USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 85 SER OG : rot -83:sc= 0.918 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -0.0763 USER MOD Set 2.1: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 62:sc= -0.476! USER MOD Set 3.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 15 ASN : amide:sc= -15.6! C(o=-16!,f=-22!) USER MOD Single : A 19 SER OG : rot -79:sc= 0.245 USER MOD Single : A 20 GLN : amide:sc= -0.995! K(o=-1!,f=0) USER MOD Single : A 27 GLN : amide:sc= -2.85! C(o=-2.9!,f=-5.7!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -100:sc= -0.364! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 47 MET CE :methyl 147:sc= -3.03 (180deg=-5.34!) USER MOD Single : A 50 GLN : amide:sc= -2.02! K(o=-2!,f=-0.71) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00818 K(o=-0.0082,f=-1.1) USER MOD Single : A 69 THR OG1 : rot -150:sc= 0.491 USER MOD Single : A 71 MET CE :methyl 154:sc= -0.725 (180deg=-2.56!) USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= -0.0237 (180deg=-0.204) USER MOD Single : A 79 HIS : no HD1:sc= -14.2! C(o=-14!,f=-15!) USER MOD Single : A 80 THR OG1 : rot 150:sc= -2.26! USER MOD Single : A 83 HIS : no HE2:sc= -7.18! C(o=-7.2!,f=-7.1!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot 180:sc=-0.00101 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 36:sc= 0.00254 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.282 14.625 6.823 1.00 0.00 N ATOM 2 CA ALA A 1 19.461 14.712 8.058 1.00 0.00 C ATOM 3 C ALA A 1 18.217 13.838 7.953 1.00 0.00 C ATOM 4 O ALA A 1 17.531 13.833 6.931 1.00 0.00 O ATOM 5 CB ALA A 1 19.067 16.156 8.330 1.00 0.00 C ATOM 0 H1 ALA A 1 21.122 15.230 6.922 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.580 13.640 6.673 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.719 14.945 6.009 1.00 0.00 H new ATOM 0 HA ALA A 1 20.063 14.346 8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.466 16.204 9.238 1.00 0.00 H new ATOM 0 HB2 ALA A 1 19.965 16.760 8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.487 16.539 7.490 1.00 0.00 H new ATOM 13 N PRO A 2 17.915 13.083 9.018 1.00 0.00 N ATOM 14 CA PRO A 2 16.750 12.193 9.056 1.00 0.00 C ATOM 15 C PRO A 2 15.431 12.952 8.951 1.00 0.00 C ATOM 16 O PRO A 2 14.780 12.940 7.907 1.00 0.00 O ATOM 17 CB PRO A 2 16.859 11.504 10.421 1.00 0.00 C ATOM 18 CG PRO A 2 17.744 12.386 11.235 1.00 0.00 C ATOM 19 CD PRO A 2 18.690 13.037 10.267 1.00 0.00 C ATOM 0 HA PRO A 2 16.749 11.500 8.214 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.879 11.393 10.885 1.00 0.00 H new ATOM 0 HB3 PRO A 2 17.281 10.504 10.325 1.00 0.00 H new ATOM 0 HG2 PRO A 2 17.161 13.134 11.772 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.288 11.809 11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.981 14.034 10.597 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.607 12.460 10.151 1.00 0.00 H new ATOM 27 N ASP A 3 15.041 13.607 10.040 1.00 0.00 N ATOM 28 CA ASP A 3 13.795 14.365 10.068 1.00 0.00 C ATOM 29 C ASP A 3 12.611 13.466 9.724 1.00 0.00 C ATOM 30 O ASP A 3 12.602 12.283 10.062 1.00 0.00 O ATOM 31 CB ASP A 3 13.865 15.538 9.090 1.00 0.00 C ATOM 32 CG ASP A 3 15.235 16.186 9.064 1.00 0.00 C ATOM 33 OD1 ASP A 3 16.084 15.812 9.901 1.00 0.00 O ATOM 34 OD2 ASP A 3 15.458 17.067 8.209 1.00 0.00 O ATOM 0 H ASP A 3 15.568 13.628 10.913 1.00 0.00 H new ATOM 0 HA ASP A 3 13.654 14.754 11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.612 15.189 8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.119 16.283 9.366 1.00 0.00 H new ATOM 39 N VAL A 4 11.614 14.030 9.048 1.00 0.00 N ATOM 40 CA VAL A 4 10.432 13.268 8.662 1.00 0.00 C ATOM 41 C VAL A 4 10.088 13.485 7.193 1.00 0.00 C ATOM 42 O VAL A 4 10.740 14.266 6.501 1.00 0.00 O ATOM 43 CB VAL A 4 9.211 13.643 9.520 1.00 0.00 C ATOM 44 CG1 VAL A 4 8.265 12.460 9.644 1.00 0.00 C ATOM 45 CG2 VAL A 4 9.652 14.129 10.892 1.00 0.00 C ATOM 0 H VAL A 4 11.601 15.008 8.758 1.00 0.00 H new ATOM 0 HA VAL A 4 10.673 12.218 8.826 1.00 0.00 H new ATOM 0 HB VAL A 4 8.678 14.456 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.407 12.743 10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.923 12.162 8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.785 11.626 10.114 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.775 14.390 11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.209 13.339 11.396 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.288 15.007 10.780 1.00 0.00 H new ATOM 55 N GLN A 5 9.059 12.787 6.726 1.00 0.00 N ATOM 56 CA GLN A 5 8.624 12.899 5.338 1.00 0.00 C ATOM 57 C GLN A 5 7.106 13.030 5.254 1.00 0.00 C ATOM 58 O GLN A 5 6.379 12.470 6.074 1.00 0.00 O ATOM 59 CB GLN A 5 9.088 11.679 4.539 1.00 0.00 C ATOM 60 CG GLN A 5 9.165 11.926 3.042 1.00 0.00 C ATOM 61 CD GLN A 5 8.290 10.976 2.246 1.00 0.00 C ATOM 62 OE1 GLN A 5 7.288 10.467 2.748 1.00 0.00 O ATOM 63 NE2 GLN A 5 8.666 10.735 0.996 1.00 0.00 N ATOM 0 H GLN A 5 8.510 12.137 7.288 1.00 0.00 H new ATOM 0 HA GLN A 5 9.072 13.797 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 5 10.070 11.371 4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.405 10.850 4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.865 12.953 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.199 11.822 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.504 11.179 0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.117 10.106 0.411 1.00 0.00 H new ATOM 72 N ASP A 6 6.634 13.776 4.260 1.00 0.00 N ATOM 73 CA ASP A 6 5.201 13.984 4.071 1.00 0.00 C ATOM 74 C ASP A 6 4.625 12.977 3.077 1.00 0.00 C ATOM 75 O ASP A 6 5.302 12.559 2.137 1.00 0.00 O ATOM 76 CB ASP A 6 4.935 15.407 3.581 1.00 0.00 C ATOM 77 CG ASP A 6 5.517 16.459 4.506 1.00 0.00 C ATOM 78 OD1 ASP A 6 5.943 16.098 5.623 1.00 0.00 O ATOM 79 OD2 ASP A 6 5.547 17.643 4.112 1.00 0.00 O ATOM 0 H ASP A 6 7.222 14.247 3.573 1.00 0.00 H new ATOM 0 HA ASP A 6 4.710 13.836 5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.359 15.530 2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.860 15.562 3.491 1.00 0.00 H new ATOM 84 N CYS A 7 3.370 12.592 3.292 1.00 0.00 N ATOM 85 CA CYS A 7 2.700 11.634 2.417 1.00 0.00 C ATOM 86 C CYS A 7 1.315 11.288 2.953 1.00 0.00 C ATOM 87 O CYS A 7 1.129 11.126 4.160 1.00 0.00 O ATOM 88 CB CYS A 7 3.541 10.361 2.284 1.00 0.00 C ATOM 89 SG CYS A 7 2.872 9.142 1.104 1.00 0.00 S ATOM 0 H CYS A 7 2.796 12.929 4.065 1.00 0.00 H new ATOM 0 HA CYS A 7 2.587 12.091 1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.549 10.636 1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.627 9.892 3.264 1.00 0.00 H new ATOM 94 N PRO A 8 0.322 11.168 2.059 1.00 0.00 N ATOM 95 CA PRO A 8 -1.053 10.838 2.440 1.00 0.00 C ATOM 96 C PRO A 8 -1.117 9.625 3.362 1.00 0.00 C ATOM 97 O PRO A 8 -0.087 9.117 3.806 1.00 0.00 O ATOM 98 CB PRO A 8 -1.748 10.537 1.102 1.00 0.00 C ATOM 99 CG PRO A 8 -0.661 10.495 0.076 1.00 0.00 C ATOM 100 CD PRO A 8 0.456 11.342 0.611 1.00 0.00 C ATOM 0 HA PRO A 8 -1.524 11.648 2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.282 9.588 1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.482 11.306 0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.326 9.472 -0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.015 10.878 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.428 11.006 0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.350 12.386 0.316 1.00 0.00 H new ATOM 108 N GLU A 9 -2.330 9.164 3.649 1.00 0.00 N ATOM 109 CA GLU A 9 -2.521 8.010 4.520 1.00 0.00 C ATOM 110 C GLU A 9 -3.000 6.801 3.726 1.00 0.00 C ATOM 111 O GLU A 9 -3.379 6.919 2.561 1.00 0.00 O ATOM 112 CB GLU A 9 -3.528 8.335 5.625 1.00 0.00 C ATOM 113 CG GLU A 9 -3.091 7.861 7.002 1.00 0.00 C ATOM 114 CD GLU A 9 -3.981 6.762 7.551 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.799 6.219 6.779 1.00 0.00 O ATOM 116 OE2 GLU A 9 -3.858 6.444 8.752 1.00 0.00 O ATOM 0 H GLU A 9 -3.194 9.571 3.292 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.559 7.770 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.688 9.413 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.486 7.877 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.064 7.499 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.096 8.705 7.691 1.00 0.00 H new ATOM 123 N CYS A 10 -2.980 5.637 4.367 1.00 0.00 N ATOM 124 CA CYS A 10 -3.412 4.403 3.724 1.00 0.00 C ATOM 125 C CYS A 10 -4.887 4.141 3.998 1.00 0.00 C ATOM 126 O CYS A 10 -5.330 4.180 5.146 1.00 0.00 O ATOM 127 CB CYS A 10 -2.575 3.225 4.220 1.00 0.00 C ATOM 128 SG CYS A 10 -3.052 1.622 3.498 1.00 0.00 S ATOM 0 H CYS A 10 -2.669 5.523 5.332 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.271 4.512 2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.526 3.417 3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.660 3.163 5.305 1.00 0.00 H new ATOM 133 N THR A 11 -5.649 3.871 2.942 1.00 0.00 N ATOM 134 CA THR A 11 -7.070 3.605 3.090 1.00 0.00 C ATOM 135 C THR A 11 -7.666 3.139 1.778 1.00 0.00 C ATOM 136 O THR A 11 -6.947 2.880 0.814 1.00 0.00 O ATOM 137 CB THR A 11 -7.804 4.856 3.569 1.00 0.00 C ATOM 138 OG1 THR A 11 -9.191 4.604 3.696 1.00 0.00 O ATOM 139 CG2 THR A 11 -7.637 6.042 2.642 1.00 0.00 C ATOM 0 H THR A 11 -5.306 3.832 1.982 1.00 0.00 H new ATOM 0 HA THR A 11 -7.188 2.817 3.833 1.00 0.00 H new ATOM 0 HB THR A 11 -7.356 5.102 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.644 5.416 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.184 6.896 3.042 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.580 6.294 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.027 5.791 1.656 1.00 0.00 H new ATOM 147 N LEU A 12 -8.984 3.041 1.748 1.00 0.00 N ATOM 148 CA LEU A 12 -9.680 2.610 0.553 1.00 0.00 C ATOM 149 C LEU A 12 -10.092 3.789 -0.290 1.00 0.00 C ATOM 150 O LEU A 12 -10.588 4.794 0.220 1.00 0.00 O ATOM 151 CB LEU A 12 -10.901 1.791 0.917 1.00 0.00 C ATOM 152 CG LEU A 12 -10.584 0.412 1.466 1.00 0.00 C ATOM 153 CD1 LEU A 12 -9.495 0.509 2.519 1.00 0.00 C ATOM 154 CD2 LEU A 12 -11.840 -0.208 2.039 1.00 0.00 C ATOM 0 H LEU A 12 -9.592 3.255 2.539 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.994 1.992 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.485 2.339 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.529 1.682 0.032 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.220 -0.226 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.274 -0.485 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.595 0.933 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.833 1.150 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.610 -1.198 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.223 0.422 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.593 -0.295 1.256 1.00 0.00 H new ATOM 166 N GLN A 13 -9.890 3.660 -1.585 1.00 0.00 N ATOM 167 CA GLN A 13 -10.253 4.724 -2.494 1.00 0.00 C ATOM 168 C GLN A 13 -11.448 4.340 -3.321 1.00 0.00 C ATOM 169 O GLN A 13 -11.411 4.326 -4.551 1.00 0.00 O ATOM 170 CB GLN A 13 -9.097 5.100 -3.376 1.00 0.00 C ATOM 171 CG GLN A 13 -8.232 6.187 -2.768 1.00 0.00 C ATOM 172 CD GLN A 13 -7.897 7.294 -3.746 1.00 0.00 C ATOM 173 OE1 GLN A 13 -7.612 7.042 -4.917 1.00 0.00 O ATOM 174 NE2 GLN A 13 -7.932 8.532 -3.266 1.00 0.00 N ATOM 0 H GLN A 13 -9.481 2.837 -2.027 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.519 5.596 -1.896 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.486 4.217 -3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.475 5.438 -4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.747 6.614 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.307 5.744 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.174 8.693 -2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.717 9.321 -3.875 1.00 0.00 H new ATOM 183 N GLU A 14 -12.492 4.021 -2.600 1.00 0.00 N ATOM 184 CA GLU A 14 -13.765 3.606 -3.172 1.00 0.00 C ATOM 185 C GLU A 14 -13.711 3.589 -4.683 1.00 0.00 C ATOM 186 O GLU A 14 -13.447 4.598 -5.337 1.00 0.00 O ATOM 187 CB GLU A 14 -14.906 4.497 -2.712 1.00 0.00 C ATOM 188 CG GLU A 14 -16.219 4.213 -3.426 1.00 0.00 C ATOM 189 CD GLU A 14 -17.027 5.472 -3.679 1.00 0.00 C ATOM 190 OE1 GLU A 14 -17.670 5.966 -2.729 1.00 0.00 O ATOM 191 OE2 GLU A 14 -17.014 5.965 -4.826 1.00 0.00 O ATOM 0 H GLU A 14 -12.490 4.040 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.952 2.593 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -15.049 4.367 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.631 5.539 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -16.013 3.720 -4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.811 3.519 -2.829 1.00 0.00 H new ATOM 198 N ASN A 15 -13.962 2.421 -5.210 1.00 0.00 N ATOM 199 CA ASN A 15 -13.947 2.192 -6.636 1.00 0.00 C ATOM 200 C ASN A 15 -14.737 3.244 -7.392 1.00 0.00 C ATOM 201 O ASN A 15 -15.963 3.177 -7.470 1.00 0.00 O ATOM 202 CB ASN A 15 -14.504 0.817 -6.947 1.00 0.00 C ATOM 203 CG ASN A 15 -13.682 0.090 -7.982 1.00 0.00 C ATOM 204 OD1 ASN A 15 -14.091 -0.060 -9.133 1.00 0.00 O ATOM 205 ND2 ASN A 15 -12.512 -0.365 -7.571 1.00 0.00 N ATOM 0 H ASN A 15 -14.185 1.592 -4.660 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.909 2.256 -6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -14.539 0.226 -6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -15.530 0.914 -7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.904 -0.866 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.217 -0.215 -6.606 1.00 0.00 H new ATOM 212 N PRO A 16 -14.039 4.209 -7.999 1.00 0.00 N ATOM 213 CA PRO A 16 -14.681 5.249 -8.794 1.00 0.00 C ATOM 214 C PRO A 16 -15.159 4.673 -10.117 1.00 0.00 C ATOM 215 O PRO A 16 -15.448 5.397 -11.070 1.00 0.00 O ATOM 216 CB PRO A 16 -13.563 6.267 -9.015 1.00 0.00 C ATOM 217 CG PRO A 16 -12.307 5.464 -8.957 1.00 0.00 C ATOM 218 CD PRO A 16 -12.570 4.337 -7.993 1.00 0.00 C ATOM 0 HA PRO A 16 -15.557 5.684 -8.314 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.668 6.769 -9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.574 7.041 -8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.046 5.079 -9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.470 6.076 -8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.086 3.414 -8.314 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.192 4.566 -6.997 1.00 0.00 H new ATOM 226 N PHE A 17 -15.229 3.346 -10.151 1.00 0.00 N ATOM 227 CA PHE A 17 -15.656 2.611 -11.325 1.00 0.00 C ATOM 228 C PHE A 17 -16.910 1.812 -11.016 1.00 0.00 C ATOM 229 O PHE A 17 -17.950 1.985 -11.650 1.00 0.00 O ATOM 230 CB PHE A 17 -14.552 1.654 -11.768 1.00 0.00 C ATOM 231 CG PHE A 17 -14.785 1.081 -13.132 1.00 0.00 C ATOM 232 CD1 PHE A 17 -15.964 0.416 -13.429 1.00 0.00 C ATOM 233 CD2 PHE A 17 -13.828 1.217 -14.119 1.00 0.00 C ATOM 234 CE1 PHE A 17 -16.182 -0.104 -14.690 1.00 0.00 C ATOM 235 CE2 PHE A 17 -14.040 0.702 -15.384 1.00 0.00 C ATOM 236 CZ PHE A 17 -15.218 0.039 -15.669 1.00 0.00 C ATOM 0 H PHE A 17 -14.989 2.752 -9.358 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.868 3.323 -12.123 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.598 2.181 -11.760 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.473 0.840 -11.047 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -16.720 0.303 -12.666 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.904 1.731 -13.900 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -17.104 -0.621 -14.910 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.286 0.818 -16.148 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.385 -0.367 -16.656 1.00 0.00 H new ATOM 246 N PHE A 18 -16.790 0.933 -10.032 1.00 0.00 N ATOM 247 CA PHE A 18 -17.899 0.090 -9.618 1.00 0.00 C ATOM 248 C PHE A 18 -18.853 0.868 -8.729 1.00 0.00 C ATOM 249 O PHE A 18 -19.902 0.363 -8.332 1.00 0.00 O ATOM 250 CB PHE A 18 -17.370 -1.138 -8.881 1.00 0.00 C ATOM 251 CG PHE A 18 -16.103 -1.676 -9.476 1.00 0.00 C ATOM 252 CD1 PHE A 18 -15.783 -1.413 -10.795 1.00 0.00 C ATOM 253 CD2 PHE A 18 -15.235 -2.444 -8.721 1.00 0.00 C ATOM 254 CE1 PHE A 18 -14.620 -1.903 -11.353 1.00 0.00 C ATOM 255 CE2 PHE A 18 -14.068 -2.940 -9.271 1.00 0.00 C ATOM 256 CZ PHE A 18 -13.760 -2.668 -10.590 1.00 0.00 C ATOM 0 H PHE A 18 -15.930 0.786 -9.504 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.444 -0.236 -10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -17.194 -0.881 -7.837 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -18.131 -1.918 -8.893 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.452 -0.816 -11.397 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.472 -2.659 -7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.383 -1.689 -12.385 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.399 -3.539 -8.671 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.849 -3.053 -11.023 1.00 0.00 H new ATOM 266 N SER A 19 -18.485 2.106 -8.426 1.00 0.00 N ATOM 267 CA SER A 19 -19.312 2.958 -7.591 1.00 0.00 C ATOM 268 C SER A 19 -20.670 3.182 -8.241 1.00 0.00 C ATOM 269 O SER A 19 -20.801 3.964 -9.184 1.00 0.00 O ATOM 270 CB SER A 19 -18.619 4.296 -7.342 1.00 0.00 C ATOM 271 OG SER A 19 -17.734 4.620 -8.401 1.00 0.00 O ATOM 0 H SER A 19 -17.619 2.540 -8.747 1.00 0.00 H new ATOM 0 HA SER A 19 -19.462 2.460 -6.633 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.367 5.082 -7.236 1.00 0.00 H new ATOM 0 HB3 SER A 19 -18.067 4.253 -6.403 1.00 0.00 H new ATOM 0 HG SER A 19 -16.903 4.111 -8.300 1.00 0.00 H new ATOM 277 N GLN A 20 -21.677 2.484 -7.735 1.00 0.00 N ATOM 278 CA GLN A 20 -23.029 2.595 -8.267 1.00 0.00 C ATOM 279 C GLN A 20 -23.995 3.070 -7.189 1.00 0.00 C ATOM 280 O GLN A 20 -23.643 3.130 -6.011 1.00 0.00 O ATOM 281 CB GLN A 20 -23.489 1.244 -8.820 1.00 0.00 C ATOM 282 CG GLN A 20 -22.349 0.270 -9.069 1.00 0.00 C ATOM 283 CD GLN A 20 -22.789 -0.970 -9.823 1.00 0.00 C ATOM 284 OE1 GLN A 20 -21.964 -1.701 -10.370 1.00 0.00 O ATOM 285 NE2 GLN A 20 -24.094 -1.217 -9.855 1.00 0.00 N ATOM 0 H GLN A 20 -21.583 1.833 -6.955 1.00 0.00 H new ATOM 0 HA GLN A 20 -23.021 3.328 -9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -24.194 0.795 -8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -24.027 1.407 -9.754 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.564 0.773 -9.633 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -21.915 -0.026 -8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -24.744 -0.585 -9.388 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -24.446 -2.039 -10.346 1.00 0.00 H new ATOM 294 N PRO A 21 -25.233 3.411 -7.577 1.00 0.00 N ATOM 295 CA PRO A 21 -26.251 3.874 -6.632 1.00 0.00 C ATOM 296 C PRO A 21 -26.630 2.786 -5.636 1.00 0.00 C ATOM 297 O PRO A 21 -27.790 2.382 -5.551 1.00 0.00 O ATOM 298 CB PRO A 21 -27.444 4.230 -7.525 1.00 0.00 C ATOM 299 CG PRO A 21 -27.229 3.459 -8.782 1.00 0.00 C ATOM 300 CD PRO A 21 -25.739 3.363 -8.960 1.00 0.00 C ATOM 0 HA PRO A 21 -25.902 4.712 -6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -28.387 3.957 -7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -27.484 5.301 -7.721 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -27.678 2.468 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -27.692 3.961 -9.632 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -25.452 2.439 -9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -25.351 4.186 -9.560 1.00 0.00 H new ATOM 308 N GLY A 22 -25.639 2.312 -4.888 1.00 0.00 N ATOM 309 CA GLY A 22 -25.879 1.270 -3.907 1.00 0.00 C ATOM 310 C GLY A 22 -24.640 0.455 -3.603 1.00 0.00 C ATOM 311 O GLY A 22 -24.606 -0.288 -2.621 1.00 0.00 O ATOM 0 H GLY A 22 -24.672 2.632 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.246 1.722 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.664 0.607 -4.272 1.00 0.00 H new ATOM 315 N ALA A 23 -23.621 0.582 -4.446 1.00 0.00 N ATOM 316 CA ALA A 23 -22.388 -0.165 -4.251 1.00 0.00 C ATOM 317 C ALA A 23 -21.174 0.626 -4.692 1.00 0.00 C ATOM 318 O ALA A 23 -20.922 0.820 -5.881 1.00 0.00 O ATOM 319 CB ALA A 23 -22.467 -1.491 -4.981 1.00 0.00 C ATOM 0 H ALA A 23 -23.625 1.191 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.273 -0.354 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -21.540 -2.045 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.304 -2.071 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -22.614 -1.312 -6.046 1.00 0.00 H new ATOM 325 N PRO A 24 -20.432 1.118 -3.704 1.00 0.00 N ATOM 326 CA PRO A 24 -19.254 1.929 -3.889 1.00 0.00 C ATOM 327 C PRO A 24 -17.958 1.186 -3.605 1.00 0.00 C ATOM 328 O PRO A 24 -17.257 1.485 -2.639 1.00 0.00 O ATOM 329 CB PRO A 24 -19.510 3.001 -2.839 1.00 0.00 C ATOM 330 CG PRO A 24 -20.244 2.292 -1.729 1.00 0.00 C ATOM 331 CD PRO A 24 -20.711 0.970 -2.281 1.00 0.00 C ATOM 0 HA PRO A 24 -19.119 2.282 -4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.576 3.434 -2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.105 3.819 -3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.591 2.141 -0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.090 2.887 -1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.169 0.131 -1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -21.770 0.799 -2.089 1.00 0.00 H new ATOM 339 N ILE A 25 -17.654 0.223 -4.459 1.00 0.00 N ATOM 340 CA ILE A 25 -16.461 -0.574 -4.347 1.00 0.00 C ATOM 341 C ILE A 25 -15.247 0.221 -3.881 1.00 0.00 C ATOM 342 O ILE A 25 -15.354 1.398 -3.548 1.00 0.00 O ATOM 343 CB ILE A 25 -16.190 -1.231 -5.691 1.00 0.00 C ATOM 344 CG1 ILE A 25 -17.315 -2.199 -5.964 1.00 0.00 C ATOM 345 CG2 ILE A 25 -14.868 -1.961 -5.651 1.00 0.00 C ATOM 346 CD1 ILE A 25 -17.576 -3.072 -4.766 1.00 0.00 C ATOM 0 H ILE A 25 -18.241 -0.024 -5.256 1.00 0.00 H new ATOM 0 HA ILE A 25 -16.632 -1.328 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 25 -16.137 -0.481 -6.481 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -18.220 -1.648 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -17.065 -2.820 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.681 -2.429 -6.618 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.068 -1.254 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.899 -2.728 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -18.391 -3.761 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -16.677 -3.639 -4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -17.850 -2.449 -3.914 1.00 0.00 H new ATOM 358 N LEU A 26 -14.100 -0.459 -3.787 1.00 0.00 N ATOM 359 CA LEU A 26 -12.888 0.153 -3.273 1.00 0.00 C ATOM 360 C LEU A 26 -11.622 -0.387 -3.871 1.00 0.00 C ATOM 361 O LEU A 26 -11.604 -1.028 -4.918 1.00 0.00 O ATOM 362 CB LEU A 26 -12.857 -0.133 -1.798 1.00 0.00 C ATOM 363 CG LEU A 26 -14.202 -0.562 -1.285 1.00 0.00 C ATOM 364 CD1 LEU A 26 -14.074 -1.686 -0.284 1.00 0.00 C ATOM 365 CD2 LEU A 26 -14.965 0.617 -0.709 1.00 0.00 C ATOM 0 H LEU A 26 -13.994 -1.435 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.920 1.213 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.124 -0.914 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.531 0.758 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.777 -0.945 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.064 -1.974 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.594 -2.542 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.471 -1.354 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.935 0.279 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.398 1.050 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.110 1.370 -1.484 1.00 0.00 H new ATOM 377 N GLN A 27 -10.562 -0.105 -3.145 1.00 0.00 N ATOM 378 CA GLN A 27 -9.225 -0.538 -3.518 1.00 0.00 C ATOM 379 C GLN A 27 -8.166 0.264 -2.766 1.00 0.00 C ATOM 380 O GLN A 27 -7.621 1.238 -3.284 1.00 0.00 O ATOM 381 CB GLN A 27 -9.040 -0.412 -5.027 1.00 0.00 C ATOM 382 CG GLN A 27 -7.586 -0.397 -5.471 1.00 0.00 C ATOM 383 CD GLN A 27 -7.075 1.001 -5.762 1.00 0.00 C ATOM 384 OE1 GLN A 27 -7.849 1.955 -5.836 1.00 0.00 O ATOM 385 NE2 GLN A 27 -5.764 1.128 -5.931 1.00 0.00 N ATOM 0 H GLN A 27 -10.599 0.431 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.104 -1.585 -3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.550 -1.242 -5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.523 0.504 -5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.969 -0.850 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.477 -1.012 -6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.159 0.310 -5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.362 2.044 -6.131 1.00 0.00 H new ATOM 394 N CYS A 28 -7.899 -0.157 -1.531 1.00 0.00 N ATOM 395 CA CYS A 28 -6.921 0.507 -0.672 1.00 0.00 C ATOM 396 C CYS A 28 -5.886 1.258 -1.499 1.00 0.00 C ATOM 397 O CYS A 28 -5.113 0.649 -2.238 1.00 0.00 O ATOM 398 CB CYS A 28 -6.216 -0.502 0.240 1.00 0.00 C ATOM 399 SG CYS A 28 -6.032 0.067 1.963 1.00 0.00 S ATOM 0 H CYS A 28 -8.352 -0.963 -1.100 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.464 1.222 -0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.776 -1.437 0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.229 -0.719 -0.168 1.00 0.00 H new ATOM 404 N MET A 29 -5.870 2.581 -1.377 1.00 0.00 N ATOM 405 CA MET A 29 -4.917 3.389 -2.131 1.00 0.00 C ATOM 406 C MET A 29 -4.363 4.533 -1.288 1.00 0.00 C ATOM 407 O MET A 29 -4.960 5.606 -1.204 1.00 0.00 O ATOM 408 CB MET A 29 -5.571 3.936 -3.401 1.00 0.00 C ATOM 409 CG MET A 29 -4.677 4.879 -4.190 1.00 0.00 C ATOM 410 SD MET A 29 -4.547 4.420 -5.929 1.00 0.00 S ATOM 411 CE MET A 29 -2.908 5.026 -6.321 1.00 0.00 C ATOM 0 H MET A 29 -6.497 3.111 -0.772 1.00 0.00 H new ATOM 0 HA MET A 29 -4.083 2.745 -2.409 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.858 3.101 -4.040 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.488 4.460 -3.131 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.069 5.893 -4.114 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.682 4.888 -3.745 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.682 4.815 -7.366 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.868 6.102 -6.151 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.175 4.530 -5.685 1.00 0.00 H new ATOM 421 N GLY A 30 -3.211 4.292 -0.670 1.00 0.00 N ATOM 422 CA GLY A 30 -2.581 5.303 0.157 1.00 0.00 C ATOM 423 C GLY A 30 -1.121 4.997 0.419 1.00 0.00 C ATOM 424 O GLY A 30 -0.471 4.321 -0.379 1.00 0.00 O ATOM 0 H GLY A 30 -2.701 3.410 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.665 6.274 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.112 5.376 1.106 1.00 0.00 H new ATOM 428 N CYS A 31 -0.599 5.496 1.534 1.00 0.00 N ATOM 429 CA CYS A 31 0.797 5.268 1.886 1.00 0.00 C ATOM 430 C CYS A 31 0.991 5.245 3.398 1.00 0.00 C ATOM 431 O CYS A 31 0.272 5.916 4.138 1.00 0.00 O ATOM 432 CB CYS A 31 1.680 6.353 1.267 1.00 0.00 C ATOM 433 SG CYS A 31 1.811 7.867 2.274 1.00 0.00 S ATOM 0 H CYS A 31 -1.119 6.059 2.207 1.00 0.00 H new ATOM 0 HA CYS A 31 1.087 4.295 1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.679 5.947 1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.283 6.615 0.286 1.00 0.00 H new ATOM 438 N CYS A 32 1.974 4.471 3.849 1.00 0.00 N ATOM 439 CA CYS A 32 2.271 4.362 5.272 1.00 0.00 C ATOM 440 C CYS A 32 3.407 5.304 5.660 1.00 0.00 C ATOM 441 O CYS A 32 4.207 4.999 6.544 1.00 0.00 O ATOM 442 CB CYS A 32 2.642 2.922 5.630 1.00 0.00 C ATOM 443 SG CYS A 32 1.748 2.261 7.074 1.00 0.00 S ATOM 0 H CYS A 32 2.578 3.910 3.248 1.00 0.00 H new ATOM 0 HA CYS A 32 1.378 4.646 5.828 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.444 2.283 4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.713 2.872 5.825 1.00 0.00 H new ATOM 448 N PHE A 33 3.470 6.451 4.991 1.00 0.00 N ATOM 449 CA PHE A 33 4.505 7.442 5.265 1.00 0.00 C ATOM 450 C PHE A 33 5.899 6.854 5.064 1.00 0.00 C ATOM 451 O PHE A 33 6.652 6.675 6.021 1.00 0.00 O ATOM 452 CB PHE A 33 4.364 7.974 6.692 1.00 0.00 C ATOM 453 CG PHE A 33 3.233 8.950 6.857 1.00 0.00 C ATOM 454 CD1 PHE A 33 1.934 8.501 7.031 1.00 0.00 C ATOM 455 CD2 PHE A 33 3.470 10.315 6.837 1.00 0.00 C ATOM 456 CE1 PHE A 33 0.892 9.396 7.183 1.00 0.00 C ATOM 457 CE2 PHE A 33 2.432 11.215 6.989 1.00 0.00 C ATOM 458 CZ PHE A 33 1.141 10.754 7.162 1.00 0.00 C ATOM 0 H PHE A 33 2.816 6.717 4.255 1.00 0.00 H new ATOM 0 HA PHE A 33 4.377 8.264 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.212 7.135 7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.296 8.457 6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.733 7.440 7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.477 10.680 6.701 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.116 9.034 7.318 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.630 12.277 6.973 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.328 11.455 7.281 1.00 0.00 H new ATOM 468 N SER A 34 6.236 6.561 3.812 1.00 0.00 N ATOM 469 CA SER A 34 7.539 5.997 3.477 1.00 0.00 C ATOM 470 C SER A 34 7.484 5.280 2.132 1.00 0.00 C ATOM 471 O SER A 34 6.782 4.281 1.982 1.00 0.00 O ATOM 472 CB SER A 34 7.998 5.024 4.566 1.00 0.00 C ATOM 473 OG SER A 34 6.894 4.502 5.284 1.00 0.00 O ATOM 0 H SER A 34 5.622 6.705 3.010 1.00 0.00 H new ATOM 0 HA SER A 34 8.256 6.816 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.561 4.207 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.673 5.534 5.253 1.00 0.00 H new ATOM 0 HG SER A 34 6.796 4.986 6.131 1.00 0.00 H new ATOM 479 N ARG A 35 8.225 5.796 1.154 1.00 0.00 N ATOM 480 CA ARG A 35 8.248 5.196 -0.176 1.00 0.00 C ATOM 481 C ARG A 35 8.894 6.131 -1.195 1.00 0.00 C ATOM 482 O ARG A 35 8.729 7.350 -1.128 1.00 0.00 O ATOM 483 CB ARG A 35 6.824 4.846 -0.618 1.00 0.00 C ATOM 484 CG ARG A 35 6.693 4.577 -2.107 1.00 0.00 C ATOM 485 CD ARG A 35 5.408 3.830 -2.424 1.00 0.00 C ATOM 486 NE ARG A 35 4.258 4.729 -2.508 1.00 0.00 N ATOM 487 CZ ARG A 35 3.516 4.890 -3.602 1.00 0.00 C ATOM 488 NH1 ARG A 35 3.793 4.212 -4.709 1.00 0.00 N ATOM 489 NH2 ARG A 35 2.490 5.730 -3.587 1.00 0.00 N ATOM 0 H ARG A 35 8.813 6.623 1.257 1.00 0.00 H new ATOM 0 HA ARG A 35 8.846 4.286 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.489 3.966 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.158 5.665 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.711 5.521 -2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.548 3.995 -2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.522 3.298 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.226 3.079 -1.655 1.00 0.00 H new ATOM 0 HE ARG A 35 4.009 5.266 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.579 3.562 -4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.220 4.341 -5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.270 6.252 -2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.921 5.855 -4.424 1.00 0.00 H new ATOM 503 N ALA A 36 9.625 5.548 -2.143 1.00 0.00 N ATOM 504 CA ALA A 36 10.293 6.319 -3.188 1.00 0.00 C ATOM 505 C ALA A 36 11.499 7.082 -2.645 1.00 0.00 C ATOM 506 O ALA A 36 11.965 6.820 -1.536 1.00 0.00 O ATOM 507 CB ALA A 36 9.308 7.276 -3.843 1.00 0.00 C ATOM 0 H ALA A 36 9.770 4.540 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 36 10.661 5.617 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.817 7.846 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.489 6.709 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.911 7.960 -3.093 1.00 0.00 H new ATOM 513 N TYR A 37 12.000 8.024 -3.444 1.00 0.00 N ATOM 514 CA TYR A 37 13.155 8.833 -3.064 1.00 0.00 C ATOM 515 C TYR A 37 14.450 8.036 -3.195 1.00 0.00 C ATOM 516 O TYR A 37 14.701 7.102 -2.434 1.00 0.00 O ATOM 517 CB TYR A 37 12.997 9.362 -1.636 1.00 0.00 C ATOM 518 CG TYR A 37 12.491 10.786 -1.579 1.00 0.00 C ATOM 519 CD1 TYR A 37 11.798 11.337 -2.650 1.00 0.00 C ATOM 520 CD2 TYR A 37 12.705 11.579 -0.459 1.00 0.00 C ATOM 521 CE1 TYR A 37 11.333 12.638 -2.607 1.00 0.00 C ATOM 522 CE2 TYR A 37 12.243 12.881 -0.408 1.00 0.00 C ATOM 523 CZ TYR A 37 11.558 13.405 -1.484 1.00 0.00 C ATOM 524 OH TYR A 37 11.098 14.701 -1.436 1.00 0.00 O ATOM 0 H TYR A 37 11.620 8.246 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 37 13.208 9.682 -3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.308 8.717 -1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 37 13.959 9.305 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.620 10.738 -3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 37 13.241 11.172 0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.797 13.051 -3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.418 13.485 0.470 1.00 0.00 H new ATOM 0 HH TYR A 37 11.339 15.102 -0.575 1.00 0.00 H new ATOM 534 N PRO A 38 15.284 8.396 -4.185 1.00 0.00 N ATOM 535 CA PRO A 38 16.553 7.723 -4.447 1.00 0.00 C ATOM 536 C PRO A 38 17.717 8.333 -3.691 1.00 0.00 C ATOM 537 O PRO A 38 18.852 7.865 -3.776 1.00 0.00 O ATOM 538 CB PRO A 38 16.727 7.942 -5.939 1.00 0.00 C ATOM 539 CG PRO A 38 16.097 9.272 -6.207 1.00 0.00 C ATOM 540 CD PRO A 38 15.044 9.486 -5.144 1.00 0.00 C ATOM 0 HA PRO A 38 16.539 6.680 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.780 7.940 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.243 7.152 -6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.844 10.066 -6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.651 9.294 -7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.145 10.463 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.038 9.437 -5.562 1.00 0.00 H new ATOM 548 N THR A 39 17.417 9.384 -2.967 1.00 0.00 N ATOM 549 CA THR A 39 18.422 10.097 -2.186 1.00 0.00 C ATOM 550 C THR A 39 18.439 9.690 -0.704 1.00 0.00 C ATOM 551 O THR A 39 19.130 10.324 0.094 1.00 0.00 O ATOM 552 CB THR A 39 18.195 11.606 -2.298 1.00 0.00 C ATOM 553 OG1 THR A 39 17.782 11.955 -3.609 1.00 0.00 O ATOM 554 CG2 THR A 39 19.428 12.421 -1.967 1.00 0.00 C ATOM 0 H THR A 39 16.477 9.774 -2.897 1.00 0.00 H new ATOM 0 HA THR A 39 19.391 9.824 -2.603 1.00 0.00 H new ATOM 0 HB THR A 39 17.420 11.839 -1.568 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.640 12.923 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 39 19.200 13.482 -2.066 1.00 0.00 H new ATOM 0 HG22 THR A 39 19.740 12.210 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 39 20.233 12.158 -2.653 1.00 0.00 H new ATOM 562 N PRO A 40 17.696 8.640 -0.296 1.00 0.00 N ATOM 563 CA PRO A 40 17.673 8.204 1.101 1.00 0.00 C ATOM 564 C PRO A 40 18.944 7.463 1.507 1.00 0.00 C ATOM 565 O PRO A 40 19.186 7.237 2.692 1.00 0.00 O ATOM 566 CB PRO A 40 16.469 7.255 1.187 1.00 0.00 C ATOM 567 CG PRO A 40 15.817 7.277 -0.157 1.00 0.00 C ATOM 568 CD PRO A 40 16.830 7.805 -1.133 1.00 0.00 C ATOM 0 HA PRO A 40 17.605 9.060 1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.788 6.246 1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.774 7.579 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.492 6.277 -0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.929 7.909 -0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 40 17.387 6.999 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.360 8.383 -1.929 1.00 0.00 H new ATOM 576 N LEU A 41 19.751 7.078 0.522 1.00 0.00 N ATOM 577 CA LEU A 41 20.988 6.354 0.797 1.00 0.00 C ATOM 578 C LEU A 41 21.985 6.503 -0.347 1.00 0.00 C ATOM 579 O LEU A 41 21.707 7.160 -1.349 1.00 0.00 O ATOM 580 CB LEU A 41 20.690 4.873 1.031 1.00 0.00 C ATOM 581 CG LEU A 41 19.336 4.400 0.501 1.00 0.00 C ATOM 582 CD1 LEU A 41 19.211 4.705 -0.984 1.00 0.00 C ATOM 583 CD2 LEU A 41 19.148 2.912 0.761 1.00 0.00 C ATOM 0 H LEU A 41 19.572 7.254 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 41 21.432 6.783 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 41 21.475 4.280 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 41 20.736 4.672 2.101 1.00 0.00 H new ATOM 0 HG LEU A 41 18.551 4.940 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.242 4.362 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 41 19.298 5.780 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 41 20.004 4.192 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 41 18.179 2.595 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.938 2.352 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 41 19.193 2.721 1.833 1.00 0.00 H new ATOM 595 N ARG A 42 23.149 5.881 -0.186 1.00 0.00 N ATOM 596 CA ARG A 42 24.196 5.933 -1.199 1.00 0.00 C ATOM 597 C ARG A 42 25.193 4.798 -1.000 1.00 0.00 C ATOM 598 O ARG A 42 26.383 4.951 -1.274 1.00 0.00 O ATOM 599 CB ARG A 42 24.923 7.276 -1.147 1.00 0.00 C ATOM 600 CG ARG A 42 25.112 7.811 0.262 1.00 0.00 C ATOM 601 CD ARG A 42 26.354 8.684 0.373 1.00 0.00 C ATOM 602 NE ARG A 42 26.724 9.291 -0.904 1.00 0.00 N ATOM 603 CZ ARG A 42 27.658 10.229 -1.030 1.00 0.00 C ATOM 604 NH1 ARG A 42 28.308 10.667 0.039 1.00 0.00 N ATOM 605 NH2 ARG A 42 27.942 10.728 -2.224 1.00 0.00 N ATOM 0 H ARG A 42 23.391 5.333 0.640 1.00 0.00 H new ATOM 0 HA ARG A 42 23.727 5.821 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 42 25.899 7.170 -1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 42 24.363 8.006 -1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 42 24.234 8.389 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 42 25.190 6.977 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.178 9.469 1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 42 27.186 8.083 0.741 1.00 0.00 H new ATOM 0 HE ARG A 42 26.239 8.978 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 42 28.092 10.284 0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.024 11.387 -0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 42 27.444 10.393 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 42 28.659 11.447 -2.319 1.00 0.00 H new ATOM 619 N SER A 43 24.697 3.662 -0.517 1.00 0.00 N ATOM 620 CA SER A 43 25.539 2.495 -0.275 1.00 0.00 C ATOM 621 C SER A 43 26.091 2.506 1.147 1.00 0.00 C ATOM 622 O SER A 43 27.204 2.976 1.386 1.00 0.00 O ATOM 623 CB SER A 43 26.693 2.449 -1.278 1.00 0.00 C ATOM 624 OG SER A 43 27.321 1.179 -1.277 1.00 0.00 O ATOM 0 H SER A 43 23.713 3.525 -0.285 1.00 0.00 H new ATOM 0 HA SER A 43 24.922 1.606 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 43 26.319 2.672 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 43 27.424 3.219 -1.032 1.00 0.00 H new ATOM 0 HG SER A 43 28.054 1.176 -1.928 1.00 0.00 H new ATOM 630 N LYS A 44 25.310 1.982 2.088 1.00 0.00 N ATOM 631 CA LYS A 44 25.730 1.929 3.485 1.00 0.00 C ATOM 632 C LYS A 44 25.624 0.508 4.034 1.00 0.00 C ATOM 633 O LYS A 44 26.420 0.099 4.879 1.00 0.00 O ATOM 634 CB LYS A 44 24.893 2.885 4.339 1.00 0.00 C ATOM 635 CG LYS A 44 23.395 2.750 4.124 1.00 0.00 C ATOM 636 CD LYS A 44 22.614 3.301 5.307 1.00 0.00 C ATOM 637 CE LYS A 44 21.265 2.615 5.454 1.00 0.00 C ATOM 638 NZ LYS A 44 20.488 3.161 6.601 1.00 0.00 N ATOM 0 H LYS A 44 24.386 1.589 1.909 1.00 0.00 H new ATOM 0 HA LYS A 44 26.774 2.240 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 44 25.117 2.708 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 44 25.191 3.910 4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.107 3.281 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.140 1.701 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.193 3.166 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.466 4.373 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.692 2.739 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.415 1.544 5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.575 2.668 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 21.023 3.020 7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.323 4.177 6.456 1.00 0.00 H new ATOM 652 N LYS A 45 24.638 -0.242 3.548 1.00 0.00 N ATOM 653 CA LYS A 45 24.432 -1.618 3.992 1.00 0.00 C ATOM 654 C LYS A 45 24.312 -2.560 2.793 1.00 0.00 C ATOM 655 O LYS A 45 25.280 -2.767 2.062 1.00 0.00 O ATOM 656 CB LYS A 45 23.183 -1.710 4.872 1.00 0.00 C ATOM 657 CG LYS A 45 21.997 -0.927 4.330 1.00 0.00 C ATOM 658 CD LYS A 45 20.761 -1.127 5.191 1.00 0.00 C ATOM 659 CE LYS A 45 19.787 -2.103 4.548 1.00 0.00 C ATOM 660 NZ LYS A 45 19.117 -2.967 5.559 1.00 0.00 N ATOM 0 H LYS A 45 23.970 0.079 2.847 1.00 0.00 H new ATOM 0 HA LYS A 45 25.297 -1.924 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 45 22.899 -2.757 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 45 23.424 -1.344 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.247 0.133 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 45 21.786 -1.244 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.056 -1.499 6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.267 -0.168 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 45 19.034 -1.548 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 45 20.320 -2.729 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.462 -3.617 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.833 -3.516 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.587 -2.372 6.228 1.00 0.00 H new ATOM 674 N THR A 46 23.125 -3.128 2.590 1.00 0.00 N ATOM 675 CA THR A 46 22.900 -4.039 1.473 1.00 0.00 C ATOM 676 C THR A 46 22.384 -3.279 0.255 1.00 0.00 C ATOM 677 O THR A 46 22.468 -2.052 0.198 1.00 0.00 O ATOM 678 CB THR A 46 21.907 -5.134 1.869 1.00 0.00 C ATOM 679 OG1 THR A 46 21.418 -4.919 3.180 1.00 0.00 O ATOM 680 CG2 THR A 46 22.502 -6.524 1.823 1.00 0.00 C ATOM 0 H THR A 46 22.309 -2.974 3.182 1.00 0.00 H new ATOM 0 HA THR A 46 23.851 -4.504 1.215 1.00 0.00 H new ATOM 0 HB THR A 46 21.104 -5.075 1.135 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.784 -5.629 3.413 1.00 0.00 H new ATOM 0 HG21 THR A 46 21.746 -7.253 2.115 1.00 0.00 H new ATOM 0 HG22 THR A 46 22.843 -6.740 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 46 23.346 -6.581 2.510 1.00 0.00 H new ATOM 688 N MET A 47 21.850 -4.013 -0.716 1.00 0.00 N ATOM 689 CA MET A 47 21.321 -3.402 -1.933 1.00 0.00 C ATOM 690 C MET A 47 22.430 -3.183 -2.960 1.00 0.00 C ATOM 691 O MET A 47 23.454 -2.571 -2.658 1.00 0.00 O ATOM 692 CB MET A 47 20.644 -2.069 -1.605 1.00 0.00 C ATOM 693 CG MET A 47 19.727 -1.566 -2.707 1.00 0.00 C ATOM 694 SD MET A 47 20.011 0.169 -3.112 1.00 0.00 S ATOM 695 CE MET A 47 21.789 0.182 -3.333 1.00 0.00 C ATOM 0 H MET A 47 21.772 -5.030 -0.685 1.00 0.00 H new ATOM 0 HA MET A 47 20.584 -4.082 -2.361 1.00 0.00 H new ATOM 0 HB2 MET A 47 20.068 -2.180 -0.686 1.00 0.00 H new ATOM 0 HB3 MET A 47 21.411 -1.319 -1.411 1.00 0.00 H new ATOM 0 HG2 MET A 47 19.874 -2.172 -3.601 1.00 0.00 H new ATOM 0 HG3 MET A 47 18.690 -1.698 -2.399 1.00 0.00 H new ATOM 0 HE1 MET A 47 22.055 0.912 -4.098 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.271 0.450 -2.393 1.00 0.00 H new ATOM 0 HE3 MET A 47 22.124 -0.808 -3.643 1.00 0.00 H new ATOM 705 N LEU A 48 22.221 -3.686 -4.174 1.00 0.00 N ATOM 706 CA LEU A 48 23.208 -3.541 -5.238 1.00 0.00 C ATOM 707 C LEU A 48 22.599 -2.870 -6.466 1.00 0.00 C ATOM 708 O LEU A 48 22.528 -3.467 -7.540 1.00 0.00 O ATOM 709 CB LEU A 48 23.783 -4.905 -5.622 1.00 0.00 C ATOM 710 CG LEU A 48 25.310 -4.989 -5.609 1.00 0.00 C ATOM 711 CD1 LEU A 48 25.917 -3.762 -6.272 1.00 0.00 C ATOM 712 CD2 LEU A 48 25.821 -5.133 -4.183 1.00 0.00 C ATOM 0 H LEU A 48 21.380 -4.196 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 48 24.012 -2.907 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.387 -5.655 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.428 -5.164 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 48 25.613 -5.870 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 48 27.004 -3.839 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.575 -3.700 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.607 -2.867 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 48 26.909 -5.192 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.508 -4.270 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.412 -6.041 -3.740 1.00 0.00 H new ATOM 724 N VAL A 49 22.164 -1.625 -6.299 1.00 0.00 N ATOM 725 CA VAL A 49 21.563 -0.868 -7.393 1.00 0.00 C ATOM 726 C VAL A 49 20.603 -1.731 -8.205 1.00 0.00 C ATOM 727 O VAL A 49 20.296 -2.861 -7.826 1.00 0.00 O ATOM 728 CB VAL A 49 22.633 -0.292 -8.341 1.00 0.00 C ATOM 729 CG1 VAL A 49 22.390 1.190 -8.582 1.00 0.00 C ATOM 730 CG2 VAL A 49 24.030 -0.527 -7.785 1.00 0.00 C ATOM 0 H VAL A 49 22.216 -1.118 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 49 21.013 -0.047 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 49 22.559 -0.811 -9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 49 23.155 1.580 -9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 49 21.407 1.329 -9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 49 22.433 1.725 -7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 49 24.769 -0.112 -8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.122 -0.040 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.201 -1.597 -7.671 1.00 0.00 H new ATOM 740 N GLN A 50 20.134 -1.189 -9.327 1.00 0.00 N ATOM 741 CA GLN A 50 19.210 -1.906 -10.200 1.00 0.00 C ATOM 742 C GLN A 50 17.772 -1.778 -9.702 1.00 0.00 C ATOM 743 O GLN A 50 17.525 -1.720 -8.498 1.00 0.00 O ATOM 744 CB GLN A 50 19.610 -3.380 -10.294 1.00 0.00 C ATOM 745 CG GLN A 50 21.094 -3.587 -10.554 1.00 0.00 C ATOM 746 CD GLN A 50 21.624 -2.690 -11.657 1.00 0.00 C ATOM 747 OE1 GLN A 50 22.779 -2.266 -11.628 1.00 0.00 O ATOM 748 NE2 GLN A 50 20.779 -2.396 -12.638 1.00 0.00 N ATOM 0 H GLN A 50 20.380 -0.254 -9.652 1.00 0.00 H new ATOM 0 HA GLN A 50 19.264 -1.459 -11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.338 -3.883 -9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 50 19.039 -3.854 -11.093 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.650 -3.395 -9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.270 -4.629 -10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.830 -2.769 -12.623 1.00 0.00 H new ATOM 0 HE22 GLN A 50 21.079 -1.797 -13.407 1.00 0.00 H new ATOM 757 N LYS A 51 16.826 -1.730 -10.639 1.00 0.00 N ATOM 758 CA LYS A 51 15.412 -1.604 -10.296 1.00 0.00 C ATOM 759 C LYS A 51 15.225 -0.701 -9.080 1.00 0.00 C ATOM 760 O LYS A 51 16.057 0.163 -8.803 1.00 0.00 O ATOM 761 CB LYS A 51 14.803 -2.982 -10.025 1.00 0.00 C ATOM 762 CG LYS A 51 15.345 -3.651 -8.772 1.00 0.00 C ATOM 763 CD LYS A 51 14.626 -4.959 -8.474 1.00 0.00 C ATOM 764 CE LYS A 51 14.143 -5.639 -9.745 1.00 0.00 C ATOM 765 NZ LYS A 51 13.353 -6.868 -9.453 1.00 0.00 N ATOM 0 H LYS A 51 17.014 -1.776 -11.640 1.00 0.00 H new ATOM 0 HA LYS A 51 14.898 -1.151 -11.144 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.722 -2.881 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.991 -3.628 -10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.411 -3.842 -8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.237 -2.975 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.297 -5.628 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.776 -4.766 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.532 -4.943 -10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.000 -5.898 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.042 -7.301 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.944 -7.544 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.521 -6.618 -8.882 1.00 0.00 H new ATOM 779 N ASN A 52 14.128 -0.906 -8.358 1.00 0.00 N ATOM 780 CA ASN A 52 13.834 -0.109 -7.171 1.00 0.00 C ATOM 781 C ASN A 52 14.912 -0.295 -6.108 1.00 0.00 C ATOM 782 O ASN A 52 15.768 -1.172 -6.226 1.00 0.00 O ATOM 783 CB ASN A 52 12.470 -0.501 -6.600 1.00 0.00 C ATOM 784 CG ASN A 52 12.457 -1.925 -6.082 1.00 0.00 C ATOM 785 OD1 ASN A 52 13.485 -2.441 -5.643 1.00 0.00 O ATOM 786 ND2 ASN A 52 11.290 -2.564 -6.132 1.00 0.00 N ATOM 0 H ASN A 52 13.428 -1.616 -8.573 1.00 0.00 H new ATOM 0 HA ASN A 52 13.815 0.941 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.206 0.181 -5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.709 -0.390 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.466 -2.093 -6.505 1.00 0.00 H new ATOM 791 N VAL A 53 14.864 0.533 -5.069 1.00 0.00 N ATOM 792 CA VAL A 53 15.835 0.455 -3.984 1.00 0.00 C ATOM 793 C VAL A 53 15.180 0.743 -2.637 1.00 0.00 C ATOM 794 O VAL A 53 13.963 0.903 -2.550 1.00 0.00 O ATOM 795 CB VAL A 53 16.998 1.444 -4.191 1.00 0.00 C ATOM 796 CG1 VAL A 53 17.752 1.129 -5.473 1.00 0.00 C ATOM 797 CG2 VAL A 53 16.483 2.874 -4.202 1.00 0.00 C ATOM 0 H VAL A 53 14.163 1.265 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 53 16.227 -0.562 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 53 17.693 1.337 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 53 18.569 1.840 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.156 0.118 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.073 1.203 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.317 3.560 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 53 15.765 2.996 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.997 3.093 -3.251 1.00 0.00 H new ATOM 807 N THR A 54 16.000 0.813 -1.592 1.00 0.00 N ATOM 808 CA THR A 54 15.510 1.089 -0.245 1.00 0.00 C ATOM 809 C THR A 54 14.094 0.552 -0.051 1.00 0.00 C ATOM 810 O THR A 54 13.115 1.267 -0.262 1.00 0.00 O ATOM 811 CB THR A 54 15.542 2.593 0.029 1.00 0.00 C ATOM 812 OG1 THR A 54 15.032 2.880 1.319 1.00 0.00 O ATOM 813 CG2 THR A 54 14.744 3.403 -0.970 1.00 0.00 C ATOM 0 H THR A 54 17.010 0.682 -1.653 1.00 0.00 H new ATOM 0 HA THR A 54 16.165 0.581 0.463 1.00 0.00 H new ATOM 0 HB THR A 54 16.591 2.877 -0.054 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.063 3.847 1.475 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.810 4.461 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.146 3.244 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.701 3.088 -0.944 1.00 0.00 H new ATOM 821 N SER A 55 13.994 -0.711 0.350 1.00 0.00 N ATOM 822 CA SER A 55 12.697 -1.342 0.572 1.00 0.00 C ATOM 823 C SER A 55 11.784 -0.433 1.390 1.00 0.00 C ATOM 824 O SER A 55 12.217 0.598 1.903 1.00 0.00 O ATOM 825 CB SER A 55 12.873 -2.684 1.284 1.00 0.00 C ATOM 826 OG SER A 55 13.981 -2.653 2.166 1.00 0.00 O ATOM 0 H SER A 55 14.794 -1.318 0.528 1.00 0.00 H new ATOM 0 HA SER A 55 12.233 -1.514 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.968 -2.925 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.013 -3.474 0.547 1.00 0.00 H new ATOM 0 HG SER A 55 14.070 -3.522 2.610 1.00 0.00 H new ATOM 832 N GLU A 56 10.518 -0.821 1.506 1.00 0.00 N ATOM 833 CA GLU A 56 9.545 -0.040 2.261 1.00 0.00 C ATOM 834 C GLU A 56 9.217 -0.715 3.590 1.00 0.00 C ATOM 835 O GLU A 56 9.295 -1.938 3.714 1.00 0.00 O ATOM 836 CB GLU A 56 8.268 0.156 1.437 1.00 0.00 C ATOM 837 CG GLU A 56 6.988 -0.154 2.199 1.00 0.00 C ATOM 838 CD GLU A 56 5.744 0.013 1.348 1.00 0.00 C ATOM 839 OE1 GLU A 56 5.872 0.466 0.191 1.00 0.00 O ATOM 840 OE2 GLU A 56 4.642 -0.311 1.839 1.00 0.00 O ATOM 0 H GLU A 56 10.142 -1.671 1.087 1.00 0.00 H new ATOM 0 HA GLU A 56 9.982 0.936 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.229 1.187 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.316 -0.481 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.032 -1.177 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.920 0.501 3.067 1.00 0.00 H new ATOM 847 N SER A 57 8.847 0.091 4.578 1.00 0.00 N ATOM 848 CA SER A 57 8.503 -0.422 5.899 1.00 0.00 C ATOM 849 C SER A 57 6.991 -0.413 6.103 1.00 0.00 C ATOM 850 O SER A 57 6.301 0.502 5.653 1.00 0.00 O ATOM 851 CB SER A 57 9.182 0.411 6.986 1.00 0.00 C ATOM 852 OG SER A 57 8.286 0.696 8.046 1.00 0.00 O ATOM 0 H SER A 57 8.777 1.105 4.489 1.00 0.00 H new ATOM 0 HA SER A 57 8.857 -1.450 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.048 -0.127 7.372 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.551 1.343 6.557 1.00 0.00 H new ATOM 0 HG SER A 57 8.745 1.228 8.729 1.00 0.00 H new ATOM 858 N THR A 58 6.480 -1.438 6.778 1.00 0.00 N ATOM 859 CA THR A 58 5.047 -1.543 7.032 1.00 0.00 C ATOM 860 C THR A 58 4.269 -1.525 5.722 1.00 0.00 C ATOM 861 O THR A 58 4.608 -0.786 4.798 1.00 0.00 O ATOM 862 CB THR A 58 4.575 -0.398 7.928 1.00 0.00 C ATOM 863 OG1 THR A 58 5.430 0.724 7.804 1.00 0.00 O ATOM 864 CG2 THR A 58 4.513 -0.767 9.394 1.00 0.00 C ATOM 0 H THR A 58 7.034 -2.205 7.158 1.00 0.00 H new ATOM 0 HA THR A 58 4.862 -2.489 7.541 1.00 0.00 H new ATOM 0 HB THR A 58 3.566 -0.166 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.408 1.052 6.881 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.171 0.092 9.971 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.819 -1.596 9.531 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.504 -1.063 9.737 1.00 0.00 H new ATOM 872 N CYS A 59 3.224 -2.340 5.645 1.00 0.00 N ATOM 873 CA CYS A 59 2.406 -2.407 4.441 1.00 0.00 C ATOM 874 C CYS A 59 0.955 -2.714 4.775 1.00 0.00 C ATOM 875 O CYS A 59 0.657 -3.353 5.785 1.00 0.00 O ATOM 876 CB CYS A 59 2.959 -3.459 3.476 1.00 0.00 C ATOM 877 SG CYS A 59 4.267 -4.510 4.187 1.00 0.00 S ATOM 0 H CYS A 59 2.924 -2.960 6.397 1.00 0.00 H new ATOM 0 HA CYS A 59 2.443 -1.430 3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.140 -4.095 3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.353 -2.955 2.593 1.00 0.00 H new ATOM 882 N CYS A 60 0.056 -2.245 3.918 1.00 0.00 N ATOM 883 CA CYS A 60 -1.369 -2.457 4.113 1.00 0.00 C ATOM 884 C CYS A 60 -1.824 -3.759 3.468 1.00 0.00 C ATOM 885 O CYS A 60 -1.019 -4.512 2.919 1.00 0.00 O ATOM 886 CB CYS A 60 -2.159 -1.280 3.538 1.00 0.00 C ATOM 887 SG CYS A 60 -1.620 0.346 4.160 1.00 0.00 S ATOM 0 H CYS A 60 0.292 -1.714 3.080 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.558 -2.526 5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.069 -1.291 2.452 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.215 -1.415 3.771 1.00 0.00 H new ATOM 892 N VAL A 61 -3.121 -4.017 3.550 1.00 0.00 N ATOM 893 CA VAL A 61 -3.706 -5.225 2.988 1.00 0.00 C ATOM 894 C VAL A 61 -5.112 -5.428 3.534 1.00 0.00 C ATOM 895 O VAL A 61 -5.314 -6.201 4.472 1.00 0.00 O ATOM 896 CB VAL A 61 -2.850 -6.468 3.308 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.236 -6.356 4.695 1.00 0.00 C ATOM 898 CG2 VAL A 61 -3.679 -7.739 3.187 1.00 0.00 C ATOM 0 H VAL A 61 -3.793 -3.399 4.005 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.744 -5.101 1.906 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.040 -6.520 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.637 -7.243 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.602 -5.471 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.029 -6.274 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.056 -8.603 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.514 -7.697 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.062 -7.828 2.170 1.00 0.00 H new ATOM 908 N ALA A 62 -6.076 -4.715 2.950 1.00 0.00 N ATOM 909 CA ALA A 62 -7.469 -4.795 3.382 1.00 0.00 C ATOM 910 C ALA A 62 -7.662 -5.846 4.467 1.00 0.00 C ATOM 911 O ALA A 62 -7.617 -7.048 4.203 1.00 0.00 O ATOM 912 CB ALA A 62 -8.385 -5.078 2.202 1.00 0.00 C ATOM 0 H ALA A 62 -5.915 -4.074 2.174 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.734 -3.826 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.417 -5.133 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.291 -4.278 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.105 -6.026 1.743 1.00 0.00 H new ATOM 918 N LYS A 63 -7.894 -5.378 5.686 1.00 0.00 N ATOM 919 CA LYS A 63 -8.118 -6.252 6.820 1.00 0.00 C ATOM 920 C LYS A 63 -9.204 -7.237 6.481 1.00 0.00 C ATOM 921 O LYS A 63 -9.138 -8.421 6.813 1.00 0.00 O ATOM 922 CB LYS A 63 -8.558 -5.421 8.013 1.00 0.00 C ATOM 923 CG LYS A 63 -8.187 -6.025 9.343 1.00 0.00 C ATOM 924 CD LYS A 63 -7.745 -4.944 10.300 1.00 0.00 C ATOM 925 CE LYS A 63 -7.981 -5.335 11.748 1.00 0.00 C ATOM 926 NZ LYS A 63 -8.541 -4.205 12.540 1.00 0.00 N ATOM 0 H LYS A 63 -7.931 -4.384 5.912 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.197 -6.785 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.112 -4.429 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.639 -5.289 7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.040 -6.562 9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.387 -6.753 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.686 -4.737 10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.285 -4.023 10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.665 -6.182 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.042 -5.662 12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.689 -4.510 13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.876 -3.405 12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.450 -3.910 12.129 1.00 0.00 H new ATOM 940 N SER A 64 -10.201 -6.714 5.803 1.00 0.00 N ATOM 941 CA SER A 64 -11.336 -7.501 5.376 1.00 0.00 C ATOM 942 C SER A 64 -11.825 -7.001 4.032 1.00 0.00 C ATOM 943 O SER A 64 -12.179 -5.834 3.884 1.00 0.00 O ATOM 944 CB SER A 64 -12.464 -7.434 6.402 1.00 0.00 C ATOM 945 OG SER A 64 -12.521 -8.619 7.178 1.00 0.00 O ATOM 0 H SER A 64 -10.248 -5.732 5.532 1.00 0.00 H new ATOM 0 HA SER A 64 -11.023 -8.541 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.314 -6.575 7.056 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.415 -7.284 5.891 1.00 0.00 H new ATOM 0 HG SER A 64 -13.251 -8.549 7.828 1.00 0.00 H new ATOM 951 N TYR A 65 -11.828 -7.883 3.054 1.00 0.00 N ATOM 952 CA TYR A 65 -12.259 -7.527 1.714 1.00 0.00 C ATOM 953 C TYR A 65 -13.652 -8.038 1.431 1.00 0.00 C ATOM 954 O TYR A 65 -14.131 -8.973 2.074 1.00 0.00 O ATOM 955 CB TYR A 65 -11.304 -8.110 0.676 1.00 0.00 C ATOM 956 CG TYR A 65 -10.708 -9.441 1.073 1.00 0.00 C ATOM 957 CD1 TYR A 65 -9.688 -9.514 2.010 1.00 0.00 C ATOM 958 CD2 TYR A 65 -11.164 -10.624 0.505 1.00 0.00 C ATOM 959 CE1 TYR A 65 -9.136 -10.728 2.373 1.00 0.00 C ATOM 960 CE2 TYR A 65 -10.618 -11.843 0.861 1.00 0.00 C ATOM 961 CZ TYR A 65 -9.604 -11.890 1.796 1.00 0.00 C ATOM 962 OH TYR A 65 -9.057 -13.101 2.153 1.00 0.00 O ATOM 0 H TYR A 65 -11.536 -8.855 3.160 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.259 -6.439 1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.837 -8.228 -0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.497 -7.399 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.319 -8.606 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.958 -10.591 -0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.342 -10.767 3.105 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.983 -12.754 0.410 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.500 -13.820 1.655 1.00 0.00 H new ATOM 972 N ASN A 66 -14.279 -7.451 0.428 1.00 0.00 N ATOM 973 CA ASN A 66 -15.601 -7.883 0.016 1.00 0.00 C ATOM 974 C ASN A 66 -15.595 -8.019 -1.480 1.00 0.00 C ATOM 975 O ASN A 66 -16.607 -7.868 -2.163 1.00 0.00 O ATOM 976 CB ASN A 66 -16.676 -6.915 0.480 1.00 0.00 C ATOM 977 CG ASN A 66 -17.698 -7.578 1.379 1.00 0.00 C ATOM 978 OD1 ASN A 66 -17.857 -7.203 2.541 1.00 0.00 O ATOM 979 ND2 ASN A 66 -18.396 -8.571 0.843 1.00 0.00 N ATOM 0 H ASN A 66 -13.896 -6.677 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.837 -8.842 0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.210 -6.086 1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.180 -6.492 -0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.099 -9.058 1.399 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.230 -8.847 -0.125 1.00 0.00 H new ATOM 986 N ARG A 67 -14.401 -8.310 -1.944 1.00 0.00 N ATOM 987 CA ARG A 67 -14.104 -8.497 -3.350 1.00 0.00 C ATOM 988 C ARG A 67 -15.364 -8.494 -4.194 1.00 0.00 C ATOM 989 O ARG A 67 -16.297 -9.263 -3.960 1.00 0.00 O ATOM 990 CB ARG A 67 -13.339 -9.797 -3.532 1.00 0.00 C ATOM 991 CG ARG A 67 -12.126 -9.674 -4.434 1.00 0.00 C ATOM 992 CD ARG A 67 -12.115 -10.762 -5.495 1.00 0.00 C ATOM 993 NE ARG A 67 -12.539 -12.053 -4.955 1.00 0.00 N ATOM 994 CZ ARG A 67 -13.145 -12.994 -5.674 1.00 0.00 C ATOM 995 NH1 ARG A 67 -13.399 -12.791 -6.960 1.00 0.00 N ATOM 996 NH2 ARG A 67 -13.503 -14.137 -5.104 1.00 0.00 N ATOM 0 H ARG A 67 -13.587 -8.427 -1.340 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.491 -7.662 -3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.018 -10.158 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.012 -10.549 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.124 -8.695 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.217 -9.737 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.775 -10.477 -6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.112 -10.854 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.360 -12.243 -3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.129 -11.911 -7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.864 -13.515 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.314 -14.295 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.968 -14.858 -5.656 1.00 0.00 H new ATOM 1010 N VAL A 68 -15.374 -7.613 -5.175 1.00 0.00 N ATOM 1011 CA VAL A 68 -16.507 -7.474 -6.074 1.00 0.00 C ATOM 1012 C VAL A 68 -16.053 -7.512 -7.522 1.00 0.00 C ATOM 1013 O VAL A 68 -16.422 -6.653 -8.316 1.00 0.00 O ATOM 1014 CB VAL A 68 -17.266 -6.152 -5.825 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -17.568 -5.961 -4.342 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -16.473 -4.969 -6.365 1.00 0.00 C ATOM 0 H VAL A 68 -14.602 -6.976 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 68 -17.176 -8.311 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.216 -6.206 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.103 -5.022 -4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -18.183 -6.787 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.634 -5.937 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.024 -4.047 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.506 -4.920 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.321 -5.092 -7.437 1.00 0.00 H new ATOM 1026 N THR A 69 -15.246 -8.507 -7.857 1.00 0.00 N ATOM 1027 CA THR A 69 -14.733 -8.649 -9.211 1.00 0.00 C ATOM 1028 C THR A 69 -15.707 -8.066 -10.226 1.00 0.00 C ATOM 1029 O THR A 69 -16.841 -8.526 -10.355 1.00 0.00 O ATOM 1030 CB THR A 69 -14.461 -10.111 -9.551 1.00 0.00 C ATOM 1031 OG1 THR A 69 -13.406 -10.628 -8.754 1.00 0.00 O ATOM 1032 CG2 THR A 69 -14.087 -10.301 -11.004 1.00 0.00 C ATOM 0 H THR A 69 -14.932 -9.229 -7.209 1.00 0.00 H new ATOM 0 HA THR A 69 -13.794 -8.098 -9.259 1.00 0.00 H new ATOM 0 HB THR A 69 -15.389 -10.646 -9.349 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.932 -11.326 -9.252 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.903 -11.358 -11.197 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.902 -9.953 -11.638 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.186 -9.729 -11.225 1.00 0.00 H new ATOM 1040 N VAL A 70 -15.250 -7.052 -10.941 1.00 0.00 N ATOM 1041 CA VAL A 70 -16.070 -6.393 -11.952 1.00 0.00 C ATOM 1042 C VAL A 70 -15.333 -6.279 -13.270 1.00 0.00 C ATOM 1043 O VAL A 70 -14.280 -6.882 -13.471 1.00 0.00 O ATOM 1044 CB VAL A 70 -16.492 -4.974 -11.524 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -17.865 -4.630 -12.083 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -16.484 -4.840 -10.014 1.00 0.00 C ATOM 0 H VAL A 70 -14.312 -6.664 -10.842 1.00 0.00 H new ATOM 0 HA VAL A 70 -16.957 -7.016 -12.067 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.768 -4.269 -11.932 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -18.144 -3.624 -11.769 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.836 -4.676 -13.172 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.599 -5.344 -11.709 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -16.785 -3.830 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.181 -5.558 -9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -15.480 -5.036 -9.637 1.00 0.00 H new ATOM 1056 N MET A 71 -15.906 -5.492 -14.160 1.00 0.00 N ATOM 1057 CA MET A 71 -15.331 -5.268 -15.470 1.00 0.00 C ATOM 1058 C MET A 71 -15.088 -6.580 -16.184 1.00 0.00 C ATOM 1059 O MET A 71 -15.975 -7.429 -16.278 1.00 0.00 O ATOM 1060 CB MET A 71 -14.021 -4.495 -15.356 1.00 0.00 C ATOM 1061 CG MET A 71 -14.202 -3.109 -14.798 1.00 0.00 C ATOM 1062 SD MET A 71 -12.878 -1.987 -15.279 1.00 0.00 S ATOM 1063 CE MET A 71 -12.815 -2.282 -17.044 1.00 0.00 C ATOM 0 H MET A 71 -16.780 -4.992 -13.995 1.00 0.00 H new ATOM 0 HA MET A 71 -16.042 -4.680 -16.050 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.332 -5.050 -14.719 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.559 -4.427 -16.341 1.00 0.00 H new ATOM 0 HG2 MET A 71 -15.156 -2.706 -15.139 1.00 0.00 H new ATOM 0 HG3 MET A 71 -14.250 -3.163 -13.710 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.419 -1.400 -17.546 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.169 -3.136 -17.247 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.819 -2.490 -17.414 1.00 0.00 H new ATOM 1073 N GLY A 72 -13.874 -6.740 -16.678 1.00 0.00 N ATOM 1074 CA GLY A 72 -13.516 -7.945 -17.369 1.00 0.00 C ATOM 1075 C GLY A 72 -12.861 -8.949 -16.444 1.00 0.00 C ATOM 1076 O GLY A 72 -12.164 -9.860 -16.892 1.00 0.00 O ATOM 0 H GLY A 72 -13.128 -6.048 -16.609 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.407 -8.388 -17.814 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.836 -7.707 -18.187 1.00 0.00 H new ATOM 1080 N GLY A 73 -13.084 -8.771 -15.145 1.00 0.00 N ATOM 1081 CA GLY A 73 -12.506 -9.661 -14.158 1.00 0.00 C ATOM 1082 C GLY A 73 -11.580 -8.932 -13.205 1.00 0.00 C ATOM 1083 O GLY A 73 -10.469 -9.389 -12.935 1.00 0.00 O ATOM 0 H GLY A 73 -13.658 -8.022 -14.759 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.304 -10.140 -13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.954 -10.453 -14.664 1.00 0.00 H new ATOM 1087 N PHE A 74 -12.040 -7.792 -12.694 1.00 0.00 N ATOM 1088 CA PHE A 74 -11.250 -6.993 -11.763 1.00 0.00 C ATOM 1089 C PHE A 74 -11.388 -7.526 -10.347 1.00 0.00 C ATOM 1090 O PHE A 74 -12.043 -8.542 -10.120 1.00 0.00 O ATOM 1091 CB PHE A 74 -11.689 -5.529 -11.811 1.00 0.00 C ATOM 1092 CG PHE A 74 -11.145 -4.780 -12.991 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -10.914 -5.430 -14.192 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -10.863 -3.428 -12.898 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -10.412 -4.743 -15.281 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -10.359 -2.736 -13.982 1.00 0.00 C ATOM 1097 CZ PHE A 74 -10.134 -3.394 -15.176 1.00 0.00 C ATOM 0 H PHE A 74 -12.957 -7.401 -12.910 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.204 -7.060 -12.062 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -12.778 -5.485 -11.833 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.368 -5.032 -10.896 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.128 -6.485 -14.278 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.039 -2.908 -11.968 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.237 -5.260 -16.213 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.141 -1.682 -13.896 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.742 -2.855 -16.025 1.00 0.00 H new ATOM 1107 N LYS A 75 -10.766 -6.837 -9.397 1.00 0.00 N ATOM 1108 CA LYS A 75 -10.823 -7.250 -8.001 1.00 0.00 C ATOM 1109 C LYS A 75 -10.477 -6.099 -7.058 1.00 0.00 C ATOM 1110 O LYS A 75 -9.347 -5.611 -7.045 1.00 0.00 O ATOM 1111 CB LYS A 75 -9.868 -8.418 -7.757 1.00 0.00 C ATOM 1112 CG LYS A 75 -10.107 -9.606 -8.674 1.00 0.00 C ATOM 1113 CD LYS A 75 -9.550 -10.884 -8.076 1.00 0.00 C ATOM 1114 CE LYS A 75 -8.449 -11.474 -8.943 1.00 0.00 C ATOM 1115 NZ LYS A 75 -8.954 -11.885 -10.282 1.00 0.00 N ATOM 0 H LYS A 75 -10.219 -5.993 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.846 -7.563 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.843 -8.071 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.965 -8.745 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.176 -9.721 -8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.640 -9.421 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.159 -10.680 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.353 -11.612 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.652 -10.741 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.014 -12.337 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.313 -12.594 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.905 -12.293 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.996 -11.055 -10.907 1.00 0.00 H new ATOM 1129 N VAL A 76 -11.457 -5.689 -6.258 1.00 0.00 N ATOM 1130 CA VAL A 76 -11.269 -4.611 -5.286 1.00 0.00 C ATOM 1131 C VAL A 76 -11.347 -5.160 -3.904 1.00 0.00 C ATOM 1132 O VAL A 76 -11.502 -4.418 -2.934 1.00 0.00 O ATOM 1133 CB VAL A 76 -12.372 -3.539 -5.418 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -12.216 -2.797 -6.737 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -13.713 -4.257 -5.352 1.00 0.00 C ATOM 0 H VAL A 76 -12.396 -6.088 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.294 -4.164 -5.480 1.00 0.00 H new ATOM 0 HB VAL A 76 -12.303 -2.803 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -12.997 -2.042 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.239 -2.314 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.300 -3.503 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.520 -3.530 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.781 -4.977 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.800 -4.779 -4.399 1.00 0.00 H new ATOM 1145 N GLU A 77 -11.277 -6.469 -3.830 1.00 0.00 N ATOM 1146 CA GLU A 77 -11.394 -7.147 -2.550 1.00 0.00 C ATOM 1147 C GLU A 77 -12.244 -6.248 -1.683 1.00 0.00 C ATOM 1148 O GLU A 77 -11.951 -6.010 -0.515 1.00 0.00 O ATOM 1149 CB GLU A 77 -10.012 -7.359 -1.928 1.00 0.00 C ATOM 1150 CG GLU A 77 -9.759 -8.779 -1.463 1.00 0.00 C ATOM 1151 CD GLU A 77 -8.978 -9.595 -2.473 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -8.436 -8.998 -3.427 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -8.907 -10.832 -2.311 1.00 0.00 O ATOM 0 H GLU A 77 -11.141 -7.086 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.844 -8.134 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.250 -7.085 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.899 -6.684 -1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.213 -8.756 -0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.713 -9.268 -1.267 1.00 0.00 H new ATOM 1160 N ASN A 78 -13.258 -5.684 -2.340 1.00 0.00 N ATOM 1161 CA ASN A 78 -14.136 -4.702 -1.744 1.00 0.00 C ATOM 1162 C ASN A 78 -13.747 -4.497 -0.302 1.00 0.00 C ATOM 1163 O ASN A 78 -14.405 -4.967 0.626 1.00 0.00 O ATOM 1164 CB ASN A 78 -15.605 -5.039 -1.871 1.00 0.00 C ATOM 1165 CG ASN A 78 -16.400 -3.801 -1.552 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -16.280 -2.785 -2.235 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -17.206 -3.873 -0.518 1.00 0.00 N ATOM 0 H ASN A 78 -13.487 -5.904 -3.309 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.008 -3.774 -2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -15.830 -5.386 -2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.870 -5.847 -1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -17.272 -4.738 0.018 1.00 0.00 H new ATOM 1172 N HIS A 79 -12.624 -3.830 -0.149 1.00 0.00 N ATOM 1173 CA HIS A 79 -12.041 -3.577 1.143 1.00 0.00 C ATOM 1174 C HIS A 79 -13.027 -3.055 2.159 1.00 0.00 C ATOM 1175 O HIS A 79 -13.503 -1.926 2.089 1.00 0.00 O ATOM 1176 CB HIS A 79 -10.866 -2.629 1.001 1.00 0.00 C ATOM 1177 CG HIS A 79 -9.825 -3.216 0.133 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -8.656 -2.598 -0.213 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -9.832 -4.407 -0.491 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -7.994 -3.416 -1.042 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -8.666 -4.537 -1.241 1.00 0.00 N ATOM 0 H HIS A 79 -12.088 -3.446 -0.927 1.00 0.00 H new ATOM 0 HA HIS A 79 -11.698 -4.538 1.527 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.205 -1.682 0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.447 -2.411 1.983 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.617 -5.145 -0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.037 -3.190 -1.489 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.389 -5.329 -1.821 1.00 0.00 H new ATOM 1189 N THR A 80 -13.286 -3.889 3.132 1.00 0.00 N ATOM 1190 CA THR A 80 -14.171 -3.531 4.223 1.00 0.00 C ATOM 1191 C THR A 80 -13.339 -2.940 5.345 1.00 0.00 C ATOM 1192 O THR A 80 -13.851 -2.271 6.243 1.00 0.00 O ATOM 1193 CB THR A 80 -14.938 -4.753 4.707 1.00 0.00 C ATOM 1194 OG1 THR A 80 -14.269 -5.376 5.790 1.00 0.00 O ATOM 1195 CG2 THR A 80 -15.115 -5.777 3.619 1.00 0.00 C ATOM 0 H THR A 80 -12.896 -4.829 3.196 1.00 0.00 H new ATOM 0 HA THR A 80 -14.900 -2.796 3.883 1.00 0.00 H new ATOM 0 HB THR A 80 -15.917 -4.391 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 80 -14.926 -5.807 6.376 1.00 0.00 H new ATOM 0 HG21 THR A 80 -15.668 -6.631 4.010 1.00 0.00 H new ATOM 0 HG22 THR A 80 -15.668 -5.335 2.790 1.00 0.00 H new ATOM 0 HG23 THR A 80 -14.137 -6.107 3.268 1.00 0.00 H new ATOM 1203 N ALA A 81 -12.035 -3.192 5.265 1.00 0.00 N ATOM 1204 CA ALA A 81 -11.090 -2.689 6.249 1.00 0.00 C ATOM 1205 C ALA A 81 -9.664 -2.850 5.739 1.00 0.00 C ATOM 1206 O ALA A 81 -9.366 -3.794 5.012 1.00 0.00 O ATOM 1207 CB ALA A 81 -11.271 -3.410 7.576 1.00 0.00 C ATOM 0 H ALA A 81 -11.610 -3.746 4.522 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.282 -1.628 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.556 -3.022 8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.285 -3.248 7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.102 -4.478 7.436 1.00 0.00 H new ATOM 1213 N CYS A 82 -8.788 -1.926 6.118 1.00 0.00 N ATOM 1214 CA CYS A 82 -7.393 -1.979 5.692 1.00 0.00 C ATOM 1215 C CYS A 82 -6.465 -1.789 6.886 1.00 0.00 C ATOM 1216 O CYS A 82 -6.750 -0.991 7.779 1.00 0.00 O ATOM 1217 CB CYS A 82 -7.113 -0.912 4.632 1.00 0.00 C ATOM 1218 SG CYS A 82 -6.444 -1.582 3.073 1.00 0.00 S ATOM 0 H CYS A 82 -9.017 -1.133 6.718 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.206 -2.960 5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.037 -0.374 4.419 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.408 -0.187 5.037 1.00 0.00 H new ATOM 1223 N HIS A 83 -5.360 -2.530 6.910 1.00 0.00 N ATOM 1224 CA HIS A 83 -4.412 -2.431 8.016 1.00 0.00 C ATOM 1225 C HIS A 83 -2.963 -2.453 7.534 1.00 0.00 C ATOM 1226 O HIS A 83 -2.541 -3.375 6.836 1.00 0.00 O ATOM 1227 CB HIS A 83 -4.641 -3.569 9.011 1.00 0.00 C ATOM 1228 CG HIS A 83 -4.556 -4.932 8.400 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -4.725 -6.092 9.128 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -4.321 -5.322 7.124 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -4.596 -7.134 8.328 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -4.352 -6.695 7.107 1.00 0.00 N ATOM 0 H HIS A 83 -5.101 -3.199 6.185 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.586 -1.473 8.506 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.905 -3.493 9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -5.623 -3.447 9.469 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.919 -6.137 10.128 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.143 -4.674 6.278 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.676 -8.170 8.622 1.00 0.00 H new ATOM 1241 N CYS A 84 -2.201 -1.438 7.935 1.00 0.00 N ATOM 1242 CA CYS A 84 -0.790 -1.336 7.575 1.00 0.00 C ATOM 1243 C CYS A 84 0.064 -2.083 8.596 1.00 0.00 C ATOM 1244 O CYS A 84 -0.397 -2.387 9.697 1.00 0.00 O ATOM 1245 CB CYS A 84 -0.367 0.133 7.518 1.00 0.00 C ATOM 1246 SG CYS A 84 1.068 0.455 6.442 1.00 0.00 S ATOM 0 H CYS A 84 -2.541 -0.670 8.513 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.644 -1.785 6.592 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.210 0.729 7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.134 0.472 8.527 1.00 0.00 H new ATOM 1251 N SER A 85 1.306 -2.375 8.230 1.00 0.00 N ATOM 1252 CA SER A 85 2.218 -3.086 9.122 1.00 0.00 C ATOM 1253 C SER A 85 2.054 -4.597 8.983 1.00 0.00 C ATOM 1254 O SER A 85 1.210 -5.074 8.225 1.00 0.00 O ATOM 1255 CB SER A 85 1.973 -2.668 10.573 1.00 0.00 C ATOM 1256 OG SER A 85 1.015 -3.509 11.193 1.00 0.00 O ATOM 0 H SER A 85 1.706 -2.132 7.324 1.00 0.00 H new ATOM 0 HA SER A 85 3.238 -2.823 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.910 -2.708 11.129 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.628 -1.635 10.603 1.00 0.00 H new ATOM 0 HG SER A 85 0.113 -3.204 10.960 1.00 0.00 H new ATOM 1262 N THR A 86 2.868 -5.345 9.722 1.00 0.00 N ATOM 1263 CA THR A 86 2.816 -6.803 9.682 1.00 0.00 C ATOM 1264 C THR A 86 3.131 -7.319 8.282 1.00 0.00 C ATOM 1265 O THR A 86 2.244 -7.779 7.564 1.00 0.00 O ATOM 1266 CB THR A 86 1.438 -7.298 10.124 1.00 0.00 C ATOM 1267 OG1 THR A 86 0.831 -6.370 11.006 1.00 0.00 O ATOM 1268 CG2 THR A 86 1.485 -8.637 10.828 1.00 0.00 C ATOM 0 H THR A 86 3.571 -4.966 10.356 1.00 0.00 H new ATOM 0 HA THR A 86 3.569 -7.188 10.370 1.00 0.00 H new ATOM 0 HB THR A 86 0.859 -7.406 9.207 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.050 -6.704 11.276 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.476 -8.932 11.116 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.905 -9.386 10.157 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.108 -8.558 11.719 1.00 0.00 H new ATOM 1276 N CYS A 87 4.401 -7.238 7.902 1.00 0.00 N ATOM 1277 CA CYS A 87 4.840 -7.695 6.589 1.00 0.00 C ATOM 1278 C CYS A 87 6.249 -7.194 6.292 1.00 0.00 C ATOM 1279 O CYS A 87 6.513 -6.639 5.225 1.00 0.00 O ATOM 1280 CB CYS A 87 3.872 -7.214 5.506 1.00 0.00 C ATOM 1281 SG CYS A 87 3.333 -5.485 5.703 1.00 0.00 S ATOM 0 H CYS A 87 5.146 -6.859 8.486 1.00 0.00 H new ATOM 0 HA CYS A 87 4.851 -8.785 6.591 1.00 0.00 H new ATOM 0 HB2 CYS A 87 4.349 -7.326 4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.994 -7.859 5.507 1.00 0.00 H new ATOM 1286 N TYR A 88 7.150 -7.394 7.249 1.00 0.00 N ATOM 1287 CA TYR A 88 8.536 -6.965 7.102 1.00 0.00 C ATOM 1288 C TYR A 88 9.448 -8.157 6.833 1.00 0.00 C ATOM 1289 O TYR A 88 8.983 -9.242 6.486 1.00 0.00 O ATOM 1290 CB TYR A 88 8.997 -6.227 8.361 1.00 0.00 C ATOM 1291 CG TYR A 88 8.050 -6.370 9.532 1.00 0.00 C ATOM 1292 CD1 TYR A 88 7.854 -7.600 10.149 1.00 0.00 C ATOM 1293 CD2 TYR A 88 7.351 -5.273 10.020 1.00 0.00 C ATOM 1294 CE1 TYR A 88 6.988 -7.732 11.218 1.00 0.00 C ATOM 1295 CE2 TYR A 88 6.483 -5.398 11.089 1.00 0.00 C ATOM 1296 CZ TYR A 88 6.306 -6.629 11.684 1.00 0.00 C ATOM 1297 OH TYR A 88 5.442 -6.758 12.747 1.00 0.00 O ATOM 0 H TYR A 88 6.944 -7.852 8.137 1.00 0.00 H new ATOM 0 HA TYR A 88 8.594 -6.288 6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.979 -6.601 8.652 1.00 0.00 H new ATOM 0 HB3 TYR A 88 9.115 -5.169 8.128 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.387 -8.467 9.787 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.488 -4.307 9.557 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.846 -8.695 11.686 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.946 -4.536 11.456 1.00 0.00 H new ATOM 0 HH TYR A 88 5.043 -5.887 12.952 1.00 0.00 H new ATOM 1307 N TYR A 89 10.751 -7.949 6.996 1.00 0.00 N ATOM 1308 CA TYR A 89 11.727 -9.009 6.769 1.00 0.00 C ATOM 1309 C TYR A 89 12.736 -9.076 7.912 1.00 0.00 C ATOM 1310 O TYR A 89 12.801 -8.178 8.751 1.00 0.00 O ATOM 1311 CB TYR A 89 12.458 -8.781 5.445 1.00 0.00 C ATOM 1312 CG TYR A 89 11.687 -9.258 4.235 1.00 0.00 C ATOM 1313 CD1 TYR A 89 11.638 -10.606 3.903 1.00 0.00 C ATOM 1314 CD2 TYR A 89 11.010 -8.357 3.423 1.00 0.00 C ATOM 1315 CE1 TYR A 89 10.934 -11.042 2.795 1.00 0.00 C ATOM 1316 CE2 TYR A 89 10.303 -8.785 2.316 1.00 0.00 C ATOM 1317 CZ TYR A 89 10.269 -10.129 2.005 1.00 0.00 C ATOM 1318 OH TYR A 89 9.569 -10.559 0.902 1.00 0.00 O ATOM 0 H TYR A 89 11.155 -7.058 7.284 1.00 0.00 H new ATOM 0 HA TYR A 89 11.191 -9.957 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.668 -7.717 5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.419 -9.294 5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 89 12.158 -11.325 4.519 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.037 -7.304 3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.906 -12.093 2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.780 -8.071 1.697 1.00 0.00 H new ATOM 0 HH TYR A 89 9.158 -9.790 0.455 1.00 0.00 H new ATOM 1328 N HIS A 90 13.524 -10.145 7.934 1.00 0.00 N ATOM 1329 CA HIS A 90 14.535 -10.331 8.968 1.00 0.00 C ATOM 1330 C HIS A 90 15.852 -10.801 8.354 1.00 0.00 C ATOM 1331 O HIS A 90 16.030 -10.752 7.137 1.00 0.00 O ATOM 1332 CB HIS A 90 14.052 -11.340 10.013 1.00 0.00 C ATOM 1333 CG HIS A 90 12.834 -12.105 9.592 1.00 0.00 C ATOM 1334 ND1 HIS A 90 11.582 -11.885 10.128 1.00 0.00 N ATOM 1335 CD2 HIS A 90 12.682 -13.095 8.680 1.00 0.00 C ATOM 1336 CE1 HIS A 90 10.713 -12.707 9.566 1.00 0.00 C ATOM 1337 NE2 HIS A 90 11.355 -13.450 8.684 1.00 0.00 N ATOM 0 H HIS A 90 13.482 -10.897 7.246 1.00 0.00 H new ATOM 0 HA HIS A 90 14.703 -9.372 9.458 1.00 0.00 H new ATOM 0 HB2 HIS A 90 14.857 -12.044 10.225 1.00 0.00 H new ATOM 0 HB3 HIS A 90 13.836 -10.813 10.942 1.00 0.00 H new ATOM 0 HD2 HIS A 90 13.459 -13.525 8.065 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.658 -12.761 9.790 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.934 -14.172 8.099 1.00 0.00 H new ATOM 1346 N LYS A 91 16.770 -11.257 9.202 1.00 0.00 N ATOM 1347 CA LYS A 91 18.067 -11.736 8.736 1.00 0.00 C ATOM 1348 C LYS A 91 18.873 -12.335 9.887 1.00 0.00 C ATOM 1349 O LYS A 91 18.845 -11.827 11.008 1.00 0.00 O ATOM 1350 CB LYS A 91 18.845 -10.595 8.066 1.00 0.00 C ATOM 1351 CG LYS A 91 19.860 -9.908 8.971 1.00 0.00 C ATOM 1352 CD LYS A 91 21.103 -9.499 8.195 1.00 0.00 C ATOM 1353 CE LYS A 91 21.632 -8.150 8.658 1.00 0.00 C ATOM 1354 NZ LYS A 91 22.644 -8.291 9.740 1.00 0.00 N ATOM 0 H LYS A 91 16.640 -11.305 10.213 1.00 0.00 H new ATOM 0 HA LYS A 91 17.899 -12.522 8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 91 19.364 -10.990 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 91 18.135 -9.850 7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 91 19.407 -9.028 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 91 20.140 -10.579 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 91 21.877 -10.257 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.870 -9.454 7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 91 22.076 -7.625 7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.803 -7.538 9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 22.979 -7.349 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 22.214 -8.769 10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 23.447 -8.853 9.393 1.00 0.00 H new ATOM 1368 N SER A 92 19.590 -13.419 9.602 1.00 0.00 N ATOM 1369 CA SER A 92 20.401 -14.086 10.615 1.00 0.00 C ATOM 1370 C SER A 92 21.629 -14.741 9.989 1.00 0.00 C ATOM 1371 O SER A 92 21.469 -15.794 9.336 1.00 0.00 O ATOM 1372 CB SER A 92 19.570 -15.137 11.354 1.00 0.00 C ATOM 1373 OG SER A 92 18.297 -15.299 10.751 1.00 0.00 O ATOM 1374 OXT SER A 92 22.740 -14.195 10.155 1.00 0.00 O ATOM 0 H SER A 92 19.626 -13.853 8.680 1.00 0.00 H new ATOM 0 HA SER A 92 20.738 -13.332 11.326 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.100 -16.090 11.354 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.447 -14.841 12.396 1.00 0.00 H new ATOM 0 HG SER A 92 17.787 -15.977 11.241 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 11.185 -3.934 -5.666 1.00 0.00 C HETATM 1382 C2 NAG A1052 10.700 -4.814 -6.813 1.00 0.00 C HETATM 1383 C3 NAG A1052 10.646 -6.269 -6.383 1.00 0.00 C HETATM 1384 C4 NAG A1052 11.980 -6.693 -5.798 1.00 0.00 C HETATM 1385 C5 NAG A1052 12.403 -5.741 -4.691 1.00 0.00 C HETATM 1386 C6 NAG A1052 13.781 -6.059 -4.146 1.00 0.00 C HETATM 1387 C7 NAG A1052 9.161 -3.966 -8.462 1.00 0.00 C HETATM 1388 C8 NAG A1052 7.748 -3.538 -8.822 1.00 0.00 C HETATM 1389 N2 NAG A1052 9.374 -4.389 -7.220 1.00 0.00 N HETATM 1390 O3 NAG A1052 10.351 -7.080 -7.509 1.00 0.00 O HETATM 1391 O4 NAG A1052 11.860 -8.004 -5.267 1.00 0.00 O HETATM 1392 O5 NAG A1052 12.453 -4.385 -5.170 1.00 0.00 O HETATM 1393 O6 NAG A1052 14.763 -6.024 -5.171 1.00 0.00 O HETATM 1394 O7 NAG A1052 10.051 -3.912 -9.310 1.00 0.00 O HETATM 0 HO6 NAG A1052 15.642 -6.231 -4.790 1.00 0.00 H new HETATM 0 HO4 NAG A1052 12.750 -8.406 -5.184 1.00 0.00 H new HETATM 0 HO3 NAG A1052 10.317 -8.020 -7.235 1.00 0.00 H new HETATM 0 HN2 NAG A1052 8.604 -4.415 -6.552 1.00 0.00 H new HETATM 0 H83 NAG A1052 7.067 -4.377 -8.682 1.00 0.00 H new HETATM 0 H82 NAG A1052 7.443 -2.712 -8.179 1.00 0.00 H new HETATM 0 H81 NAG A1052 7.719 -3.217 -9.863 1.00 0.00 H new HETATM 0 H62 NAG A1052 14.040 -5.342 -3.367 1.00 0.00 H new HETATM 0 H61 NAG A1052 13.772 -7.045 -3.682 1.00 0.00 H new HETATM 0 H5 NAG A1052 11.657 -5.860 -3.905 1.00 0.00 H new HETATM 0 H4 NAG A1052 12.733 -6.673 -6.586 1.00 0.00 H new HETATM 0 H3 NAG A1052 9.871 -6.387 -5.625 1.00 0.00 H new HETATM 0 H2 NAG A1052 11.397 -4.717 -7.646 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -17.883 -2.692 -0.052 1.00 0.00 C HETATM 1405 C2 NAG A1078 -19.389 -2.849 -0.238 1.00 0.00 C HETATM 1406 C3 NAG A1078 -20.121 -1.658 0.351 1.00 0.00 C HETATM 1407 C4 NAG A1078 -19.700 -1.440 1.791 1.00 0.00 C HETATM 1408 C5 NAG A1078 -18.185 -1.338 1.896 1.00 0.00 C HETATM 1409 C6 NAG A1078 -17.710 -1.240 3.332 1.00 0.00 C HETATM 1410 C7 NAG A1078 -20.295 -4.020 -2.140 1.00 0.00 C HETATM 1411 C8 NAG A1078 -20.595 -4.034 -3.629 1.00 0.00 C HETATM 1412 N2 NAG A1078 -19.695 -2.940 -1.651 1.00 0.00 N HETATM 1413 O3 NAG A1078 -21.520 -1.900 0.303 1.00 0.00 O HETATM 1414 O4 NAG A1078 -20.283 -0.237 2.271 1.00 0.00 O HETATM 1415 O5 NAG A1078 -17.553 -2.493 1.331 1.00 0.00 O HETATM 1416 O6 NAG A1078 -18.133 -2.363 4.094 1.00 0.00 O HETATM 1417 O7 NAG A1078 -20.607 -4.984 -1.442 1.00 0.00 O HETATM 0 HO6 NAG A1078 -18.109 -3.166 3.533 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -20.292 -0.246 3.251 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -21.998 -1.134 0.684 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -19.449 -2.171 -2.274 1.00 0.00 H new HETATM 0 H83 NAG A1078 -21.252 -3.200 -3.876 1.00 0.00 H new HETATM 0 H82 NAG A1078 -19.664 -3.940 -4.189 1.00 0.00 H new HETATM 0 H81 NAG A1078 -21.084 -4.972 -3.893 1.00 0.00 H new HETATM 0 H62 NAG A1078 -16.622 -1.172 3.354 1.00 0.00 H new HETATM 0 H61 NAG A1078 -18.095 -0.326 3.783 1.00 0.00 H new HETATM 0 H5 NAG A1078 -17.915 -0.432 1.354 1.00 0.00 H new HETATM 0 H4 NAG A1078 -20.038 -2.287 2.388 1.00 0.00 H new HETATM 0 H3 NAG A1078 -19.875 -0.768 -0.228 1.00 0.00 H new HETATM 0 H2 NAG A1078 -19.711 -3.756 0.273 1.00 0.00 H new