USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 47 HIS : no HD1:sc= -3.59! C(o=-2.9!,f=-2.7!) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.69 K(o=-2.9,f=-12!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.48 K(o=0.3,f=-2.7!) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.777 K(o=0.3,f=-4!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -1.39! C(o=-6.7!,f=-11!) USER MOD Set 3.2: A 21 GLN : amide:sc= -4.77! C(o=-6.7!,f=-8.5!) USER MOD Set 3.3: A 31 HIS : no HD1:sc= -0.51 X(o=-6.7,f=-6.7) USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= 0.21 (180deg=0.025) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.14) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0.00725 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= 0.103 (180deg=0.0624) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -139:sc= -0.0152 (180deg=-0.172) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0095) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.127 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.138 USER MOD Single : A 70 LYS NZ :NH3+ -122:sc= -1.76! (180deg=-5.23!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 3.875 11.279 4.735 1.00 0.00 N ATOM 12 CA ASP A 2 3.266 9.968 4.886 1.00 0.00 C ATOM 13 C ASP A 2 2.177 9.792 3.827 1.00 0.00 C ATOM 14 O ASP A 2 1.951 8.684 3.342 1.00 0.00 O ATOM 15 CB ASP A 2 2.616 9.818 6.263 1.00 0.00 C ATOM 16 CG ASP A 2 3.123 10.794 7.327 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.332 11.462 8.009 1.00 0.00 O ATOM 18 OD2 ASP A 2 4.406 10.854 7.445 1.00 0.00 O ATOM 0 HA ASP A 2 4.048 9.217 4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.539 9.948 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.781 8.800 6.617 1.00 0.00 H new ATOM 24 N ASP A 3 1.530 10.900 3.499 1.00 0.00 N ATOM 25 CA ASP A 3 0.469 10.882 2.506 1.00 0.00 C ATOM 26 C ASP A 3 1.084 10.753 1.111 1.00 0.00 C ATOM 27 O ASP A 3 1.803 11.644 0.661 1.00 0.00 O ATOM 28 CB ASP A 3 -0.345 12.177 2.545 1.00 0.00 C ATOM 29 CG ASP A 3 -0.201 12.992 3.832 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.422 12.481 4.940 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.159 14.219 3.663 1.00 0.00 O ATOM 0 H ASP A 3 1.720 11.817 3.903 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.185 10.038 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.048 12.801 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.398 11.931 2.404 1.00 0.00 H new ATOM 37 N ILE A 4 0.779 9.637 0.465 1.00 0.00 N ATOM 38 CA ILE A 4 1.293 9.380 -0.869 1.00 0.00 C ATOM 39 C ILE A 4 0.133 9.004 -1.794 1.00 0.00 C ATOM 40 O ILE A 4 -0.654 8.114 -1.478 1.00 0.00 O ATOM 41 CB ILE A 4 2.406 8.331 -0.822 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.518 8.754 0.140 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.942 8.037 -2.224 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.765 7.888 -0.048 1.00 0.00 C ATOM 0 H ILE A 4 0.182 8.900 0.841 1.00 0.00 H new ATOM 0 HA ILE A 4 1.751 10.279 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 4 1.984 7.402 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.770 9.801 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.165 8.671 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.732 7.288 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.134 7.661 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.343 8.952 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.540 8.210 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.516 6.844 0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.129 7.992 -1.070 1.00 0.00 H new ATOM 56 N VAL A 5 0.065 9.702 -2.918 1.00 0.00 N ATOM 57 CA VAL A 5 -0.985 9.453 -3.891 1.00 0.00 C ATOM 58 C VAL A 5 -0.434 8.577 -5.017 1.00 0.00 C ATOM 59 O VAL A 5 0.519 8.958 -5.695 1.00 0.00 O ATOM 60 CB VAL A 5 -1.559 10.780 -4.392 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.606 10.547 -5.484 1.00 0.00 C ATOM 62 CG2 VAL A 5 -2.143 11.597 -3.238 1.00 0.00 C ATOM 0 H VAL A 5 0.720 10.440 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.811 8.910 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.742 11.354 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.998 11.506 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.146 10.026 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.420 9.943 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.544 12.535 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.941 11.031 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.360 11.809 -2.509 1.00 0.00 H new ATOM 72 N LEU A 6 -1.057 7.419 -5.182 1.00 0.00 N ATOM 73 CA LEU A 6 -0.641 6.486 -6.214 1.00 0.00 C ATOM 74 C LEU A 6 -1.531 6.663 -7.445 1.00 0.00 C ATOM 75 O LEU A 6 -2.621 6.095 -7.515 1.00 0.00 O ATOM 76 CB LEU A 6 -0.623 5.056 -5.668 1.00 0.00 C ATOM 77 CG LEU A 6 0.364 4.785 -4.532 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.006 3.495 -3.791 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.804 4.768 -5.048 1.00 0.00 C ATOM 0 H LEU A 6 -1.847 7.106 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 6 0.382 6.696 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.625 4.809 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.396 4.377 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 6 0.289 5.601 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.723 3.326 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.996 3.583 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.035 2.656 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.485 4.573 -4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.912 3.985 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.042 5.734 -5.494 1.00 0.00 H new ATOM 91 N LYS A 7 -1.036 7.453 -8.387 1.00 0.00 N ATOM 92 CA LYS A 7 -1.773 7.712 -9.611 1.00 0.00 C ATOM 93 C LYS A 7 -2.211 6.382 -10.229 1.00 0.00 C ATOM 94 O LYS A 7 -1.424 5.440 -10.306 1.00 0.00 O ATOM 95 CB LYS A 7 -0.949 8.587 -10.558 1.00 0.00 C ATOM 96 CG LYS A 7 0.331 7.871 -10.992 1.00 0.00 C ATOM 97 CD LYS A 7 1.561 8.498 -10.330 1.00 0.00 C ATOM 98 CE LYS A 7 2.122 7.583 -9.240 1.00 0.00 C ATOM 99 NZ LYS A 7 2.528 8.376 -8.057 1.00 0.00 N ATOM 0 H LYS A 7 -0.132 7.922 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.679 8.279 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.544 8.840 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.696 9.525 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.269 6.815 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.431 7.922 -12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.327 8.686 -11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.294 9.463 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.371 6.847 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.978 7.030 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.307 7.893 -7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.843 9.319 -8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.719 8.474 -7.411 1.00 0.00 H new ATOM 112 N ALA A 8 -3.466 6.348 -10.652 1.00 0.00 N ATOM 113 CA ALA A 8 -4.019 5.149 -11.260 1.00 0.00 C ATOM 114 C ALA A 8 -5.040 5.548 -12.327 1.00 0.00 C ATOM 115 O ALA A 8 -5.842 6.456 -12.115 1.00 0.00 O ATOM 116 CB ALA A 8 -4.627 4.260 -10.174 1.00 0.00 C ATOM 0 H ALA A 8 -4.116 7.131 -10.586 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.236 4.572 -11.753 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.042 3.361 -10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.854 3.980 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.419 4.804 -9.659 1.00 0.00 H new ATOM 122 N LYS A 9 -4.977 4.849 -13.451 1.00 0.00 N ATOM 123 CA LYS A 9 -5.887 5.119 -14.552 1.00 0.00 C ATOM 124 C LYS A 9 -7.276 4.580 -14.204 1.00 0.00 C ATOM 125 O LYS A 9 -8.217 4.731 -14.981 1.00 0.00 O ATOM 126 CB LYS A 9 -5.322 4.565 -15.861 1.00 0.00 C ATOM 127 CG LYS A 9 -5.162 3.045 -15.790 1.00 0.00 C ATOM 128 CD LYS A 9 -4.751 2.472 -17.148 1.00 0.00 C ATOM 129 CE LYS A 9 -5.433 1.127 -17.404 1.00 0.00 C ATOM 130 NZ LYS A 9 -5.750 0.973 -18.842 1.00 0.00 N ATOM 0 H LYS A 9 -4.310 4.096 -13.623 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.991 6.193 -14.706 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.984 4.826 -16.686 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.357 5.026 -16.069 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.412 2.789 -15.042 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.100 2.592 -15.469 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.016 3.174 -17.938 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.669 2.347 -17.182 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.782 0.315 -17.080 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.347 1.058 -16.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.213 0.055 -18.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.388 1.738 -19.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.872 1.018 -19.398 1.00 0.00 H new ATOM 143 N ASN A 10 -7.360 3.962 -13.035 1.00 0.00 N ATOM 144 CA ASN A 10 -8.618 3.399 -12.575 1.00 0.00 C ATOM 145 C ASN A 10 -8.962 3.985 -11.204 1.00 0.00 C ATOM 146 O ASN A 10 -9.639 3.342 -10.402 1.00 0.00 O ATOM 147 CB ASN A 10 -8.521 1.879 -12.428 1.00 0.00 C ATOM 148 CG ASN A 10 -9.759 1.192 -13.007 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.141 1.401 -14.146 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.363 0.363 -12.160 1.00 0.00 N ATOM 0 H ASN A 10 -6.577 3.839 -12.393 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.385 3.642 -13.310 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.628 1.517 -12.938 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.415 1.618 -11.375 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.199 -0.144 -12.451 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.990 0.234 -11.219 1.00 0.00 H new ATOM 157 N GLY A 11 -8.482 5.199 -10.977 1.00 0.00 N ATOM 158 CA GLY A 11 -8.731 5.879 -9.717 1.00 0.00 C ATOM 159 C GLY A 11 -7.482 5.868 -8.832 1.00 0.00 C ATOM 160 O GLY A 11 -6.942 4.806 -8.528 1.00 0.00 O ATOM 0 H GLY A 11 -7.922 5.729 -11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.036 6.908 -9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.556 5.394 -9.195 1.00 0.00 H new ATOM 164 N ASP A 12 -7.061 7.063 -8.444 1.00 0.00 N ATOM 165 CA ASP A 12 -5.887 7.204 -7.600 1.00 0.00 C ATOM 166 C ASP A 12 -6.125 6.477 -6.276 1.00 0.00 C ATOM 167 O ASP A 12 -7.269 6.276 -5.871 1.00 0.00 O ATOM 168 CB ASP A 12 -5.607 8.675 -7.288 1.00 0.00 C ATOM 169 CG ASP A 12 -6.657 9.362 -6.413 1.00 0.00 C ATOM 170 OD1 ASP A 12 -7.772 9.659 -6.867 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.287 9.595 -5.199 1.00 0.00 O ATOM 0 H ASP A 12 -7.512 7.942 -8.699 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.036 6.780 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.639 8.748 -6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.526 9.221 -8.228 1.00 0.00 H new ATOM 177 N VAL A 13 -5.026 6.102 -5.637 1.00 0.00 N ATOM 178 CA VAL A 13 -5.102 5.402 -4.366 1.00 0.00 C ATOM 179 C VAL A 13 -4.357 6.207 -3.300 1.00 0.00 C ATOM 180 O VAL A 13 -3.150 6.420 -3.407 1.00 0.00 O ATOM 181 CB VAL A 13 -4.566 3.977 -4.522 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.698 3.196 -3.212 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.271 3.249 -5.668 1.00 0.00 C ATOM 0 H VAL A 13 -4.079 6.270 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.138 5.312 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.506 4.042 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.310 2.187 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.130 3.699 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.748 3.145 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.872 2.239 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.341 3.200 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.104 3.789 -6.600 1.00 0.00 H new ATOM 193 N LYS A 14 -5.107 6.634 -2.294 1.00 0.00 N ATOM 194 CA LYS A 14 -4.532 7.411 -1.209 1.00 0.00 C ATOM 195 C LYS A 14 -3.946 6.462 -0.162 1.00 0.00 C ATOM 196 O LYS A 14 -4.685 5.816 0.579 1.00 0.00 O ATOM 197 CB LYS A 14 -5.567 8.387 -0.644 1.00 0.00 C ATOM 198 CG LYS A 14 -4.891 9.481 0.185 1.00 0.00 C ATOM 199 CD LYS A 14 -4.289 8.905 1.468 1.00 0.00 C ATOM 200 CE LYS A 14 -3.982 10.014 2.476 1.00 0.00 C ATOM 201 NZ LYS A 14 -4.967 9.999 3.580 1.00 0.00 N ATOM 0 H LYS A 14 -6.108 6.456 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.711 8.028 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.130 8.839 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.283 7.846 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.109 9.958 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.618 10.254 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.982 8.189 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.375 8.360 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.977 9.882 2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.001 10.983 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.744 10.758 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.922 10.148 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.929 9.081 4.067 1.00 0.00 H new ATOM 214 N PHE A 15 -2.622 6.407 -0.135 1.00 0.00 N ATOM 215 CA PHE A 15 -1.928 5.548 0.808 1.00 0.00 C ATOM 216 C PHE A 15 -1.288 6.369 1.930 1.00 0.00 C ATOM 217 O PHE A 15 -0.491 7.276 1.702 1.00 0.00 O ATOM 218 CB PHE A 15 -0.826 4.827 0.029 1.00 0.00 C ATOM 219 CG PHE A 15 0.057 3.923 0.892 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.508 2.947 1.653 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.406 4.095 0.898 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.312 2.109 2.454 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.225 3.256 1.699 1.00 0.00 C ATOM 224 CZ PHE A 15 1.661 2.280 2.460 1.00 0.00 C ATOM 0 H PHE A 15 -2.012 6.944 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.631 4.849 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.284 4.227 -0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.197 5.570 -0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.579 2.810 1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.854 4.870 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.136 1.335 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.296 3.393 1.704 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.284 1.641 3.069 1.00 0.00 H new ATOM 234 N PRO A 16 -1.663 6.025 3.164 1.00 0.00 N ATOM 235 CA PRO A 16 -1.183 6.666 4.370 1.00 0.00 C ATOM 236 C PRO A 16 0.119 6.013 4.811 1.00 0.00 C ATOM 237 O PRO A 16 0.071 4.990 5.492 1.00 0.00 O ATOM 238 CB PRO A 16 -2.286 6.436 5.401 1.00 0.00 C ATOM 239 CG PRO A 16 -2.836 5.068 4.973 1.00 0.00 C ATOM 240 CD PRO A 16 -2.599 4.965 3.469 1.00 0.00 C ATOM 0 HA PRO A 16 -0.977 7.728 4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.897 6.420 6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.049 7.213 5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.329 4.262 5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.897 4.985 5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.193 3.990 3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.529 5.088 2.914 1.00 0.00 H new ATOM 248 N HIS A 17 1.240 6.603 4.422 1.00 0.00 N ATOM 249 CA HIS A 17 2.537 6.060 4.787 1.00 0.00 C ATOM 250 C HIS A 17 2.885 6.479 6.217 1.00 0.00 C ATOM 251 O HIS A 17 3.991 6.949 6.479 1.00 0.00 O ATOM 252 CB HIS A 17 3.605 6.473 3.772 1.00 0.00 C ATOM 253 CG HIS A 17 4.958 5.846 4.014 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.830 6.298 4.989 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.577 4.799 3.398 1.00 0.00 C ATOM 256 CE1 HIS A 17 6.922 5.549 4.952 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.764 4.621 3.965 1.00 0.00 N ATOM 0 H HIS A 17 1.277 7.452 3.858 1.00 0.00 H new ATOM 0 HA HIS A 17 2.498 4.971 4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.265 6.204 2.772 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.710 7.558 3.792 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.661 7.075 5.627 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.171 4.214 2.586 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.786 5.655 5.591 1.00 0.00 H new ATOM 265 N LYS A 18 1.919 6.294 7.105 1.00 0.00 N ATOM 266 CA LYS A 18 2.109 6.648 8.502 1.00 0.00 C ATOM 267 C LYS A 18 1.490 5.563 9.386 1.00 0.00 C ATOM 268 O LYS A 18 2.202 4.849 10.090 1.00 0.00 O ATOM 269 CB LYS A 18 1.566 8.051 8.778 1.00 0.00 C ATOM 270 CG LYS A 18 1.119 8.189 10.235 1.00 0.00 C ATOM 271 CD LYS A 18 2.292 7.966 11.191 1.00 0.00 C ATOM 272 CE LYS A 18 2.663 9.262 11.915 1.00 0.00 C ATOM 273 NZ LYS A 18 3.055 8.979 13.314 1.00 0.00 N ATOM 0 H LYS A 18 1.003 5.904 6.885 1.00 0.00 H new ATOM 0 HA LYS A 18 3.171 6.690 8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.334 8.792 8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.726 8.257 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.696 9.181 10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.330 7.468 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.031 7.200 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.154 7.596 10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.484 9.755 11.394 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.817 9.949 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.304 9.869 13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.261 8.529 13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.876 8.340 13.322 1.00 0.00 H new ATOM 286 N ALA A 19 0.169 5.475 9.321 1.00 0.00 N ATOM 287 CA ALA A 19 -0.554 4.490 10.108 1.00 0.00 C ATOM 288 C ALA A 19 0.018 3.099 9.825 1.00 0.00 C ATOM 289 O ALA A 19 -0.111 2.192 10.647 1.00 0.00 O ATOM 290 CB ALA A 19 -2.048 4.581 9.792 1.00 0.00 C ATOM 0 H ALA A 19 -0.419 6.069 8.736 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.434 4.686 11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.590 3.842 10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.412 5.579 10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.208 4.387 8.731 1.00 0.00 H new ATOM 296 N HIS A 20 0.637 2.973 8.660 1.00 0.00 N ATOM 297 CA HIS A 20 1.228 1.708 8.260 1.00 0.00 C ATOM 298 C HIS A 20 2.575 1.526 8.962 1.00 0.00 C ATOM 299 O HIS A 20 3.263 0.530 8.745 1.00 0.00 O ATOM 300 CB HIS A 20 1.336 1.618 6.736 1.00 0.00 C ATOM 301 CG HIS A 20 0.037 1.272 6.048 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.882 2.230 5.657 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.485 0.066 5.684 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.908 1.617 5.086 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.660 0.275 5.104 1.00 0.00 N ATOM 0 H HIS A 20 0.742 3.727 7.981 1.00 0.00 H new ATOM 0 HA HIS A 20 0.583 0.886 8.570 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.697 2.572 6.351 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.083 0.867 6.479 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.786 3.237 5.787 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.021 -0.896 5.841 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.786 2.095 4.678 1.00 0.00 H new ATOM 313 N GLN A 21 2.912 2.505 9.789 1.00 0.00 N ATOM 314 CA GLN A 21 4.165 2.466 10.524 1.00 0.00 C ATOM 315 C GLN A 21 3.943 1.883 11.921 1.00 0.00 C ATOM 316 O GLN A 21 4.613 0.929 12.314 1.00 0.00 O ATOM 317 CB GLN A 21 4.798 3.856 10.604 1.00 0.00 C ATOM 318 CG GLN A 21 5.187 4.363 9.214 1.00 0.00 C ATOM 319 CD GLN A 21 5.380 5.880 9.217 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.049 6.572 10.166 1.00 0.00 O ATOM 321 NE2 GLN A 21 5.934 6.358 8.106 1.00 0.00 N ATOM 0 H GLN A 21 2.339 3.330 9.966 1.00 0.00 H new ATOM 0 HA GLN A 21 4.858 1.818 9.987 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.098 4.552 11.066 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.681 3.821 11.242 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.107 3.877 8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.414 4.093 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.188 5.723 7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.105 7.359 8.011 1.00 0.00 H new ATOM 330 N LYS A 22 2.999 2.481 12.633 1.00 0.00 N ATOM 331 CA LYS A 22 2.680 2.034 13.978 1.00 0.00 C ATOM 332 C LYS A 22 2.066 0.634 13.913 1.00 0.00 C ATOM 333 O LYS A 22 2.158 -0.134 14.870 1.00 0.00 O ATOM 334 CB LYS A 22 1.796 3.061 14.689 1.00 0.00 C ATOM 335 CG LYS A 22 2.602 4.301 15.078 1.00 0.00 C ATOM 336 CD LYS A 22 3.025 4.241 16.547 1.00 0.00 C ATOM 337 CE LYS A 22 2.584 5.500 17.298 1.00 0.00 C ATOM 338 NZ LYS A 22 3.580 6.581 17.126 1.00 0.00 N ATOM 0 H LYS A 22 2.445 3.271 12.304 1.00 0.00 H new ATOM 0 HA LYS A 22 3.586 1.958 14.579 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.971 3.349 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.357 2.613 15.581 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.485 4.378 14.444 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.005 5.196 14.904 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.589 3.361 17.019 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.108 4.135 16.613 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.613 5.830 16.928 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.462 5.275 18.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.266 7.428 17.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.499 6.269 17.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.676 6.807 16.115 1.00 0.00 H new ATOM 351 N ALA A 23 1.452 0.344 12.775 1.00 0.00 N ATOM 352 CA ALA A 23 0.823 -0.950 12.572 1.00 0.00 C ATOM 353 C ALA A 23 1.883 -1.966 12.144 1.00 0.00 C ATOM 354 O ALA A 23 1.756 -3.157 12.425 1.00 0.00 O ATOM 355 CB ALA A 23 -0.304 -0.815 11.546 1.00 0.00 C ATOM 0 H ALA A 23 1.377 0.983 11.984 1.00 0.00 H new ATOM 0 HA ALA A 23 0.378 -1.310 13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.776 -1.786 11.394 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.046 -0.105 11.911 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.105 -0.458 10.601 1.00 0.00 H new ATOM 361 N VAL A 24 2.905 -1.459 11.471 1.00 0.00 N ATOM 362 CA VAL A 24 3.987 -2.308 11.001 1.00 0.00 C ATOM 363 C VAL A 24 5.323 -1.602 11.238 1.00 0.00 C ATOM 364 O VAL A 24 6.069 -1.288 10.313 1.00 0.00 O ATOM 365 CB VAL A 24 3.760 -2.681 9.535 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.864 -3.611 9.028 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.379 -3.310 9.337 1.00 0.00 C ATOM 0 H VAL A 24 3.007 -0.471 11.240 1.00 0.00 H new ATOM 0 HA VAL A 24 4.010 -3.243 11.561 1.00 0.00 H new ATOM 0 HB VAL A 24 3.798 -1.764 8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.678 -3.861 7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.829 -3.112 9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.872 -4.524 9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.243 -3.566 8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.300 -4.212 9.943 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.609 -2.600 9.640 1.00 0.00 H new ATOM 377 N PRO A 25 5.613 -1.356 12.518 1.00 0.00 N ATOM 378 CA PRO A 25 6.821 -0.701 12.970 1.00 0.00 C ATOM 379 C PRO A 25 8.006 -1.196 12.153 1.00 0.00 C ATOM 380 O PRO A 25 8.979 -0.458 12.010 1.00 0.00 O ATOM 381 CB PRO A 25 6.960 -1.105 14.436 1.00 0.00 C ATOM 382 CG PRO A 25 5.508 -1.230 14.872 1.00 0.00 C ATOM 383 CD PRO A 25 4.759 -1.712 13.631 1.00 0.00 C ATOM 0 HA PRO A 25 6.785 0.382 12.855 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.502 -2.044 14.550 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.497 -0.354 15.016 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.403 -1.937 15.695 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.118 -0.274 15.221 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.585 -2.787 13.667 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.783 -1.234 13.548 1.00 0.00 H new ATOM 391 N ASP A 26 7.908 -2.415 11.643 1.00 0.00 N ATOM 392 CA ASP A 26 8.984 -2.983 10.849 1.00 0.00 C ATOM 393 C ASP A 26 8.901 -2.439 9.421 1.00 0.00 C ATOM 394 O ASP A 26 7.950 -2.730 8.697 1.00 0.00 O ATOM 395 CB ASP A 26 8.874 -4.508 10.781 1.00 0.00 C ATOM 396 CG ASP A 26 9.996 -5.204 10.009 1.00 0.00 C ATOM 397 OD1 ASP A 26 9.856 -5.506 8.814 1.00 0.00 O ATOM 398 OD2 ASP A 26 11.064 -5.439 10.692 1.00 0.00 O ATOM 0 H ASP A 26 7.100 -3.025 11.764 1.00 0.00 H new ATOM 0 HA ASP A 26 9.929 -2.710 11.319 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.855 -4.901 11.797 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.921 -4.768 10.320 1.00 0.00 H new ATOM 404 N CYS A 27 9.908 -1.659 9.059 1.00 0.00 N ATOM 405 CA CYS A 27 9.961 -1.072 7.731 1.00 0.00 C ATOM 406 C CYS A 27 10.570 -2.100 6.775 1.00 0.00 C ATOM 407 O CYS A 27 10.498 -1.939 5.558 1.00 0.00 O ATOM 408 CB CYS A 27 10.740 0.245 7.725 1.00 0.00 C ATOM 409 SG CYS A 27 10.544 1.259 9.236 1.00 0.00 S ATOM 0 H CYS A 27 10.695 -1.419 9.663 1.00 0.00 H new ATOM 0 HA CYS A 27 8.953 -0.823 7.400 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.798 0.024 7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.423 0.835 6.865 1.00 0.00 H new ATOM 0 HG CYS A 27 11.247 2.347 9.123 1.00 0.00 H new ATOM 414 N LYS A 28 11.156 -3.133 7.363 1.00 0.00 N ATOM 415 CA LYS A 28 11.777 -4.186 6.579 1.00 0.00 C ATOM 416 C LYS A 28 10.693 -5.126 6.045 1.00 0.00 C ATOM 417 O LYS A 28 10.988 -6.062 5.304 1.00 0.00 O ATOM 418 CB LYS A 28 12.858 -4.896 7.396 1.00 0.00 C ATOM 419 CG LYS A 28 14.019 -3.950 7.709 1.00 0.00 C ATOM 420 CD LYS A 28 15.361 -4.678 7.613 1.00 0.00 C ATOM 421 CE LYS A 28 16.526 -3.688 7.663 1.00 0.00 C ATOM 422 NZ LYS A 28 17.819 -4.409 7.675 1.00 0.00 N ATOM 0 H LYS A 28 11.214 -3.263 8.373 1.00 0.00 H new ATOM 0 HA LYS A 28 12.289 -3.765 5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.429 -5.271 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.227 -5.760 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.006 -3.111 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.896 -3.537 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.451 -5.392 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.404 -5.249 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.482 -3.022 6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.443 -3.064 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.599 -3.722 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.864 -5.026 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.903 -4.986 6.814 1.00 0.00 H new ATOM 435 N LYS A 29 9.462 -4.843 6.444 1.00 0.00 N ATOM 436 CA LYS A 29 8.332 -5.651 6.015 1.00 0.00 C ATOM 437 C LYS A 29 8.090 -5.429 4.521 1.00 0.00 C ATOM 438 O LYS A 29 7.967 -6.387 3.759 1.00 0.00 O ATOM 439 CB LYS A 29 7.107 -5.364 6.886 1.00 0.00 C ATOM 440 CG LYS A 29 6.982 -6.393 8.011 1.00 0.00 C ATOM 441 CD LYS A 29 6.460 -7.729 7.478 1.00 0.00 C ATOM 442 CE LYS A 29 5.340 -8.274 8.366 1.00 0.00 C ATOM 443 NZ LYS A 29 5.899 -8.858 9.605 1.00 0.00 N ATOM 0 H LYS A 29 9.222 -4.066 7.059 1.00 0.00 H new ATOM 0 HA LYS A 29 8.549 -6.711 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.185 -4.363 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.207 -5.381 6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.953 -6.540 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.308 -6.016 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.092 -7.600 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.276 -8.450 7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.644 -7.473 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.773 -9.031 7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.125 -9.223 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.545 -9.635 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.420 -8.126 10.129 1.00 0.00 H new ATOM 456 N CYS A 30 8.028 -4.160 4.146 1.00 0.00 N ATOM 457 CA CYS A 30 7.803 -3.799 2.757 1.00 0.00 C ATOM 458 C CYS A 30 9.156 -3.483 2.117 1.00 0.00 C ATOM 459 O CYS A 30 9.505 -4.049 1.082 1.00 0.00 O ATOM 460 CB CYS A 30 6.823 -2.632 2.627 1.00 0.00 C ATOM 461 SG CYS A 30 5.395 -2.886 3.743 1.00 0.00 S ATOM 0 H CYS A 30 8.130 -3.368 4.781 1.00 0.00 H new ATOM 0 HA CYS A 30 7.341 -4.635 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.325 -1.696 2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.479 -2.548 1.596 1.00 0.00 H new ATOM 0 HG CYS A 30 4.570 -1.888 3.626 1.00 0.00 H new ATOM 466 N HIS A 31 9.881 -2.578 2.759 1.00 0.00 N ATOM 467 CA HIS A 31 11.188 -2.179 2.265 1.00 0.00 C ATOM 468 C HIS A 31 12.186 -3.320 2.474 1.00 0.00 C ATOM 469 O HIS A 31 12.583 -3.603 3.603 1.00 0.00 O ATOM 470 CB HIS A 31 11.639 -0.871 2.918 1.00 0.00 C ATOM 471 CG HIS A 31 10.719 0.297 2.651 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.498 0.803 1.382 1.00 0.00 N ATOM 473 CD2 HIS A 31 9.967 1.051 3.503 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.650 1.816 1.478 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.322 1.969 2.793 1.00 0.00 N ATOM 0 H HIS A 31 9.588 -2.110 3.617 1.00 0.00 H new ATOM 0 HA HIS A 31 11.132 -1.983 1.194 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.715 -1.022 3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.638 -0.623 2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.906 0.923 4.574 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.283 2.416 0.658 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.686 2.672 3.169 1.00 0.00 H new ATOM 483 N GLU A 32 12.561 -3.945 1.367 1.00 0.00 N ATOM 484 CA GLU A 32 13.505 -5.049 1.415 1.00 0.00 C ATOM 485 C GLU A 32 14.940 -4.525 1.327 1.00 0.00 C ATOM 486 O GLU A 32 15.793 -4.905 2.128 1.00 0.00 O ATOM 487 CB GLU A 32 13.222 -6.060 0.303 1.00 0.00 C ATOM 488 CG GLU A 32 12.344 -7.205 0.813 1.00 0.00 C ATOM 489 CD GLU A 32 11.737 -7.991 -0.351 1.00 0.00 C ATOM 490 OE1 GLU A 32 12.281 -9.033 -0.747 1.00 0.00 O ATOM 491 OE2 GLU A 32 10.659 -7.484 -0.848 1.00 0.00 O ATOM 0 H GLU A 32 12.228 -3.708 0.432 1.00 0.00 H new ATOM 0 HA GLU A 32 13.385 -5.563 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.727 -5.561 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.162 -6.460 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.938 -7.873 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.548 -6.805 1.441 1.00 0.00 H new ATOM 499 N LYS A 33 15.161 -3.660 0.348 1.00 0.00 N ATOM 500 CA LYS A 33 16.478 -3.080 0.145 1.00 0.00 C ATOM 501 C LYS A 33 16.572 -1.759 0.910 1.00 0.00 C ATOM 502 O LYS A 33 17.306 -0.857 0.510 1.00 0.00 O ATOM 503 CB LYS A 33 16.781 -2.949 -1.349 1.00 0.00 C ATOM 504 CG LYS A 33 16.777 -4.318 -2.032 1.00 0.00 C ATOM 505 CD LYS A 33 17.976 -4.467 -2.970 1.00 0.00 C ATOM 506 CE LYS A 33 17.543 -4.363 -4.434 1.00 0.00 C ATOM 507 NZ LYS A 33 18.676 -3.928 -5.280 1.00 0.00 N ATOM 0 H LYS A 33 14.450 -3.347 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 33 17.250 -3.737 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.040 -2.302 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.752 -2.473 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.801 -5.105 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.852 -4.445 -2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.713 -3.695 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.460 -5.428 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.173 -5.328 -4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.720 -3.655 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.365 -3.863 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.011 -2.997 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.450 -4.618 -5.205 1.00 0.00 H new ATOM 520 N GLY A 34 15.817 -1.686 1.997 1.00 0.00 N ATOM 521 CA GLY A 34 15.806 -0.490 2.822 1.00 0.00 C ATOM 522 C GLY A 34 14.740 0.497 2.341 1.00 0.00 C ATOM 523 O GLY A 34 14.144 0.347 1.277 1.00 0.00 O ATOM 0 H GLY A 34 15.209 -2.436 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.614 -0.761 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.787 -0.015 2.793 1.00 0.00 H new ATOM 527 N PRO A 35 14.512 1.525 3.162 1.00 0.00 N ATOM 528 CA PRO A 35 13.550 2.576 2.906 1.00 0.00 C ATOM 529 C PRO A 35 13.837 3.212 1.554 1.00 0.00 C ATOM 530 O PRO A 35 15.007 3.411 1.228 1.00 0.00 O ATOM 531 CB PRO A 35 13.756 3.579 4.039 1.00 0.00 C ATOM 532 CG PRO A 35 15.165 3.243 4.642 1.00 0.00 C ATOM 533 CD PRO A 35 15.194 1.732 4.421 1.00 0.00 C ATOM 0 HA PRO A 35 12.523 2.213 2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.722 4.603 3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.974 3.487 4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.974 3.756 4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.242 3.512 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.217 1.358 4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.693 1.205 5.233 1.00 0.00 H new ATOM 541 N GLY A 36 12.788 3.513 0.804 1.00 0.00 N ATOM 542 CA GLY A 36 12.953 4.123 -0.505 1.00 0.00 C ATOM 543 C GLY A 36 11.927 3.574 -1.498 1.00 0.00 C ATOM 544 O GLY A 36 11.042 2.807 -1.122 1.00 0.00 O ATOM 0 H GLY A 36 11.820 3.346 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.843 5.204 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.961 3.932 -0.875 1.00 0.00 H new ATOM 548 N LYS A 37 12.080 3.989 -2.747 1.00 0.00 N ATOM 549 CA LYS A 37 11.178 3.548 -3.798 1.00 0.00 C ATOM 550 C LYS A 37 11.300 2.032 -3.966 1.00 0.00 C ATOM 551 O LYS A 37 12.371 1.465 -3.760 1.00 0.00 O ATOM 552 CB LYS A 37 11.433 4.332 -5.087 1.00 0.00 C ATOM 553 CG LYS A 37 10.139 4.515 -5.883 1.00 0.00 C ATOM 554 CD LYS A 37 10.043 3.493 -7.017 1.00 0.00 C ATOM 555 CE LYS A 37 9.501 4.139 -8.293 1.00 0.00 C ATOM 556 NZ LYS A 37 10.439 3.930 -9.419 1.00 0.00 N ATOM 0 H LYS A 37 12.815 4.626 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 37 10.144 3.757 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.857 5.307 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.168 3.807 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.281 4.408 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.100 5.524 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.027 3.066 -7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.393 2.671 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.528 3.713 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.350 5.206 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.056 4.375 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.359 4.358 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.563 2.911 -9.583 1.00 0.00 H new ATOM 569 N ILE A 38 10.186 1.419 -4.339 1.00 0.00 N ATOM 570 CA ILE A 38 10.154 -0.020 -4.537 1.00 0.00 C ATOM 571 C ILE A 38 10.137 -0.324 -6.037 1.00 0.00 C ATOM 572 O ILE A 38 9.211 0.071 -6.743 1.00 0.00 O ATOM 573 CB ILE A 38 8.984 -0.641 -3.771 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.060 -0.297 -2.282 1.00 0.00 C ATOM 575 CG2 ILE A 38 8.913 -2.150 -4.007 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.768 -0.690 -1.562 1.00 0.00 C ATOM 0 H ILE A 38 9.299 1.893 -4.509 1.00 0.00 H new ATOM 0 HA ILE A 38 11.053 -0.480 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 38 8.058 -0.212 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.905 -0.814 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.238 0.772 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.073 -2.566 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.777 -2.346 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.838 -2.615 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.848 -0.435 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.928 -0.153 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.606 -1.763 -1.665 1.00 0.00 H new ATOM 588 N GLU A 39 11.172 -1.023 -6.478 1.00 0.00 N ATOM 589 CA GLU A 39 11.288 -1.384 -7.881 1.00 0.00 C ATOM 590 C GLU A 39 10.483 -2.653 -8.170 1.00 0.00 C ATOM 591 O GLU A 39 10.600 -3.644 -7.451 1.00 0.00 O ATOM 592 CB GLU A 39 12.753 -1.561 -8.282 1.00 0.00 C ATOM 593 CG GLU A 39 13.257 -0.349 -9.068 1.00 0.00 C ATOM 594 CD GLU A 39 14.680 -0.580 -9.581 1.00 0.00 C ATOM 595 OE1 GLU A 39 14.978 -1.657 -10.118 1.00 0.00 O ATOM 596 OE2 GLU A 39 15.489 0.409 -9.407 1.00 0.00 O ATOM 0 H GLU A 39 11.938 -1.349 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 39 10.877 -0.572 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.364 -1.700 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.862 -2.462 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.591 -0.154 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.235 0.536 -8.432 1.00 0.00 H new ATOM 604 N GLY A 40 9.685 -2.581 -9.225 1.00 0.00 N ATOM 605 CA GLY A 40 8.861 -3.712 -9.618 1.00 0.00 C ATOM 606 C GLY A 40 7.391 -3.466 -9.272 1.00 0.00 C ATOM 607 O GLY A 40 6.501 -3.816 -10.045 1.00 0.00 O ATOM 0 H GLY A 40 9.591 -1.758 -9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.962 -3.885 -10.689 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.211 -4.614 -9.115 1.00 0.00 H new ATOM 611 N PHE A 41 7.182 -2.865 -8.110 1.00 0.00 N ATOM 612 CA PHE A 41 5.835 -2.568 -7.653 1.00 0.00 C ATOM 613 C PHE A 41 4.917 -2.237 -8.831 1.00 0.00 C ATOM 614 O PHE A 41 5.369 -1.714 -9.848 1.00 0.00 O ATOM 615 CB PHE A 41 5.933 -1.344 -6.739 1.00 0.00 C ATOM 616 CG PHE A 41 4.612 -0.961 -6.069 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.024 -1.813 -5.187 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.025 0.232 -6.356 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.798 -1.457 -4.566 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.799 0.588 -5.735 1.00 0.00 C ATOM 621 CZ PHE A 41 2.211 -0.264 -4.853 1.00 0.00 C ATOM 0 H PHE A 41 7.923 -2.576 -7.471 1.00 0.00 H new ATOM 0 HA PHE A 41 5.419 -3.432 -7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.677 -1.539 -5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.292 -0.496 -7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.490 -2.760 -4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.492 0.909 -7.057 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.331 -2.134 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.333 1.535 -5.963 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.278 0.007 -4.381 1.00 0.00 H new ATOM 631 N GLY A 42 3.643 -2.555 -8.654 1.00 0.00 N ATOM 632 CA GLY A 42 2.656 -2.298 -9.689 1.00 0.00 C ATOM 633 C GLY A 42 1.283 -2.838 -9.284 1.00 0.00 C ATOM 634 O GLY A 42 1.024 -3.062 -8.103 1.00 0.00 O ATOM 0 H GLY A 42 3.271 -2.989 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.589 -1.226 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.973 -2.763 -10.622 1.00 0.00 H new ATOM 638 N LYS A 43 0.439 -3.031 -10.287 1.00 0.00 N ATOM 639 CA LYS A 43 -0.901 -3.540 -10.051 1.00 0.00 C ATOM 640 C LYS A 43 -0.810 -4.893 -9.343 1.00 0.00 C ATOM 641 O LYS A 43 -1.014 -4.980 -8.133 1.00 0.00 O ATOM 642 CB LYS A 43 -1.697 -3.581 -11.356 1.00 0.00 C ATOM 643 CG LYS A 43 -3.199 -3.679 -11.080 1.00 0.00 C ATOM 644 CD LYS A 43 -3.871 -4.657 -12.046 1.00 0.00 C ATOM 645 CE LYS A 43 -5.033 -3.987 -12.784 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.408 -4.772 -13.981 1.00 0.00 N ATOM 0 H LYS A 43 0.658 -2.844 -11.266 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.452 -2.870 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.489 -2.685 -11.941 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.377 -4.434 -11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.363 -4.006 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.655 -2.694 -11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.140 -5.022 -12.767 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.236 -5.524 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.891 -3.897 -12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.750 -2.976 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.197 -4.304 -14.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.593 -4.837 -14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.698 -5.728 -13.692 1.00 0.00 H new ATOM 659 N GLU A 44 -0.504 -5.916 -10.127 1.00 0.00 N ATOM 660 CA GLU A 44 -0.383 -7.261 -9.591 1.00 0.00 C ATOM 661 C GLU A 44 0.200 -7.218 -8.177 1.00 0.00 C ATOM 662 O GLU A 44 -0.191 -8.006 -7.316 1.00 0.00 O ATOM 663 CB GLU A 44 0.466 -8.143 -10.508 1.00 0.00 C ATOM 664 CG GLU A 44 -0.343 -8.615 -11.718 1.00 0.00 C ATOM 665 CD GLU A 44 -1.506 -7.663 -12.005 1.00 0.00 C ATOM 666 OE1 GLU A 44 -1.300 -6.595 -12.601 1.00 0.00 O ATOM 667 OE2 GLU A 44 -2.657 -8.068 -11.586 1.00 0.00 O ATOM 0 H GLU A 44 -0.336 -5.840 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.379 -7.701 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.341 -7.587 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.832 -9.006 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.305 -8.677 -12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.727 -9.619 -11.534 1.00 0.00 H new ATOM 675 N MET A 45 1.126 -6.291 -7.981 1.00 0.00 N ATOM 676 CA MET A 45 1.767 -6.135 -6.686 1.00 0.00 C ATOM 677 C MET A 45 0.793 -5.556 -5.658 1.00 0.00 C ATOM 678 O MET A 45 0.557 -6.159 -4.612 1.00 0.00 O ATOM 679 CB MET A 45 2.976 -5.208 -6.823 1.00 0.00 C ATOM 680 CG MET A 45 4.181 -5.763 -6.062 1.00 0.00 C ATOM 681 SD MET A 45 3.922 -5.595 -4.304 1.00 0.00 S ATOM 682 CE MET A 45 5.468 -6.253 -3.699 1.00 0.00 C ATOM 0 H MET A 45 1.448 -5.640 -8.697 1.00 0.00 H new ATOM 0 HA MET A 45 2.089 -7.117 -6.340 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.230 -5.089 -7.876 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.725 -4.218 -6.442 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.331 -6.812 -6.317 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.085 -5.230 -6.357 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.475 -6.222 -2.609 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.580 -7.284 -4.034 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.294 -5.655 -4.084 1.00 0.00 H new ATOM 692 N ALA A 46 0.252 -4.393 -5.992 1.00 0.00 N ATOM 693 CA ALA A 46 -0.691 -3.726 -5.111 1.00 0.00 C ATOM 694 C ALA A 46 -1.804 -4.703 -4.728 1.00 0.00 C ATOM 695 O ALA A 46 -2.098 -4.883 -3.548 1.00 0.00 O ATOM 696 CB ALA A 46 -1.229 -2.469 -5.798 1.00 0.00 C ATOM 0 H ALA A 46 0.449 -3.896 -6.861 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.199 -3.410 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.937 -1.968 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.402 -1.795 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.732 -2.747 -6.724 1.00 0.00 H new ATOM 702 N HIS A 47 -2.393 -5.309 -5.749 1.00 0.00 N ATOM 703 CA HIS A 47 -3.467 -6.263 -5.534 1.00 0.00 C ATOM 704 C HIS A 47 -2.899 -7.546 -4.924 1.00 0.00 C ATOM 705 O HIS A 47 -3.559 -8.199 -4.117 1.00 0.00 O ATOM 706 CB HIS A 47 -4.238 -6.515 -6.832 1.00 0.00 C ATOM 707 CG HIS A 47 -4.801 -5.264 -7.464 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.982 -5.131 -8.830 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.221 -4.094 -6.904 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.488 -3.930 -9.069 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.635 -3.289 -7.875 1.00 0.00 N ATOM 0 H HIS A 47 -2.146 -5.157 -6.727 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.187 -5.852 -4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.576 -7.005 -7.546 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.055 -7.207 -6.629 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.217 -3.862 -5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.740 -3.529 -10.040 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.003 -2.346 -7.748 1.00 0.00 H new ATOM 719 N GLY A 48 -1.681 -7.869 -5.332 1.00 0.00 N ATOM 720 CA GLY A 48 -1.017 -9.062 -4.835 1.00 0.00 C ATOM 721 C GLY A 48 -0.540 -8.865 -3.395 1.00 0.00 C ATOM 722 O GLY A 48 -1.289 -8.374 -2.552 1.00 0.00 O ATOM 0 H GLY A 48 -1.136 -7.325 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.701 -9.909 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.167 -9.302 -5.474 1.00 0.00 H new ATOM 726 N LYS A 49 0.702 -9.258 -3.158 1.00 0.00 N ATOM 727 CA LYS A 49 1.288 -9.130 -1.834 1.00 0.00 C ATOM 728 C LYS A 49 1.909 -7.740 -1.687 1.00 0.00 C ATOM 729 O LYS A 49 2.973 -7.592 -1.088 1.00 0.00 O ATOM 730 CB LYS A 49 2.270 -10.274 -1.570 1.00 0.00 C ATOM 731 CG LYS A 49 3.499 -10.160 -2.473 1.00 0.00 C ATOM 732 CD LYS A 49 4.638 -11.046 -1.964 1.00 0.00 C ATOM 733 CE LYS A 49 4.629 -12.406 -2.664 1.00 0.00 C ATOM 734 NZ LYS A 49 5.863 -12.587 -3.461 1.00 0.00 N ATOM 0 H LYS A 49 1.320 -9.665 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 49 0.518 -9.218 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.579 -10.259 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.775 -11.230 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.235 -10.449 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.831 -9.122 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.594 -10.551 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.541 -11.186 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.547 -13.202 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.756 -12.482 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.841 -13.515 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.925 -11.838 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.692 -12.535 -2.835 1.00 0.00 H new ATOM 747 N GLY A 50 1.217 -6.756 -2.244 1.00 0.00 N ATOM 748 CA GLY A 50 1.688 -5.383 -2.183 1.00 0.00 C ATOM 749 C GLY A 50 0.825 -4.550 -1.233 1.00 0.00 C ATOM 750 O GLY A 50 1.339 -3.932 -0.302 1.00 0.00 O ATOM 0 H GLY A 50 0.334 -6.883 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.725 -5.365 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.667 -4.943 -3.180 1.00 0.00 H new ATOM 754 N CYS A 51 -0.472 -4.559 -1.503 1.00 0.00 N ATOM 755 CA CYS A 51 -1.412 -3.811 -0.684 1.00 0.00 C ATOM 756 C CYS A 51 -2.476 -4.781 -0.167 1.00 0.00 C ATOM 757 O CYS A 51 -2.361 -5.301 0.942 1.00 0.00 O ATOM 758 CB CYS A 51 -2.031 -2.644 -1.456 1.00 0.00 C ATOM 759 SG CYS A 51 -0.832 -1.394 -2.047 1.00 0.00 S ATOM 0 H CYS A 51 -0.894 -5.072 -2.277 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.887 -3.365 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.573 -3.041 -2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.763 -2.151 -0.816 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.464 -0.456 -2.687 1.00 0.00 H new ATOM 764 N LYS A 52 -3.488 -4.996 -0.995 1.00 0.00 N ATOM 765 CA LYS A 52 -4.572 -5.894 -0.635 1.00 0.00 C ATOM 766 C LYS A 52 -3.993 -7.142 0.036 1.00 0.00 C ATOM 767 O LYS A 52 -4.464 -7.557 1.093 1.00 0.00 O ATOM 768 CB LYS A 52 -5.442 -6.200 -1.856 1.00 0.00 C ATOM 769 CG LYS A 52 -6.426 -5.060 -2.127 1.00 0.00 C ATOM 770 CD LYS A 52 -7.832 -5.602 -2.392 1.00 0.00 C ATOM 771 CE LYS A 52 -7.886 -6.363 -3.718 1.00 0.00 C ATOM 772 NZ LYS A 52 -8.821 -5.704 -4.656 1.00 0.00 N ATOM 0 H LYS A 52 -3.580 -4.564 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.235 -5.420 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.808 -6.354 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.990 -7.128 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.448 -4.383 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.088 -4.479 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.131 -6.262 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.545 -4.778 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.890 -6.408 -4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.203 -7.391 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.042 -6.352 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.697 -5.454 -4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.382 -4.841 -5.035 1.00 0.00 H new ATOM 785 N GLY A 53 -2.980 -7.705 -0.608 1.00 0.00 N ATOM 786 CA GLY A 53 -2.332 -8.896 -0.087 1.00 0.00 C ATOM 787 C GLY A 53 -2.329 -8.894 1.443 1.00 0.00 C ATOM 788 O GLY A 53 -3.025 -9.692 2.070 1.00 0.00 O ATOM 0 H GLY A 53 -2.593 -7.358 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.848 -9.784 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.308 -8.948 -0.456 1.00 0.00 H new ATOM 792 N CYS A 54 -1.539 -7.989 2.001 1.00 0.00 N ATOM 793 CA CYS A 54 -1.436 -7.873 3.445 1.00 0.00 C ATOM 794 C CYS A 54 -2.846 -7.707 4.015 1.00 0.00 C ATOM 795 O CYS A 54 -3.197 -8.342 5.008 1.00 0.00 O ATOM 796 CB CYS A 54 -0.515 -6.722 3.856 1.00 0.00 C ATOM 797 SG CYS A 54 -0.112 -6.849 5.637 1.00 0.00 S ATOM 0 H CYS A 54 -0.964 -7.329 1.478 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.984 -8.777 3.854 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.400 -6.749 3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.999 -5.767 3.651 1.00 0.00 H new ATOM 0 HG CYS A 54 0.672 -5.869 5.976 1.00 0.00 H new ATOM 802 N HIS A 55 -3.616 -6.849 3.362 1.00 0.00 N ATOM 803 CA HIS A 55 -4.980 -6.591 3.792 1.00 0.00 C ATOM 804 C HIS A 55 -5.742 -7.913 3.904 1.00 0.00 C ATOM 805 O HIS A 55 -6.034 -8.374 5.006 1.00 0.00 O ATOM 806 CB HIS A 55 -5.664 -5.590 2.858 1.00 0.00 C ATOM 807 CG HIS A 55 -5.130 -4.182 2.971 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.652 -3.122 2.248 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.118 -3.670 3.728 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.976 -2.028 2.565 1.00 0.00 C ATOM 811 NE2 HIS A 55 -4.025 -2.369 3.481 1.00 0.00 N ATOM 0 H HIS A 55 -3.322 -6.324 2.539 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.972 -6.131 4.780 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.548 -5.930 1.829 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.733 -5.581 3.072 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.425 -3.175 1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.497 -4.229 4.413 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.148 -1.039 2.167 1.00 0.00 H new ATOM 819 N GLU A 56 -6.042 -8.486 2.747 1.00 0.00 N ATOM 820 CA GLU A 56 -6.764 -9.746 2.701 1.00 0.00 C ATOM 821 C GLU A 56 -6.025 -10.811 3.513 1.00 0.00 C ATOM 822 O GLU A 56 -6.629 -11.783 3.964 1.00 0.00 O ATOM 823 CB GLU A 56 -6.973 -10.205 1.257 1.00 0.00 C ATOM 824 CG GLU A 56 -5.813 -9.759 0.366 1.00 0.00 C ATOM 825 CD GLU A 56 -5.651 -10.695 -0.834 1.00 0.00 C ATOM 826 OE1 GLU A 56 -6.617 -10.922 -1.578 1.00 0.00 O ATOM 827 OE2 GLU A 56 -4.471 -11.193 -0.982 1.00 0.00 O ATOM 0 H GLU A 56 -5.798 -8.101 1.835 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.748 -9.595 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.063 -11.291 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.908 -9.797 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.989 -8.741 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.890 -9.742 0.946 1.00 0.00 H new ATOM 835 N GLU A 57 -4.728 -10.592 3.676 1.00 0.00 N ATOM 836 CA GLU A 57 -3.900 -11.521 4.426 1.00 0.00 C ATOM 837 C GLU A 57 -4.284 -11.497 5.907 1.00 0.00 C ATOM 838 O GLU A 57 -4.581 -12.537 6.492 1.00 0.00 O ATOM 839 CB GLU A 57 -2.415 -11.206 4.239 1.00 0.00 C ATOM 840 CG GLU A 57 -1.547 -12.124 5.102 1.00 0.00 C ATOM 841 CD GLU A 57 -0.164 -11.511 5.335 1.00 0.00 C ATOM 842 OE1 GLU A 57 0.829 -11.989 4.767 1.00 0.00 O ATOM 843 OE2 GLU A 57 -0.143 -10.502 6.139 1.00 0.00 O ATOM 0 H GLU A 57 -4.230 -9.784 3.301 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.075 -12.526 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.144 -11.324 3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.224 -10.166 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.037 -12.299 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.442 -13.094 4.616 1.00 0.00 H new ATOM 851 N MET A 58 -4.265 -10.298 6.471 1.00 0.00 N ATOM 852 CA MET A 58 -4.607 -10.124 7.873 1.00 0.00 C ATOM 853 C MET A 58 -6.115 -9.938 8.050 1.00 0.00 C ATOM 854 O MET A 58 -6.605 -9.848 9.175 1.00 0.00 O ATOM 855 CB MET A 58 -3.872 -8.904 8.430 1.00 0.00 C ATOM 856 CG MET A 58 -2.356 -9.095 8.356 1.00 0.00 C ATOM 857 SD MET A 58 -1.706 -9.454 9.979 1.00 0.00 S ATOM 858 CE MET A 58 -1.818 -7.836 10.723 1.00 0.00 C ATOM 0 H MET A 58 -4.018 -9.437 5.982 1.00 0.00 H new ATOM 0 HA MET A 58 -4.305 -11.020 8.416 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.158 -8.015 7.868 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.171 -8.736 9.465 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.117 -9.909 7.671 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.887 -8.195 7.958 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.924 -7.646 11.316 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.902 -7.081 9.941 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.697 -7.792 11.367 1.00 0.00 H new ATOM 868 N LYS A 59 -6.809 -9.885 6.923 1.00 0.00 N ATOM 869 CA LYS A 59 -8.252 -9.711 6.939 1.00 0.00 C ATOM 870 C LYS A 59 -8.585 -8.304 7.439 1.00 0.00 C ATOM 871 O LYS A 59 -9.728 -8.024 7.799 1.00 0.00 O ATOM 872 CB LYS A 59 -8.917 -10.825 7.750 1.00 0.00 C ATOM 873 CG LYS A 59 -9.265 -12.019 6.859 1.00 0.00 C ATOM 874 CD LYS A 59 -8.071 -12.965 6.718 1.00 0.00 C ATOM 875 CE LYS A 59 -8.377 -14.329 7.341 1.00 0.00 C ATOM 876 NZ LYS A 59 -7.957 -15.419 6.433 1.00 0.00 N ATOM 0 H LYS A 59 -6.399 -9.959 5.992 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.658 -9.797 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.249 -11.146 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.822 -10.444 8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.113 -12.558 7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.572 -11.665 5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.824 -13.090 5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.197 -12.528 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.860 -14.424 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.444 -14.410 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.172 -16.338 6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.469 -15.337 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.934 -15.350 6.257 1.00 0.00 H new ATOM 889 N LYS A 60 -7.568 -7.456 7.444 1.00 0.00 N ATOM 890 CA LYS A 60 -7.739 -6.084 7.894 1.00 0.00 C ATOM 891 C LYS A 60 -7.390 -5.130 6.750 1.00 0.00 C ATOM 892 O LYS A 60 -6.502 -5.415 5.947 1.00 0.00 O ATOM 893 CB LYS A 60 -6.933 -5.834 9.170 1.00 0.00 C ATOM 894 CG LYS A 60 -7.306 -6.842 10.260 1.00 0.00 C ATOM 895 CD LYS A 60 -8.688 -6.536 10.840 1.00 0.00 C ATOM 896 CE LYS A 60 -8.615 -6.335 12.354 1.00 0.00 C ATOM 897 NZ LYS A 60 -7.904 -5.077 12.676 1.00 0.00 N ATOM 0 H LYS A 60 -6.622 -7.692 7.144 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.779 -5.897 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.868 -5.907 8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.117 -4.821 9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.296 -7.850 9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.560 -6.816 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.093 -5.640 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.372 -7.353 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.621 -6.308 12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.101 -7.179 12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.951 -4.904 13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.909 -5.156 12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.351 -4.286 12.170 1.00 0.00 H new ATOM 910 N GLY A 61 -8.107 -4.017 6.711 1.00 0.00 N ATOM 911 CA GLY A 61 -7.885 -3.019 5.679 1.00 0.00 C ATOM 912 C GLY A 61 -8.866 -3.201 4.519 1.00 0.00 C ATOM 913 O GLY A 61 -9.545 -4.218 4.393 1.00 0.00 O ATOM 0 H GLY A 61 -8.843 -3.784 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.999 -2.021 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.862 -3.094 5.310 1.00 0.00 H new ATOM 917 N PRO A 62 -8.926 -2.178 3.664 1.00 0.00 N ATOM 918 CA PRO A 62 -9.782 -2.137 2.499 1.00 0.00 C ATOM 919 C PRO A 62 -9.301 -3.157 1.476 1.00 0.00 C ATOM 920 O PRO A 62 -8.142 -3.089 1.069 1.00 0.00 O ATOM 921 CB PRO A 62 -9.644 -0.715 1.960 1.00 0.00 C ATOM 922 CG PRO A 62 -8.296 -0.264 2.436 1.00 0.00 C ATOM 923 CD PRO A 62 -8.142 -0.967 3.783 1.00 0.00 C ATOM 0 HA PRO A 62 -10.820 -2.379 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.708 -0.695 0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.436 -0.068 2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.508 -0.551 1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.249 0.820 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.097 -1.192 3.994 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.504 -0.341 4.599 1.00 0.00 H new ATOM 931 N THR A 63 -10.181 -4.068 1.087 1.00 0.00 N ATOM 932 CA THR A 63 -9.823 -5.088 0.116 1.00 0.00 C ATOM 933 C THR A 63 -10.762 -5.030 -1.090 1.00 0.00 C ATOM 934 O THR A 63 -10.523 -5.689 -2.101 1.00 0.00 O ATOM 935 CB THR A 63 -9.830 -6.442 0.827 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.190 -6.624 1.213 1.00 0.00 O ATOM 937 CG2 THR A 63 -9.068 -6.411 2.154 1.00 0.00 C ATOM 0 H THR A 63 -11.141 -4.121 1.427 1.00 0.00 H new ATOM 0 HA THR A 63 -8.823 -4.920 -0.283 1.00 0.00 H new ATOM 0 HB THR A 63 -9.392 -7.197 0.174 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.286 -7.480 1.680 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.104 -7.397 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.030 -6.134 1.971 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.527 -5.680 2.820 1.00 0.00 H new ATOM 945 N LYS A 64 -11.812 -4.234 -0.944 1.00 0.00 N ATOM 946 CA LYS A 64 -12.789 -4.082 -2.009 1.00 0.00 C ATOM 947 C LYS A 64 -12.418 -2.870 -2.866 1.00 0.00 C ATOM 948 O LYS A 64 -11.713 -1.973 -2.407 1.00 0.00 O ATOM 949 CB LYS A 64 -14.205 -4.016 -1.432 1.00 0.00 C ATOM 950 CG LYS A 64 -14.412 -5.092 -0.364 1.00 0.00 C ATOM 951 CD LYS A 64 -14.441 -4.477 1.036 1.00 0.00 C ATOM 952 CE LYS A 64 -14.888 -5.505 2.077 1.00 0.00 C ATOM 953 NZ LYS A 64 -16.266 -5.217 2.532 1.00 0.00 N ATOM 0 H LYS A 64 -12.007 -3.688 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.777 -4.953 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.380 -3.031 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.934 -4.147 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.346 -5.621 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.611 -5.829 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.451 -4.101 1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.119 -3.623 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.842 -6.507 1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.207 -5.489 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.553 -5.924 3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.300 -4.269 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.915 -5.255 1.720 1.00 0.00 H new ATOM 966 N CYS A 65 -12.908 -2.883 -4.097 1.00 0.00 N ATOM 967 CA CYS A 65 -12.637 -1.797 -5.023 1.00 0.00 C ATOM 968 C CYS A 65 -13.410 -0.563 -4.555 1.00 0.00 C ATOM 969 O CYS A 65 -14.387 -0.681 -3.817 1.00 0.00 O ATOM 970 CB CYS A 65 -12.988 -2.179 -6.462 1.00 0.00 C ATOM 971 SG CYS A 65 -12.925 -3.973 -6.817 1.00 0.00 S ATOM 0 H CYS A 65 -13.492 -3.629 -4.475 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.570 -1.576 -5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.990 -1.814 -6.686 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.303 -1.665 -7.137 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.242 -4.181 -8.061 1.00 0.00 H new ATOM 976 N GLY A 66 -12.944 0.594 -5.003 1.00 0.00 N ATOM 977 CA GLY A 66 -13.579 1.849 -4.640 1.00 0.00 C ATOM 978 C GLY A 66 -13.006 2.395 -3.331 1.00 0.00 C ATOM 979 O GLY A 66 -12.877 3.607 -3.163 1.00 0.00 O ATOM 0 H GLY A 66 -12.133 0.688 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.433 2.578 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.654 1.700 -4.537 1.00 0.00 H new ATOM 983 N GLU A 67 -12.677 1.474 -2.436 1.00 0.00 N ATOM 984 CA GLU A 67 -12.120 1.849 -1.147 1.00 0.00 C ATOM 985 C GLU A 67 -10.678 2.333 -1.313 1.00 0.00 C ATOM 986 O GLU A 67 -10.154 3.038 -0.452 1.00 0.00 O ATOM 987 CB GLU A 67 -12.196 0.684 -0.158 1.00 0.00 C ATOM 988 CG GLU A 67 -12.738 1.149 1.195 1.00 0.00 C ATOM 989 CD GLU A 67 -12.782 -0.008 2.195 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.785 -1.180 1.788 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.813 0.344 3.436 1.00 0.00 O ATOM 0 H GLU A 67 -12.785 0.470 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.713 2.668 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.838 -0.099 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.206 0.248 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.110 1.949 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.738 1.562 1.067 1.00 0.00 H new ATOM 999 N CYS A 68 -10.078 1.936 -2.425 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.707 2.321 -2.714 1.00 0.00 C ATOM 1001 C CYS A 68 -8.721 3.301 -3.889 1.00 0.00 C ATOM 1002 O CYS A 68 -8.079 4.349 -3.835 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.825 1.104 -2.997 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.695 0.808 -1.588 1.00 0.00 S ATOM 0 H CYS A 68 -10.516 1.351 -3.137 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.272 2.807 -1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.447 0.225 -3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.249 1.266 -3.908 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.952 -0.229 -1.838 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.459 2.926 -4.923 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.565 3.759 -6.109 1.00 0.00 C ATOM 1011 C HIS A 69 -10.732 4.735 -5.947 1.00 0.00 C ATOM 1012 O HIS A 69 -11.885 4.374 -6.176 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.683 2.898 -7.368 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.518 1.961 -7.582 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.261 2.401 -7.957 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.434 0.604 -7.469 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.464 1.347 -8.062 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.193 0.235 -7.760 1.00 0.00 N ATOM 0 H HIS A 69 -9.990 2.056 -4.964 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.656 4.349 -6.226 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.601 2.313 -7.311 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.775 3.551 -8.236 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.993 3.371 -8.124 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.241 -0.058 -7.190 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.420 1.366 -8.338 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.391 5.954 -5.554 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.396 6.985 -5.360 1.00 0.00 C ATOM 1028 C LYS A 70 -11.140 8.132 -6.339 1.00 0.00 C ATOM 1029 O LYS A 70 -10.090 8.772 -6.291 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.435 7.425 -3.895 1.00 0.00 C ATOM 1031 CG LYS A 70 -10.049 7.859 -3.415 1.00 0.00 C ATOM 1032 CD LYS A 70 -9.189 6.646 -3.054 1.00 0.00 C ATOM 1033 CE LYS A 70 -8.882 6.618 -1.555 1.00 0.00 C ATOM 1034 NZ LYS A 70 -7.765 5.689 -1.273 1.00 0.00 N ATOM 0 H LYS A 70 -9.433 6.250 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.390 6.594 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.139 8.249 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.798 6.605 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.556 8.440 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.148 8.510 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.707 5.731 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.257 6.675 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.625 7.620 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.769 6.309 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.081 4.960 -0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.459 5.235 -2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.969 6.218 -0.862 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.116 8.357 -7.206 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.010 9.415 -8.196 1.00 0.00 C ATOM 1049 C LYS A 71 -13.355 10.135 -8.314 1.00 0.00 C ATOM 1050 O LYS A 71 -13.399 11.350 -8.500 1.00 0.00 O ATOM 1051 CB LYS A 71 -11.492 8.858 -9.523 1.00 0.00 C ATOM 1052 CG LYS A 71 -10.060 9.325 -9.793 1.00 0.00 C ATOM 1053 CD LYS A 71 -9.706 9.178 -11.274 1.00 0.00 C ATOM 1054 CE LYS A 71 -8.998 10.430 -11.795 1.00 0.00 C ATOM 1055 NZ LYS A 71 -7.801 10.059 -12.583 1.00 0.00 N ATOM 0 H LYS A 71 -12.985 7.824 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.277 10.158 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.525 7.769 -9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.143 9.181 -10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.950 10.366 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.364 8.743 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.064 8.308 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.613 9.001 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.682 11.011 -12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.707 11.065 -10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.332 10.921 -12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.142 9.524 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.087 9.471 -13.392 1.00 0.00 H new