17.596 -4.504 -3.008 1.00 1.00 C ATOM 372 C GLY A 27 18.506 -5.148 -1.956 1.00 1.00 C ATOM 373 O GLY A 27 18.779 -6.347 -2.016 1.00 1.00 O ATOM 0 H GLY A 27 16.003 -3.148 -2.873 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.371 -5.235 -3.785 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.127 -3.682 -3.488 1.00 1.00 H new ATOM 377 N PRO A 28 19.002 -4.375 -1.022 1.00 1.00 N ATOM 378 CA PRO A 28 19.932 -4.879 0.041 1.00 1.00 C ATOM 379 C PRO A 28 19.309 -5.956 0.949 1.00 1.00 C ATOM 380 O PRO A 28 20.010 -6.856 1.409 1.00 1.00 O ATOM 381 CB PRO A 28 20.307 -3.606 0.830 1.00 1.00 C ATOM 382 CG PRO A 28 19.208 -2.630 0.548 1.00 1.00 C ATOM 383 CD PRO A 28 18.729 -2.935 -0.869 1.00 1.00 C ATOM 0 HA PRO A 28 20.794 -5.388 -0.391 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.385 -3.813 1.897 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.273 -3.215 0.510 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.396 -2.739 1.267 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.568 -1.604 0.626 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.669 -2.712 -0.991 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.266 -2.344 -1.610 1.00 1.00 H new ATOM 391 N LEU A 29 18.001 -5.872 1.195 1.00 1.00 N ATOM 392 CA LEU A 29 17.328 -6.867 2.042 1.00 1.00 C ATOM 393 C LEU A 29 15.818 -6.625 2.053 1.00 1.00 C ATOM 394 O LEU A 29 15.325 -5.736 1.365 1.00 1.00 O ATOM 395 CB LEU A 29 17.871 -6.822 3.486 1.00 1.00 C ATOM 396 CG LEU A 29 18.129 -5.376 3.933 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.831 -4.564 3.871 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.651 -5.384 5.374 1.00 1.00 C ATOM 0 H LEU A 29 17.392 -5.140 0.829 1.00 1.00 H new ATOM 0 HA LEU A 29 17.531 -7.853 1.624 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.157 -7.293 4.161 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.795 -7.396 3.549 1.00 1.00 H new ATOM 0 HG LEU A 29 18.864 -4.921 3.269 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.027 -3.540 4.190 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.453 -4.559 2.849 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.089 -5.014 4.530 1.00 1.00 H new ATOM 0 HD21 LEU A 29 18.837 -4.360 5.699 1.00 1.00 H new ATOM 0 HD22 LEU A 29 17.909 -5.843 6.027 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.579 -5.954 5.422 1.00 1.00 H new ATOM 410 N ARG A 30 15.084 -7.418 2.840 1.00 1.00 N ATOM 411 CA ARG A 30 13.630 -7.267 2.933 1.00 1.00 C ATOM 412 C ARG A 30 13.196 -7.122 4.386 1.00 1.00 C ATOM 413 O ARG A 30 13.986 -7.325 5.308 1.00 1.00 O ATOM 414 CB ARG A 30 12.930 -8.471 2.302 1.00 1.00 C ATOM 415 CG ARG A 30 13.374 -9.759 2.990 1.00 1.00 C ATOM 416 CD ARG A 30 12.540 -10.915 2.454 1.00 1.00 C ATOM 417 NE ARG A 30 12.765 -11.084 1.021 1.00 1.00 N ATOM 418 CZ ARG A 30 12.071 -11.969 0.308 1.00 1.00 C ATOM 419 NH1 ARG A 30 11.227 -12.774 0.899 1.00 1.00 N ATOM 420 NH2 ARG A 30 12.244 -12.047 -0.984 1.00 1.00 N ATOM 0 H ARG A 30 15.470 -8.165 3.417 1.00 1.00 H new ATOM 0 HA ARG A 30 13.346 -6.365 2.391 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.849 -8.358 2.387 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.162 -8.520 1.238 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.433 -9.940 2.805 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.249 -9.673 4.069 1.00 1.00 H new ATOM 0 HD2 ARG A 30 12.800 -11.834 2.980 1.00 1.00 H new ATOM 0 HD3 ARG A 30 11.483 -10.727 2.643 1.00 1.00 H new ATOM 0 HE ARG A 30 13.469 -10.511 0.556 1.00 1.00 H new ATOM 0 HH11 ARG A 30 11.098 -12.725 1.910 1.00 1.00 H new ATOM 0 HH12 ARG A 30 10.697 -13.451 0.349 1.00 1.00 H new ATOM 0 HH21 ARG A 30 12.911 -11.430 -1.447 1.00 1.00 H new ATOM 0 HH22 ARG A 30 11.712 -12.725 -1.530 1.00 1.00 H new ATOM 434 N GLU A 31 11.933 -6.755 4.580 1.00 1.00 N ATOM 435 CA GLU A 31 11.391 -6.572 5.921 1.00 1.00 C ATOM 436 C GLU A 31 9.866 -6.693 5.878 1.00 1.00 C ATOM 437 O GLU A 31 9.244 -6.226 4.924 1.00 1.00 O ATOM 438 CB GLU A 31 11.779 -5.184 6.441 1.00 1.00 C ATOM 439 CG GLU A 31 11.234 -4.119 5.484 1.00 1.00 C ATOM 440 CD GLU A 31 11.836 -2.756 5.810 1.00 1.00 C ATOM 441 OE1 GLU A 31 13.040 -2.688 5.994 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.083 -1.796 5.867 1.00 1.00 O ATOM 0 H GLU A 31 11.268 -6.579 3.827 1.00 1.00 H new ATOM 0 HA GLU A 31 11.796 -7.336 6.584 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.376 -5.031 7.442 1.00 1.00 H new ATOM 0 HB3 GLU A 31 12.863 -5.101 6.518 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.469 -4.391 4.455 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.148 -4.072 5.562 1.00 1.00 H new ATOM 449 N PRO A 32 9.236 -7.292 6.864 1.00 1.00 N ATOM 450 CA PRO A 32 7.753 -7.432 6.863 1.00 1.00 C ATOM 451 C PRO A 32 7.075 -6.065 6.883 1.00 1.00 C ATOM 452 O PRO A 32 7.576 -5.121 7.498 1.00 1.00 O ATOM 453 CB PRO A 32 7.445 -8.250 8.130 1.00 1.00 C ATOM 454 CG PRO A 32 8.643 -8.077 9.010 1.00 1.00 C ATOM 455 CD PRO A 32 9.837 -7.889 8.072 1.00 1.00 C ATOM 0 HA PRO A 32 7.377 -7.923 5.966 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.541 -7.890 8.621 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.281 -9.301 7.890 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.523 -7.214 9.666 1.00 1.00 H new ATOM 0 HG3 PRO A 32 8.784 -8.947 9.651 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.592 -7.236 8.509 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.326 -8.837 7.850 1.00 1.00 H new ATOM 463 N CYS A 33 5.948 -5.961 6.191 1.00 1.00 N ATOM 464 CA CYS A 33 5.217 -4.701 6.117 1.00 1.00 C ATOM 465 C CYS A 33 3.731 -4.963 5.904 1.00 1.00 C ATOM 466 O CYS A 33 3.317 -6.102 5.702 1.00 1.00 O ATOM 467 CB CYS A 33 5.767 -3.862 4.957 1.00 1.00 C ATOM 468 SG CYS A 33 5.123 -4.488 3.382 1.00 1.00 S ATOM 0 H CYS A 33 5.521 -6.730 5.675 1.00 1.00 H new ATOM 0 HA CYS A 33 5.345 -4.159 7.054 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.484 -2.817 5.086 1.00 1.00 H new ATOM 0 HB3 CYS A 33 6.856 -3.899 4.955 1.00 1.00 H new ATOM 0 HG CYS A 33 4.633 -3.502 2.691 1.00 1.00 H new ATOM 474 N ALA A 34 2.934 -3.898 5.938 1.00 1.00 N ATOM 475 CA ALA A 34 1.492 -4.020 5.730 1.00 1.00 C ATOM 476 C ALA A 34 0.989 -2.859 4.881 1.00 1.00 C ATOM 477 O ALA A 34 1.307 -1.699 5.146 1.00 1.00 O ATOM 478 CB ALA A 34 0.766 -4.039 7.080 1.00 1.00 C ATOM 0 H ALA A 34 3.259 -2.946 6.106 1.00 1.00 H new ATOM 0 HA ALA A 34 1.287 -4.954 5.208 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.308 -4.130 6.915 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.116 -4.887 7.669 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.973 -3.114 7.617 1.00 1.00 H new ATOM 484 N LEU A 35 0.202 -3.180 3.856 1.00 1.00 N ATOM 485 CA LEU A 35 -0.341 -2.162 2.962 1.00 1.00 C ATOM 486 C LEU A 35 -1.750 -1.791 3.392 1.00 1.00 C ATOM 487 O LEU A 35 -2.631 -2.648 3.466 1.00 1.00 O ATOM 488 CB LEU A 35 -0.369 -2.696 1.527 1.00 1.00 C ATOM 489 CG LEU A 35 1.007 -3.265 1.149 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.005 -3.657 -0.332 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.097 -2.213 1.401 1.00 1.00 C ATOM 0 H LEU A 35 -0.073 -4.135 3.625 1.00 1.00 H new ATOM 0 HA LEU A 35 0.293 -1.276 3.008 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -1.130 -3.471 1.434 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.642 -1.897 0.838 1.00 1.00 H new ATOM 0 HG LEU A 35 1.213 -4.144 1.761 1.00 1.00 H new ATOM 0 HD11 LEU A 35 1.980 -4.061 -0.603 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.238 -4.412 -0.508 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.795 -2.778 -0.941 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.069 -2.625 1.130 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.896 -1.329 0.796 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.100 -1.938 2.456 1.00 1.00 H new ATOM 503 N THR A 36 -1.958 -0.507 3.689 1.00 1.00 N ATOM 504 CA THR A 36 -3.271 -0.029 4.125 1.00 1.00 C ATOM 505 C THR A 36 -3.723 1.182 3.320 1.00 1.00 C ATOM 506 O THR A 36 -3.037 2.204 3.265 1.00 1.00 O ATOM 507 CB THR A 36 -3.213 0.333 5.615 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.827 -0.811 6.362 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.587 0.811 6.090 1.00 1.00 C ATOM 0 H THR A 36 -1.240 0.216 3.636 1.00 1.00 H new ATOM 0 HA THR A 36 -3.994 -0.828 3.961 1.00 1.00 H new ATOM 0 HB THR A 36 -2.486 1.132 5.762 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.787 -0.582 7.314 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.538 1.066 7.149 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.884 1.690 5.518 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.320 0.018 5.942 1.00 1.00 H new ATOM 517 N LEU A 37 -4.907 1.063 2.725 1.00 1.00 N ATOM 518 CA LEU A 37 -5.492 2.147 1.947 1.00 1.00 C ATOM 519 C LEU A 37 -6.339 3.010 2.867 1.00 1.00 C ATOM 520 O LEU A 37 -7.212 2.505 3.571 1.00 1.00 O ATOM 521 CB LEU A 37 -6.353 1.571 0.818 1.00 1.00 C ATOM 522 CG LEU A 37 -7.090 2.695 0.072 1.00 1.00 C ATOM 523 CD1 LEU A 37 -6.086 3.744 -0.438 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.861 2.091 -1.113 1.00 1.00 C ATOM 0 H LEU A 37 -5.481 0.221 2.768 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.702 2.754 1.504 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.725 1.016 0.121 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -7.075 0.865 1.228 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.786 3.184 0.753 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.621 4.534 -0.964 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.546 4.172 0.407 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.378 3.270 -1.118 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.386 2.883 -1.647 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -7.162 1.599 -1.789 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.582 1.362 -0.744 1.00 1.00 H new ATOM 536 N ALA A 38 -6.061 4.312 2.876 1.00 1.00 N ATOM 537 CA ALA A 38 -6.791 5.242 3.738 1.00 1.00 C ATOM 538 C ALA A 38 -7.359 6.407 2.931 1.00 1.00 C ATOM 539 O ALA A 38 -6.848 6.752 1.865 1.00 1.00 O ATOM 540 CB ALA A 38 -5.844 5.776 4.822 1.00 1.00 C ATOM 0 H ALA A 38 -5.340 4.746 2.300 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.623 4.710 4.199 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.384 6.470 5.467 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.467 4.945 5.418 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.008 6.293 4.352 1.00 1.00 H new ATOM 546 N GLN A 39 -8.419 7.010 3.461 1.00 1.00 N ATOM 547 CA GLN A 39 -9.074 8.145 2.810 1.00 1.00 C ATOM 548 C GLN A 39 -9.346 9.245 3.836 1.00 1.00 C ATOM 549 O GLN A 39 -10.116 9.046 4.771 1.00 1.00 O ATOM 550 CB GLN A 39 -10.401 7.680 2.201 1.00 1.00 C ATOM 551 CG GLN A 39 -11.056 8.820 1.414 1.00 1.00 C ATOM 552 CD GLN A 39 -12.457 8.406 0.984 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.657 7.960 -0.146 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.441 8.510 1.833 1.00 1.00 N ATOM 0 H GLN A 39 -8.846 6.731 4.344 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.424 8.537 2.027 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.228 6.828 1.543 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.072 7.342 2.991 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -11.104 9.719 2.029 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.454 9.064 0.539 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.271 8.880 2.768 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.381 8.221 1.562 1.00 1.00 H new ATOM 563 N ARG A 40 -8.724 10.413 3.660 1.00 1.00 N ATOM 564 CA ARG A 40 -8.937 11.530 4.594 1.00 1.00 C ATOM 565 C ARG A 40 -9.097 12.852 3.848 1.00 1.00 C ATOM 566 O ARG A 40 -8.469 13.082 2.818 1.00 1.00 O ATOM 567 CB ARG A 40 -7.776 11.624 5.591 1.00 1.00 C ATOM 568 CG ARG A 40 -6.456 11.808 4.841 1.00 1.00 C ATOM 569 CD ARG A 40 -5.301 11.880 5.847 1.00 1.00 C ATOM 570 NE ARG A 40 -4.032 12.053 5.140 1.00 1.00 N ATOM 571 CZ ARG A 40 -2.865 11.842 5.744 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.827 11.441 6.985 1.00 1.00 N ATOM 573 NH2 ARG A 40 -1.752 12.031 5.087 1.00 1.00 N ATOM 0 H ARG A 40 -8.079 10.612 2.895 1.00 1.00 H new ATOM 0 HA ARG A 40 -9.859 11.335 5.141 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -7.937 12.460 6.271 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -7.735 10.721 6.200 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.299 10.979 4.150 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -6.489 12.719 4.243 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.459 12.710 6.536 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.272 10.970 6.446 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.042 12.342 4.162 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.695 11.287 7.498 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.929 11.281 7.442 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -1.780 12.339 4.115 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -0.855 11.871 5.546 1.00 1.00 H new ATOM 587 N ASN A 41 -9.963 13.707 4.385 1.00 1.00 N ATOM 588 CA ASN A 41 -10.236 15.009 3.785 1.00 1.00 C ATOM 589 C ASN A 41 -10.763 14.858 2.359 1.00 1.00 C ATOM 590 O ASN A 41 -10.586 15.748 1.528 1.00 1.00 O ATOM 591 CB ASN A 41 -8.968 15.862 3.773 1.00 1.00 C ATOM 592 CG ASN A 41 -8.372 15.930 5.175 1.00 1.00 C ATOM 593 OD1 ASN A 41 -9.060 16.300 6.126 1.00 1.00 O ATOM 594 ND2 ASN A 41 -7.125 15.593 5.360 1.00 1.00 N ATOM 0 H ASN A 41 -10.490 13.520 5.238 1.00 1.00 H new ATOM 0 HA ASN A 41 -11.000 15.501 4.388 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -8.241 15.438 3.080 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -9.199 16.866 3.418 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -6.718 15.636 6.294 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -6.557 15.287 4.570 1.00 1.00 H new ATOM 601 N GLY A 42 -11.421 13.735 2.085 1.00 1.00 N ATOM 602 CA GLY A 42 -11.976 13.502 0.753 1.00 1.00 C ATOM 603 C GLY A 42 -10.868 13.191 -0.246 1.00 1.00 C ATOM 604 O GLY A 42 -11.028 13.381 -1.452 1.00 1.00 O ATOM 0 H GLY A 42 -11.582 12.983 2.755 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.683 12.674 0.788 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.531 14.381 0.426 1.00 1.00 H new ATOM 608 N GLN A 43 -9.738 12.719 0.272 1.00 1.00 N ATOM 609 CA GLN A 43 -8.582 12.384 -0.554 1.00 1.00 C ATOM 610 C GLN A 43 -8.114 10.961 -0.261 1.00 1.00 C ATOM 611 O GLN A 43 -8.051 10.550 0.897 1.00 1.00 O ATOM 612 CB GLN A 43 -7.456 13.384 -0.258 1.00 1.00 C ATOM 613 CG GLN A 43 -6.146 12.920 -0.893 1.00 1.00 C ATOM 614 CD GLN A 43 -5.101 14.025 -0.784 1.00 1.00 C ATOM 615 OE1 GLN A 43 -4.908 14.595 0.289 1.00 1.00 O ATOM 616 NE2 GLN A 43 -4.415 14.367 -1.840 1.00 1.00 N ATOM 0 H GLN A 43 -9.598 12.559 1.270 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.857 12.441 -1.607 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.725 14.368 -0.643 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.328 13.488 0.819 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.789 12.018 -0.395 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.309 12.663 -1.940 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -4.577 13.893 -2.729 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -3.717 15.108 -1.777 1.00 1.00 H new ATOM 625 N TYR A 44 -7.774 10.222 -1.314 1.00 1.00 N ATOM 626 CA TYR A 44 -7.297 8.851 -1.158 1.00 1.00 C ATOM 627 C TYR A 44 -5.787 8.848 -0.953 1.00 1.00 C ATOM 628 O TYR A 44 -5.059 9.554 -1.652 1.00 1.00 O ATOM 629 CB TYR A 44 -7.642 8.025 -2.400 1.00 1.00 C ATOM 630 CG TYR A 44 -9.130 7.783 -2.459 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.694 6.721 -1.739 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.946 8.614 -3.233 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.074 6.492 -1.796 1.00 1.00 C ATOM 634 CE2 TYR A 44 -11.327 8.385 -3.290 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.889 7.324 -2.571 1.00 1.00 C ATOM 636 OH TYR A 44 -13.251 7.098 -2.626 1.00 1.00 O ATOM 0 H TYR A 44 -7.820 10.547 -2.280 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.784 8.410 -0.288 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.314 8.548 -3.298 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -7.111 7.074 -2.374 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.064 6.080 -1.140 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -9.511 9.433 -3.787 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.509 5.673 -1.242 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.957 9.027 -3.888 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.652 7.306 -1.756 1.00 1.00 H new ATOM 646 N GLU A 45 -5.320 8.051 0.004 1.00 1.00 N ATOM 647 CA GLU A 45 -3.888 7.961 0.286 1.00 1.00 C ATOM 648 C GLU A 45 -3.513 6.542 0.692 1.00 1.00 C ATOM 649 O GLU A 45 -4.285 5.848 1.353 1.00 1.00 O ATOM 650 CB GLU A 45 -3.507 8.955 1.392 1.00 1.00 C ATOM 651 CG GLU A 45 -4.132 8.541 2.726 1.00 1.00 C ATOM 652 CD GLU A 45 -3.805 9.583 3.789 1.00 1.00 C ATOM 653 OE1 GLU A 45 -3.010 10.465 3.502 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.353 9.487 4.873 1.00 1.00 O ATOM 0 H GLU A 45 -5.907 7.461 0.594 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.336 8.215 -0.619 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.422 9.000 1.491 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.844 9.956 1.121 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.212 8.443 2.618 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.752 7.565 3.030 1.00 1.00 H new ATOM 661 N LEU A 46 -2.318 6.114 0.288 1.00 1.00 N ATOM 662 CA LEU A 46 -1.832 4.770 0.604 1.00 1.00 C ATOM 663 C LEU A 46 -0.799 4.831 1.723 1.00 1.00 C ATOM 664 O LEU A 46 0.232 5.491 1.592 1.00 1.00 O ATOM 665 CB LEU A 46 -1.199 4.155 -0.655 1.00 1.00 C ATOM 666 CG LEU A 46 -0.628 2.758 -0.358 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.729 1.835 0.186 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.059 2.169 -1.653 1.00 1.00 C ATOM 0 H LEU A 46 -1.668 6.678 -0.259 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.668 4.154 0.936 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.946 4.086 -1.446 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.405 4.806 -1.022 1.00 1.00 H new ATOM 0 HG LEU A 46 0.158 2.842 0.392 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.310 0.850 0.391 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -2.135 2.256 1.106 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.525 1.743 -0.553 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.349 1.178 -1.454 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -0.852 2.092 -2.397 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.732 2.817 -2.031 1.00 1.00 H new ATOM 680 N ILE A 47 -1.079 4.134 2.824 1.00 1.00 N ATOM 681 CA ILE A 47 -0.163 4.109 3.965 1.00 1.00 C ATOM 682 C ILE A 47 0.562 2.776 4.018 1.00 1.00 C ATOM 683 O ILE A 47 -0.068 1.719 4.062 1.00 1.00 O ATOM 684 CB ILE A 47 -0.937 4.294 5.274 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.712 5.611 5.236 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.049 4.324 6.446 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.676 5.664 6.425 1.00 1.00 C ATOM 0 H ILE A 47 -1.927 3.582 2.950 1.00 1.00 H new ATOM 0 HA ILE A 47 0.554 4.921 3.845 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.636 3.467 5.398 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -1.022 6.454 5.274 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.265 5.694 4.300 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.499 4.456 7.379 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.603 3.386 6.480 1.00 1.00 H new ATOM 0 HG23 ILE A 47 0.746 5.152 6.314 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -3.231 6.602 6.402 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.373 4.828 6.366 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -2.111 5.600 7.355 1.00 1.00 H new ATOM 699 N ILE A 48 1.893 2.823 4.030 1.00 1.00 N ATOM 700 CA ILE A 48 2.694 1.602 4.096 1.00 1.00 C ATOM 701 C ILE A 48 3.314 1.480 5.481 1.00 1.00 C ATOM 702 O ILE A 48 4.123 2.315 5.886 1.00 1.00 O ATOM 703 CB ILE A 48 3.797 1.644 3.039 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.170 1.800 1.651 1.00 1.00 C ATOM 705 CG2 ILE A 48 4.597 0.343 3.089 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.262 2.127 0.629 1.00 1.00 C ATOM 0 H ILE A 48 2.436 3.686 3.995 1.00 1.00 H new ATOM 0 HA ILE A 48 2.054 0.740 3.906 1.00 1.00 H new ATOM 0 HB ILE A 48 4.457 2.488 3.237 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.656 0.882 1.368 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.422 2.593 1.666 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.384 0.371 2.336 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.044 0.228 4.077 1.00 1.00 H new ATOM 0 HG23 ILE A 48 3.934 -0.499 2.890 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.815 2.238 -0.359 1.00 1.00 H new ATOM 0 HD12 ILE A 48 4.756 3.057 0.910 1.00 1.00 H new ATOM 0 HD13 ILE A 48 4.994 1.319 0.607 1.00 1.00 H new ATOM 718 N GLN A 49 2.921 0.439 6.213 1.00 1.00 N ATOM 719 CA GLN A 49 3.436 0.223 7.565 1.00 1.00 C ATOM 720 C GLN A 49 4.592 -0.765 7.556 1.00 1.00 C ATOM 721 O GLN A 49 4.502 -1.839 6.965 1.00 1.00 O ATOM 722 CB GLN A 49 2.333 -0.318 8.468 1.00 1.00 C ATOM 723 CG GLN A 49 1.288 0.767 8.703 1.00 1.00 C ATOM 724 CD GLN A 49 0.240 0.267 9.686 1.00 1.00 C ATOM 725 OE1 GLN A 49 -0.531 -0.641 9.373 1.00 1.00 O ATOM 726 NE2 GLN A 49 0.183 0.799 10.874 1.00 1.00 N ATOM 0 H GLN A 49 2.253 -0.264 5.896 1.00 1.00 H new ATOM 0 HA GLN A 49 3.789 1.182 7.943 1.00 1.00 H new ATOM 0 HB2 GLN A 49 1.869 -1.191 8.009 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.754 -0.644 9.419 1.00 1.00 H new ATOM 0 HG2 GLN A 49 1.765 1.667 9.092 1.00 1.00 H new ATOM 0 HG3 GLN A 49 0.815 1.040 7.760 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.824 1.551 11.127 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.503 0.464 11.551 1.00 1.00 H new ATOM 735 N LEU A 50 5.674 -0.394 8.233 1.00 1.00 N ATOM 736 CA LEU A 50 6.859 -1.249 8.327 1.00 1.00 C ATOM 737 C LEU A 50 6.956 -1.846 9.728 1.00 1.00 C ATOM 738 O LEU A 50 6.859 -1.130 10.724 1.00 1.00 O ATOM 739 CB LEU A 50 8.124 -0.426 8.017 1.00 1.00 C ATOM 740 CG LEU A 50 8.385 -0.393 6.506 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.131 0.088 5.771 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.547 0.561 6.219 1.00 1.00 C ATOM 0 H LEU A 50 5.758 0.495 8.727 1.00 1.00 H new ATOM 0 HA LEU A 50 6.775 -2.058 7.601 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.006 0.590 8.394 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.982 -0.859 8.531 1.00 1.00 H new ATOM 0 HG LEU A 50 8.637 -1.395 6.159 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.324 0.109 4.698 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.305 -0.592 5.978 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.871 1.090 6.113 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.738 0.589 5.146 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.291 1.561 6.569 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.440 0.213 6.738 1.00 1.00 H new ATOM 754 N HIS A 51 7.148 -3.161 9.795 1.00 1.00 N ATOM 755 CA HIS A 51 7.258 -3.854 11.081 1.00 1.00 C ATOM 756 C HIS A 51 8.713 -4.204 11.365 1.00 1.00 C ATOM 757 O HIS A 51 9.004 -5.188 12.048 1.00 1.00 O ATOM 758 CB HIS A 51 6.419 -5.131 11.059 1.00 1.00 C ATOM 759 CG HIS A 51 4.983 -4.780 10.797 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.235 -4.006 11.671 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.140 -5.094 9.760 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.002 -3.879 11.148 1.00 1.00 C ATOM 763 NE2 HIS A 51 2.889 -4.525 9.985 1.00 1.00 N ATOM 0 H HIS A 51 7.231 -3.768 8.979 1.00 1.00 H new ATOM 0 HA HIS A 51 6.889 -3.195 11.867 1.00 1.00 H new ATOM 0 HB2 HIS A 51 6.786 -5.807 10.287 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.509 -5.655 12.011 1.00 1.00 H new ATOM 0 HD2 HIS A 51 4.406 -5.691 8.901 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.201 -3.322 11.612 1.00 1.00 H new ATOM 0 HE2 HIS A 51 2.064 -4.588 9.389 1.00 1.00 H new ATOM 771 N GLU A 52 9.625 -3.390 10.840 1.00 1.00 N ATOM 772 CA GLU A 52 11.054 -3.617 11.047 1.00 1.00 C ATOM 773 C GLU A 52 11.335 -3.980 12.503 1.00 1.00 C ATOM 774 O GLU A 52 10.667 -3.490 13.411 1.00 1.00 O ATOM 775 CB GLU A 52 11.837 -2.357 10.671 1.00 1.00 C ATOM 776 CG GLU A 52 11.840 -2.182 9.150 1.00 1.00 C ATOM 777 CD GLU A 52 12.453 -0.835 8.783 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.788 -0.092 9.691 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.580 -0.565 7.600 1.00 1.00 O ATOM 0 H GLU A 52 9.403 -2.572 10.272 1.00 1.00 H new ATOM 0 HA GLU A 52 11.369 -4.446 10.413 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.389 -1.484 11.146 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.860 -2.430 11.040 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.406 -2.988 8.684 1.00 1.00 H new ATOM 0 HG3 GLU A 52 10.822 -2.245 8.766 1.00 1.00 H new ATOM 786 N LYS A 53 12.321 -4.848 12.715 1.00 1.00 N ATOM 787 CA LYS A 53 12.669 -5.275 14.065 1.00 1.00 C ATOM 788 C LYS A 53 13.185 -4.101 14.892 1.00 1.00 C ATOM 789 O LYS A 53 12.926 -4.018 16.092 1.00 1.00 O ATOM 790 CB LYS A 53 13.728 -6.384 14.020 1.00 1.00 C ATOM 791 CG LYS A 53 14.979 -5.886 13.291 1.00 1.00 C ATOM 792 CD LYS A 53 16.018 -7.009 13.237 1.00 1.00 C ATOM 793 CE LYS A 53 17.260 -6.519 12.490 1.00 1.00 C ATOM 794 NZ LYS A 53 18.278 -7.608 12.443 1.00 1.00 N ATOM 0 H LYS A 53 12.887 -5.265 11.977 1.00 1.00 H new ATOM 0 HA LYS A 53 11.766 -5.663 14.537 1.00 1.00 H new ATOM 0 HB2 LYS A 53 13.986 -6.693 15.033 1.00 1.00 H new ATOM 0 HB3 LYS A 53 13.326 -7.261 13.512 1.00 1.00 H new ATOM 0 HG2 LYS A 53 14.721 -5.565 12.282 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.392 -5.018 13.806 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.287 -7.319 14.247 1.00 1.00 H new ATOM 0 HD3 LYS A 53 15.600 -7.882 12.736 1.00 1.00 H new ATOM 0 HE2 LYS A 53 16.992 -6.214 11.478 1.00 1.00 H new ATOM 0 HE3 LYS A 53 17.674 -5.642 12.988 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 19.121 -7.273 11.935 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.542 -7.878 13.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.881 -8.433 11.949 1.00 1.00 H new ATOM 808 N GLU A 54 13.918 -3.197 14.248 1.00 1.00 N ATOM 809 CA GLU A 54 14.463 -2.040 14.949 1.00 1.00 C ATOM 810 C GLU A 54 13.341 -1.167 15.511 1.00 1.00 C ATOM 811 O GLU A 54 13.391 -0.760 16.671 1.00 1.00 O ATOM 812 CB GLU A 54 15.345 -1.214 13.996 1.00 1.00 C ATOM 813 CG GLU A 54 14.733 -1.213 12.591 1.00 1.00 C ATOM 814 CD GLU A 54 15.418 -0.169 11.718 1.00 1.00 C ATOM 815 OE1 GLU A 54 16.625 -0.029 11.829 1.00 1.00 O ATOM 816 OE2 GLU A 54 14.724 0.477 10.947 1.00 1.00 O ATOM 0 H GLU A 54 14.146 -3.242 13.255 1.00 1.00 H new ATOM 0 HA GLU A 54 15.070 -2.397 15.781 1.00 1.00 H new ATOM 0 HB2 GLU A 54 15.435 -0.192 14.364 1.00 1.00 H new ATOM 0 HB3 GLU A 54 16.351 -1.631 13.964 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.838 -2.200 12.140 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.665 -1.002 12.652 1.00 1.00 H new ATOM 823 N GLN A 55 12.336 -0.890 14.684 1.00 1.00 N ATOM 824 CA GLN A 55 11.207 -0.067 15.108 1.00 1.00 C ATOM 825 C GLN A 55 10.171 0.037 13.993 1.00 1.00 C ATOM 826 O GLN A 55 10.499 -0.095 12.814 1.00 1.00 O ATOM 827 CB GLN A 55 11.695 1.339 15.477 1.00 1.00 C ATOM 828 CG GLN A 55 10.504 2.226 15.848 1.00 1.00 C ATOM 829 CD GLN A 55 11.002 3.549 16.418 1.00 1.00 C ATOM 830 OE1 GLN A 55 12.152 3.647 16.849 1.00 1.00 O ATOM 831 NE2 GLN A 55 10.203 4.580 16.440 1.00 1.00 N ATOM 0 H GLN A 55 12.280 -1.222 13.721 1.00 1.00 H new ATOM 0 HA GLN A 55 10.747 -0.537 15.978 1.00 1.00 H new ATOM 0 HB2 GLN A 55 12.392 1.283 16.313 1.00 1.00 H new ATOM 0 HB3 GLN A 55 12.237 1.776 14.639 1.00 1.00 H new ATOM 0 HG2 GLN A 55 9.887 2.408 14.968 1.00 1.00 H new ATOM 0 HG3 GLN A 55 9.875 1.718 16.579 1.00 1.00 H new ATOM 0 HE21 GLN A 55 9.251 4.496 16.082 1.00 1.00 H new ATOM 0 HE22 GLN A 55 10.530 5.471 16.815 1.00 1.00 H new ATOM 840 N HIS A 56 8.922 0.289 14.374 1.00 1.00 N ATOM 841 CA HIS A 56 7.851 0.423 13.396 1.00 1.00 C ATOM 842 C HIS A 56 7.916 1.799 12.741 1.00 1.00 C ATOM 843 O HIS A 56 7.963 2.819 13.430 1.00 1.00 O ATOM 844 CB HIS A 56 6.493 0.244 14.081 1.00 1.00 C ATOM 845 CG HIS A 56 5.420 0.069 13.040 1.00 1.00 C ATOM 846 ND1 HIS A 56 4.900 1.137 12.327 1.00 1.00 N ATOM 847 CD2 HIS A 56 4.755 -1.044 12.587 1.00 1.00 C ATOM 848 CE1 HIS A 56 3.963 0.650 11.492 1.00 1.00 C ATOM 849 NE2 HIS A 56 3.835 -0.673 11.610 1.00 1.00 N ATOM 0 H HIS A 56 8.630 0.403 15.345 1.00 1.00 H new ATOM 0 HA HIS A 56 7.972 -0.345 12.632 1.00 1.00 H new ATOM 0 HB2 HIS A 56 6.519 -0.624 14.740 1.00 1.00 H new ATOM 0 HB3 HIS A 56 6.272 1.111 14.704 1.00 1.00 H new ATOM 0 HD1 HIS A 56 5.177 2.114 12.418 1.00 1.00 H new ATOM 0 HD2 HIS A 56 4.920 -2.053 12.935 1.00 1.00 H new ATOM 0 HE1 HIS A 56 3.385 1.256 10.810 1.00 1.00 H new ATOM 857 N VAL A 57 7.925 1.823 11.409 1.00 1.00 N ATOM 858 CA VAL A 57 7.995 3.086 10.663 1.00 1.00 C ATOM 859 C VAL A 57 6.815 3.207 9.709 1.00 1.00 C ATOM 860 O VAL A 57 6.452 2.251 9.024 1.00 1.00 O ATOM 861 CB VAL A 57 9.292 3.157 9.863 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.391 4.518 9.171 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.485 2.964 10.801 1.00 1.00 C ATOM 0 H VAL A 57 7.885 0.989 10.824 1.00 1.00 H new ATOM 0 HA VAL A 57 7.964 3.906 11.381 1.00 1.00 H new ATOM 0 HB VAL A 57 9.298 2.369 9.110 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.318 4.569 8.599 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.543 4.647 8.499 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.383 5.309 9.921 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.411 3.015 10.228 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.483 3.748 11.558 1.00 1.00 H new ATOM 0 HG23 VAL A 57 10.412 1.991 11.287 1.00 1.00 H new ATOM 873 N GLN A 58 6.218 4.392 9.678 1.00 1.00 N ATOM 874 CA GLN A 58 5.067 4.661 8.812 1.00 1.00 C ATOM 875 C GLN A 58 5.449 5.580 7.660 1.00 1.00 C ATOM 876 O GLN A 58 5.978 6.671 7.865 1.00 1.00 O ATOM 877 CB GLN A 58 3.949 5.319 9.621 1.00 1.00 C ATOM 878 CG GLN A 58 3.328 4.290 10.559 1.00 1.00 C ATOM 879 CD GLN A 58 2.255 4.953 11.414 1.00 1.00 C ATOM 880 OE1 GLN A 58 2.558 5.835 12.220 1.00 1.00 O ATOM 881 NE2 GLN A 58 1.013 4.581 11.287 1.00 1.00 N ATOM 0 H GLN A 58 6.511 5.188 10.244 1.00 1.00 H new ATOM 0 HA GLN A 58 4.725 3.709 8.405 1.00 1.00 H new ATOM 0 HB2 GLN A 58 4.345 6.157 10.194 1.00 1.00 H new ATOM 0 HB3 GLN A 58 3.189 5.722 8.951 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.893 3.474 9.982 1.00 1.00 H new ATOM 0 HG3 GLN A 58 4.097 3.855 11.197 1.00 1.00 H new ATOM 0 HE21 GLN A 58 0.765 3.851 10.619 1.00 1.00 H new ATOM 0 HE22 GLN A 58 0.289 5.020 11.855 1.00 1.00 H new ATOM 890 N ASP A 59 5.150 5.130 6.445 1.00 1.00 N ATOM 891 CA ASP A 59 5.433 5.911 5.239 1.00 1.00 C ATOM 892 C ASP A 59 4.125 6.342 4.587 1.00 1.00 C ATOM 893 O ASP A 59 3.314 5.503 4.195 1.00 1.00 O ATOM 894 CB ASP A 59 6.255 5.079 4.251 1.00 1.00 C ATOM 895 CG ASP A 59 7.688 4.930 4.753 1.00 1.00 C ATOM 896 OD1 ASP A 59 8.064 5.675 5.642 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.388 4.072 4.239 1.00 1.00 O ATOM 0 H ASP A 59 4.711 4.227 6.266 1.00 1.00 H new ATOM 0 HA ASP A 59 6.006 6.795 5.517 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.801 4.096 4.127 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.253 5.557 3.272 1.00 1.00 H new ATOM 902 N ILE A 60 3.917 7.654 4.483 1.00 1.00 N ATOM 903 CA ILE A 60 2.691 8.180 3.885 1.00 1.00 C ATOM 904 C ILE A 60 2.893 8.432 2.396 1.00 1.00 C ATOM 905 O ILE A 60 3.657 9.314 2.001 1.00 1.00 O ATOM 906 CB ILE A 60 2.306 9.492 4.577 1.00 1.00 C ATOM 907 CG1 ILE A 60 2.295 9.293 6.100 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.921 9.938 4.103 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.394 8.111 6.485 1.00 1.00 C ATOM 0 H ILE A 60 4.574 8.366 4.802 1.00 1.00 H new ATOM 0 HA ILE A 60 1.894 7.448 4.014 1.00 1.00 H new ATOM 0 HB ILE A 60 3.037 10.260 4.322 1.00 1.00 H new ATOM 0 HG12 ILE A 60 3.310 9.115 6.456 1.00 1.00 H new ATOM 0 HG13 ILE A 60 1.941 10.201 6.588 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.650 10.871 4.597 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.937 10.090 3.024 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.187 9.171 4.350 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.400 7.987 7.568 1.00 1.00 H new ATOM 0 HD12 ILE A 60 0.376 8.305 6.147 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.766 7.201 6.013 1.00 1.00 H new ATOM 921 N ILE A 61 2.199 7.645 1.576 1.00 1.00 N ATOM 922 CA ILE A 61 2.294 7.758 0.118 1.00 1.00 C ATOM 923 C ILE A 61 0.934 8.141 -0.473 1.00 1.00 C ATOM 924 O ILE A 61 0.141 7.265 -0.816 1.00 1.00 O ATOM 925 CB ILE A 61 2.724 6.413 -0.468 1.00 1.00 C ATOM 926 CG1 ILE A 61 3.973 5.895 0.263 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.026 6.573 -1.961 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.098 6.940 0.224 1.00 1.00 C ATOM 0 H ILE A 61 1.560 6.917 1.897 1.00 1.00 H new ATOM 0 HA ILE A 61 3.025 8.528 -0.128 1.00 1.00 H new ATOM 0 HB ILE A 61 1.915 5.694 -0.339 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.724 5.660 1.298 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.314 4.969 -0.200 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.332 5.612 -2.375 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.132 6.923 -2.478 1.00 1.00 H new ATOM 0 HG23 ILE A 61 3.829 7.298 -2.094 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.972 6.553 0.747 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.360 7.154 -0.812 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.761 7.856 0.709 1.00 1.00 H new ATOM 940 N PRO A 62 0.641 9.413 -0.601 1.00 1.00 N ATOM 941 CA PRO A 62 -0.663 9.878 -1.166 1.00 1.00 C ATOM 942 C PRO A 62 -0.914 9.340 -2.576 1.00 1.00 C ATOM 943 O PRO A 62 0.003 9.246 -3.392 1.00 1.00 O ATOM 944 CB PRO A 62 -0.538 11.412 -1.158 1.00 1.00 C ATOM 945 CG PRO A 62 0.519 11.708 -0.144 1.00 1.00 C ATOM 946 CD PRO A 62 1.500 10.544 -0.223 1.00 1.00 C ATOM 0 HA PRO A 62 -1.513 9.518 -0.586 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.259 11.790 -2.141 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -1.484 11.884 -0.892 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.015 12.654 -0.360 1.00 1.00 H new ATOM 0 HG3 PRO A 62 0.091 11.793 0.855 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.280 10.723 -0.963 1.00 1.00 H new ATOM 0 HD3 PRO A 62 1.999 10.371 0.731 1.00 1.00 H new ATOM 954 N ILE A 63 -2.169 8.989 -2.845 1.00 1.00 N ATOM 955 CA ILE A 63 -2.557 8.460 -4.148 1.00 1.00 C ATOM 956 C ILE A 63 -2.818 9.595 -5.130 1.00 1.00 C ATOM 957 O ILE A 63 -3.621 10.486 -4.862 1.00 1.00 O ATOM 958 CB ILE A 63 -3.812 7.597 -3.992 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.463 6.349 -3.170 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.334 7.178 -5.370 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.742 5.632 -2.727 1.00 1.00 C ATOM 0 H ILE A 63 -2.935 9.062 -2.176 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.744 7.850 -4.541 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.586 8.170 -3.482 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.846 5.674 -3.764 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.875 6.632 -2.297 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -5.227 6.564 -5.250 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.580 8.067 -5.951 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.567 6.605 -5.891 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.481 4.748 -2.145 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.343 6.305 -2.115 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -5.314 5.332 -3.605 1.00 1.00 H new ATOM 973 N ASN A 64 -2.124 9.553 -6.264 1.00 1.00 N ATOM 974 CA ASN A 64 -2.261 10.576 -7.293 1.00 1.00 C ATOM 975 C ASN A 64 -1.269 10.311 -8.429 1.00 1.00 C ATOM 976 O ASN A 64 -0.713 9.218 -8.534 1.00 1.00 O ATOM 977 CB ASN A 64 -2.018 11.963 -6.687 1.00 1.00 C ATOM 978 CG ASN A 64 -0.843 11.906 -5.720 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.013 11.029 -5.833 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.754 12.793 -4.766 1.00 1.00 N ATOM 0 H ASN A 64 -1.457 8.816 -6.493 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.273 10.543 -7.697 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.815 12.685 -7.478 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.913 12.304 -6.166 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.027 12.761 -4.111 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -1.466 13.518 -4.676 1.00 1.00 H new ATOM 987 N SER A 65 -1.062 11.309 -9.280 1.00 1.00 N ATOM 988 CA SER A 65 -0.147 11.172 -10.408 1.00 1.00 C ATOM 989 C SER A 65 1.274 10.838 -9.947 1.00 1.00 C ATOM 990 O SER A 65 1.980 10.069 -10.602 1.00 1.00 O ATOM 991 CB SER A 65 -0.127 12.473 -11.208 1.00 1.00 C ATOM 992 OG SER A 65 -1.445 12.781 -11.638 1.00 1.00 O ATOM 0 H SER A 65 -1.514 12.221 -9.211 1.00 1.00 H new ATOM 0 HA SER A 65 -0.502 10.350 -11.030 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.267 13.284 -10.595 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.535 12.374 -12.069 1.00 1.00 H new ATOM 0 HG SER A 65 -1.435 13.616 -12.150 1.00 1.00 H new ATOM 998 N HIS A 66 1.699 11.435 -8.837 1.00 1.00 N ATOM 999 CA HIS A 66 3.050 11.203 -8.327 1.00 1.00 C ATOM 1000 C HIS A 66 3.172 9.825 -7.678 1.00 1.00 C ATOM 1001 O HIS A 66 4.250 9.432 -7.234 1.00 1.00 O ATOM 1002 CB HIS A 66 3.429 12.301 -7.319 1.00 1.00 C ATOM 1003 CG HIS A 66 2.760 12.050 -5.992 1.00 1.00 C ATOM 1004 ND1 HIS A 66 2.994 10.900 -5.251 1.00 1.00 N ATOM 1005 CD2 HIS A 66 1.866 12.791 -5.259 1.00 1.00 C ATOM 1006 CE1 HIS A 66 2.256 10.981 -4.130 1.00 1.00 C ATOM 1007 NE2 HIS A 66 1.548 12.113 -4.084 1.00 1.00 N ATOM 0 H HIS A 66 1.136 12.076 -8.278 1.00 1.00 H new ATOM 0 HA HIS A 66 3.739 11.237 -9.171 1.00 1.00 H new ATOM 0 HB2 HIS A 66 4.511 12.326 -7.189 1.00 1.00 H new ATOM 0 HB3 HIS A 66 3.131 13.276 -7.705 1.00 1.00 H new ATOM 0 HD1 HIS A 66 3.614 10.132 -5.510 1.00 1.00 H new ATOM 0 HD2 HIS A 66 1.470 13.753 -5.549 1.00 1.00 H new ATOM 0 HE1 HIS A 66 2.238 10.223 -3.361 1.00 1.00 H new ATOM 1015 N PHE A 67 2.058 9.099 -7.626 1.00 1.00 N ATOM 1016 CA PHE A 67 2.029 7.763 -7.030 1.00 1.00 C ATOM 1017 C PHE A 67 1.684 6.723 -8.089 1.00 1.00 C ATOM 1018 O PHE A 67 0.735 6.890 -8.854 1.00 1.00 O ATOM 1019 CB PHE A 67 0.989 7.731 -5.903 1.00 1.00 C ATOM 1020 CG PHE A 67 0.686 6.301 -5.502 1.00 1.00 C ATOM 1021 CD1 PHE A 67 1.641 5.549 -4.811 1.00 1.00 C ATOM 1022 CD2 PHE A 67 -0.551 5.730 -5.829 1.00 1.00 C ATOM 1023 CE1 PHE A 67 1.359 4.226 -4.446 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -0.832 4.408 -5.465 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.123 3.656 -4.774 1.00 1.00 C ATOM 0 H PHE A 67 1.159 9.414 -7.991 1.00 1.00 H new ATOM 0 HA PHE A 67 3.012 7.530 -6.621 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.360 8.286 -5.041 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.074 8.225 -6.230 1.00 1.00 H new ATOM 0 HD1 PHE A 67 2.595 5.988 -4.559 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -1.289 6.311 -6.363 1.00 1.00 H new ATOM 0 HE1 PHE A 67 2.096 3.645 -3.911 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -1.786 3.969 -5.718 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.093 2.636 -4.493 1.00 1.00 H new ATOM 1035 N ARG A 68 2.463 5.646 -8.122 1.00 1.00 N ATOM 1036 CA ARG A 68 2.239 4.567 -9.083 1.00 1.00 C ATOM 1037 C ARG A 68 2.231 3.213 -8.386 1.00 1.00 C ATOM 1038 O ARG A 68 2.922 3.006 -7.389 1.00 1.00 O ATOM 1039 CB ARG A 68 3.331 4.582 -10.154 1.00 1.00 C ATOM 1040 CG ARG A 68 3.134 5.789 -11.070 1.00 1.00 C ATOM 1041 CD ARG A 68 4.219 5.790 -12.145 1.00 1.00 C ATOM 1042 NE ARG A 68 5.517 6.098 -11.555 1.00 1.00 N ATOM 1043 CZ ARG A 68 6.630 6.076 -12.282 1.00 1.00 C ATOM 1044 NH1 ARG A 68 6.587 5.703 -13.534 1.00 1.00 N ATOM 1045 NH2 ARG A 68 7.769 6.411 -11.742 1.00 1.00 N ATOM 0 H ARG A 68 3.254 5.496 -7.496 1.00 1.00 H new ATOM 0 HA ARG A 68 1.267 4.726 -9.551 1.00 1.00 H new ATOM 0 HB2 ARG A 68 4.314 4.625 -9.685 1.00 1.00 H new ATOM 0 HB3 ARG A 68 3.296 3.661 -10.736 1.00 1.00 H new ATOM 0 HG2 ARG A 68 2.148 5.752 -11.533 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.179 6.711 -10.490 1.00 1.00 H new ATOM 0 HD2 ARG A 68 4.256 4.817 -12.634 1.00 1.00 H new ATOM 0 HD3 ARG A 68 3.978 6.524 -12.914 1.00 1.00 H new ATOM 0 HE ARG A 68 5.572 6.335 -10.564 1.00 1.00 H new ATOM 0 HH11 ARG A 68 5.699 5.428 -13.954 1.00 1.00 H new ATOM 0 HH12 ARG A 68 7.441 5.686 -14.091 1.00 1.00 H new ATOM 0 HH21 ARG A 68 7.806 6.690 -10.762 1.00 1.00 H new ATOM 0 HH22 ARG A 68 8.623 6.394 -12.300 1.00 1.00 H new ATOM 1059 N CYS A 69 1.441 2.296 -8.931 1.00 1.00 N ATOM 1060 CA CYS A 69 1.325 0.943 -8.388 1.00 1.00 C ATOM 1061 C CYS A 69 1.181 -0.044 -9.539 1.00 1.00 C ATOM 1062 O CYS A 69 0.117 -0.136 -10.152 1.00 1.00 O ATOM 1063 CB CYS A 69 0.100 0.856 -7.467 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.353 -0.878 -7.196 1.00 1.00 S ATOM 0 H CYS A 69 0.865 2.465 -9.756 1.00 1.00 H new ATOM 0 HA CYS A 69 2.217 0.701 -7.810 1.00 1.00 H new ATOM 0 HB2 CYS A 69 0.318 1.337 -6.513 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -0.738 1.394 -7.911 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.389 -0.939 -6.414 1.00 1.00 H new ATOM 1070 N VAL A 70 2.256 -0.774 -9.847 1.00 1.00 N ATOM 1071 CA VAL A 70 2.226 -1.743 -10.950 1.00 1.00 C ATOM 1072 C VAL A 70 2.379 -3.164 -10.428 1.00 1.00 C ATOM 1073 O VAL A 70 3.307 -3.465 -9.680 1.00 1.00 O ATOM 1074 CB VAL A 70 3.353 -1.434 -11.938 1.00 1.00 C ATOM 1075 CG1 VAL A 70 3.116 -0.058 -12.556 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.698 -1.431 -11.209 1.00 1.00 C ATOM 0 H VAL A 70 3.148 -0.716 -9.356 1.00 1.00 H new ATOM 0 HA VAL A 70 1.263 -1.662 -11.454 1.00 1.00 H new ATOM 0 HB VAL A 70 3.367 -2.196 -12.717 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.916 0.167 -13.261 1.00 1.00 H new ATOM 0 HG12 VAL A 70 2.160 -0.054 -13.079 1.00 1.00 H new ATOM 0 HG13 VAL A 70 3.102 0.697 -11.770 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.496 -1.210 -11.918 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.687 -0.671 -10.428 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.871 -2.409 -10.761 1.00 1.00 H new ATOM 1086 N GLN A 71 1.456 -4.031 -10.836 1.00 1.00 N ATOM 1087 CA GLN A 71 1.485 -5.426 -10.411 1.00 1.00 C ATOM 1088 C GLN A 71 2.518 -6.202 -11.223 1.00 1.00 C ATOM 1089 O GLN A 71 2.232 -6.656 -12.331 1.00 1.00 O ATOM 1090 CB GLN A 71 0.105 -6.056 -10.612 1.00 1.00 C ATOM 1091 CG GLN A 71 0.047 -7.408 -9.900 1.00 1.00 C ATOM 1092 CD GLN A 71 -0.078 -7.192 -8.397 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -0.904 -6.400 -7.954 1.00 1.00 O ATOM 1094 NE2 GLN A 71 0.695 -7.854 -7.583 1.00 1.00 N ATOM 0 H GLN A 71 0.683 -3.793 -11.457 1.00 1.00 H new ATOM 0 HA GLN A 71 1.755 -5.466 -9.356 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.668 -5.395 -10.221 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.095 -6.185 -11.676 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -0.801 -7.986 -10.266 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.945 -7.985 -10.121 1.00 1.00 H new ATOM 0 HE21 GLN A 71 1.381 -8.512 -7.953 1.00 1.00 H new ATOM 0 HE22 GLN A 71 0.614 -7.714 -6.576 1.00 1.00 H new ATOM 1103 N GLU A 72 3.719 -6.345 -10.665 1.00 1.00 N ATOM 1104 CA GLU A 72 4.802 -7.064 -11.338 1.00 1.00 C ATOM 1105 C GLU A 72 4.774 -6.803 -12.843 1.00 1.00 C ATOM 1106 O GLU A 72 4.661 -7.730 -13.644 1.00 1.00 O ATOM 1107 CB GLU A 72 4.673 -8.563 -11.082 1.00 1.00 C ATOM 1108 CG GLU A 72 5.975 -9.262 -11.482 1.00 1.00 C ATOM 1109 CD GLU A 72 7.050 -8.999 -10.436 1.00 1.00 C ATOM 1110 OE1 GLU A 72 6.729 -8.401 -9.422 1.00 1.00 O ATOM 1111 OE2 GLU A 72 8.180 -9.398 -10.663 1.00 1.00 O ATOM 0 H GLU A 72 3.968 -5.973 -9.748 1.00 1.00 H new ATOM 0 HA GLU A 72 5.749 -6.704 -10.936 1.00 1.00 H new ATOM 0 HB2 GLU A 72 4.458 -8.746 -10.029 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.839 -8.970 -11.653 1.00 1.00 H new ATOM 0 HG2 GLU A 72 5.806 -10.334 -11.580 1.00 1.00 H new ATOM 0 HG3 GLU A 72 6.307 -8.901 -12.455 1.00 1.00 H new ATOM 1118 N ALA A 73 4.860 -5.534 -13.213 1.00 1.00 N ATOM 1119 CA ALA A 73 4.829 -5.152 -14.622 1.00 1.00 C ATOM 1120 C ALA A 73 5.443 -3.772 -14.827 1.00 1.00 C ATOM 1121 O ALA A 73 5.632 -3.013 -13.876 1.00 1.00 O ATOM 1122 CB ALA A 73 3.388 -5.149 -15.134 1.00 1.00 C ATOM 0 H ALA A 73 4.951 -4.753 -12.563 1.00 1.00 H new ATOM 0 HA ALA A 73 5.414 -5.881 -15.182 1.00 1.00 H new ATOM 0 HB1 ALA A 73 3.376 -4.863 -16.186 1.00 1.00 H new ATOM 0 HB2 ALA A 73 2.961 -6.146 -15.024 1.00 1.00 H new ATOM 0 HB3 ALA A 73 2.798 -4.436 -14.557 1.00 1.00 H new ATOM 1128 N GLU A 74 5.750 -3.458 -16.081 1.00 1.00 N ATOM 1129 CA GLU A 74 6.342 -2.169 -16.424 1.00 1.00 C ATOM 1130 C GLU A 74 5.341 -1.042 -16.205 1.00 1.00 C ATOM 1131 O GLU A 74 5.705 0.046 -15.763 1.00 1.00 O ATOM 1132 CB GLU A 74 6.802 -2.182 -17.887 1.00 1.00 C ATOM 1133 CG GLU A 74 5.591 -2.353 -18.809 1.00 1.00 C ATOM 1134 CD GLU A 74 6.055 -2.518 -20.253 1.00 1.00 C ATOM 1135 OE1 GLU A 74 7.236 -2.338 -20.499 1.00 1.00 O ATOM 1136 OE2 GLU A 74 5.221 -2.819 -21.091 1.00 1.00 O ATOM 0 H GLU A 74 5.599 -4.078 -16.877 1.00 1.00 H new ATOM 0 HA GLU A 74 7.202 -1.998 -15.776 1.00 1.00 H new ATOM 0 HB2 GLU A 74 7.322 -1.254 -18.123 1.00 1.00 H new ATOM 0 HB3 GLU A 74 7.511 -2.994 -18.048 1.00 1.00 H new ATOM 0 HG2 GLU A 74 5.010 -3.223 -18.503 1.00 1.00 H new ATOM 0 HG3 GLU A 74 4.935 -1.487 -18.726 1.00 1.00 H new ATOM 1143 N GLU A 75 4.077 -1.311 -16.519 1.00 1.00 N ATOM 1144 CA GLU A 75 3.031 -0.307 -16.352 1.00 1.00 C ATOM 1145 C GLU A 75 1.652 -0.926 -16.561 1.00 1.00 C ATOM 1146 O GLU A 75 1.066 -0.810 -17.637 1.00 1.00 O ATOM 1147 CB GLU A 75 3.239 0.830 -17.357 1.00 1.00 C ATOM 1148 CG GLU A 75 2.204 1.932 -17.108 1.00 1.00 C ATOM 1149 CD GLU A 75 2.422 3.083 -18.083 1.00 1.00 C ATOM 1150 OE1 GLU A 75 3.195 2.909 -19.010 1.00 1.00 O ATOM 1151 OE2 GLU A 75 1.811 4.121 -17.888 1.00 1.00 O ATOM 0 H GLU A 75 3.754 -2.206 -16.887 1.00 1.00 H new ATOM 0 HA GLU A 75 3.088 0.086 -15.337 1.00 1.00 H new ATOM 0 HB2 GLU A 75 4.246 1.235 -17.260 1.00 1.00 H new ATOM 0 HB3 GLU A 75 3.144 0.451 -18.375 1.00 1.00 H new ATOM 0 HG2 GLU A 75 1.198 1.530 -17.226 1.00 1.00 H new ATOM 0 HG3 GLU A 75 2.285 2.293 -16.083 1.00 1.00 H new ATOM 1158 N THR A 76 1.136 -1.582 -15.520 1.00 1.00 N ATOM 1159 CA THR A 76 -0.185 -2.217 -15.586 1.00 1.00 C ATOM 1160 C THR A 76 -1.094 -1.678 -14.483 1.00 1.00 C ATOM 1161 O THR A 76 -1.773 -2.437 -13.792 1.00 1.00 O ATOM 1162 CB THR A 76 -0.041 -3.733 -15.436 1.00 1.00 C ATOM 1163 OG1 THR A 76 1.063 -4.179 -16.209 1.00 1.00 O ATOM 1164 CG2 THR A 76 -1.316 -4.422 -15.921 1.00 1.00 C ATOM 0 H THR A 76 1.610 -1.688 -14.623 1.00 1.00 H new ATOM 0 HA THR A 76 -0.632 -1.988 -16.553 1.00 1.00 H new ATOM 0 HB THR A 76 0.124 -3.980 -14.387 1.00 1.00 H new ATOM 0 HG1 THR A 76 0.977 -5.141 -16.378 1.00 1.00 H new ATOM 0 HG21 THR A 76 -1.210 -5.501 -15.813 1.00 1.00 H new ATOM 0 HG22 THR A 76 -2.163 -4.079 -15.327 1.00 1.00 H new ATOM 0 HG23 THR A 76 -1.485 -4.177 -16.970 1.00 1.00 H new ATOM 1172 N LEU A 77 -1.094 -0.364 -14.323 1.00 1.00 N ATOM 1173 CA LEU A 77 -1.909 0.280 -13.303 1.00 1.00 C ATOM 1174 C LEU A 77 -3.398 0.148 -13.613 1.00 1.00 C ATOM 1175 O LEU A 77 -4.219 0.017 -12.705 1.00 1.00 O ATOM 1176 CB LEU A 77 -1.542 1.765 -13.199 1.00 1.00 C ATOM 1177 CG LEU A 77 -0.070 1.924 -12.742 1.00 1.00 C ATOM 1178 CD1 LEU A 77 0.853 2.061 -13.960 1.00 1.00 C ATOM 1179 CD2 LEU A 77 0.075 3.178 -11.873 1.00 1.00 C ATOM 0 H LEU A 77 -0.538 0.279 -14.887 1.00 1.00 H new ATOM 0 HA LEU A 77 -1.709 -0.219 -12.355 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -1.685 2.250 -14.164 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -2.205 2.262 -12.491 1.00 1.00 H new ATOM 0 HG LEU A 77 0.209 1.040 -12.169 1.00 1.00 H new ATOM 0 HD11 LEU A 77 1.884 2.172 -13.624 1.00 1.00 H new ATOM 0 HD12 LEU A 77 0.768 1.171 -14.583 1.00 1.00 H new ATOM 0 HD13 LEU A 77 0.564 2.938 -14.539 1.00 1.00 H new ATOM 0 HD21 LEU A 77 1.113 3.283 -11.556 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -0.219 4.056 -12.449 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -0.565 3.089 -10.996 1.00 1.00 H new ATOM 1191 N LEU A 78 -3.749 0.215 -14.892 1.00 1.00 N ATOM 1192 CA LEU A 78 -5.147 0.131 -15.286 1.00 1.00 C ATOM 1193 C LEU A 78 -5.730 -1.214 -14.890 1.00 1.00 C ATOM 1194 O LEU A 78 -6.853 -1.285 -14.391 1.00 1.00 O ATOM 1195 CB LEU A 78 -5.291 0.344 -16.801 1.00 1.00 C ATOM 1196 CG LEU A 78 -6.768 0.229 -17.220 1.00 1.00 C ATOM 1197 CD1 LEU A 78 -7.630 1.227 -16.426 1.00 1.00 C ATOM 1198 CD2 LEU A 78 -6.890 0.531 -18.718 1.00 1.00 C ATOM 0 H LEU A 78 -3.092 0.326 -15.665 1.00 1.00 H new ATOM 0 HA LEU A 78 -5.698 0.917 -14.768 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.904 1.325 -17.075 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.695 -0.395 -17.337 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.119 -0.782 -17.012 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.671 1.133 -16.734 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -7.546 1.013 -15.360 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -7.284 2.242 -16.621 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.934 0.451 -19.021 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.531 1.541 -18.916 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -6.292 -0.184 -19.283 1.00 1.00 H new ATOM 1210 N ILE A 79 -4.968 -2.286 -15.115 1.00 1.00 N ATOM 1211 CA ILE A 79 -5.430 -3.632 -14.772 1.00 1.00 C ATOM 1212 C ILE A 79 -4.636 -4.204 -13.604 1.00 1.00 C ATOM 1213 O ILE A 79 -3.406 -4.199 -13.609 1.00 1.00 O ATOM 1214 CB ILE A 79 -5.298 -4.562 -15.978 1.00 1.00 C ATOM 1215 CG1 ILE A 79 -6.179 -4.048 -17.120 1.00 1.00 C ATOM 1216 CG2 ILE A 79 -5.746 -5.971 -15.586 1.00 1.00 C ATOM 1217 CD1 ILE A 79 -5.828 -4.794 -18.409 1.00 1.00 C ATOM 0 H ILE A 79 -4.037 -2.250 -15.529 1.00 1.00 H new ATOM 0 HA ILE A 79 -6.478 -3.559 -14.481 1.00 1.00 H new ATOM 0 HB ILE A 79 -4.258 -4.587 -16.304 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -7.231 -4.195 -16.877 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -6.030 -2.977 -17.255 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -5.652 -6.635 -16.445 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -5.120 -6.339 -14.773 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -6.786 -5.945 -15.260 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -6.455 -4.429 -19.223 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -4.780 -4.624 -18.654 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -5.999 -5.861 -18.270 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.360 -4.700 -12.603 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.740 -5.287 -11.412 1.00 1.00 C ATOM 1231 C ASP A 80 -5.539 -6.502 -10.943 1.00 1.00 C ATOM 1232 O ASP A 80 -4.984 -7.439 -10.370 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.683 -4.253 -10.284 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.611 -3.209 -10.579 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -2.795 -3.456 -11.450 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.622 -2.179 -9.925 1.00 1.00 O ATOM 0 H ASP A 80 -6.380 -4.708 -12.591 1.00 1.00 H new ATOM 0 HA ASP A 80 -3.728 -5.600 -11.669 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -5.653 -3.768 -10.176 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.467 -4.748 -9.337 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.842 -6.471 -11.193 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.722 -7.567 -10.798 1.00 1.00 C ATOM 1243 C ILE A 81 -7.348 -8.847 -11.541 1.00 1.00 C ATOM 1244 O ILE A 81 -7.328 -9.932 -10.961 1.00 1.00 O ATOM 1245 CB ILE A 81 -9.176 -7.195 -11.103 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.508 -5.833 -10.468 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -10.118 -8.268 -10.551 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -9.203 -5.845 -8.963 1.00 1.00 C ATOM 0 H ILE A 81 -7.314 -5.701 -11.667 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.608 -7.741 -9.728 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.307 -7.130 -12.183 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -8.929 -5.049 -10.955 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -10.560 -5.598 -10.629 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.150 -7.995 -10.772 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.889 -9.227 -11.015 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.987 -8.347 -9.472 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -9.445 -4.872 -8.535 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -9.802 -6.615 -8.477 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -8.145 -6.056 -8.808 1.00 1.00 H new ATOM 1260 N ALA A 82 -7.058 -8.709 -12.830 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.691 -9.857 -13.655 1.00 1.00 C ATOM 1262 C ALA A 82 -5.545 -10.641 -13.019 1.00 1.00 C ATOM 1263 O ALA A 82 -5.359 -11.824 -13.306 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.271 -9.382 -15.047 1.00 1.00 C ATOM 0 H ALA A 82 -7.069 -7.818 -13.326 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.559 -10.511 -13.735 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.998 -10.242 -15.658 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -7.100 -8.852 -15.516 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.415 -8.713 -14.960 1.00 1.00 H new ATOM 1270 N SER A 83 -4.776 -9.977 -12.154 1.00 1.00 N ATOM 1271 CA SER A 83 -3.646 -10.620 -11.474 1.00 1.00 C ATOM 1272 C SER A 83 -3.936 -10.769 -9.988 1.00 1.00 C ATOM 1273 O SER A 83 -4.213 -9.791 -9.294 1.00 1.00 O ATOM 1274 CB SER A 83 -2.382 -9.780 -11.665 1.00 1.00 C ATOM 1275 OG SER A 83 -1.393 -10.201 -10.735 1.00 1.00 O ATOM 0 H SER A 83 -4.913 -8.997 -11.907 1.00 1.00 H new ATOM 0 HA SER A 83 -3.496 -11.609 -11.906 1.00 1.00 H new ATOM 0 HB2 SER A 83 -2.010 -9.889 -12.684 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.608 -8.724 -11.520 1.00 1.00 H new ATOM 0 HG SER A 83 -0.502 -10.058 -11.118 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.877 -12.007 -9.511 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.140 -12.304 -8.105 1.00 1.00 C ATOM 1283 C ASN A 84 -3.314 -13.503 -7.661 1.00 1.00 C ATOM 1284 O ASN A 84 -2.387 -13.920 -8.354 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.628 -12.600 -7.911 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.448 -11.323 -8.076 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.567 -11.368 -8.586 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.961 -10.182 -7.669 1.00 1.00 N ATOM 0 H ASN A 84 -3.649 -12.824 -10.077 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.862 -11.440 -7.501 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.955 -13.346 -8.635 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.796 -13.022 -6.920 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.508 -9.328 -7.774 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -5.033 -10.145 -7.246 1.00 1.00 H new ATOM 1295 N SER A 85 -3.648 -14.051 -6.499 1.00 1.00 N ATOM 1296 CA SER A 85 -2.916 -15.200 -5.972 1.00 1.00 C ATOM 1297 C SER A 85 -1.436 -14.853 -5.852 1.00 1.00 C ATOM 1298 O SER A 85 -0.662 -15.062 -6.787 1.00 1.00 O ATOM 1299 CB SER A 85 -3.092 -16.414 -6.895 1.00 1.00 C ATOM 1300 OG SER A 85 -1.935 -17.236 -6.817 1.00 1.00 O ATOM 0 H SER A 85 -4.412 -13.724 -5.908 1.00 1.00 H new ATOM 0 HA SER A 85 -3.312 -15.449 -4.987 1.00 1.00 H new ATOM 0 HB2 SER A 85 -3.976 -16.982 -6.603 1.00 1.00 H new ATOM 0 HB3 SER A 85 -3.249 -16.085 -7.922 1.00 1.00 H new ATOM 0 HG SER A 85 -1.160 -16.744 -7.161 1.00 1.00 H new ATOM 1306 N GLY A 86 -1.052 -14.305 -4.702 1.00 1.00 N ATOM 1307 CA GLY A 86 0.335 -13.911 -4.485 1.00 1.00 C ATOM 1308 C GLY A 86 0.700 -12.789 -5.448 1.00 1.00 C ATOM 1309 O GLY A 86 1.419 -13.001 -6.425 1.00 1.00 O ATOM 0 H GLY A 86 -1.675 -14.126 -3.914 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.474 -13.581 -3.456 1.00 1.00 H new ATOM 0 HA3 GLY A 86 0.995 -14.765 -4.638 1.00 1.00 H new ATOM 1313 N CYS A 87 0.167 -11.601 -5.181 1.00 1.00 N ATOM 1314 CA CYS A 87 0.399 -10.440 -6.047 1.00 1.00 C ATOM 1315 C CYS A 87 1.574 -9.589 -5.551 1.00 1.00 C ATOM 1316 O CYS A 87 1.661 -9.264 -4.368 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.884 -9.562 -6.102 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.272 -10.429 -5.322 1.00 1.00 S ATOM 0 H CYS A 87 -0.428 -11.412 -4.374 1.00 1.00 H new ATOM 0 HA CYS A 87 0.644 -10.811 -7.042 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.706 -8.614 -5.594 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.129 -9.328 -7.138 1.00 1.00 H new ATOM 1323 N LYS A 88 2.443 -9.189 -6.483 1.00 1.00 N ATOM 1324 CA LYS A 88 3.579 -8.325 -6.163 1.00 1.00 C ATOM 1325 C LYS A 88 3.349 -6.968 -6.814 1.00 1.00 C ATOM 1326 O LYS A 88 3.019 -6.901 -7.995 1.00 1.00 O ATOM 1327 CB LYS A 88 4.884 -8.920 -6.703 1.00 1.00 C ATOM 1328 CG LYS A 88 5.232 -10.210 -5.959 1.00 1.00 C ATOM 1329 CD LYS A 88 6.481 -10.823 -6.596 1.00 1.00 C ATOM 1330 CE LYS A 88 6.911 -12.071 -5.820 1.00 1.00 C ATOM 1331 NZ LYS A 88 5.840 -13.105 -5.901 1.00 1.00 N ATOM 0 H LYS A 88 2.380 -9.451 -7.467 1.00 1.00 H new ATOM 0 HA LYS A 88 3.662 -8.230 -5.080 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.784 -9.124 -7.769 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.693 -8.199 -6.591 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.410 -10.001 -4.904 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.399 -10.911 -6.009 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.278 -11.084 -7.635 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.290 -10.093 -6.603 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.841 -12.464 -6.230 1.00 1.00 H new ATOM 0 HE3 LYS A 88 7.105 -11.815 -4.778 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 6.222 -14.025 -5.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 5.052 -12.838 -5.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 5.498 -13.174 -6.881 1.00 1.00 H new ATOM 1345 N ILE A 89 3.524 -5.892 -6.049 1.00 1.00 N ATOM 1346 CA ILE A 89 3.330 -4.536 -6.580 1.00 1.00 C ATOM 1347 C ILE A 89 4.583 -3.707 -6.342 1.00 1.00 C ATOM 1348 O ILE A 89 5.379 -4.017 -5.455 1.00 1.00 O ATOM 1349 CB ILE A 89 2.124 -3.856 -5.910 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.384 -3.671 -4.403 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.876 -4.720 -6.100 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.207 -2.945 -3.732 1.00 1.00 C ATOM 0 H ILE A 89 3.797 -5.927 -5.067 1.00 1.00 H new ATOM 0 HA ILE A 89 3.137 -4.608 -7.650 1.00 1.00 H new ATOM 0 HB ILE A 89 1.973 -2.880 -6.371 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.533 -4.643 -3.933 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.301 -3.101 -4.255 1.00 1.00 H new ATOM 0 HG21 ILE A 89 0.023 -4.236 -5.624 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.677 -4.842 -7.165 1.00 1.00 H new ATOM 0 HG23 ILE A 89 1.038 -5.698 -5.646 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.412 -2.825 -2.668 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.076 -1.964 -4.189 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.297 -3.530 -3.862 1.00 1.00 H new ATOM 1364 N ARG A 90 4.755 -2.648 -7.129 1.00 1.00 N ATOM 1365 CA ARG A 90 5.921 -1.776 -6.982 1.00 1.00 C ATOM 1366 C ARG A 90 5.474 -0.324 -6.938 1.00 1.00 C ATOM 1367 O ARG A 90 4.594 0.086 -7.695 1.00 1.00 O ATOM 1368 CB ARG A 90 6.871 -1.986 -8.157 1.00 1.00 C ATOM 1369 CG ARG A 90 7.261 -3.462 -8.223 1.00 1.00 C ATOM 1370 CD ARG A 90 8.188 -3.693 -9.413 1.00 1.00 C ATOM 1371 NE ARG A 90 8.398 -5.125 -9.607 1.00 1.00 N ATOM 1372 CZ ARG A 90 9.055 -5.597 -10.663 1.00 1.00 C ATOM 1373 NH1 ARG A 90 9.584 -4.778 -11.532 1.00 1.00 N ATOM 1374 NH2 ARG A 90 9.179 -6.886 -10.826 1.00 1.00 N ATOM 0 H ARG A 90 4.109 -2.373 -7.869 1.00 1.00 H new ATOM 0 HA ARG A 90 6.437 -2.021 -6.054 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.392 -1.681 -9.088 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.760 -1.367 -8.038 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.757 -3.759 -7.299 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.369 -4.081 -8.319 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.756 -3.255 -10.313 1.00 1.00 H new ATOM 0 HD3 ARG A 90 9.143 -3.196 -9.243 1.00 1.00 H new ATOM 0 HE ARG A 90 8.032 -5.780 -8.916 1.00 1.00 H new ATOM 0 HH11 ARG A 90 9.495 -3.770 -11.403 1.00 1.00 H new ATOM 0 HH12 ARG A 90 10.087 -5.146 -12.340 1.00 1.00 H new ATOM 0 HH21 ARG A 90 8.773 -7.528 -10.145 1.00 1.00 H new ATOM 0 HH22 ARG A 90 9.682 -7.252 -11.634 1.00 1.00 H new ATOM 1388 N VAL A 91 6.078 0.450 -6.040 1.00 1.00 N ATOM 1389 CA VAL A 91 5.730 1.865 -5.888 1.00 1.00 C ATOM 1390 C VAL A 91 6.942 2.750 -6.143 1.00 1.00 C ATOM 1391 O VAL A 91 8.024 2.509 -5.607 1.00 1.00 O ATOM 1392 CB VAL A 91 5.209 2.118 -4.473 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.819 3.593 -4.319 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.989 1.230 -4.216 1.00 1.00 C ATOM 0 H VAL A 91 6.809 0.125 -5.407 1.00 1.00 H new ATOM 0 HA VAL A 91 4.958 2.109 -6.617 1.00 1.00 H new ATOM 0 HB VAL A 91 5.990 1.880 -3.751 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.448 3.768 -3.309 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.692 4.221 -4.499 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.039 3.840 -5.039 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.615 1.408 -3.208 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.208 1.466 -4.939 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.273 0.183 -4.318 1.00 1.00 H new ATOM 1404 N GLN A 92 6.751 3.782 -6.958 1.00 1.00 N ATOM 1405 CA GLN A 92 7.827 4.716 -7.281 1.00 1.00 C ATOM 1406 C GLN A 92 7.267 6.119 -7.489 1.00 1.00 C ATOM 1407 O GLN A 92 6.098 6.285 -7.836 1.00 1.00 O ATOM 1408 CB GLN A 92 8.555 4.259 -8.548 1.00 1.00 C ATOM 1409 CG GLN A 92 9.702 5.227 -8.854 1.00 1.00 C ATOM 1410 CD GLN A 92 10.561 4.678 -9.987 1.00 1.00 C ATOM 1411 OE1 GLN A 92 10.475 3.496 -10.318 1.00 1.00 O ATOM 1412 NE2 GLN A 92 11.395 5.472 -10.604 1.00 1.00 N ATOM 0 H GLN A 92 5.861 3.994 -7.408 1.00 1.00 H new ATOM 0 HA GLN A 92 8.531 4.736 -6.449 1.00 1.00 H new ATOM 0 HB2 GLN A 92 8.943 3.249 -8.413 1.00 1.00 H new ATOM 0 HB3 GLN A 92 7.860 4.224 -9.387 1.00 1.00 H new ATOM 0 HG2 GLN A 92 9.301 6.202 -9.130 1.00 1.00 H new ATOM 0 HG3 GLN A 92 10.312 5.374 -7.963 1.00 1.00 H new ATOM 0 HE21 GLN A 92 11.465 6.452 -10.328 1.00 1.00 H new ATOM 0 HE22 GLN A 92 11.976 5.112 -11.361 1.00 1.00 H new ATOM 1421 N GLY A 93 8.108 7.124 -7.273 1.00 1.00 N ATOM 1422 CA GLY A 93 7.687 8.510 -7.438 1.00 1.00 C ATOM 1423 C GLY A 93 8.895 9.440 -7.496 1.00 1.00 C ATOM 1424 O GLY A 93 10.028 9.016 -7.283 1.00 1.00 O ATOM 0 H GLY A 93 9.079 7.006 -6.985 1.00 1.00 H new ATOM 0 HA2 GLY A 93 7.101 8.610 -8.352 1.00 1.00 H new ATOM 0 HA3 GLY A 93 7.039 8.799 -6.610 1.00 1.00 H new ATOM 1428 N ASP A 94 8.649 10.707 -7.797 1.00 1.00 N ATOM 1429 CA ASP A 94 9.732 11.680 -7.884 1.00 1.00 C ATOM 1430 C ASP A 94 10.357 11.938 -6.510 1.00 1.00 C ATOM 1431 O ASP A 94 11.578 12.008 -6.375 1.00 1.00 O ATOM 1432 CB ASP A 94 9.199 12.993 -8.462 1.00 1.00 C ATOM 1433 CG ASP A 94 10.322 14.019 -8.566 1.00 1.00 C ATOM 1434 OD1 ASP A 94 11.409 13.732 -8.093 1.00 1.00 O ATOM 1435 OD2 ASP A 94 10.079 15.078 -9.120 1.00 1.00 O ATOM 0 H ASP A 94 7.720 11.084 -7.984 1.00 1.00 H new ATOM 0 HA ASP A 94 10.503 11.274 -8.538 1.00 1.00 H new ATOM 0 HB2 ASP A 94 8.767 12.816 -9.447 1.00 1.00 H new ATOM 0 HB3 ASP A 94 8.401 13.380 -7.828 1.00 1.00 H new ATOM 1440 N TRP A 95 9.505 12.103 -5.500 1.00 1.00 N ATOM 1441 CA TRP A 95 9.970 12.384 -4.139 1.00 1.00 C ATOM 1442 C TRP A 95 10.319 11.102 -3.373 1.00 1.00 C ATOM 1443 O TRP A 95 10.919 11.161 -2.300 1.00 1.00 O ATOM 1444 CB TRP A 95 8.897 13.184 -3.385 1.00 1.00 C ATOM 1445 CG TRP A 95 7.780 12.286 -2.946 1.00 1.00 C ATOM 1446 CD1 TRP A 95 7.141 11.386 -3.732 1.00 1.00 C ATOM 1447 CD2 TRP A 95 7.160 12.194 -1.632 1.00 1.00 C ATOM 1448 NE1 TRP A 95 6.176 10.744 -2.978 1.00 1.00 N ATOM 1449 CE2 TRP A 95 6.149 11.206 -1.680 1.00 1.00 C ATOM 1450 CE3 TRP A 95 7.379 12.861 -0.412 1.00 1.00 C ATOM 1451 CZ2 TRP A 95 5.380 10.893 -0.559 1.00 1.00 C ATOM 1452 CZ3 TRP A 95 6.605 12.547 0.717 1.00 1.00 C ATOM 1453 CH2 TRP A 95 5.608 11.566 0.643 1.00 1.00 C ATOM 0 H TRP A 95 8.491 12.048 -5.596 1.00 1.00 H new ATOM 0 HA TRP A 95 10.885 12.972 -4.210 1.00 1.00 H new ATOM 0 HB2 TRP A 95 9.342 13.671 -2.517 1.00 1.00 H new ATOM 0 HB3 TRP A 95 8.506 13.973 -4.027 1.00 1.00 H new ATOM 0 HD1 TRP A 95 7.351 11.201 -4.775 1.00 1.00 H new ATOM 0 HE1 TRP A 95 5.559 10.016 -3.339 1.00 1.00 H new ATOM 0 HE3 TRP A 95 8.146 13.618 -0.344 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 4.613 10.135 -0.620 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 6.780 13.065 1.648 1.00 1.00 H new ATOM 0 HH2 TRP A 95 5.016 11.330 1.515 1.00 1.00 H new ATOM 1464 N ILE A 96 9.937 9.948 -3.922 1.00 1.00 N ATOM 1465 CA ILE A 96 10.214 8.653 -3.278 1.00 1.00 C ATOM 1466 C ILE A 96 10.937 7.714 -4.244 1.00 1.00 C ATOM 1467 O ILE A 96 10.801 7.839 -5.457 1.00 1.00 O ATOM 1468 CB ILE A 96 8.894 8.018 -2.811 1.00 1.00 C ATOM 1469 CG1 ILE A 96 7.944 7.866 -4.011 1.00 1.00 C ATOM 1470 CG2 ILE A 96 8.245 8.909 -1.736 1.00 1.00 C ATOM 1471 CD1 ILE A 96 6.728 7.029 -3.601 1.00 1.00 C ATOM 0 H ILE A 96 9.436 9.878 -4.808 1.00 1.00 H new ATOM 0 HA ILE A 96 10.860 8.819 -2.416 1.00 1.00 H new ATOM 0 HB ILE A 96 9.093 7.034 -2.386 1.00 1.00 H new ATOM 0 HG12 ILE A 96 7.622 8.847 -4.359 1.00 1.00 H new ATOM 0 HG13 ILE A 96 8.464 7.388 -4.841 1.00 1.00 H new ATOM 0 HG21 ILE A 96 7.309 8.458 -1.406 1.00 1.00 H new ATOM 0 HG22 ILE A 96 8.921 9.005 -0.886 1.00 1.00 H new ATOM 0 HG23 ILE A 96 8.044 9.896 -2.154 1.00 1.00 H new ATOM 0 HD11 ILE A 96 6.056 6.922 -4.452 1.00 1.00 H new ATOM 0 HD12 ILE A 96 7.058 6.043 -3.274 1.00 1.00 H new ATOM 0 HD13 ILE A 96 6.203 7.525 -2.785 1.00 1.00 H new ATOM 1483 N ARG A 97 11.710 6.770 -3.705 1.00 1.00 N ATOM 1484 CA ARG A 97 12.447 5.828 -4.551 1.00 1.00 C ATOM 1485 C ARG A 97 11.626 4.566 -4.793 1.00 1.00 C ATOM 1486 O ARG A 97 10.666 4.289 -4.073 1.00 1.00 O ATOM 1487 CB ARG A 97 13.786 5.454 -3.902 1.00 1.00 C ATOM 1488 CG ARG A 97 13.552 4.728 -2.570 1.00 1.00 C ATOM 1489 CD ARG A 97 14.900 4.334 -1.962 1.00 1.00 C ATOM 1490 NE ARG A 97 14.690 3.623 -0.706 1.00 1.00 N ATOM 1491 CZ ARG A 97 15.698 3.035 -0.069 1.00 1.00 C ATOM 1492 NH1 ARG A 97 16.892 3.025 -0.599 1.00 1.00 N ATOM 1493 NH2 ARG A 97 15.489 2.454 1.081 1.00 1.00 N ATOM 0 H ARG A 97 11.842 6.637 -2.702 1.00 1.00 H new ATOM 0 HA ARG A 97 12.639 6.315 -5.507 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.358 4.816 -4.576 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.379 6.353 -3.734 1.00 1.00 H new ATOM 0 HG2 ARG A 97 13.005 5.373 -1.883 1.00 1.00 H new ATOM 0 HG3 ARG A 97 12.939 3.841 -2.730 1.00 1.00 H new ATOM 0 HD2 ARG A 97 15.453 3.704 -2.659 1.00 1.00 H new ATOM 0 HD3 ARG A 97 15.505 5.224 -1.789 1.00 1.00 H new ATOM 0 HE ARG A 97 13.752 3.576 -0.309 1.00 1.00 H new ATOM 0 HH11 ARG A 97 17.052 3.469 -1.503 1.00 1.00 H new ATOM 0 HH12 ARG A 97 17.664 2.573 -0.109 1.00 1.00 H new ATOM 0 HH21 ARG A 97 14.554 2.452 1.489 1.00 1.00 H new ATOM 0 HH22 ARG A 97 16.261 2.002 1.572 1.00 1.00 H new ATOM 1507 N GLU A 98 12.010 3.804 -5.810 1.00 1.00 N ATOM 1508 CA GLU A 98 11.301 2.575 -6.130 1.00 1.00 C ATOM 1509 C GLU A 98 11.416 1.579 -4.979 1.00 1.00 C ATOM 1510 O GLU A 98 12.491 1.387 -4.410 1.00 1.00 O ATOM 1511 CB GLU A 98 11.864 1.962 -7.420 1.00 1.00 C ATOM 1512 CG GLU A 98 13.283 1.445 -7.174 1.00 1.00 C ATOM 1513 CD GLU A 98 13.911 0.998 -8.488 1.00 1.00 C ATOM 1514 OE1 GLU A 98 13.200 0.962 -9.480 1.00 1.00 O ATOM 1515 OE2 GLU A 98 15.094 0.704 -8.488 1.00 1.00 O ATOM 0 H GLU A 98 12.800 4.014 -6.420 1.00 1.00 H new ATOM 0 HA GLU A 98 10.247 2.809 -6.282 1.00 1.00 H new ATOM 0 HB2 GLU A 98 11.223 1.146 -7.755 1.00 1.00 H new ATOM 0 HB3 GLU A 98 11.872 2.708 -8.214 1.00 1.00 H new ATOM 0 HG2 GLU A 98 13.890 2.228 -6.719 1.00 1.00 H new ATOM 0 HG3 GLU A 98 13.258 0.612 -6.471 1.00 1.00 H new ATOM 1522 N ARG A 99 10.295 0.948 -4.653 1.00 1.00 N ATOM 1523 CA ARG A 99 10.234 -0.044 -3.578 1.00 1.00 C ATOM 1524 C ARG A 99 9.415 -1.244 -4.050 1.00 1.00 C ATOM 1525 O ARG A 99 8.634 -1.125 -4.993 1.00 1.00 O ATOM 1526 CB ARG A 99 9.583 0.577 -2.339 1.00 1.00 C ATOM 1527 CG ARG A 99 10.456 1.720 -1.818 1.00 1.00 C ATOM 1528 CD ARG A 99 9.768 2.368 -0.617 1.00 1.00 C ATOM 1529 NE ARG A 99 8.545 3.039 -1.041 1.00 1.00 N ATOM 1530 CZ ARG A 99 7.748 3.636 -0.161 1.00 1.00 C ATOM 1531 NH1 ARG A 99 8.059 3.641 1.105 1.00 1.00 N ATOM 1532 NH2 ARG A 99 6.652 4.217 -0.565 1.00 1.00 N ATOM 0 H ARG A 99 9.403 1.106 -5.122 1.00 1.00 H new ATOM 0 HA ARG A 99 11.242 -0.370 -3.321 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.589 0.949 -2.586 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.457 -0.180 -1.565 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.437 1.343 -1.531 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.616 2.459 -2.603 1.00 1.00 H new ATOM 0 HD2 ARG A 99 9.535 1.610 0.131 1.00 1.00 H new ATOM 0 HD3 ARG A 99 10.441 3.085 -0.146 1.00 1.00 H new ATOM 0 HE ARG A 99 8.297 3.050 -2.030 1.00 1.00 H new ATOM 0 HH11 ARG A 99 8.915 3.186 1.422 1.00 1.00 H new ATOM 0 HH12 ARG A 99 7.446 4.100 1.779 1.00 1.00 H new ATOM 0 HH21 ARG A 99 6.408 4.213 -1.555 1.00 1.00 H new ATOM 0 HH22 ARG A 99 6.039 4.676 0.109 1.00 1.00 H new ATOM 1546 N ARG A 100 9.594 -2.403 -3.407 1.00 1.00 N ATOM 1547 CA ARG A 100 8.858 -3.617 -3.802 1.00 1.00 C ATOM 1548 C ARG A 100 8.049 -4.170 -2.634 1.00 1.00 C ATOM 1549 O ARG A 100 8.467 -4.092 -1.478 1.00 1.00 O ATOM 1550 CB ARG A 100 9.839 -4.679 -4.300 1.00 1.00 C ATOM 1551 CG ARG A 100 10.573 -4.137 -5.529 1.00 1.00 C ATOM 1552 CD ARG A 100 11.674 -5.108 -5.967 1.00 1.00 C ATOM 1553 NE ARG A 100 11.135 -6.249 -6.712 1.00 1.00 N ATOM 1554 CZ ARG A 100 10.938 -6.184 -8.030 1.00 1.00 C ATOM 1555 NH1 ARG A 100 10.937 -5.028 -8.637 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.700 -7.275 -8.708 1.00 1.00 N ATOM 0 H ARG A 100 10.232 -2.530 -2.621 1.00 1.00 H new ATOM 0 HA ARG A 100 8.168 -3.353 -4.603 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.552 -4.931 -3.515 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.306 -5.596 -4.553 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.866 -3.987 -6.345 1.00 1.00 H new ATOM 0 HG3 ARG A 100 11.008 -3.164 -5.301 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.398 -4.579 -6.587 1.00 1.00 H new ATOM 0 HD3 ARG A 100 12.210 -5.469 -5.089 1.00 1.00 H new ATOM 0 HE ARG A 100 10.906 -7.109 -6.214 1.00 1.00 H new ATOM 0 HH11 ARG A 100 11.087 -4.172 -8.103 1.00 1.00 H new ATOM 0 HH12 ARG A 100 10.786 -4.981 -9.645 1.00 1.00 H new ATOM 0 HH21 ARG A 100 10.665 -8.175 -8.230 1.00 1.00 H new ATOM 0 HH22 ARG A 100 10.549 -7.227 -9.716 1.00 1.00 H new ATOM 1570 N PHE A 101 6.877 -4.727 -2.952 1.00 1.00 N ATOM 1571 CA PHE A 101 5.993 -5.294 -1.929 1.00 1.00 C ATOM 1572 C PHE A 101 5.362 -6.589 -2.437 1.00 1.00 C ATOM 1573 O PHE A 101 5.240 -6.797 -3.643 1.00 1.00 O ATOM 1574 CB PHE A 101 4.885 -4.301 -1.587 1.00 1.00 C ATOM 1575 CG PHE A 101 5.489 -2.991 -1.139 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.860 -2.812 0.200 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.673 -1.954 -2.059 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.415 -1.597 0.616 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.229 -0.738 -1.643 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.599 -0.559 -0.305 1.00 1.00 C ATOM 0 H PHE A 101 6.519 -4.797 -3.905 1.00 1.00 H new ATOM 0 HA PHE A 101 6.585 -5.503 -1.038 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.248 -4.139 -2.457 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.251 -4.707 -0.799 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.718 -3.612 0.911 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.386 -2.091 -3.091 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.702 -1.460 1.648 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.372 0.062 -2.355 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.026 0.379 0.017 1.00 1.00 H new ATOM 1590 N GLU A 102 4.960 -7.459 -1.507 1.00 1.00 N ATOM 1591 CA GLU A 102 4.339 -8.736 -1.872 1.00 1.00 C ATOM 1592 C GLU A 102 3.170 -9.062 -0.946 1.00 1.00 C ATOM 1593 O GLU A 102 3.230 -8.815 0.259 1.00 1.00 O ATOM 1594 CB GLU A 102 5.389 -9.850 -1.805 1.00 1.00 C ATOM 1595 CG GLU A 102 4.761 -11.190 -2.212 1.00 1.00 C ATOM 1596 CD GLU A 102 5.824 -12.285 -2.205 1.00 1.00 C ATOM 1597 OE1 GLU A 102 6.996 -11.945 -2.173 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.449 -13.445 -2.231 1.00 1.00 O ATOM 0 H GLU A 102 5.052 -7.305 -0.503 1.00 1.00 H new ATOM 0 HA GLU A 102 3.952 -8.657 -2.888 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.223 -9.615 -2.466 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.792 -9.920 -0.795 1.00 1.00 H new ATOM 0 HG2 GLU A 102 3.956 -11.448 -1.524 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.318 -11.107 -3.204 1.00 1.00 H new ATOM 1605 N ILE A 103 2.104 -9.629 -1.520 1.00 1.00 N ATOM 1606 CA ILE A 103 0.916 -10.006 -0.753 1.00 1.00 C ATOM 1607 C ILE A 103 0.631 -11.499 -0.972 1.00 1.00 C ATOM 1608 O ILE A 103 -0.083 -11.856 -1.910 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.293 -9.188 -1.223 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.023 -7.672 -1.154 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.505 -9.520 -0.340 1.00 1.00 C ATOM 1612 CD1 ILE A 103 -0.212 -7.118 0.260 1.00 1.00 C ATOM 0 H ILE A 103 2.041 -9.837 -2.517 1.00 1.00 H new ATOM 0 HA ILE A 103 1.092 -9.809 0.304 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.520 -9.443 -2.258 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.059 -7.500 -1.447 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.603 -7.135 -1.866 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.366 -8.940 -0.671 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.732 -10.583 -0.418 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.278 -9.273 0.697 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.018 -6.053 0.276 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -1.254 -7.268 0.541 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.433 -7.639 0.967 1.00 1.00 H new ATOM 1624 N PRO A 104 1.187 -12.382 -0.166 1.00 1.00 N ATOM 1625 CA PRO A 104 0.984 -13.852 -0.346 1.00 1.00 C ATOM 1626 C PRO A 104 -0.441 -14.296 -0.021 1.00 1.00 C ATOM 1627 O PRO A 104 -0.855 -15.396 -0.389 1.00 1.00 O ATOM 1628 CB PRO A 104 2.012 -14.489 0.606 1.00 1.00 C ATOM 1629 CG PRO A 104 2.261 -13.459 1.660 1.00 1.00 C ATOM 1630 CD PRO A 104 2.056 -12.092 0.997 1.00 1.00 C ATOM 0 HA PRO A 104 1.125 -14.156 -1.383 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.627 -15.412 1.040 1.00 1.00 H new ATOM 0 HB3 PRO A 104 2.932 -14.744 0.079 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.576 -13.589 2.498 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.272 -13.549 2.058 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.586 -11.384 1.680 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.004 -11.653 0.687 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.190 -13.436 0.662 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.571 -13.756 1.019 1.00 1.00 C ATOM 1640 C ASP A 105 -3.502 -13.315 -0.102 1.00 1.00 C ATOM 1641 O ASP A 105 -3.748 -12.128 -0.285 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.937 -13.047 2.323 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.246 -13.727 3.500 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.775 -14.840 3.324 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.192 -13.124 4.559 1.00 1.00 O ATOM 0 H ASP A 105 -0.870 -12.520 0.978 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.675 -14.832 1.160 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.640 -11.999 2.272 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -4.018 -13.065 2.465 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.990 -14.287 -0.865 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.865 -14.011 -2.001 1.00 1.00 C ATOM 1652 C GLU A 106 -6.151 -13.303 -1.581 1.00 1.00 C ATOM 1653 O GLU A 106 -6.483 -12.252 -2.125 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.215 -15.326 -2.697 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.999 -15.043 -3.980 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.276 -16.349 -4.715 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -6.057 -17.396 -4.126 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.700 -16.285 -5.856 1.00 1.00 O ATOM 0 H GLU A 106 -3.794 -15.277 -0.717 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.329 -13.347 -2.679 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.304 -15.877 -2.931 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.806 -15.954 -2.031 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.938 -14.544 -3.741 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.433 -14.367 -4.621 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.877 -13.874 -0.629 1.00 1.00 N ATOM 1666 CA GLU A 107 -8.130 -13.267 -0.188 1.00 1.00 C ATOM 1667 C GLU A 107 -7.911 -11.809 0.202 1.00 1.00 C ATOM 1668 O GLU A 107 -8.711 -10.939 -0.145 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.722 -14.056 0.989 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.796 -13.975 2.205 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.329 -14.871 3.318 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -8.780 -15.962 3.009 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -8.276 -14.452 4.463 1.00 1.00 O ATOM 0 H GLU A 107 -6.628 -14.741 -0.153 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.838 -13.298 -1.016 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.704 -13.658 1.245 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.865 -15.098 0.702 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.788 -14.284 1.928 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.729 -12.945 2.555 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.821 -11.544 0.907 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.502 -10.184 1.318 1.00 1.00 C ATOM 1682 C HIS A 108 -6.092 -9.343 0.111 1.00 1.00 C ATOM 1683 O HIS A 108 -6.422 -8.160 0.026 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.364 -10.201 2.337 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.843 -10.746 3.664 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.958 -11.078 4.678 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -7.098 -11.018 4.163 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.679 -11.523 5.723 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.987 -11.508 5.462 1.00 1.00 N ATOM 0 H HIS A 108 -6.146 -12.248 1.205 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.390 -9.743 1.771 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.543 -10.812 1.962 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.975 -9.192 2.472 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -8.025 -10.873 3.629 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -5.251 -11.852 6.658 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -7.745 -11.794 6.082 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.364 -9.960 -0.817 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.903 -9.259 -2.011 1.00 1.00 C ATOM 1699 C CYS A 109 -6.080 -8.743 -2.830 1.00 1.00 C ATOM 1700 O CYS A 109 -5.996 -7.687 -3.455 1.00 1.00 O ATOM 1701 CB CYS A 109 -4.026 -10.194 -2.866 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.790 -9.232 -3.773 1.00 1.00 S ATOM 0 H CYS A 109 -5.082 -10.939 -0.765 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.308 -8.401 -1.697 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.531 -10.926 -2.227 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.649 -10.751 -3.565 1.00 1.00 H new ATOM 1707 N LEU A 110 -7.173 -9.491 -2.839 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.339 -9.083 -3.611 1.00 1.00 C ATOM 1709 C LEU A 110 -8.905 -7.765 -3.103 1.00 1.00 C ATOM 1710 O LEU A 110 -9.240 -6.883 -3.893 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.433 -10.147 -3.512 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.976 -11.449 -4.183 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -10.031 -12.536 -3.938 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.798 -11.232 -5.699 1.00 1.00 C ATOM 0 H LEU A 110 -7.278 -10.369 -2.330 1.00 1.00 H new ATOM 0 HA LEU A 110 -8.019 -8.961 -4.646 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.673 -10.335 -2.465 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.345 -9.786 -3.988 1.00 1.00 H new ATOM 0 HG LEU A 110 -8.021 -11.758 -3.759 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.713 -13.465 -4.412 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -10.146 -12.696 -2.866 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.984 -12.220 -4.362 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.474 -12.163 -6.164 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.747 -10.920 -6.136 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -8.048 -10.460 -5.870 1.00 1.00 H new ATOM 1726 N LYS A 111 -9.020 -7.634 -1.788 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.560 -6.411 -1.221 1.00 1.00 C ATOM 1728 C LYS A 111 -8.616 -5.242 -1.472 1.00 1.00 C ATOM 1729 O LYS A 111 -9.043 -4.142 -1.822 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.781 -6.566 0.284 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.900 -7.575 0.531 1.00 1.00 C ATOM 1732 CD LYS A 111 -11.101 -7.759 2.035 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.217 -8.774 2.272 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.416 -8.968 3.734 1.00 1.00 N ATOM 0 H LYS A 111 -8.752 -8.345 -1.108 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.516 -6.212 -1.705 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.862 -6.901 0.765 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -10.040 -5.604 0.726 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.825 -7.228 0.070 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.652 -8.530 0.067 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -10.176 -8.103 2.498 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.355 -6.806 2.499 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -13.142 -8.426 1.812 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.964 -9.724 1.800 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -13.176 -9.660 3.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.535 -9.319 4.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.676 -8.061 4.172 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.329 -5.500 -1.275 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.305 -4.483 -1.462 1.00 1.00 C ATOM 1750 C PHE A 112 -6.299 -3.963 -2.896 1.00 1.00 C ATOM 1751 O PHE A 112 -6.294 -2.753 -3.125 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.939 -5.096 -1.123 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.815 -4.178 -1.556 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.547 -3.004 -0.841 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -3.042 -4.506 -2.676 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.506 -2.163 -1.250 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -2.004 -3.663 -3.084 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.735 -2.494 -2.371 1.00 1.00 C ATOM 0 H PHE A 112 -6.970 -6.409 -0.985 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.517 -3.640 -0.804 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.873 -5.278 -0.050 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.836 -6.062 -1.617 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.142 -2.748 0.023 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -3.248 -5.412 -3.226 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.297 -1.257 -0.700 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.411 -3.916 -3.950 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.931 -1.844 -2.684 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.290 -4.878 -3.854 1.00 1.00 N ATOM 1769 CA LEU A 113 -6.270 -4.486 -5.254 1.00 1.00 C ATOM 1770 C LEU A 113 -7.568 -3.795 -5.655 1.00 1.00 C ATOM 1771 O LEU A 113 -7.549 -2.800 -6.377 1.00 1.00 O ATOM 1772 CB LEU A 113 -6.026 -5.716 -6.134 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.621 -6.278 -5.863 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.433 -7.570 -6.667 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.538 -5.252 -6.260 1.00 1.00 C ATOM 0 H LEU A 113 -6.296 -5.885 -3.690 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.458 -3.774 -5.398 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.778 -6.477 -5.928 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -6.124 -5.448 -7.186 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.521 -6.487 -4.798 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.438 -7.974 -6.479 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -5.184 -8.300 -6.364 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.543 -7.356 -7.730 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.551 -5.669 -6.060 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.627 -5.022 -7.322 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.671 -4.340 -5.679 1.00 1.00 H new ATOM 1787 N SER A 114 -8.691 -4.324 -5.190 1.00 1.00 N ATOM 1788 CA SER A 114 -9.988 -3.743 -5.517 1.00 1.00 C ATOM 1789 C SER A 114 -10.123 -2.326 -4.958 1.00 1.00 C ATOM 1790 O SER A 114 -10.616 -1.425 -5.636 1.00 1.00 O ATOM 1791 CB SER A 114 -11.104 -4.623 -4.956 1.00 1.00 C ATOM 1792 OG SER A 114 -11.015 -5.917 -5.540 1.00 1.00 O ATOM 0 H SER A 114 -8.732 -5.148 -4.590 1.00 1.00 H new ATOM 0 HA SER A 114 -10.068 -3.689 -6.603 1.00 1.00 H new ATOM 0 HB2 SER A 114 -11.018 -4.693 -3.872 1.00 1.00 H new ATOM 0 HB3 SER A 114 -12.076 -4.180 -5.171 1.00 1.00 H new ATOM 0 HG SER A 114 -10.231 -6.384 -5.183 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.703 -2.141 -3.709 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.803 -0.836 -3.061 1.00 1.00 C ATOM 1800 C ALA A 115 -8.818 0.172 -3.666 1.00 1.00 C ATOM 1801 O ALA A 115 -9.196 1.296 -4.000 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.547 -0.991 -1.553 1.00 1.00 C ATOM 0 H ALA A 115 -9.293 -2.873 -3.129 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.809 -0.449 -3.225 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.622 -0.017 -1.069 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.288 -1.666 -1.126 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.549 -1.400 -1.393 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.559 -0.235 -3.801 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.531 0.644 -4.361 1.00 1.00 C ATOM 1810 C VAL A 116 -6.822 0.958 -5.825 1.00 1.00 C ATOM 1811 O VAL A 116 -6.694 2.103 -6.260 1.00 1.00 O ATOM 1812 CB VAL A 116 -5.153 -0.015 -4.229 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -4.107 0.795 -5.005 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.753 -0.063 -2.752 1.00 1.00 C ATOM 0 H VAL A 116 -7.225 -1.161 -3.533 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.538 1.580 -3.803 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.201 -1.025 -4.635 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -3.131 0.319 -4.905 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.386 0.835 -6.058 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -4.060 1.807 -4.604 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.773 -0.531 -2.655 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.712 0.951 -2.353 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.489 -0.643 -2.194 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.208 -0.061 -6.581 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.505 0.126 -7.995 1.00 1.00 C ATOM 1826 C LEU A 117 -8.635 1.128 -8.164 1.00 1.00 C ATOM 1827 O LEU A 117 -8.569 2.016 -9.008 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.918 -1.213 -8.615 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.382 -1.014 -10.066 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.276 -0.337 -10.885 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.709 -2.381 -10.673 1.00 1.00 C ATOM 0 H LEU A 117 -7.322 -1.017 -6.243 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.614 0.504 -8.496 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -7.078 -1.908 -8.588 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.721 -1.660 -8.028 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.267 -0.379 -10.081 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.615 -0.201 -11.912 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -7.042 0.634 -10.448 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.383 -0.962 -10.878 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -9.040 -2.252 -11.704 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.819 -3.010 -10.654 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.501 -2.856 -10.095 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.670 0.968 -7.360 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.818 1.855 -7.428 1.00 1.00 C ATOM 1845 C ALA A 118 -10.409 3.287 -7.105 1.00 1.00 C ATOM 1846 O ALA A 118 -10.892 4.235 -7.725 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.893 1.393 -6.444 1.00 1.00 C ATOM 0 H ALA A 118 -9.740 0.235 -6.654 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.218 1.825 -8.442 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.751 2.063 -6.501 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.207 0.380 -6.697 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.489 1.406 -5.432 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.513 3.441 -6.137 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.055 4.768 -5.752 1.00 1.00 C ATOM 1855 C ALA A 119 -8.350 5.456 -6.917 1.00 1.00 C ATOM 1856 O ALA A 119 -8.652 6.601 -7.242 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.099 4.668 -4.561 1.00 1.00 C ATOM 0 H ALA A 119 -9.095 2.674 -5.611 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.925 5.361 -5.470 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.762 5.666 -4.280 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.615 4.209 -3.718 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.238 4.058 -4.835 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.414 4.754 -7.546 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.680 5.322 -8.676 1.00 1.00 C ATOM 1865 C GLN A 120 -7.580 5.459 -9.902 1.00 1.00 C ATOM 1866 O GLN A 120 -7.467 6.419 -10.662 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.462 4.455 -9.013 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.392 4.634 -7.930 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.183 3.755 -8.236 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.305 2.533 -8.308 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.012 4.308 -8.420 1.00 1.00 N ATOM 0 H GLN A 120 -7.146 3.802 -7.298 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.339 6.316 -8.388 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.755 3.407 -9.080 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.060 4.736 -9.986 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.087 5.679 -7.878 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.803 4.373 -6.955 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -1.911 5.321 -8.360 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.199 3.726 -8.623 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.467 4.493 -10.085 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.389 4.501 -11.213 1.00 1.00 C ATOM 1882 C LYS A 121 -10.309 5.714 -11.131 1.00 1.00 C ATOM 1883 O LYS A 121 -10.545 6.400 -12.126 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.221 3.220 -11.182 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.124 3.128 -12.410 1.00 1.00 C ATOM 1886 CD LYS A 121 -11.933 1.835 -12.309 1.00 1.00 C ATOM 1887 CE LYS A 121 -12.847 1.685 -13.527 1.00 1.00 C ATOM 1888 NZ LYS A 121 -13.620 0.414 -13.416 1.00 1.00 N ATOM 0 H LYS A 121 -8.569 3.690 -9.465 1.00 1.00 H new ATOM 0 HA LYS A 121 -8.824 4.554 -12.144 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.561 2.353 -11.145 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.828 3.197 -10.277 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -11.789 3.990 -12.459 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.528 3.133 -13.322 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.259 0.981 -12.244 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.529 1.841 -11.397 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.529 2.533 -13.590 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -12.254 1.684 -14.442 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -14.241 0.312 -14.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -12.962 -0.390 -13.376 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -14.197 0.433 -12.551 1.00 1.00 H new ATOM 1902 N ALA A 122 -10.829 5.965 -9.934 1.00 1.00 N ATOM 1903 CA ALA A 122 -11.728 7.095 -9.721 1.00 1.00 C ATOM 1904 C ALA A 122 -11.023 8.424 -9.993 1.00 1.00 C ATOM 1905 O ALA A 122 -11.615 9.337 -10.570 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.251 7.080 -8.283 1.00 1.00 C ATOM 0 H ALA A 122 -10.645 5.406 -9.101 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.560 6.998 -10.418 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -12.921 7.926 -8.131 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.792 6.151 -8.102 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.413 7.152 -7.590 1.00 1.00 H new ATOM 1912 N GLN A 123 -9.763 8.533 -9.576 1.00 1.00 N ATOM 1913 CA GLN A 123 -9.009 9.768 -9.791 1.00 1.00 C ATOM 1914 C GLN A 123 -8.731 9.984 -11.276 1.00 1.00 C ATOM 1915 O GLN A 123 -8.827 11.103 -11.777 1.00 1.00 O ATOM 1916 CB GLN A 123 -7.686 9.721 -9.024 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.967 9.750 -7.521 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.660 9.652 -6.742 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.581 9.677 -7.332 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.694 9.538 -5.442 1.00 1.00 N ATOM 0 H GLN A 123 -9.249 7.795 -9.095 1.00 1.00 H new ATOM 0 HA GLN A 123 -9.611 10.599 -9.423 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -7.134 8.818 -9.284 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -7.060 10.568 -9.304 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.488 10.671 -7.258 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -8.624 8.924 -7.250 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.590 9.518 -4.955 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.825 9.469 -4.913 1.00 1.00 H new ATOM 1929 N SER A 124 -8.383 8.906 -11.971 1.00 1.00 N ATOM 1930 CA SER A 124 -8.092 8.992 -13.398 1.00 1.00 C ATOM 1931 C SER A 124 -9.343 9.379 -14.179 1.00 1.00 C ATOM 1932 O SER A 124 -9.238 9.541 -15.384 1.00 1.00 O ATOM 1933 CB SER A 124 -7.566 7.650 -13.907 1.00 1.00 C ATOM 1934 OG SER A 124 -6.315 7.371 -13.290 1.00 1.00 O ATOM 1935 OXT SER A 124 -10.387 9.507 -13.561 1.00 1.00 O ATOM 0 H SER A 124 -8.296 7.970 -11.574 1.00 1.00 H new ATOM 0 HA SER A 124 -7.333 9.760 -13.547 1.00 1.00 H new ATOM 0 HB2 SER A 124 -8.280 6.858 -13.682 1.00 1.00 H new ATOM 0 HB3 SER A 124 -7.452 7.678 -14.991 1.00 1.00 H new ATOM 0 HG SER A 124 -6.465 7.050 -12.376 1.00 1.00 H new TER 1941 SER A 124