USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 29 SER OG : rot 119:sc= 0.353 USER MOD Set 1.2: A 52 MET CE :methyl -173:sc=-0.000176 (180deg=-0.0138) USER MOD Set 2.1: A 24 ASN : amide:sc= -2.61! C(o=-2.1!,f=-15!) USER MOD Set 2.2: A 26 SER OG : rot -51:sc= 0.527 USER MOD Set 2.3: A 62 GLN : amide:sc= 0 X(o=-2.1,f=-2.4) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.432 USER MOD Set 3.2: A 8 GLN : amide:sc= -1.18 K(o=-1.6,f=0.025) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -63:sc= 0.588 USER MOD Single : A 3 ASN : amide:sc= -0.135 X(o=-0.13,f=0.22) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0229) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 157:sc= -0.519 (180deg=-2.24!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 14:sc= -0.523 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00776 USER MOD Single : A 49 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.14) USER MOD Single : A 53 ASN : amide:sc= 0.428 X(o=0.43,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -11.8! C(o=-12!,f=-13!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0211 USER MOD Single : A 72 MET CE :methyl -176:sc= -6.19! (180deg=-6.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.841 0.696 -23.280 1.00 0.00 N ATOM 2 CA SER A 1 -8.011 -0.495 -23.617 1.00 0.00 C ATOM 3 C SER A 1 -8.017 -1.492 -22.454 1.00 0.00 C ATOM 4 O SER A 1 -6.981 -1.868 -21.942 1.00 0.00 O ATOM 5 CB SER A 1 -6.604 0.054 -23.846 1.00 0.00 C ATOM 6 OG SER A 1 -6.552 0.702 -25.109 1.00 0.00 O ATOM 0 H1 SER A 1 -8.829 1.364 -24.077 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.819 0.396 -23.095 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.455 1.160 -22.433 1.00 0.00 H new ATOM 0 HA SER A 1 -8.388 -1.026 -24.491 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.342 0.755 -23.054 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.875 -0.756 -23.810 1.00 0.00 H new ATOM 0 HG SER A 1 -5.651 1.057 -25.258 1.00 0.00 H new ATOM 14 N SER A 2 -9.176 -1.920 -22.035 1.00 0.00 N ATOM 15 CA SER A 2 -9.245 -2.891 -20.904 1.00 0.00 C ATOM 16 C SER A 2 -8.500 -2.339 -19.686 1.00 0.00 C ATOM 17 O SER A 2 -7.291 -2.421 -19.597 1.00 0.00 O ATOM 18 CB SER A 2 -8.562 -4.155 -21.425 1.00 0.00 C ATOM 19 OG SER A 2 -7.911 -4.813 -20.347 1.00 0.00 O ATOM 0 H SER A 2 -10.076 -1.641 -22.425 1.00 0.00 H new ATOM 0 HA SER A 2 -10.270 -3.084 -20.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.297 -4.818 -21.881 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.840 -3.899 -22.200 1.00 0.00 H new ATOM 0 HG SER A 2 -7.202 -4.237 -19.992 1.00 0.00 H new ATOM 25 N ASN A 3 -9.213 -1.779 -18.747 1.00 0.00 N ATOM 26 CA ASN A 3 -8.543 -1.224 -17.535 1.00 0.00 C ATOM 27 C ASN A 3 -8.148 -2.356 -16.583 1.00 0.00 C ATOM 28 O ASN A 3 -7.121 -2.306 -15.936 1.00 0.00 O ATOM 29 CB ASN A 3 -9.589 -0.316 -16.886 1.00 0.00 C ATOM 30 CG ASN A 3 -8.989 1.071 -16.655 1.00 0.00 C ATOM 31 OD1 ASN A 3 -7.849 1.193 -16.253 1.00 0.00 O ATOM 32 ND2 ASN A 3 -9.714 2.129 -16.894 1.00 0.00 N ATOM 0 H ASN A 3 -10.228 -1.682 -18.766 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.629 -0.683 -17.779 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.468 -0.241 -17.526 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.919 -0.743 -15.939 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.324 3.059 -16.743 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.671 2.026 -17.232 1.00 0.00 H new ATOM 39 N LEU A 4 -8.957 -3.376 -16.492 1.00 0.00 N ATOM 40 CA LEU A 4 -8.627 -4.511 -15.581 1.00 0.00 C ATOM 41 C LEU A 4 -9.748 -5.553 -15.608 1.00 0.00 C ATOM 42 O LEU A 4 -10.733 -5.402 -16.304 1.00 0.00 O ATOM 43 CB LEU A 4 -8.511 -3.882 -14.192 1.00 0.00 C ATOM 44 CG LEU A 4 -7.352 -4.528 -13.434 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.112 -3.637 -13.535 1.00 0.00 C ATOM 46 CD2 LEU A 4 -7.737 -4.700 -11.964 1.00 0.00 C ATOM 0 H LEU A 4 -9.831 -3.473 -17.008 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.711 -5.024 -15.874 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.348 -2.808 -14.280 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.441 -4.019 -13.641 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.134 -5.503 -13.870 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.287 -4.099 -12.994 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.836 -3.515 -14.582 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.329 -2.661 -13.101 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.911 -5.161 -11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.957 -3.725 -11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.618 -5.337 -11.891 1.00 0.00 H new ATOM 58 N THR A 5 -9.607 -6.611 -14.856 1.00 0.00 N ATOM 59 CA THR A 5 -10.664 -7.662 -14.840 1.00 0.00 C ATOM 60 C THR A 5 -10.740 -8.318 -13.459 1.00 0.00 C ATOM 61 O THR A 5 -10.011 -7.965 -12.553 1.00 0.00 O ATOM 62 CB THR A 5 -10.228 -8.680 -15.896 1.00 0.00 C ATOM 63 OG1 THR A 5 -9.385 -8.042 -16.845 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.460 -9.245 -16.603 1.00 0.00 C ATOM 0 H THR A 5 -8.805 -6.793 -14.252 1.00 0.00 H new ATOM 0 HA THR A 5 -11.653 -7.255 -15.051 1.00 0.00 H new ATOM 0 HB THR A 5 -9.685 -9.493 -15.415 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.103 -8.692 -17.522 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.148 -9.970 -17.355 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.106 -9.734 -15.874 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.006 -8.435 -17.085 1.00 0.00 H new ATOM 72 N GLU A 6 -11.616 -9.271 -13.291 1.00 0.00 N ATOM 73 CA GLU A 6 -11.737 -9.947 -11.968 1.00 0.00 C ATOM 74 C GLU A 6 -10.421 -10.642 -11.606 1.00 0.00 C ATOM 75 O GLU A 6 -9.945 -10.546 -10.492 1.00 0.00 O ATOM 76 CB GLU A 6 -12.857 -10.974 -12.146 1.00 0.00 C ATOM 77 CG GLU A 6 -12.492 -11.941 -13.275 1.00 0.00 C ATOM 78 CD GLU A 6 -13.764 -12.585 -13.829 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.820 -12.340 -13.268 1.00 0.00 O ATOM 80 OE2 GLU A 6 -13.662 -13.310 -14.803 1.00 0.00 O ATOM 0 H GLU A 6 -12.253 -9.610 -14.012 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.955 -9.244 -11.164 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.011 -11.524 -11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.795 -10.468 -12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.967 -11.409 -14.068 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.815 -12.710 -12.904 1.00 0.00 H new ATOM 87 N GLU A 7 -9.828 -11.337 -12.536 1.00 0.00 N ATOM 88 CA GLU A 7 -8.542 -12.032 -12.239 1.00 0.00 C ATOM 89 C GLU A 7 -7.466 -11.007 -11.876 1.00 0.00 C ATOM 90 O GLU A 7 -6.688 -11.205 -10.965 1.00 0.00 O ATOM 91 CB GLU A 7 -8.176 -12.760 -13.533 1.00 0.00 C ATOM 92 CG GLU A 7 -8.428 -14.260 -13.363 1.00 0.00 C ATOM 93 CD GLU A 7 -7.644 -15.033 -14.426 1.00 0.00 C ATOM 94 OE1 GLU A 7 -6.425 -14.976 -14.393 1.00 0.00 O ATOM 95 OE2 GLU A 7 -8.276 -15.670 -15.253 1.00 0.00 O ATOM 0 H GLU A 7 -10.176 -11.454 -13.487 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.626 -12.719 -11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.769 -12.372 -14.361 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.129 -12.582 -13.780 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.123 -14.580 -12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.493 -14.473 -13.455 1.00 0.00 H new ATOM 102 N GLN A 8 -7.419 -9.907 -12.578 1.00 0.00 N ATOM 103 CA GLN A 8 -6.396 -8.870 -12.266 1.00 0.00 C ATOM 104 C GLN A 8 -6.514 -8.456 -10.797 1.00 0.00 C ATOM 105 O GLN A 8 -5.579 -8.577 -10.031 1.00 0.00 O ATOM 106 CB GLN A 8 -6.726 -7.695 -13.185 1.00 0.00 C ATOM 107 CG GLN A 8 -5.456 -7.244 -13.910 1.00 0.00 C ATOM 108 CD GLN A 8 -5.504 -7.715 -15.365 1.00 0.00 C ATOM 109 OE1 GLN A 8 -4.628 -8.428 -15.814 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.497 -7.344 -16.125 1.00 0.00 N ATOM 0 H GLN A 8 -8.044 -9.683 -13.352 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.378 -9.227 -12.421 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.487 -7.988 -13.909 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.139 -6.870 -12.605 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.368 -6.158 -13.871 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.576 -7.653 -13.413 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.232 -6.746 -15.748 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.539 -7.652 -17.096 1.00 0.00 H new ATOM 119 N ILE A 9 -7.660 -7.977 -10.397 1.00 0.00 N ATOM 120 CA ILE A 9 -7.836 -7.565 -8.977 1.00 0.00 C ATOM 121 C ILE A 9 -7.392 -8.700 -8.051 1.00 0.00 C ATOM 122 O ILE A 9 -6.876 -8.474 -6.976 1.00 0.00 O ATOM 123 CB ILE A 9 -9.335 -7.301 -8.822 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.753 -6.166 -9.759 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.636 -6.904 -7.376 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.239 -5.862 -9.563 1.00 0.00 C ATOM 0 H ILE A 9 -8.480 -7.854 -10.991 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.243 -6.687 -8.720 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.890 -8.204 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.159 -5.275 -9.555 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.562 -6.447 -10.795 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.704 -6.716 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.339 -7.712 -6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.080 -6.001 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.536 -5.053 -10.231 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.825 -6.753 -9.788 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.416 -5.563 -8.530 1.00 0.00 H new ATOM 138 N ALA A 10 -7.586 -9.922 -8.469 1.00 0.00 N ATOM 139 CA ALA A 10 -7.172 -11.076 -7.621 1.00 0.00 C ATOM 140 C ALA A 10 -5.650 -11.091 -7.467 1.00 0.00 C ATOM 141 O ALA A 10 -5.123 -10.891 -6.390 1.00 0.00 O ATOM 142 CB ALA A 10 -7.649 -12.314 -8.382 1.00 0.00 C ATOM 0 H ALA A 10 -8.013 -10.171 -9.361 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.593 -11.029 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.382 -13.210 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.731 -12.271 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.174 -12.344 -9.363 1.00 0.00 H new ATOM 148 N GLU A 11 -4.938 -11.320 -8.537 1.00 0.00 N ATOM 149 CA GLU A 11 -3.451 -11.340 -8.449 1.00 0.00 C ATOM 150 C GLU A 11 -2.956 -10.083 -7.732 1.00 0.00 C ATOM 151 O GLU A 11 -1.941 -10.093 -7.064 1.00 0.00 O ATOM 152 CB GLU A 11 -2.966 -11.360 -9.898 1.00 0.00 C ATOM 153 CG GLU A 11 -2.573 -12.787 -10.286 1.00 0.00 C ATOM 154 CD GLU A 11 -1.238 -12.763 -11.035 1.00 0.00 C ATOM 155 OE1 GLU A 11 -1.011 -11.817 -11.769 1.00 0.00 O ATOM 156 OE2 GLU A 11 -0.468 -13.693 -10.861 1.00 0.00 O ATOM 0 H GLU A 11 -5.321 -11.494 -9.466 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.079 -12.197 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.751 -10.995 -10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.113 -10.692 -10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.491 -13.408 -9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.346 -13.231 -10.913 1.00 0.00 H new ATOM 163 N PHE A 12 -3.671 -8.998 -7.863 1.00 0.00 N ATOM 164 CA PHE A 12 -3.249 -7.739 -7.187 1.00 0.00 C ATOM 165 C PHE A 12 -3.323 -7.912 -5.669 1.00 0.00 C ATOM 166 O PHE A 12 -2.415 -7.550 -4.948 1.00 0.00 O ATOM 167 CB PHE A 12 -4.249 -6.682 -7.656 1.00 0.00 C ATOM 168 CG PHE A 12 -3.833 -6.151 -9.007 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.499 -7.039 -10.037 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.782 -4.769 -9.230 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.116 -6.545 -11.290 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.400 -4.276 -10.483 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.066 -5.163 -11.513 1.00 0.00 C ATOM 0 H PHE A 12 -4.530 -8.930 -8.409 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.223 -7.461 -7.428 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.248 -7.114 -7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.297 -5.867 -6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.537 -8.105 -9.865 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.037 -4.084 -8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.859 -7.230 -12.085 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.363 -3.210 -10.655 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.770 -4.782 -12.479 1.00 0.00 H new ATOM 183 N LYS A 13 -4.399 -8.465 -5.179 1.00 0.00 N ATOM 184 CA LYS A 13 -4.528 -8.665 -3.707 1.00 0.00 C ATOM 185 C LYS A 13 -3.369 -9.519 -3.193 1.00 0.00 C ATOM 186 O LYS A 13 -2.714 -9.179 -2.228 1.00 0.00 O ATOM 187 CB LYS A 13 -5.858 -9.394 -3.520 1.00 0.00 C ATOM 188 CG LYS A 13 -5.923 -9.984 -2.110 1.00 0.00 C ATOM 189 CD LYS A 13 -6.007 -8.852 -1.085 1.00 0.00 C ATOM 190 CE LYS A 13 -6.764 -9.339 0.153 1.00 0.00 C ATOM 191 NZ LYS A 13 -5.734 -10.005 0.998 1.00 0.00 N ATOM 0 H LYS A 13 -5.193 -8.786 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.501 -7.725 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.688 -8.705 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.958 -10.186 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.791 -10.637 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.041 -10.596 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.005 -8.524 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.515 -7.991 -1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.231 -8.508 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.560 -10.032 -0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.189 -10.425 1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.264 -10.752 0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.029 -9.304 1.303 1.00 0.00 H new ATOM 205 N GLU A 14 -3.105 -10.625 -3.834 1.00 0.00 N ATOM 206 CA GLU A 14 -1.983 -11.496 -3.383 1.00 0.00 C ATOM 207 C GLU A 14 -0.687 -10.685 -3.325 1.00 0.00 C ATOM 208 O GLU A 14 0.138 -10.875 -2.453 1.00 0.00 O ATOM 209 CB GLU A 14 -1.882 -12.594 -4.442 1.00 0.00 C ATOM 210 CG GLU A 14 -2.729 -13.794 -4.017 1.00 0.00 C ATOM 211 CD GLU A 14 -1.893 -14.720 -3.130 1.00 0.00 C ATOM 212 OE1 GLU A 14 -0.689 -14.529 -3.077 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.471 -15.603 -2.518 1.00 0.00 O ATOM 0 H GLU A 14 -3.617 -10.963 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.150 -11.908 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.225 -12.217 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.843 -12.896 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.613 -13.456 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.080 -14.334 -4.896 1.00 0.00 H new ATOM 220 N ALA A 15 -0.504 -9.779 -4.247 1.00 0.00 N ATOM 221 CA ALA A 15 0.735 -8.950 -4.245 1.00 0.00 C ATOM 222 C ALA A 15 0.680 -7.927 -3.108 1.00 0.00 C ATOM 223 O ALA A 15 1.405 -8.022 -2.138 1.00 0.00 O ATOM 224 CB ALA A 15 0.741 -8.246 -5.601 1.00 0.00 C ATOM 0 H ALA A 15 -1.159 -9.577 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 15 1.634 -9.547 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.625 -7.613 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.756 -8.990 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.154 -7.631 -5.696 1.00 0.00 H new ATOM 230 N PHE A 16 -0.178 -6.950 -3.220 1.00 0.00 N ATOM 231 CA PHE A 16 -0.285 -5.922 -2.146 1.00 0.00 C ATOM 232 C PHE A 16 -0.226 -6.585 -0.767 1.00 0.00 C ATOM 233 O PHE A 16 0.509 -6.166 0.105 1.00 0.00 O ATOM 234 CB PHE A 16 -1.646 -5.265 -2.368 1.00 0.00 C ATOM 235 CG PHE A 16 -1.819 -4.118 -1.402 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.352 -2.841 -1.740 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.449 -4.329 -0.170 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.513 -1.778 -0.844 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.611 -3.266 0.726 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.143 -1.990 0.388 1.00 0.00 C ATOM 0 H PHE A 16 -0.810 -6.819 -4.010 1.00 0.00 H new ATOM 0 HA PHE A 16 0.530 -5.199 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.724 -4.905 -3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.442 -5.996 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.868 -2.677 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.810 -5.313 0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.151 -0.794 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.096 -3.430 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.268 -1.169 1.078 1.00 0.00 H new ATOM 250 N ALA A 17 -0.998 -7.618 -0.564 1.00 0.00 N ATOM 251 CA ALA A 17 -0.990 -8.306 0.758 1.00 0.00 C ATOM 252 C ALA A 17 0.335 -9.049 0.965 1.00 0.00 C ATOM 253 O ALA A 17 0.749 -9.296 2.079 1.00 0.00 O ATOM 254 CB ALA A 17 -2.154 -9.295 0.696 1.00 0.00 C ATOM 0 H ALA A 17 -1.633 -8.015 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.092 -7.605 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.216 -9.843 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.085 -8.752 0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.993 -9.996 -0.123 1.00 0.00 H new ATOM 260 N LEU A 18 0.999 -9.406 -0.100 1.00 0.00 N ATOM 261 CA LEU A 18 2.294 -10.133 0.042 1.00 0.00 C ATOM 262 C LEU A 18 3.292 -9.287 0.838 1.00 0.00 C ATOM 263 O LEU A 18 4.271 -9.788 1.354 1.00 0.00 O ATOM 264 CB LEU A 18 2.791 -10.343 -1.389 1.00 0.00 C ATOM 265 CG LEU A 18 3.099 -11.825 -1.610 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.101 -12.129 -3.109 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.476 -12.151 -1.023 1.00 0.00 C ATOM 0 H LEU A 18 0.703 -9.227 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 18 2.180 -11.076 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.036 -10.008 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.685 -9.745 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 18 2.339 -12.431 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.321 -13.185 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.123 -11.896 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.861 -11.523 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.698 -13.207 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.235 -11.544 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.477 -11.935 0.045 1.00 0.00 H new ATOM 279 N PHE A 19 3.051 -8.008 0.944 1.00 0.00 N ATOM 280 CA PHE A 19 3.988 -7.136 1.710 1.00 0.00 C ATOM 281 C PHE A 19 3.233 -6.391 2.814 1.00 0.00 C ATOM 282 O PHE A 19 3.745 -5.467 3.415 1.00 0.00 O ATOM 283 CB PHE A 19 4.544 -6.149 0.682 1.00 0.00 C ATOM 284 CG PHE A 19 4.963 -6.897 -0.560 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.024 -7.174 -1.560 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.290 -7.315 -0.713 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.411 -7.867 -2.713 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.679 -8.008 -1.866 1.00 0.00 C ATOM 289 CZ PHE A 19 5.738 -8.284 -2.866 1.00 0.00 C ATOM 0 H PHE A 19 2.248 -7.530 0.535 1.00 0.00 H new ATOM 0 HA PHE A 19 4.779 -7.707 2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.789 -5.403 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.395 -5.613 1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.000 -6.853 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.015 -7.103 0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.686 -8.080 -3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.703 -8.329 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.037 -8.819 -3.755 1.00 0.00 H new ATOM 299 N ASP A 20 2.018 -6.784 3.085 1.00 0.00 N ATOM 300 CA ASP A 20 1.232 -6.099 4.151 1.00 0.00 C ATOM 301 C ASP A 20 1.722 -6.535 5.534 1.00 0.00 C ATOM 302 O ASP A 20 1.080 -7.312 6.213 1.00 0.00 O ATOM 303 CB ASP A 20 -0.213 -6.547 3.926 1.00 0.00 C ATOM 304 CG ASP A 20 -0.325 -8.051 4.178 1.00 0.00 C ATOM 305 OD1 ASP A 20 0.705 -8.683 4.346 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.440 -8.547 4.199 1.00 0.00 O ATOM 0 H ASP A 20 1.536 -7.550 2.614 1.00 0.00 H new ATOM 0 HA ASP A 20 1.334 -5.015 4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.882 -6.005 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.523 -6.314 2.907 1.00 0.00 H new ATOM 311 N LYS A 21 2.854 -6.041 5.956 1.00 0.00 N ATOM 312 CA LYS A 21 3.382 -6.429 7.296 1.00 0.00 C ATOM 313 C LYS A 21 2.282 -6.307 8.354 1.00 0.00 C ATOM 314 O LYS A 21 2.045 -7.216 9.123 1.00 0.00 O ATOM 315 CB LYS A 21 4.512 -5.438 7.578 1.00 0.00 C ATOM 316 CG LYS A 21 5.440 -6.012 8.649 1.00 0.00 C ATOM 317 CD LYS A 21 6.553 -5.007 8.951 1.00 0.00 C ATOM 318 CE LYS A 21 7.887 -5.747 9.083 1.00 0.00 C ATOM 319 NZ LYS A 21 7.894 -6.284 10.472 1.00 0.00 N ATOM 0 H LYS A 21 3.435 -5.387 5.432 1.00 0.00 H new ATOM 0 HA LYS A 21 3.731 -7.461 7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.073 -5.240 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.100 -4.486 7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.876 -6.229 9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.869 -6.954 8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.614 -4.265 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.331 -4.468 9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.968 -6.549 8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.729 -5.076 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.779 -6.805 10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.823 -5.497 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.085 -6.925 10.600 1.00 0.00 H new ATOM 333 N ASP A 22 1.611 -5.189 8.399 1.00 0.00 N ATOM 334 CA ASP A 22 0.527 -5.010 9.407 1.00 0.00 C ATOM 335 C ASP A 22 -0.490 -6.150 9.298 1.00 0.00 C ATOM 336 O ASP A 22 -1.175 -6.477 10.246 1.00 0.00 O ATOM 337 CB ASP A 22 -0.125 -3.673 9.055 1.00 0.00 C ATOM 338 CG ASP A 22 0.297 -2.615 10.077 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.626 -2.992 11.190 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.285 -1.446 9.728 1.00 0.00 O ATOM 0 H ASP A 22 1.766 -4.392 7.782 1.00 0.00 H new ATOM 0 HA ASP A 22 0.907 -5.021 10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.172 -3.364 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.210 -3.776 9.049 1.00 0.00 H new ATOM 345 N ASN A 23 -0.595 -6.755 8.147 1.00 0.00 N ATOM 346 CA ASN A 23 -1.568 -7.872 7.977 1.00 0.00 C ATOM 347 C ASN A 23 -3.001 -7.350 8.107 1.00 0.00 C ATOM 348 O ASN A 23 -3.906 -8.074 8.472 1.00 0.00 O ATOM 349 CB ASN A 23 -1.248 -8.851 9.108 1.00 0.00 C ATOM 350 CG ASN A 23 -1.200 -10.275 8.553 1.00 0.00 C ATOM 351 OD1 ASN A 23 -2.221 -10.916 8.405 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.049 -10.801 8.236 1.00 0.00 N ATOM 0 H ASN A 23 -0.049 -6.525 7.317 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.490 -8.342 6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.292 -8.595 9.565 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.004 -8.780 9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.007 -11.750 7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.809 -10.263 8.360 1.00 0.00 H new ATOM 359 N ASN A 24 -3.214 -6.096 7.813 1.00 0.00 N ATOM 360 CA ASN A 24 -4.590 -5.528 7.921 1.00 0.00 C ATOM 361 C ASN A 24 -5.090 -5.090 6.542 1.00 0.00 C ATOM 362 O ASN A 24 -6.211 -4.648 6.389 1.00 0.00 O ATOM 363 CB ASN A 24 -4.448 -4.322 8.849 1.00 0.00 C ATOM 364 CG ASN A 24 -3.426 -3.345 8.265 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.927 -3.548 7.175 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.088 -2.286 8.949 1.00 0.00 N ATOM 0 H ASN A 24 -2.497 -5.441 7.503 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.308 -6.253 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.412 -3.827 8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.131 -4.648 9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.406 -1.630 8.569 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.506 -2.115 9.864 1.00 0.00 H new ATOM 373 N GLY A 25 -4.266 -5.209 5.536 1.00 0.00 N ATOM 374 CA GLY A 25 -4.695 -4.799 4.169 1.00 0.00 C ATOM 375 C GLY A 25 -4.055 -3.457 3.812 1.00 0.00 C ATOM 376 O GLY A 25 -4.594 -2.685 3.043 1.00 0.00 O ATOM 0 H GLY A 25 -3.315 -5.572 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.403 -5.557 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.781 -4.718 4.127 1.00 0.00 H new ATOM 380 N SER A 26 -2.908 -3.170 4.365 1.00 0.00 N ATOM 381 CA SER A 26 -2.234 -1.875 4.056 1.00 0.00 C ATOM 382 C SER A 26 -0.725 -2.087 3.909 1.00 0.00 C ATOM 383 O SER A 26 -0.158 -3.000 4.476 1.00 0.00 O ATOM 384 CB SER A 26 -2.535 -0.977 5.254 1.00 0.00 C ATOM 385 OG SER A 26 -1.972 -1.552 6.426 1.00 0.00 O ATOM 0 H SER A 26 -2.408 -3.775 5.017 1.00 0.00 H new ATOM 0 HA SER A 26 -2.586 -1.438 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.123 0.018 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.612 -0.860 5.374 1.00 0.00 H new ATOM 0 HG SER A 26 -2.249 -2.490 6.496 1.00 0.00 H new ATOM 391 N ILE A 27 -0.071 -1.252 3.149 1.00 0.00 N ATOM 392 CA ILE A 27 1.401 -1.407 2.966 1.00 0.00 C ATOM 393 C ILE A 27 2.066 -0.034 2.839 1.00 0.00 C ATOM 394 O ILE A 27 1.484 0.902 2.328 1.00 0.00 O ATOM 395 CB ILE A 27 1.557 -2.200 1.669 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.230 -1.296 0.476 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.599 -3.392 1.680 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.455 -2.064 -0.828 1.00 0.00 C ATOM 0 H ILE A 27 -0.491 -0.470 2.647 1.00 0.00 H new ATOM 0 HA ILE A 27 1.871 -1.910 3.811 1.00 0.00 H new ATOM 0 HB ILE A 27 2.583 -2.559 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.196 -0.957 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.859 -0.406 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.711 -3.957 0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.829 -4.036 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.427 -3.034 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.222 -1.419 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.496 -2.380 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.807 -2.941 -0.850 1.00 0.00 H new ATOM 410 N SER A 28 3.281 0.093 3.296 1.00 0.00 N ATOM 411 CA SER A 28 3.980 1.405 3.195 1.00 0.00 C ATOM 412 C SER A 28 4.320 1.705 1.733 1.00 0.00 C ATOM 413 O SER A 28 4.535 0.810 0.940 1.00 0.00 O ATOM 414 CB SER A 28 5.256 1.239 4.020 1.00 0.00 C ATOM 415 OG SER A 28 5.539 2.457 4.697 1.00 0.00 O ATOM 0 H SER A 28 3.820 -0.654 3.735 1.00 0.00 H new ATOM 0 HA SER A 28 3.368 2.231 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.135 0.429 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.089 0.968 3.372 1.00 0.00 H new ATOM 0 HG SER A 28 6.356 2.354 5.229 1.00 0.00 H new ATOM 421 N SER A 29 4.371 2.957 1.368 1.00 0.00 N ATOM 422 CA SER A 29 4.696 3.307 -0.044 1.00 0.00 C ATOM 423 C SER A 29 5.853 2.440 -0.548 1.00 0.00 C ATOM 424 O SER A 29 5.799 1.886 -1.628 1.00 0.00 O ATOM 425 CB SER A 29 5.104 4.780 -0.004 1.00 0.00 C ATOM 426 OG SER A 29 6.276 4.965 -0.787 1.00 0.00 O ATOM 0 H SER A 29 4.202 3.751 1.985 1.00 0.00 H new ATOM 0 HA SER A 29 3.856 3.137 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.296 5.403 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.287 5.091 1.025 1.00 0.00 H new ATOM 0 HG SER A 29 6.087 5.591 -1.517 1.00 0.00 H new ATOM 432 N SER A 30 6.897 2.318 0.224 1.00 0.00 N ATOM 433 CA SER A 30 8.052 1.484 -0.214 1.00 0.00 C ATOM 434 C SER A 30 7.570 0.091 -0.624 1.00 0.00 C ATOM 435 O SER A 30 8.092 -0.513 -1.541 1.00 0.00 O ATOM 436 CB SER A 30 8.965 1.398 1.009 1.00 0.00 C ATOM 437 OG SER A 30 9.503 0.086 1.101 1.00 0.00 O ATOM 0 H SER A 30 7.001 2.759 1.138 1.00 0.00 H new ATOM 0 HA SER A 30 8.566 1.909 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.770 2.129 0.929 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.405 1.638 1.913 1.00 0.00 H new ATOM 0 HG SER A 30 10.090 0.027 1.883 1.00 0.00 H new ATOM 443 N GLU A 31 6.575 -0.423 0.047 1.00 0.00 N ATOM 444 CA GLU A 31 6.058 -1.776 -0.304 1.00 0.00 C ATOM 445 C GLU A 31 5.213 -1.703 -1.580 1.00 0.00 C ATOM 446 O GLU A 31 5.227 -2.602 -2.397 1.00 0.00 O ATOM 447 CB GLU A 31 5.196 -2.192 0.887 1.00 0.00 C ATOM 448 CG GLU A 31 5.969 -1.952 2.186 1.00 0.00 C ATOM 449 CD GLU A 31 5.971 -3.233 3.023 1.00 0.00 C ATOM 450 OE1 GLU A 31 6.829 -4.069 2.789 1.00 0.00 O ATOM 451 OE2 GLU A 31 5.115 -3.357 3.882 1.00 0.00 O ATOM 0 H GLU A 31 6.098 0.036 0.823 1.00 0.00 H new ATOM 0 HA GLU A 31 6.860 -2.489 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.267 -1.622 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.924 -3.244 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.992 -1.650 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.512 -1.138 2.749 1.00 0.00 H new ATOM 458 N LEU A 32 4.480 -0.638 -1.757 1.00 0.00 N ATOM 459 CA LEU A 32 3.638 -0.511 -2.981 1.00 0.00 C ATOM 460 C LEU A 32 4.515 -0.600 -4.233 1.00 0.00 C ATOM 461 O LEU A 32 4.093 -1.082 -5.264 1.00 0.00 O ATOM 462 CB LEU A 32 2.988 0.869 -2.877 1.00 0.00 C ATOM 463 CG LEU A 32 2.310 1.215 -4.203 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.363 0.081 -4.603 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.512 2.511 -4.044 1.00 0.00 C ATOM 0 H LEU A 32 4.427 0.148 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 32 2.894 -1.304 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.256 0.878 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.740 1.620 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 32 3.068 1.346 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.879 0.327 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.929 -0.844 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.605 -0.049 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.028 2.759 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.754 2.379 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.185 3.320 -3.758 1.00 0.00 H new ATOM 477 N ALA A 33 5.735 -0.145 -4.148 1.00 0.00 N ATOM 478 CA ALA A 33 6.636 -0.213 -5.332 1.00 0.00 C ATOM 479 C ALA A 33 6.870 -1.674 -5.722 1.00 0.00 C ATOM 480 O ALA A 33 6.800 -2.039 -6.879 1.00 0.00 O ATOM 481 CB ALA A 33 7.941 0.440 -4.878 1.00 0.00 C ATOM 0 H ALA A 33 6.146 0.270 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 33 6.217 0.289 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.658 0.428 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.748 1.470 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.349 -0.112 -4.031 1.00 0.00 H new ATOM 487 N THR A 34 7.141 -2.514 -4.760 1.00 0.00 N ATOM 488 CA THR A 34 7.373 -3.952 -5.075 1.00 0.00 C ATOM 489 C THR A 34 6.109 -4.558 -5.691 1.00 0.00 C ATOM 490 O THR A 34 6.110 -5.002 -6.822 1.00 0.00 O ATOM 491 CB THR A 34 7.681 -4.610 -3.730 1.00 0.00 C ATOM 492 OG1 THR A 34 8.949 -4.164 -3.267 1.00 0.00 O ATOM 493 CG2 THR A 34 7.704 -6.130 -3.901 1.00 0.00 C ATOM 0 H THR A 34 7.212 -2.267 -3.773 1.00 0.00 H new ATOM 0 HA THR A 34 8.183 -4.096 -5.790 1.00 0.00 H new ATOM 0 HB THR A 34 6.913 -4.339 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.148 -4.583 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.924 -6.601 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.732 -6.471 -4.258 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.473 -6.403 -4.624 1.00 0.00 H new ATOM 501 N VAL A 35 5.028 -4.571 -4.959 1.00 0.00 N ATOM 502 CA VAL A 35 3.765 -5.142 -5.509 1.00 0.00 C ATOM 503 C VAL A 35 3.544 -4.624 -6.933 1.00 0.00 C ATOM 504 O VAL A 35 3.026 -5.318 -7.787 1.00 0.00 O ATOM 505 CB VAL A 35 2.661 -4.636 -4.579 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.901 -5.166 -3.165 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.674 -3.107 -4.557 1.00 0.00 C ATOM 0 H VAL A 35 4.965 -4.212 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 35 3.785 -6.231 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 35 1.694 -4.987 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.114 -4.805 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.892 -6.256 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.868 -4.815 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.887 -2.746 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.641 -2.757 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.503 -2.727 -5.564 1.00 0.00 H new ATOM 517 N MET A 36 3.935 -3.406 -7.190 1.00 0.00 N ATOM 518 CA MET A 36 3.754 -2.828 -8.553 1.00 0.00 C ATOM 519 C MET A 36 4.505 -3.666 -9.592 1.00 0.00 C ATOM 520 O MET A 36 3.916 -4.214 -10.503 1.00 0.00 O ATOM 521 CB MET A 36 4.347 -1.422 -8.464 1.00 0.00 C ATOM 522 CG MET A 36 3.935 -0.613 -9.696 1.00 0.00 C ATOM 523 SD MET A 36 2.129 -0.526 -9.782 1.00 0.00 S ATOM 524 CE MET A 36 1.878 0.456 -8.283 1.00 0.00 C ATOM 0 H MET A 36 4.374 -2.783 -6.512 1.00 0.00 H new ATOM 0 HA MET A 36 2.708 -2.812 -8.860 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.999 -0.926 -7.558 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.434 -1.478 -8.400 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.356 0.391 -9.643 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.331 -1.078 -10.599 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.920 0.972 -8.342 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.884 -0.200 -7.413 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.679 1.189 -8.190 1.00 0.00 H new ATOM 534 N ARG A 37 5.799 -3.769 -9.466 1.00 0.00 N ATOM 535 CA ARG A 37 6.583 -4.569 -10.450 1.00 0.00 C ATOM 536 C ARG A 37 6.286 -6.063 -10.281 1.00 0.00 C ATOM 537 O ARG A 37 6.549 -6.860 -11.157 1.00 0.00 O ATOM 538 CB ARG A 37 8.048 -4.275 -10.122 1.00 0.00 C ATOM 539 CG ARG A 37 8.511 -3.047 -10.909 1.00 0.00 C ATOM 540 CD ARG A 37 9.959 -3.248 -11.363 1.00 0.00 C ATOM 541 NE ARG A 37 10.759 -3.245 -10.108 1.00 0.00 N ATOM 542 CZ ARG A 37 11.750 -2.408 -9.968 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.818 -2.532 -10.708 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.675 -1.448 -9.087 1.00 0.00 N ATOM 0 H ARG A 37 6.348 -3.334 -8.724 1.00 0.00 H new ATOM 0 HA ARG A 37 6.334 -4.312 -11.480 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.164 -4.100 -9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.668 -5.136 -10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.866 -2.891 -11.774 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.434 -2.154 -10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.076 -4.187 -11.904 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.276 -2.451 -12.035 1.00 0.00 H new ATOM 0 HE ARG A 37 10.533 -3.897 -9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.878 -3.283 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.593 -1.878 -10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.841 -1.352 -8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.450 -0.794 -8.978 1.00 0.00 H new ATOM 558 N SER A 38 5.741 -6.446 -9.158 1.00 0.00 N ATOM 559 CA SER A 38 5.432 -7.887 -8.932 1.00 0.00 C ATOM 560 C SER A 38 4.288 -8.338 -9.844 1.00 0.00 C ATOM 561 O SER A 38 4.264 -9.457 -10.317 1.00 0.00 O ATOM 562 CB SER A 38 5.017 -7.978 -7.465 1.00 0.00 C ATOM 563 OG SER A 38 6.165 -8.229 -6.666 1.00 0.00 O ATOM 0 H SER A 38 5.497 -5.824 -8.388 1.00 0.00 H new ATOM 0 HA SER A 38 6.284 -8.529 -9.156 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.538 -7.050 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.285 -8.775 -7.331 1.00 0.00 H new ATOM 0 HG SER A 38 5.902 -8.286 -5.724 1.00 0.00 H new ATOM 569 N LEU A 39 3.341 -7.478 -10.093 1.00 0.00 N ATOM 570 CA LEU A 39 2.200 -7.865 -10.973 1.00 0.00 C ATOM 571 C LEU A 39 2.707 -8.187 -12.382 1.00 0.00 C ATOM 572 O LEU A 39 2.124 -8.980 -13.094 1.00 0.00 O ATOM 573 CB LEU A 39 1.278 -6.644 -11.000 1.00 0.00 C ATOM 574 CG LEU A 39 0.420 -6.616 -9.733 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.626 -5.508 -9.850 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.289 -7.963 -9.565 1.00 0.00 C ATOM 0 H LEU A 39 3.306 -6.526 -9.727 1.00 0.00 H new ATOM 0 HA LEU A 39 1.683 -8.753 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.870 -5.731 -11.070 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.639 -6.678 -11.882 1.00 0.00 H new ATOM 0 HG LEU A 39 1.058 -6.428 -8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.237 -5.488 -8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.126 -4.547 -9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.262 -5.698 -10.715 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.900 -7.943 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.926 -8.149 -10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.453 -8.757 -9.483 1.00 0.00 H new ATOM 588 N GLY A 40 3.789 -7.581 -12.787 1.00 0.00 N ATOM 589 CA GLY A 40 4.330 -7.859 -14.149 1.00 0.00 C ATOM 590 C GLY A 40 4.556 -6.542 -14.893 1.00 0.00 C ATOM 591 O GLY A 40 4.412 -6.466 -16.097 1.00 0.00 O ATOM 0 H GLY A 40 4.321 -6.907 -12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.267 -8.410 -14.073 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.635 -8.488 -14.706 1.00 0.00 H new ATOM 595 N LEU A 41 4.910 -5.502 -14.188 1.00 0.00 N ATOM 596 CA LEU A 41 5.146 -4.192 -14.861 1.00 0.00 C ATOM 597 C LEU A 41 6.417 -3.536 -14.313 1.00 0.00 C ATOM 598 O LEU A 41 7.068 -4.063 -13.432 1.00 0.00 O ATOM 599 CB LEU A 41 3.918 -3.345 -14.527 1.00 0.00 C ATOM 600 CG LEU A 41 3.583 -3.490 -13.042 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.312 -2.110 -12.441 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.338 -4.367 -12.886 1.00 0.00 C ATOM 0 H LEU A 41 5.046 -5.502 -13.177 1.00 0.00 H new ATOM 0 HA LEU A 41 5.284 -4.301 -15.937 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.109 -2.299 -14.767 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.070 -3.661 -15.134 1.00 0.00 H new ATOM 0 HG LEU A 41 4.423 -3.952 -12.523 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.073 -2.215 -11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.197 -1.484 -12.553 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.472 -1.646 -12.958 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.097 -4.472 -11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.499 -3.903 -13.405 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.530 -5.351 -13.314 1.00 0.00 H new ATOM 614 N SER A 42 6.774 -2.392 -14.826 1.00 0.00 N ATOM 615 CA SER A 42 8.002 -1.704 -14.335 1.00 0.00 C ATOM 616 C SER A 42 8.056 -0.271 -14.870 1.00 0.00 C ATOM 617 O SER A 42 8.648 -0.013 -15.899 1.00 0.00 O ATOM 618 CB SER A 42 9.165 -2.527 -14.888 1.00 0.00 C ATOM 619 OG SER A 42 9.365 -3.669 -14.065 1.00 0.00 O ATOM 0 H SER A 42 6.269 -1.903 -15.565 1.00 0.00 H new ATOM 0 HA SER A 42 8.031 -1.637 -13.247 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.953 -2.835 -15.912 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.072 -1.923 -14.918 1.00 0.00 H new ATOM 0 HG SER A 42 8.588 -3.791 -13.480 1.00 0.00 H new ATOM 625 N PRO A 43 7.431 0.616 -14.145 1.00 0.00 N ATOM 626 CA PRO A 43 7.401 2.045 -14.546 1.00 0.00 C ATOM 627 C PRO A 43 8.772 2.690 -14.324 1.00 0.00 C ATOM 628 O PRO A 43 9.779 2.016 -14.238 1.00 0.00 O ATOM 629 CB PRO A 43 6.355 2.654 -13.617 1.00 0.00 C ATOM 630 CG PRO A 43 6.328 1.757 -12.422 1.00 0.00 C ATOM 631 CD PRO A 43 6.698 0.376 -12.897 1.00 0.00 C ATOM 0 HA PRO A 43 7.164 2.191 -15.600 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.621 3.674 -13.339 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.378 2.699 -14.099 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.030 2.104 -11.664 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.339 1.755 -11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.315 -0.146 -12.166 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.814 -0.239 -13.065 1.00 0.00 H new ATOM 639 N SER A 44 8.819 3.991 -14.231 1.00 0.00 N ATOM 640 CA SER A 44 10.127 4.676 -14.016 1.00 0.00 C ATOM 641 C SER A 44 9.994 5.740 -12.923 1.00 0.00 C ATOM 642 O SER A 44 8.909 6.055 -12.479 1.00 0.00 O ATOM 643 CB SER A 44 10.459 5.325 -15.359 1.00 0.00 C ATOM 644 OG SER A 44 9.795 4.619 -16.399 1.00 0.00 O ATOM 0 H SER A 44 8.010 4.609 -14.294 1.00 0.00 H new ATOM 0 HA SER A 44 10.907 3.986 -13.693 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.149 6.370 -15.358 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.536 5.313 -15.526 1.00 0.00 H new ATOM 0 HG SER A 44 10.005 5.034 -17.262 1.00 0.00 H new ATOM 650 N GLU A 45 11.092 6.295 -12.487 1.00 0.00 N ATOM 651 CA GLU A 45 11.029 7.338 -11.423 1.00 0.00 C ATOM 652 C GLU A 45 9.898 8.327 -11.720 1.00 0.00 C ATOM 653 O GLU A 45 8.952 8.448 -10.966 1.00 0.00 O ATOM 654 CB GLU A 45 12.384 8.042 -11.476 1.00 0.00 C ATOM 655 CG GLU A 45 13.163 7.751 -10.192 1.00 0.00 C ATOM 656 CD GLU A 45 12.668 8.672 -9.076 1.00 0.00 C ATOM 657 OE1 GLU A 45 11.491 8.612 -8.762 1.00 0.00 O ATOM 658 OE2 GLU A 45 13.477 9.422 -8.553 1.00 0.00 O ATOM 0 H GLU A 45 12.029 6.072 -12.821 1.00 0.00 H new ATOM 0 HA GLU A 45 10.830 6.913 -10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.950 7.699 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.243 9.117 -11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.032 6.708 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.229 7.904 -10.358 1.00 0.00 H new ATOM 665 N ALA A 46 9.986 9.033 -12.814 1.00 0.00 N ATOM 666 CA ALA A 46 8.914 10.012 -13.157 1.00 0.00 C ATOM 667 C ALA A 46 7.536 9.398 -12.892 1.00 0.00 C ATOM 668 O ALA A 46 6.714 9.969 -12.204 1.00 0.00 O ATOM 669 CB ALA A 46 9.098 10.294 -14.649 1.00 0.00 C ATOM 0 H ALA A 46 10.752 8.975 -13.485 1.00 0.00 H new ATOM 0 HA ALA A 46 8.977 10.922 -12.560 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.344 11.008 -14.980 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.091 10.709 -14.821 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.990 9.366 -15.211 1.00 0.00 H new ATOM 675 N GLU A 47 7.280 8.239 -13.432 1.00 0.00 N ATOM 676 CA GLU A 47 5.957 7.589 -13.208 1.00 0.00 C ATOM 677 C GLU A 47 5.689 7.444 -11.708 1.00 0.00 C ATOM 678 O GLU A 47 4.565 7.534 -11.256 1.00 0.00 O ATOM 679 CB GLU A 47 6.074 6.215 -13.868 1.00 0.00 C ATOM 680 CG GLU A 47 4.807 5.927 -14.678 1.00 0.00 C ATOM 681 CD GLU A 47 4.949 6.527 -16.078 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.660 7.703 -16.229 1.00 0.00 O ATOM 683 OE2 GLU A 47 5.345 5.801 -16.975 1.00 0.00 O ATOM 0 H GLU A 47 7.929 7.714 -14.018 1.00 0.00 H new ATOM 0 HA GLU A 47 5.134 8.171 -13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.948 6.186 -14.518 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.215 5.446 -13.109 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.643 4.852 -14.747 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.937 6.351 -14.176 1.00 0.00 H new ATOM 690 N VAL A 48 6.715 7.221 -10.932 1.00 0.00 N ATOM 691 CA VAL A 48 6.521 7.072 -9.462 1.00 0.00 C ATOM 692 C VAL A 48 6.195 8.429 -8.833 1.00 0.00 C ATOM 693 O VAL A 48 5.281 8.556 -8.044 1.00 0.00 O ATOM 694 CB VAL A 48 7.856 6.543 -8.936 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.669 6.008 -7.515 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.350 5.415 -9.844 1.00 0.00 C ATOM 0 H VAL A 48 7.679 7.136 -11.253 1.00 0.00 H new ATOM 0 HA VAL A 48 5.695 6.403 -9.220 1.00 0.00 H new ATOM 0 HB VAL A 48 8.588 7.350 -8.927 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.620 5.631 -7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.316 6.811 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.937 5.201 -7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.302 5.037 -9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.617 4.608 -9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.483 5.795 -10.857 1.00 0.00 H new ATOM 706 N ASN A 49 6.938 9.445 -9.178 1.00 0.00 N ATOM 707 CA ASN A 49 6.671 10.794 -8.601 1.00 0.00 C ATOM 708 C ASN A 49 5.185 11.139 -8.730 1.00 0.00 C ATOM 709 O ASN A 49 4.555 11.573 -7.786 1.00 0.00 O ATOM 710 CB ASN A 49 7.519 11.756 -9.434 1.00 0.00 C ATOM 711 CG ASN A 49 7.981 12.921 -8.556 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.577 12.715 -7.518 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.729 14.145 -8.933 1.00 0.00 N ATOM 0 H ASN A 49 7.718 9.400 -9.834 1.00 0.00 H new ATOM 0 HA ASN A 49 6.918 10.846 -7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.382 11.233 -9.846 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.940 12.130 -10.278 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.033 14.929 -8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.228 14.317 -9.805 1.00 0.00 H new ATOM 720 N ASP A 50 4.621 10.950 -9.891 1.00 0.00 N ATOM 721 CA ASP A 50 3.175 11.266 -10.078 1.00 0.00 C ATOM 722 C ASP A 50 2.310 10.243 -9.339 1.00 0.00 C ATOM 723 O ASP A 50 1.387 10.591 -8.630 1.00 0.00 O ATOM 724 CB ASP A 50 2.943 11.177 -11.587 1.00 0.00 C ATOM 725 CG ASP A 50 3.758 12.260 -12.294 1.00 0.00 C ATOM 726 OD1 ASP A 50 4.975 12.207 -12.213 1.00 0.00 O ATOM 727 OD2 ASP A 50 3.154 13.125 -12.907 1.00 0.00 O ATOM 0 H ASP A 50 5.098 10.591 -10.718 1.00 0.00 H new ATOM 0 HA ASP A 50 2.911 12.247 -9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.233 10.192 -11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.883 11.301 -11.810 1.00 0.00 H new ATOM 732 N LEU A 51 2.602 8.981 -9.498 1.00 0.00 N ATOM 733 CA LEU A 51 1.797 7.935 -8.806 1.00 0.00 C ATOM 734 C LEU A 51 1.739 8.223 -7.303 1.00 0.00 C ATOM 735 O LEU A 51 0.712 8.071 -6.670 1.00 0.00 O ATOM 736 CB LEU A 51 2.536 6.624 -9.072 1.00 0.00 C ATOM 737 CG LEU A 51 1.941 5.514 -8.204 1.00 0.00 C ATOM 738 CD1 LEU A 51 0.592 5.082 -8.781 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.893 4.318 -8.184 1.00 0.00 C ATOM 0 H LEU A 51 3.364 8.629 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 51 0.768 7.902 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.456 6.357 -10.126 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.597 6.742 -8.852 1.00 0.00 H new ATOM 0 HG LEU A 51 1.800 5.884 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.168 4.291 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.087 5.934 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.732 4.712 -9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.470 3.526 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.035 3.949 -9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.854 4.625 -7.772 1.00 0.00 H new ATOM 751 N MET A 52 2.834 8.638 -6.726 1.00 0.00 N ATOM 752 CA MET A 52 2.841 8.934 -5.264 1.00 0.00 C ATOM 753 C MET A 52 2.108 10.251 -4.989 1.00 0.00 C ATOM 754 O MET A 52 1.248 10.327 -4.135 1.00 0.00 O ATOM 755 CB MET A 52 4.319 9.055 -4.892 1.00 0.00 C ATOM 756 CG MET A 52 4.955 7.663 -4.872 1.00 0.00 C ATOM 757 SD MET A 52 4.890 6.995 -3.191 1.00 0.00 S ATOM 758 CE MET A 52 4.468 5.293 -3.640 1.00 0.00 C ATOM 0 H MET A 52 3.724 8.785 -7.203 1.00 0.00 H new ATOM 0 HA MET A 52 2.337 8.162 -4.683 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.835 9.692 -5.610 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.422 9.528 -3.915 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.428 7.001 -5.559 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.989 7.719 -5.213 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.254 4.721 -2.737 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.590 5.294 -4.285 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.306 4.838 -4.168 1.00 0.00 H new ATOM 768 N ASN A 53 2.443 11.288 -5.707 1.00 0.00 N ATOM 769 CA ASN A 53 1.766 12.598 -5.487 1.00 0.00 C ATOM 770 C ASN A 53 0.246 12.411 -5.469 1.00 0.00 C ATOM 771 O ASN A 53 -0.479 13.189 -4.881 1.00 0.00 O ATOM 772 CB ASN A 53 2.186 13.467 -6.672 1.00 0.00 C ATOM 773 CG ASN A 53 3.299 14.422 -6.237 1.00 0.00 C ATOM 774 OD1 ASN A 53 3.053 15.587 -5.992 1.00 0.00 O ATOM 775 ND2 ASN A 53 4.520 13.976 -6.132 1.00 0.00 N ATOM 0 H ASN A 53 3.156 11.285 -6.436 1.00 0.00 H new ATOM 0 HA ASN A 53 2.042 13.050 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.532 12.839 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.331 14.033 -7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.270 14.605 -5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.725 12.998 -6.338 1.00 0.00 H new ATOM 782 N GLU A 54 -0.241 11.384 -6.110 1.00 0.00 N ATOM 783 CA GLU A 54 -1.714 11.147 -6.130 1.00 0.00 C ATOM 784 C GLU A 54 -2.144 10.389 -4.871 1.00 0.00 C ATOM 785 O GLU A 54 -3.314 10.143 -4.654 1.00 0.00 O ATOM 786 CB GLU A 54 -1.961 10.299 -7.378 1.00 0.00 C ATOM 787 CG GLU A 54 -2.558 11.174 -8.481 1.00 0.00 C ATOM 788 CD GLU A 54 -1.974 10.761 -9.833 1.00 0.00 C ATOM 789 OE1 GLU A 54 -1.167 9.847 -9.852 1.00 0.00 O ATOM 790 OE2 GLU A 54 -2.344 11.366 -10.825 1.00 0.00 O ATOM 0 H GLU A 54 0.316 10.699 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.283 12.077 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.026 9.854 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.639 9.478 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.643 11.070 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.341 12.224 -8.285 1.00 0.00 H new ATOM 797 N ILE A 55 -1.209 10.020 -4.041 1.00 0.00 N ATOM 798 CA ILE A 55 -1.565 9.278 -2.796 1.00 0.00 C ATOM 799 C ILE A 55 -0.700 9.758 -1.628 1.00 0.00 C ATOM 800 O ILE A 55 -1.191 10.021 -0.548 1.00 0.00 O ATOM 801 CB ILE A 55 -1.274 7.812 -3.113 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.389 6.982 -1.832 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.141 7.682 -3.677 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.283 5.496 -2.174 1.00 0.00 C ATOM 0 H ILE A 55 -0.213 10.199 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.604 9.433 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.993 7.450 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.601 7.262 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.340 7.185 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.348 6.636 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.225 8.274 -4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.860 8.044 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.365 4.906 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.087 5.222 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.321 5.299 -2.648 1.00 0.00 H new ATOM 816 N ASP A 56 0.582 9.875 -1.836 1.00 0.00 N ATOM 817 CA ASP A 56 1.477 10.338 -0.737 1.00 0.00 C ATOM 818 C ASP A 56 0.872 11.561 -0.043 1.00 0.00 C ATOM 819 O ASP A 56 0.460 12.510 -0.683 1.00 0.00 O ATOM 820 CB ASP A 56 2.791 10.707 -1.425 1.00 0.00 C ATOM 821 CG ASP A 56 3.960 10.435 -0.475 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.797 9.612 0.411 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.997 11.052 -0.651 1.00 0.00 O ATOM 0 H ASP A 56 1.049 9.670 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 56 1.619 9.576 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.910 10.127 -2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.780 11.758 -1.713 1.00 0.00 H new ATOM 828 N VAL A 57 0.816 11.549 1.260 1.00 0.00 N ATOM 829 CA VAL A 57 0.238 12.712 1.994 1.00 0.00 C ATOM 830 C VAL A 57 1.256 13.266 2.993 1.00 0.00 C ATOM 831 O VAL A 57 1.045 14.297 3.601 1.00 0.00 O ATOM 832 CB VAL A 57 -0.982 12.152 2.725 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.521 11.258 3.877 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.817 13.307 3.281 1.00 0.00 C ATOM 0 H VAL A 57 1.145 10.784 1.849 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.028 13.531 1.326 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.585 11.568 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.391 10.859 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.075 10.435 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.082 11.842 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.687 12.909 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.213 13.891 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.146 13.946 2.461 1.00 0.00 H new ATOM 844 N ASP A 58 2.359 12.591 3.169 1.00 0.00 N ATOM 845 CA ASP A 58 3.388 13.082 4.130 1.00 0.00 C ATOM 846 C ASP A 58 4.608 12.156 4.117 1.00 0.00 C ATOM 847 O ASP A 58 4.862 11.434 5.061 1.00 0.00 O ATOM 848 CB ASP A 58 2.703 13.046 5.496 1.00 0.00 C ATOM 849 CG ASP A 58 2.988 14.350 6.244 1.00 0.00 C ATOM 850 OD1 ASP A 58 3.711 15.174 5.706 1.00 0.00 O ATOM 851 OD2 ASP A 58 2.479 14.505 7.342 1.00 0.00 O ATOM 0 H ASP A 58 2.592 11.721 2.690 1.00 0.00 H new ATOM 0 HA ASP A 58 3.745 14.081 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.628 12.913 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.065 12.196 6.074 1.00 0.00 H new ATOM 856 N GLY A 59 5.365 12.172 3.054 1.00 0.00 N ATOM 857 CA GLY A 59 6.567 11.293 2.982 1.00 0.00 C ATOM 858 C GLY A 59 6.144 9.831 3.137 1.00 0.00 C ATOM 859 O GLY A 59 5.984 9.115 2.168 1.00 0.00 O ATOM 0 H GLY A 59 5.203 12.755 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.077 11.435 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.274 11.562 3.766 1.00 0.00 H new ATOM 863 N ASN A 60 5.959 9.383 4.348 1.00 0.00 N ATOM 864 CA ASN A 60 5.546 7.965 4.563 1.00 0.00 C ATOM 865 C ASN A 60 4.041 7.889 4.830 1.00 0.00 C ATOM 866 O ASN A 60 3.407 8.871 5.157 1.00 0.00 O ATOM 867 CB ASN A 60 6.332 7.505 5.791 1.00 0.00 C ATOM 868 CG ASN A 60 7.759 7.140 5.376 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.667 7.937 5.513 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.997 5.961 4.872 1.00 0.00 N ATOM 0 H ASN A 60 6.075 9.935 5.198 1.00 0.00 H new ATOM 0 HA ASN A 60 5.747 7.339 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.351 8.296 6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.843 6.644 6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.945 5.708 4.593 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.235 5.292 4.757 1.00 0.00 H new ATOM 877 N HIS A 61 3.463 6.727 4.690 1.00 0.00 N ATOM 878 CA HIS A 61 1.998 6.587 4.936 1.00 0.00 C ATOM 879 C HIS A 61 1.570 5.127 4.771 1.00 0.00 C ATOM 880 O HIS A 61 2.288 4.317 4.219 1.00 0.00 O ATOM 881 CB HIS A 61 1.333 7.465 3.875 1.00 0.00 C ATOM 882 CG HIS A 61 1.467 6.813 2.526 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.373 5.792 2.284 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.816 7.025 1.335 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.244 5.431 0.995 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.307 6.151 0.371 1.00 0.00 N ATOM 0 H HIS A 61 3.941 5.869 4.416 1.00 0.00 H new ATOM 0 HA HIS A 61 1.719 6.886 5.946 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.280 7.611 4.117 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.797 8.451 3.861 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.020 5.388 2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.041 7.759 1.172 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.826 4.654 0.522 1.00 0.00 H new ATOM 894 N GLN A 62 0.403 4.783 5.245 1.00 0.00 N ATOM 895 CA GLN A 62 -0.070 3.375 5.113 1.00 0.00 C ATOM 896 C GLN A 62 -1.007 3.244 3.909 1.00 0.00 C ATOM 897 O GLN A 62 -2.155 3.638 3.958 1.00 0.00 O ATOM 898 CB GLN A 62 -0.821 3.086 6.413 1.00 0.00 C ATOM 899 CG GLN A 62 0.183 2.804 7.532 1.00 0.00 C ATOM 900 CD GLN A 62 -0.558 2.281 8.764 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.167 1.231 8.721 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.532 2.976 9.869 1.00 0.00 N ATOM 0 H GLN A 62 -0.243 5.415 5.718 1.00 0.00 H new ATOM 0 HA GLN A 62 0.751 2.676 4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.449 3.936 6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.483 2.230 6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.918 2.072 7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.729 3.713 7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.021 3.858 9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.023 2.637 10.696 1.00 0.00 H new ATOM 911 N ILE A 63 -0.526 2.692 2.829 1.00 0.00 N ATOM 912 CA ILE A 63 -1.390 2.538 1.623 1.00 0.00 C ATOM 913 C ILE A 63 -2.466 1.477 1.873 1.00 0.00 C ATOM 914 O ILE A 63 -2.290 0.577 2.670 1.00 0.00 O ATOM 915 CB ILE A 63 -0.443 2.086 0.511 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.601 3.175 0.258 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.241 1.839 -0.770 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.540 2.730 -0.865 1.00 0.00 C ATOM 0 H ILE A 63 0.427 2.341 2.729 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.908 3.462 1.368 1.00 0.00 H new ATOM 0 HB ILE A 63 0.056 1.165 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.109 4.109 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.170 3.367 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.566 1.517 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.986 1.064 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.740 2.760 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.284 3.506 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.041 1.806 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.964 2.560 -1.775 1.00 0.00 H new ATOM 930 N GLU A 64 -3.576 1.576 1.195 1.00 0.00 N ATOM 931 CA GLU A 64 -4.662 0.573 1.391 1.00 0.00 C ATOM 932 C GLU A 64 -4.932 -0.171 0.080 1.00 0.00 C ATOM 933 O GLU A 64 -5.118 0.432 -0.959 1.00 0.00 O ATOM 934 CB GLU A 64 -5.885 1.389 1.808 1.00 0.00 C ATOM 935 CG GLU A 64 -6.348 0.943 3.197 1.00 0.00 C ATOM 936 CD GLU A 64 -7.226 -0.303 3.066 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.398 -0.769 1.953 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.712 -0.769 4.083 1.00 0.00 O ATOM 0 H GLU A 64 -3.779 2.308 0.514 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.403 -0.179 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.640 2.451 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.689 1.254 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.486 0.729 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.906 1.745 3.681 1.00 0.00 H new ATOM 945 N PHE A 65 -4.952 -1.475 0.119 1.00 0.00 N ATOM 946 CA PHE A 65 -5.209 -2.254 -1.127 1.00 0.00 C ATOM 947 C PHE A 65 -6.344 -1.610 -1.929 1.00 0.00 C ATOM 948 O PHE A 65 -6.337 -1.612 -3.144 1.00 0.00 O ATOM 949 CB PHE A 65 -5.614 -3.647 -0.648 1.00 0.00 C ATOM 950 CG PHE A 65 -5.801 -4.553 -1.842 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.780 -4.679 -2.791 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.995 -5.266 -2.000 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.953 -5.517 -3.899 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.169 -6.105 -3.107 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.148 -6.230 -4.057 1.00 0.00 C ATOM 0 H PHE A 65 -4.802 -2.035 0.958 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.337 -2.286 -1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.849 -4.053 0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.537 -3.591 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.858 -4.130 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.783 -5.169 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.165 -5.614 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.090 -6.656 -3.228 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.282 -6.876 -4.912 1.00 0.00 H new ATOM 965 N SER A 66 -7.318 -1.058 -1.259 1.00 0.00 N ATOM 966 CA SER A 66 -8.451 -0.414 -1.985 1.00 0.00 C ATOM 967 C SER A 66 -7.934 0.736 -2.854 1.00 0.00 C ATOM 968 O SER A 66 -7.769 0.596 -4.049 1.00 0.00 O ATOM 969 CB SER A 66 -9.374 0.114 -0.889 1.00 0.00 C ATOM 970 OG SER A 66 -10.303 1.028 -1.458 1.00 0.00 O ATOM 0 H SER A 66 -7.379 -1.025 -0.241 1.00 0.00 H new ATOM 0 HA SER A 66 -8.965 -1.108 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.903 -0.712 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.790 0.607 -0.112 1.00 0.00 H new ATOM 0 HG SER A 66 -10.898 1.368 -0.758 1.00 0.00 H new ATOM 976 N GLU A 67 -7.677 1.870 -2.261 1.00 0.00 N ATOM 977 CA GLU A 67 -7.170 3.026 -3.055 1.00 0.00 C ATOM 978 C GLU A 67 -6.016 2.579 -3.957 1.00 0.00 C ATOM 979 O GLU A 67 -5.934 2.955 -5.110 1.00 0.00 O ATOM 980 CB GLU A 67 -6.680 4.035 -2.017 1.00 0.00 C ATOM 981 CG GLU A 67 -5.527 3.426 -1.216 1.00 0.00 C ATOM 982 CD GLU A 67 -5.200 4.329 -0.024 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.032 5.155 0.314 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.125 4.178 0.530 1.00 0.00 O ATOM 0 H GLU A 67 -7.796 2.046 -1.263 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.936 3.450 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.351 4.949 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.496 4.310 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.799 2.430 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.649 3.313 -1.852 1.00 0.00 H new ATOM 991 N PHE A 68 -5.124 1.779 -3.440 1.00 0.00 N ATOM 992 CA PHE A 68 -3.977 1.306 -4.267 1.00 0.00 C ATOM 993 C PHE A 68 -4.462 0.916 -5.666 1.00 0.00 C ATOM 994 O PHE A 68 -4.009 1.448 -6.662 1.00 0.00 O ATOM 995 CB PHE A 68 -3.433 0.085 -3.524 1.00 0.00 C ATOM 996 CG PHE A 68 -2.538 -0.713 -4.444 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.790 -0.061 -5.431 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.457 -2.104 -4.308 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.961 -0.801 -6.283 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.629 -2.843 -5.159 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.881 -2.192 -6.147 1.00 0.00 C ATOM 0 H PHE A 68 -5.140 1.432 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.215 2.074 -4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.875 0.402 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.257 -0.536 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.852 1.012 -5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.034 -2.606 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.383 -0.299 -7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.567 -3.916 -5.054 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.242 -2.763 -6.804 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.378 -0.009 -5.750 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.891 -0.432 -7.084 1.00 0.00 C ATOM 1013 C LEU A 69 -6.884 0.602 -7.620 1.00 0.00 C ATOM 1014 O LEU A 69 -6.883 0.927 -8.790 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.589 -1.770 -6.832 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.641 -2.917 -7.187 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.266 -2.658 -6.566 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.205 -4.229 -6.639 1.00 0.00 C ATOM 0 H LEU A 69 -5.794 -0.490 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.096 -0.521 -7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.890 -1.844 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.497 -1.837 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.543 -2.984 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.592 -3.476 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.863 -1.722 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.363 -2.591 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.531 -5.048 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.302 -4.159 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.184 -4.416 -7.080 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.730 1.120 -6.773 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.719 2.135 -7.236 1.00 0.00 C ATOM 1032 C ALA A 70 -8.008 3.252 -8.002 1.00 0.00 C ATOM 1033 O ALA A 70 -8.593 3.922 -8.830 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.355 2.679 -5.958 1.00 0.00 C ATOM 0 H ALA A 70 -7.780 0.885 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.463 1.711 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.097 3.435 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.837 1.865 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.584 3.126 -5.330 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.748 3.458 -7.732 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.998 4.533 -8.444 1.00 0.00 C ATOM 1042 C LEU A 71 -5.074 3.922 -9.501 1.00 0.00 C ATOM 1043 O LEU A 71 -4.949 4.428 -10.598 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.182 5.234 -7.358 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.072 6.227 -6.610 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -6.848 5.492 -5.515 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.201 7.312 -5.975 1.00 0.00 C ATOM 0 H LEU A 71 -6.205 2.929 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.661 5.224 -8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.775 4.499 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.334 5.754 -7.804 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.773 6.684 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.483 6.200 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.468 4.717 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.147 5.035 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.834 8.021 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.501 6.854 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.647 7.836 -6.754 1.00 0.00 H new ATOM 1059 N MET A 72 -4.427 2.835 -9.178 1.00 0.00 N ATOM 1060 CA MET A 72 -3.511 2.192 -10.163 1.00 0.00 C ATOM 1061 C MET A 72 -4.216 2.029 -11.512 1.00 0.00 C ATOM 1062 O MET A 72 -3.590 2.013 -12.553 1.00 0.00 O ATOM 1063 CB MET A 72 -3.180 0.825 -9.563 1.00 0.00 C ATOM 1064 CG MET A 72 -1.672 0.723 -9.325 1.00 0.00 C ATOM 1065 SD MET A 72 -0.837 0.368 -10.891 1.00 0.00 S ATOM 1066 CE MET A 72 -0.811 -1.434 -10.731 1.00 0.00 C ATOM 0 H MET A 72 -4.493 2.365 -8.275 1.00 0.00 H new ATOM 0 HA MET A 72 -2.615 2.786 -10.342 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.717 0.688 -8.624 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.507 0.032 -10.236 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.296 1.655 -8.903 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.460 -0.063 -8.601 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.267 -1.866 -11.571 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.317 -1.709 -9.799 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.833 -1.814 -10.726 1.00 0.00 H new ATOM 1076 N SER A 73 -5.515 1.910 -11.502 1.00 0.00 N ATOM 1077 CA SER A 73 -6.259 1.748 -12.784 1.00 0.00 C ATOM 1078 C SER A 73 -5.884 2.869 -13.758 1.00 0.00 C ATOM 1079 O SER A 73 -6.085 2.761 -14.951 1.00 0.00 O ATOM 1080 CB SER A 73 -7.736 1.843 -12.401 1.00 0.00 C ATOM 1081 OG SER A 73 -8.171 3.189 -12.539 1.00 0.00 O ATOM 0 H SER A 73 -6.094 1.918 -10.662 1.00 0.00 H new ATOM 0 HA SER A 73 -6.027 0.805 -13.279 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.332 1.189 -13.038 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.880 1.506 -11.375 1.00 0.00 H new ATOM 0 HG SER A 73 -9.118 3.253 -12.296 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.342 3.946 -13.258 1.00 0.00 N ATOM 1088 CA ARG A 74 -4.956 5.072 -14.156 1.00 0.00 C ATOM 1089 C ARG A 74 -3.795 4.651 -15.062 1.00 0.00 C ATOM 1090 O ARG A 74 -3.945 4.529 -16.262 1.00 0.00 O ATOM 1091 CB ARG A 74 -4.522 6.196 -13.215 1.00 0.00 C ATOM 1092 CG ARG A 74 -5.522 7.350 -13.304 1.00 0.00 C ATOM 1093 CD ARG A 74 -5.723 7.961 -11.916 1.00 0.00 C ATOM 1094 NE ARG A 74 -5.971 9.408 -12.163 1.00 0.00 N ATOM 1095 CZ ARG A 74 -7.007 9.782 -12.865 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -8.147 10.010 -12.273 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -6.902 9.927 -14.157 1.00 0.00 N ATOM 0 H ARG A 74 -5.150 4.095 -12.267 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.773 5.379 -14.809 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.467 5.827 -12.191 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.524 6.544 -13.482 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.157 8.108 -13.997 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.474 6.991 -13.696 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.565 7.499 -11.400 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.844 7.813 -11.289 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.332 10.107 -11.784 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.229 9.896 -11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.957 10.302 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.011 9.748 -14.619 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.711 10.219 -14.705 1.00 0.00 H new ATOM 1111 N GLN A 75 -2.640 4.430 -14.497 1.00 0.00 N ATOM 1112 CA GLN A 75 -1.471 4.017 -15.328 1.00 0.00 C ATOM 1113 C GLN A 75 -1.003 2.617 -14.922 1.00 0.00 C ATOM 1114 O GLN A 75 -0.724 2.355 -13.769 1.00 0.00 O ATOM 1115 CB GLN A 75 -0.388 5.053 -15.028 1.00 0.00 C ATOM 1116 CG GLN A 75 0.202 5.570 -16.342 1.00 0.00 C ATOM 1117 CD GLN A 75 0.482 7.070 -16.222 1.00 0.00 C ATOM 1118 OE1 GLN A 75 1.566 7.468 -15.846 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -0.457 7.923 -16.527 1.00 0.00 N ATOM 0 H GLN A 75 -2.454 4.517 -13.498 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.712 3.975 -16.390 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.809 5.880 -14.456 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.396 4.608 -14.415 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.123 5.035 -16.575 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.491 5.383 -17.162 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.367 7.588 -16.843 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.281 8.925 -16.450 1.00 0.00 H new ATOM 1128 N LEU A 76 -0.913 1.716 -15.862 1.00 0.00 N ATOM 1129 CA LEU A 76 -0.462 0.334 -15.529 1.00 0.00 C ATOM 1130 C LEU A 76 0.065 -0.367 -16.785 1.00 0.00 C ATOM 1131 O LEU A 76 1.183 -0.842 -16.819 1.00 0.00 O ATOM 1132 CB LEU A 76 -1.710 -0.374 -15.003 1.00 0.00 C ATOM 1133 CG LEU A 76 -1.306 -1.411 -13.955 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -2.541 -1.849 -13.164 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -0.690 -2.627 -14.651 1.00 0.00 C ATOM 0 H LEU A 76 -1.132 1.876 -16.845 1.00 0.00 H new ATOM 0 HA LEU A 76 0.347 0.328 -14.799 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.396 0.352 -14.566 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.239 -0.858 -15.824 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.576 -0.972 -13.275 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.251 -2.588 -12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.980 -0.984 -12.667 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.272 -2.287 -13.844 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.402 -3.367 -13.904 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.420 -3.065 -15.332 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.191 -2.317 -15.213 1.00 0.00 H new ATOM 1147 N LYS A 77 -0.732 -0.436 -17.815 1.00 0.00 N ATOM 1148 CA LYS A 77 -0.276 -1.107 -19.066 1.00 0.00 C ATOM 1149 C LYS A 77 0.060 -0.062 -20.134 1.00 0.00 C ATOM 1150 O LYS A 77 0.189 1.098 -19.780 1.00 0.00 O ATOM 1151 CB LYS A 77 -1.462 -1.965 -19.511 1.00 0.00 C ATOM 1152 CG LYS A 77 -1.772 -3.004 -18.432 1.00 0.00 C ATOM 1153 CD LYS A 77 -1.926 -4.382 -19.080 1.00 0.00 C ATOM 1154 CE LYS A 77 -1.935 -5.460 -17.993 1.00 0.00 C ATOM 1155 NZ LYS A 77 -3.262 -5.327 -17.331 1.00 0.00 N ATOM 1156 OXT LYS A 77 0.184 -0.441 -21.288 1.00 0.00 O ATOM 0 H LYS A 77 -1.679 -0.057 -17.845 1.00 0.00 H new ATOM 0 HA LYS A 77 0.623 -1.703 -18.910 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.334 -1.336 -19.686 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.232 -2.461 -20.454 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.972 -3.026 -17.692 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.687 -2.734 -17.904 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.851 -4.423 -19.656 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.108 -4.561 -19.778 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.805 -6.454 -18.421 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.122 -5.311 -17.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.436 -6.159 -16.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.273 -4.469 -16.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.006 -5.260 -18.055 1.00 0.00 H new TER 1170 LYS A 77