USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 782 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 52 ASN : amide:sc= -3.24! C(o=-5.9!,f=-20!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -166:sc= -0.84! (180deg=-2.57!) USER MOD Set 1.3: A 83 THR OG1 : rot 180:sc= -1.78! USER MOD Set 2.1: A 31 THR OG1 : rot -33:sc= -1.17! USER MOD Set 2.2: A 62 ASN :FLIP amide:sc= -0.17 F(o=-2.7,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.711 (180deg=-2.63!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -126:sc= -1.43! USER MOD Single : A 17 GLN :FLIP amide:sc= -0.945 F(o=-2.1,f=-0.94) USER MOD Single : A 22 LYS NZ :NH3+ -121:sc= -0.733 (180deg=-1.55) USER MOD Single : A 24 LYS NZ :NH3+ -112:sc= -3.46! (180deg=-6.1!) USER MOD Single : A 26 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.0023) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -7.26! C(o=-7.3!,f=-7.2!) USER MOD Single : A 34 THR OG1 : rot -57:sc= 0.743 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -0.0797 (180deg=-1.12) USER MOD Single : A 42 GLN :FLIP amide:sc= -8.37! C(o=-9.9!,f=-8.4!) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.57 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0.0225 (180deg=0.0154) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0123 F(o=-0.87,f=-0.012) USER MOD Single : A 51 THR OG1 : rot 105:sc= 0.244 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -137:sc= -1.3 (180deg=-3.61!) USER MOD Single : A 64 TYR OH : rot 150:sc= -0.622 USER MOD Single : A 66 HIS : no HD1:sc= -10.7! C(o=-11!,f=-16!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 42:sc= 1.14 USER MOD Single : A 76 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.7) USER MOD Single : A 77 ASN : amide:sc= -0.954 X(o=-0.95,f=-0.56) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= 1.17 F(o=-0.038,f=1.2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -4.14! C(o=-5.3!,f=-4.1!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.331 -4.022 -21.217 1.00 0.00 N ATOM 2 CA MET A 1 -14.443 -5.409 -20.680 1.00 0.00 C ATOM 3 C MET A 1 -13.086 -5.851 -20.126 1.00 0.00 C ATOM 4 O MET A 1 -12.397 -6.658 -20.717 1.00 0.00 O ATOM 5 CB MET A 1 -14.868 -6.360 -21.802 1.00 0.00 C ATOM 6 CG MET A 1 -16.003 -5.727 -22.610 1.00 0.00 C ATOM 7 SD MET A 1 -17.559 -6.565 -22.221 1.00 0.00 S ATOM 8 CE MET A 1 -17.679 -7.538 -23.742 1.00 0.00 C ATOM 0 H1 MET A 1 -15.262 -3.560 -21.183 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.655 -3.481 -20.642 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.998 -4.057 -22.202 1.00 0.00 H new ATOM 0 HA MET A 1 -15.188 -5.431 -19.884 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.020 -6.573 -22.453 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.194 -7.311 -21.382 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.081 -4.665 -22.377 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.792 -5.805 -23.677 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.585 -8.143 -23.716 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.715 -6.868 -24.601 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.809 -8.190 -23.827 1.00 0.00 H new ATOM 20 N ILE A 2 -12.697 -5.327 -18.996 1.00 0.00 N ATOM 21 CA ILE A 2 -11.385 -5.718 -18.408 1.00 0.00 C ATOM 22 C ILE A 2 -11.345 -5.318 -16.930 1.00 0.00 C ATOM 23 O ILE A 2 -10.801 -4.289 -16.582 1.00 0.00 O ATOM 24 CB ILE A 2 -10.258 -5.005 -19.160 1.00 0.00 C ATOM 25 CG1 ILE A 2 -8.952 -5.136 -18.370 1.00 0.00 C ATOM 26 CG2 ILE A 2 -10.608 -3.525 -19.319 1.00 0.00 C ATOM 27 CD1 ILE A 2 -7.863 -5.719 -19.275 1.00 0.00 C ATOM 0 H ILE A 2 -13.230 -4.646 -18.455 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.256 -6.797 -18.494 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.135 -5.459 -20.143 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.643 -4.161 -17.994 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.102 -5.779 -17.503 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.806 -3.017 -19.854 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.537 -3.429 -19.881 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.731 -3.072 -18.335 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.934 -5.812 -18.713 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.172 -6.702 -19.630 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.706 -5.058 -20.128 1.00 0.00 H new ATOM 39 N PRO A 3 -11.923 -6.149 -16.103 1.00 0.00 N ATOM 40 CA PRO A 3 -11.971 -5.915 -14.651 1.00 0.00 C ATOM 41 C PRO A 3 -10.630 -6.279 -14.008 1.00 0.00 C ATOM 42 O PRO A 3 -10.279 -7.436 -13.894 1.00 0.00 O ATOM 43 CB PRO A 3 -13.079 -6.859 -14.173 1.00 0.00 C ATOM 44 CG PRO A 3 -13.203 -7.966 -15.247 1.00 0.00 C ATOM 45 CD PRO A 3 -12.582 -7.398 -16.538 1.00 0.00 C ATOM 0 HA PRO A 3 -12.161 -4.874 -14.389 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.832 -7.287 -13.201 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.021 -6.324 -14.056 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.683 -8.871 -14.933 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.247 -8.237 -15.406 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.867 -8.094 -16.976 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.343 -7.205 -17.294 1.00 0.00 H new ATOM 53 N GLY A 4 -9.883 -5.299 -13.577 1.00 0.00 N ATOM 54 CA GLY A 4 -8.573 -5.592 -12.931 1.00 0.00 C ATOM 55 C GLY A 4 -8.809 -5.811 -11.441 1.00 0.00 C ATOM 56 O GLY A 4 -8.795 -4.883 -10.658 1.00 0.00 O ATOM 0 H GLY A 4 -10.123 -4.310 -13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.120 -6.477 -13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.880 -4.766 -13.088 1.00 0.00 H new ATOM 60 N GLY A 5 -9.053 -7.029 -11.040 1.00 0.00 N ATOM 61 CA GLY A 5 -9.318 -7.280 -9.600 1.00 0.00 C ATOM 62 C GLY A 5 -10.486 -6.393 -9.175 1.00 0.00 C ATOM 63 O GLY A 5 -10.513 -5.862 -8.086 1.00 0.00 O ATOM 0 H GLY A 5 -9.080 -7.852 -11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.557 -8.330 -9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.433 -7.056 -9.005 1.00 0.00 H new ATOM 67 N LEU A 6 -11.449 -6.220 -10.044 1.00 0.00 N ATOM 68 CA LEU A 6 -12.616 -5.364 -9.717 1.00 0.00 C ATOM 69 C LEU A 6 -13.669 -6.200 -8.995 1.00 0.00 C ATOM 70 O LEU A 6 -13.364 -7.194 -8.374 1.00 0.00 O ATOM 71 CB LEU A 6 -13.198 -4.814 -11.017 1.00 0.00 C ATOM 72 CG LEU A 6 -13.659 -3.371 -10.806 1.00 0.00 C ATOM 73 CD1 LEU A 6 -12.471 -2.514 -10.362 1.00 0.00 C ATOM 74 CD2 LEU A 6 -14.220 -2.818 -12.119 1.00 0.00 C ATOM 0 H LEU A 6 -11.472 -6.641 -10.973 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.309 -4.541 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.449 -4.855 -11.808 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.037 -5.430 -11.341 1.00 0.00 H new ATOM 0 HG LEU A 6 -14.433 -3.347 -10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.800 -1.486 -10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.068 -2.906 -9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.697 -2.539 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -14.549 -1.790 -11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.445 -2.844 -12.885 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -15.066 -3.427 -12.438 1.00 0.00 H new ATOM 86 N SER A 7 -14.905 -5.801 -9.064 1.00 0.00 N ATOM 87 CA SER A 7 -15.971 -6.575 -8.368 1.00 0.00 C ATOM 88 C SER A 7 -15.540 -6.800 -6.920 1.00 0.00 C ATOM 89 O SER A 7 -15.773 -5.974 -6.060 1.00 0.00 O ATOM 90 CB SER A 7 -16.165 -7.922 -9.065 1.00 0.00 C ATOM 91 OG SER A 7 -16.710 -7.706 -10.360 1.00 0.00 O ATOM 0 H SER A 7 -15.225 -4.975 -9.570 1.00 0.00 H new ATOM 0 HA SER A 7 -16.912 -6.025 -8.395 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.212 -8.446 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.831 -8.555 -8.479 1.00 0.00 H new ATOM 0 HG SER A 7 -16.834 -8.567 -10.811 1.00 0.00 H new ATOM 97 N GLU A 8 -14.901 -7.903 -6.642 1.00 0.00 N ATOM 98 CA GLU A 8 -14.445 -8.159 -5.254 1.00 0.00 C ATOM 99 C GLU A 8 -13.137 -7.417 -5.013 1.00 0.00 C ATOM 100 O GLU A 8 -12.069 -7.960 -5.192 1.00 0.00 O ATOM 101 CB GLU A 8 -14.228 -9.661 -5.040 1.00 0.00 C ATOM 102 CG GLU A 8 -15.433 -10.432 -5.580 1.00 0.00 C ATOM 103 CD GLU A 8 -15.074 -11.063 -6.927 1.00 0.00 C ATOM 104 OE1 GLU A 8 -14.283 -11.992 -6.931 1.00 0.00 O ATOM 105 OE2 GLU A 8 -15.597 -10.608 -7.931 1.00 0.00 O ATOM 0 H GLU A 8 -14.677 -8.634 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.204 -7.808 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.319 -9.984 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.093 -9.872 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.730 -11.206 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.285 -9.762 -5.696 1.00 0.00 H new ATOM 112 N ALA A 9 -13.211 -6.173 -4.619 1.00 0.00 N ATOM 113 CA ALA A 9 -11.967 -5.398 -4.378 1.00 0.00 C ATOM 114 C ALA A 9 -12.310 -4.007 -3.841 1.00 0.00 C ATOM 115 O ALA A 9 -13.310 -3.417 -4.200 1.00 0.00 O ATOM 116 CB ALA A 9 -11.212 -5.263 -5.696 1.00 0.00 C ATOM 0 H ALA A 9 -14.080 -5.664 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.351 -5.916 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.296 -4.696 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.963 -6.254 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.837 -4.743 -6.422 1.00 0.00 H new ATOM 122 N LYS A 10 -11.482 -3.476 -2.983 1.00 0.00 N ATOM 123 CA LYS A 10 -11.751 -2.122 -2.421 1.00 0.00 C ATOM 124 C LYS A 10 -10.574 -1.192 -2.739 1.00 0.00 C ATOM 125 O LYS A 10 -9.511 -1.650 -3.111 1.00 0.00 O ATOM 126 CB LYS A 10 -11.927 -2.228 -0.905 1.00 0.00 C ATOM 127 CG LYS A 10 -13.342 -1.789 -0.527 1.00 0.00 C ATOM 128 CD LYS A 10 -14.165 -3.011 -0.112 1.00 0.00 C ATOM 129 CE LYS A 10 -14.093 -3.186 1.407 1.00 0.00 C ATOM 130 NZ LYS A 10 -15.224 -2.455 2.048 1.00 0.00 N ATOM 0 H LYS A 10 -10.629 -3.923 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.660 -1.717 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.753 -3.253 -0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.192 -1.603 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.304 -1.069 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.816 -1.288 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.202 -2.887 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.786 -3.904 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.138 -4.244 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.142 -2.807 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.174 -2.575 3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.161 -1.444 1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.126 -2.836 1.699 1.00 0.00 H new ATOM 144 N PRO A 11 -10.801 0.089 -2.585 1.00 0.00 N ATOM 145 CA PRO A 11 -9.777 1.115 -2.852 1.00 0.00 C ATOM 146 C PRO A 11 -8.766 1.178 -1.705 1.00 0.00 C ATOM 147 O PRO A 11 -9.075 1.623 -0.617 1.00 0.00 O ATOM 148 CB PRO A 11 -10.581 2.412 -2.949 1.00 0.00 C ATOM 149 CG PRO A 11 -11.906 2.160 -2.187 1.00 0.00 C ATOM 150 CD PRO A 11 -12.098 0.632 -2.132 1.00 0.00 C ATOM 0 HA PRO A 11 -9.196 0.914 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.031 3.244 -2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.774 2.673 -3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.862 2.581 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.743 2.638 -2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.340 0.297 -1.123 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.913 0.309 -2.779 1.00 0.00 H new ATOM 158 N ALA A 12 -7.563 0.736 -1.960 1.00 0.00 N ATOM 159 CA ALA A 12 -6.485 0.745 -0.925 1.00 0.00 C ATOM 160 C ALA A 12 -7.070 0.602 0.483 1.00 0.00 C ATOM 161 O ALA A 12 -7.418 1.579 1.117 1.00 0.00 O ATOM 162 CB ALA A 12 -5.708 2.052 -1.000 1.00 0.00 C ATOM 0 H ALA A 12 -7.275 0.360 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.825 -0.100 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.924 2.053 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.259 2.152 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.384 2.888 -0.822 1.00 0.00 H new ATOM 168 N THR A 13 -7.166 -0.594 0.988 1.00 0.00 N ATOM 169 CA THR A 13 -7.711 -0.769 2.366 1.00 0.00 C ATOM 170 C THR A 13 -6.711 -0.165 3.355 1.00 0.00 C ATOM 171 O THR A 13 -5.606 0.164 2.978 1.00 0.00 O ATOM 172 CB THR A 13 -7.880 -2.261 2.667 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.399 -3.029 1.575 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.359 -2.571 2.913 1.00 0.00 C ATOM 0 H THR A 13 -6.894 -1.454 0.512 1.00 0.00 H new ATOM 0 HA THR A 13 -8.679 -0.276 2.452 1.00 0.00 H new ATOM 0 HB THR A 13 -7.308 -2.516 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.100 -3.643 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.477 -3.633 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.717 -1.988 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.937 -2.313 2.026 1.00 0.00 H new ATOM 182 N PRO A 14 -7.107 -0.063 4.594 1.00 0.00 N ATOM 183 CA PRO A 14 -6.232 0.459 5.650 1.00 0.00 C ATOM 184 C PRO A 14 -5.217 -0.630 5.998 1.00 0.00 C ATOM 185 O PRO A 14 -4.282 -0.431 6.748 1.00 0.00 O ATOM 186 CB PRO A 14 -7.188 0.744 6.810 1.00 0.00 C ATOM 187 CG PRO A 14 -8.441 -0.131 6.562 1.00 0.00 C ATOM 188 CD PRO A 14 -8.446 -0.473 5.059 1.00 0.00 C ATOM 0 HA PRO A 14 -5.668 1.352 5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.725 0.498 7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.452 1.801 6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.407 -1.038 7.166 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.349 0.404 6.841 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.618 -1.536 4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.234 0.064 4.530 1.00 0.00 H new ATOM 196 N GLU A 15 -5.414 -1.785 5.422 1.00 0.00 N ATOM 197 CA GLU A 15 -4.514 -2.939 5.638 1.00 0.00 C ATOM 198 C GLU A 15 -3.544 -3.007 4.460 1.00 0.00 C ATOM 199 O GLU A 15 -2.344 -2.892 4.608 1.00 0.00 O ATOM 200 CB GLU A 15 -5.382 -4.197 5.647 1.00 0.00 C ATOM 201 CG GLU A 15 -4.518 -5.441 5.423 1.00 0.00 C ATOM 202 CD GLU A 15 -3.495 -5.564 6.553 1.00 0.00 C ATOM 203 OE1 GLU A 15 -3.911 -5.749 7.685 1.00 0.00 O ATOM 204 OE2 GLU A 15 -2.312 -5.472 6.269 1.00 0.00 O ATOM 0 H GLU A 15 -6.191 -1.975 4.790 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.959 -2.849 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.908 -4.278 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.142 -4.128 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.146 -6.331 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.008 -5.374 4.462 1.00 0.00 H new ATOM 211 N ILE A 16 -4.083 -3.188 3.290 1.00 0.00 N ATOM 212 CA ILE A 16 -3.244 -3.262 2.062 1.00 0.00 C ATOM 213 C ILE A 16 -2.366 -2.024 1.966 1.00 0.00 C ATOM 214 O ILE A 16 -1.191 -2.105 1.685 1.00 0.00 O ATOM 215 CB ILE A 16 -4.155 -3.318 0.842 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.061 -4.539 0.966 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.305 -3.438 -0.423 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.217 -5.805 0.810 1.00 0.00 C ATOM 0 H ILE A 16 -5.085 -3.290 3.129 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.616 -4.152 2.104 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.758 -2.412 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.563 -4.538 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.839 -4.509 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.956 -3.478 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.645 -2.574 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.707 -4.348 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.858 -6.682 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.736 -5.803 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.455 -5.833 1.589 1.00 0.00 H new ATOM 230 N GLN A 17 -2.929 -0.877 2.191 1.00 0.00 N ATOM 231 CA GLN A 17 -2.125 0.363 2.111 1.00 0.00 C ATOM 232 C GLN A 17 -1.026 0.307 3.174 1.00 0.00 C ATOM 233 O GLN A 17 0.040 0.864 3.007 1.00 0.00 O ATOM 234 CB GLN A 17 -3.037 1.572 2.332 1.00 0.00 C ATOM 235 CG GLN A 17 -3.325 1.755 3.824 1.00 0.00 C ATOM 236 CD GLN A 17 -4.211 2.987 4.028 1.00 0.00 C ATOM 237 OE1 GLN A 17 -4.875 3.477 3.015 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -4.304 3.508 5.121 1.00 0.00 N flip ATOM 0 H GLN A 17 -3.912 -0.745 2.427 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.662 0.456 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.565 2.470 1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.972 1.435 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.820 0.869 4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.391 1.871 4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.787 3.127 5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.900 4.326 5.247 1.00 0.00 H new ATOM 247 N GLU A 18 -1.269 -0.384 4.255 1.00 0.00 N ATOM 248 CA GLU A 18 -0.225 -0.499 5.307 1.00 0.00 C ATOM 249 C GLU A 18 0.979 -1.222 4.708 1.00 0.00 C ATOM 250 O GLU A 18 2.113 -0.981 5.077 1.00 0.00 O ATOM 251 CB GLU A 18 -0.769 -1.297 6.494 1.00 0.00 C ATOM 252 CG GLU A 18 -0.395 -0.594 7.799 1.00 0.00 C ATOM 253 CD GLU A 18 0.665 -1.417 8.536 1.00 0.00 C ATOM 254 OE1 GLU A 18 1.297 -2.240 7.896 1.00 0.00 O ATOM 255 OE2 GLU A 18 0.823 -1.210 9.729 1.00 0.00 O ATOM 0 H GLU A 18 -2.143 -0.871 4.453 1.00 0.00 H new ATOM 0 HA GLU A 18 0.066 0.492 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.852 -1.390 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.361 -2.308 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.014 0.406 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.278 -0.474 8.426 1.00 0.00 H new ATOM 262 N ILE A 19 0.739 -2.095 3.768 1.00 0.00 N ATOM 263 CA ILE A 19 1.860 -2.820 3.110 1.00 0.00 C ATOM 264 C ILE A 19 2.665 -1.795 2.312 1.00 0.00 C ATOM 265 O ILE A 19 3.870 -1.872 2.189 1.00 0.00 O ATOM 266 CB ILE A 19 1.288 -3.901 2.172 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.279 -5.062 2.078 1.00 0.00 C ATOM 268 CG2 ILE A 19 1.044 -3.331 0.766 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.558 -4.581 1.391 1.00 0.00 C ATOM 0 H ILE A 19 -0.191 -2.338 3.427 1.00 0.00 H new ATOM 0 HA ILE A 19 2.499 -3.308 3.846 1.00 0.00 H new ATOM 0 HB ILE A 19 0.338 -4.247 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.508 -5.441 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.839 -5.886 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.640 -4.112 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.333 -2.507 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.985 -2.969 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.267 -5.406 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.320 -4.223 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.000 -3.771 1.971 1.00 0.00 H new ATOM 281 N VAL A 20 1.975 -0.831 1.777 1.00 0.00 N ATOM 282 CA VAL A 20 2.634 0.237 0.978 1.00 0.00 C ATOM 283 C VAL A 20 3.443 1.146 1.913 1.00 0.00 C ATOM 284 O VAL A 20 4.134 2.047 1.479 1.00 0.00 O ATOM 285 CB VAL A 20 1.534 1.033 0.267 1.00 0.00 C ATOM 286 CG1 VAL A 20 2.028 2.437 -0.110 1.00 0.00 C ATOM 287 CG2 VAL A 20 1.120 0.281 -0.996 1.00 0.00 C ATOM 0 H VAL A 20 0.963 -0.736 1.861 1.00 0.00 H new ATOM 0 HA VAL A 20 3.317 -0.188 0.242 1.00 0.00 H new ATOM 0 HB VAL A 20 0.684 1.141 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.229 2.981 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.321 2.974 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.886 2.354 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.337 0.838 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.982 0.173 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.745 -0.706 -0.725 1.00 0.00 H new ATOM 297 N ASP A 21 3.350 0.914 3.194 1.00 0.00 N ATOM 298 CA ASP A 21 4.095 1.752 4.178 1.00 0.00 C ATOM 299 C ASP A 21 5.364 1.033 4.643 1.00 0.00 C ATOM 300 O ASP A 21 6.279 1.642 5.160 1.00 0.00 O ATOM 301 CB ASP A 21 3.205 1.975 5.396 1.00 0.00 C ATOM 302 CG ASP A 21 3.098 3.473 5.692 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.012 4.000 6.306 1.00 0.00 O ATOM 304 OD2 ASP A 21 2.107 4.066 5.301 1.00 0.00 O ATOM 0 H ASP A 21 2.784 0.172 3.605 1.00 0.00 H new ATOM 0 HA ASP A 21 4.366 2.696 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.214 1.559 5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.617 1.453 6.260 1.00 0.00 H new ATOM 309 N LYS A 22 5.413 -0.258 4.496 1.00 0.00 N ATOM 310 CA LYS A 22 6.606 -1.015 4.968 1.00 0.00 C ATOM 311 C LYS A 22 7.395 -1.596 3.783 1.00 0.00 C ATOM 312 O LYS A 22 8.600 -1.454 3.711 1.00 0.00 O ATOM 313 CB LYS A 22 6.117 -2.089 5.967 1.00 0.00 C ATOM 314 CG LYS A 22 6.360 -3.516 5.465 1.00 0.00 C ATOM 315 CD LYS A 22 5.135 -3.956 4.659 1.00 0.00 C ATOM 316 CE LYS A 22 4.700 -5.355 5.101 1.00 0.00 C ATOM 317 NZ LYS A 22 3.284 -5.314 5.567 1.00 0.00 N ATOM 0 H LYS A 22 4.680 -0.824 4.070 1.00 0.00 H new ATOM 0 HA LYS A 22 7.309 -0.359 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.627 -1.952 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.052 -1.949 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.256 -3.553 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.525 -4.191 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.319 -3.248 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.370 -3.957 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.801 -6.057 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.347 -5.712 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.234 -5.634 6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.924 -4.340 5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.704 -5.939 4.971 1.00 0.00 H new ATOM 331 N VAL A 23 6.745 -2.233 2.849 1.00 0.00 N ATOM 332 CA VAL A 23 7.492 -2.788 1.685 1.00 0.00 C ATOM 333 C VAL A 23 7.640 -1.688 0.639 1.00 0.00 C ATOM 334 O VAL A 23 8.519 -1.719 -0.200 1.00 0.00 O ATOM 335 CB VAL A 23 6.719 -3.960 1.089 1.00 0.00 C ATOM 336 CG1 VAL A 23 7.273 -4.287 -0.296 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.876 -5.175 1.997 1.00 0.00 C ATOM 0 H VAL A 23 5.738 -2.393 2.840 1.00 0.00 H new ATOM 0 HA VAL A 23 8.474 -3.139 2.003 1.00 0.00 H new ATOM 0 HB VAL A 23 5.665 -3.697 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.720 -5.125 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.169 -3.417 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.327 -4.553 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.326 -6.017 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.931 -5.435 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.483 -4.943 2.987 1.00 0.00 H new ATOM 347 N LYS A 24 6.784 -0.713 0.698 1.00 0.00 N ATOM 348 CA LYS A 24 6.851 0.409 -0.269 1.00 0.00 C ATOM 349 C LYS A 24 6.847 1.736 0.505 1.00 0.00 C ATOM 350 O LYS A 24 6.045 2.606 0.228 1.00 0.00 O ATOM 351 CB LYS A 24 5.636 0.342 -1.190 1.00 0.00 C ATOM 352 CG LYS A 24 5.613 -1.009 -1.911 1.00 0.00 C ATOM 353 CD LYS A 24 4.851 -2.032 -1.066 1.00 0.00 C ATOM 354 CE LYS A 24 4.648 -3.312 -1.877 1.00 0.00 C ATOM 355 NZ LYS A 24 3.218 -3.727 -1.800 1.00 0.00 N ATOM 0 H LYS A 24 6.032 -0.645 1.384 1.00 0.00 H new ATOM 0 HA LYS A 24 7.761 0.341 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.721 0.473 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.673 1.153 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.139 -0.903 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.631 -1.355 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.405 -2.251 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.887 -1.624 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.934 -3.147 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.289 -4.105 -1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.142 -4.611 -1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.665 -2.982 -1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.848 -3.878 -2.760 1.00 0.00 H new ATOM 369 N PRO A 25 7.752 1.853 1.456 1.00 0.00 N ATOM 370 CA PRO A 25 7.880 3.068 2.285 1.00 0.00 C ATOM 371 C PRO A 25 8.512 4.201 1.479 1.00 0.00 C ATOM 372 O PRO A 25 8.721 5.289 1.977 1.00 0.00 O ATOM 373 CB PRO A 25 8.799 2.636 3.430 1.00 0.00 C ATOM 374 CG PRO A 25 9.586 1.414 2.909 1.00 0.00 C ATOM 375 CD PRO A 25 8.731 0.797 1.787 1.00 0.00 C ATOM 0 HA PRO A 25 6.920 3.444 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.475 3.443 3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.221 2.378 4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.564 1.713 2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.758 0.693 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.339 0.533 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.236 -0.115 2.119 1.00 0.00 H new ATOM 383 N GLN A 26 8.785 3.967 0.231 1.00 0.00 N ATOM 384 CA GLN A 26 9.361 5.035 -0.613 1.00 0.00 C ATOM 385 C GLN A 26 8.315 5.324 -1.659 1.00 0.00 C ATOM 386 O GLN A 26 7.928 6.438 -1.883 1.00 0.00 O ATOM 387 CB GLN A 26 10.652 4.542 -1.278 1.00 0.00 C ATOM 388 CG GLN A 26 11.821 4.700 -0.303 1.00 0.00 C ATOM 389 CD GLN A 26 12.673 3.429 -0.312 1.00 0.00 C ATOM 390 OE1 GLN A 26 13.097 2.959 0.727 1.00 0.00 O ATOM 391 NE2 GLN A 26 12.947 2.847 -1.449 1.00 0.00 N ATOM 0 H GLN A 26 8.632 3.076 -0.241 1.00 0.00 H new ATOM 0 HA GLN A 26 9.613 5.923 -0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.547 3.497 -1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.845 5.110 -2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.429 5.559 -0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.446 4.891 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.593 3.239 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.515 2.000 -1.465 1.00 0.00 H new ATOM 400 N LEU A 27 7.813 4.293 -2.249 1.00 0.00 N ATOM 401 CA LEU A 27 6.746 4.437 -3.255 1.00 0.00 C ATOM 402 C LEU A 27 5.512 5.071 -2.596 1.00 0.00 C ATOM 403 O LEU A 27 4.589 5.504 -3.255 1.00 0.00 O ATOM 404 CB LEU A 27 6.404 3.036 -3.743 1.00 0.00 C ATOM 405 CG LEU A 27 7.689 2.291 -4.119 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.532 0.803 -3.810 1.00 0.00 C ATOM 407 CD2 LEU A 27 7.963 2.487 -5.611 1.00 0.00 C ATOM 0 H LEU A 27 8.105 3.332 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 27 7.064 5.070 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.870 2.490 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.740 3.093 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 27 8.525 2.685 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.448 0.277 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.337 0.671 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.699 0.398 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.876 1.959 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.128 2.092 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.080 3.550 -5.823 1.00 0.00 H new ATOM 419 N GLU A 28 5.497 5.102 -1.291 1.00 0.00 N ATOM 420 CA GLU A 28 4.334 5.672 -0.545 1.00 0.00 C ATOM 421 C GLU A 28 4.552 7.153 -0.208 1.00 0.00 C ATOM 422 O GLU A 28 3.631 7.840 0.186 1.00 0.00 O ATOM 423 CB GLU A 28 4.143 4.885 0.753 1.00 0.00 C ATOM 424 CG GLU A 28 3.122 5.596 1.643 1.00 0.00 C ATOM 425 CD GLU A 28 3.855 6.379 2.734 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.490 7.365 2.401 1.00 0.00 O ATOM 427 OE2 GLU A 28 3.769 5.978 3.884 1.00 0.00 O ATOM 0 H GLU A 28 6.251 4.752 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 28 3.450 5.595 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.803 3.874 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.094 4.793 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.510 6.271 1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.447 4.868 2.094 1.00 0.00 H new ATOM 434 N GLU A 29 5.747 7.658 -0.345 1.00 0.00 N ATOM 435 CA GLU A 29 5.978 9.093 -0.013 1.00 0.00 C ATOM 436 C GLU A 29 6.936 9.663 -1.041 1.00 0.00 C ATOM 437 O GLU A 29 7.597 10.660 -0.825 1.00 0.00 O ATOM 438 CB GLU A 29 6.583 9.214 1.388 1.00 0.00 C ATOM 439 CG GLU A 29 7.770 8.259 1.517 1.00 0.00 C ATOM 440 CD GLU A 29 7.984 7.911 2.991 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.716 8.632 3.649 1.00 0.00 O ATOM 442 OE2 GLU A 29 7.413 6.929 3.437 1.00 0.00 O ATOM 0 H GLU A 29 6.567 7.145 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 29 5.036 9.641 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.907 10.239 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.831 8.980 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.586 7.352 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.668 8.720 1.107 1.00 0.00 H new ATOM 449 N LYS A 30 7.009 9.016 -2.159 1.00 0.00 N ATOM 450 CA LYS A 30 7.909 9.462 -3.237 1.00 0.00 C ATOM 451 C LYS A 30 7.090 10.242 -4.240 1.00 0.00 C ATOM 452 O LYS A 30 7.275 11.429 -4.420 1.00 0.00 O ATOM 453 CB LYS A 30 8.488 8.216 -3.880 1.00 0.00 C ATOM 454 CG LYS A 30 9.881 8.513 -4.441 1.00 0.00 C ATOM 455 CD LYS A 30 9.884 8.295 -5.954 1.00 0.00 C ATOM 456 CE LYS A 30 9.598 6.824 -6.259 1.00 0.00 C ATOM 457 NZ LYS A 30 10.883 6.098 -6.456 1.00 0.00 N ATOM 0 H LYS A 30 6.469 8.178 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 30 8.714 10.097 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.547 7.412 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.832 7.871 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.165 9.540 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.620 7.865 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.131 8.928 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.849 8.583 -6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.036 6.375 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.980 6.741 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.688 5.098 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.403 6.522 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.457 6.167 -5.591 1.00 0.00 H new ATOM 471 N THR A 31 6.157 9.591 -4.865 1.00 0.00 N ATOM 472 CA THR A 31 5.286 10.307 -5.824 1.00 0.00 C ATOM 473 C THR A 31 4.835 11.593 -5.135 1.00 0.00 C ATOM 474 O THR A 31 4.601 12.608 -5.760 1.00 0.00 O ATOM 475 CB THR A 31 4.089 9.416 -6.160 1.00 0.00 C ATOM 476 OG1 THR A 31 3.539 9.818 -7.406 1.00 0.00 O ATOM 477 CG2 THR A 31 3.018 9.515 -5.069 1.00 0.00 C ATOM 0 H THR A 31 5.961 8.596 -4.753 1.00 0.00 H new ATOM 0 HA THR A 31 5.803 10.544 -6.754 1.00 0.00 H new ATOM 0 HB THR A 31 4.427 8.381 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.644 10.787 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.175 8.874 -5.327 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.439 9.195 -4.116 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.677 10.547 -4.987 1.00 0.00 H new ATOM 485 N ASN A 32 4.757 11.534 -3.829 1.00 0.00 N ATOM 486 CA ASN A 32 4.371 12.722 -3.026 1.00 0.00 C ATOM 487 C ASN A 32 3.329 13.547 -3.780 1.00 0.00 C ATOM 488 O ASN A 32 3.352 14.762 -3.766 1.00 0.00 O ATOM 489 CB ASN A 32 5.634 13.550 -2.766 1.00 0.00 C ATOM 490 CG ASN A 32 6.151 14.133 -4.083 1.00 0.00 C ATOM 491 OD1 ASN A 32 5.418 14.771 -4.812 1.00 0.00 O ATOM 492 ND2 ASN A 32 7.396 13.938 -4.423 1.00 0.00 N ATOM 0 H ASN A 32 4.949 10.695 -3.281 1.00 0.00 H new ATOM 0 HA ASN A 32 3.930 12.415 -2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.415 14.354 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.401 12.926 -2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.751 14.321 -5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.014 13.403 -3.813 1.00 0.00 H new ATOM 499 N GLU A 33 2.410 12.892 -4.436 1.00 0.00 N ATOM 500 CA GLU A 33 1.366 13.635 -5.194 1.00 0.00 C ATOM 501 C GLU A 33 0.452 14.369 -4.212 1.00 0.00 C ATOM 502 O GLU A 33 0.304 13.972 -3.073 1.00 0.00 O ATOM 503 CB GLU A 33 0.538 12.648 -6.019 1.00 0.00 C ATOM 504 CG GLU A 33 0.652 13.001 -7.503 1.00 0.00 C ATOM 505 CD GLU A 33 1.940 12.402 -8.072 1.00 0.00 C ATOM 506 OE1 GLU A 33 2.891 12.271 -7.318 1.00 0.00 O ATOM 507 OE2 GLU A 33 1.953 12.083 -9.248 1.00 0.00 O ATOM 0 H GLU A 33 2.338 11.875 -4.479 1.00 0.00 H new ATOM 0 HA GLU A 33 1.841 14.356 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.890 11.630 -5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.505 12.681 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.211 12.617 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.654 14.083 -7.631 1.00 0.00 H new ATOM 514 N THR A 34 -0.168 15.433 -4.644 1.00 0.00 N ATOM 515 CA THR A 34 -1.078 16.184 -3.732 1.00 0.00 C ATOM 516 C THR A 34 -2.472 15.554 -3.782 1.00 0.00 C ATOM 517 O THR A 34 -3.474 16.238 -3.820 1.00 0.00 O ATOM 518 CB THR A 34 -1.164 17.646 -4.178 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.996 18.363 -3.278 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.751 17.719 -5.589 1.00 0.00 C ATOM 0 H THR A 34 -0.084 15.814 -5.586 1.00 0.00 H new ATOM 0 HA THR A 34 -0.690 16.141 -2.714 1.00 0.00 H new ATOM 0 HB THR A 34 -0.166 18.085 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.878 17.938 -3.239 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.811 18.761 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.111 17.168 -6.278 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.749 17.281 -5.591 1.00 0.00 H new ATOM 528 N TYR A 35 -2.539 14.251 -3.781 1.00 0.00 N ATOM 529 CA TYR A 35 -3.861 13.569 -3.829 1.00 0.00 C ATOM 530 C TYR A 35 -3.838 12.360 -2.903 1.00 0.00 C ATOM 531 O TYR A 35 -3.094 12.306 -1.944 1.00 0.00 O ATOM 532 CB TYR A 35 -4.140 13.085 -5.253 1.00 0.00 C ATOM 533 CG TYR A 35 -3.610 14.097 -6.241 1.00 0.00 C ATOM 534 CD1 TYR A 35 -4.265 15.324 -6.401 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.464 13.813 -6.994 1.00 0.00 C ATOM 536 CE1 TYR A 35 -3.778 16.266 -7.313 1.00 0.00 C ATOM 537 CE2 TYR A 35 -1.975 14.757 -7.908 1.00 0.00 C ATOM 538 CZ TYR A 35 -2.633 15.983 -8.068 1.00 0.00 C ATOM 539 OH TYR A 35 -2.151 16.913 -8.966 1.00 0.00 O ATOM 0 H TYR A 35 -1.732 13.628 -3.749 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.636 14.269 -3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.667 12.117 -5.419 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.211 12.946 -5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.148 15.544 -5.819 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.957 12.867 -6.871 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.285 17.212 -7.435 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.091 14.539 -8.489 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.350 16.559 -9.406 1.00 0.00 H new ATOM 549 N GLY A 36 -4.639 11.381 -3.201 1.00 0.00 N ATOM 550 CA GLY A 36 -4.662 10.156 -2.365 1.00 0.00 C ATOM 551 C GLY A 36 -4.190 8.986 -3.222 1.00 0.00 C ATOM 552 O GLY A 36 -4.928 8.058 -3.479 1.00 0.00 O ATOM 0 H GLY A 36 -5.282 11.377 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.015 10.276 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.668 9.971 -1.990 1.00 0.00 H new ATOM 556 N LYS A 37 -2.960 9.017 -3.663 1.00 0.00 N ATOM 557 CA LYS A 37 -2.446 7.908 -4.487 1.00 0.00 C ATOM 558 C LYS A 37 -1.070 7.558 -3.933 1.00 0.00 C ATOM 559 O LYS A 37 -0.169 7.176 -4.625 1.00 0.00 O ATOM 560 CB LYS A 37 -2.340 8.351 -5.948 1.00 0.00 C ATOM 561 CG LYS A 37 -3.733 8.363 -6.585 1.00 0.00 C ATOM 562 CD LYS A 37 -4.356 9.754 -6.440 1.00 0.00 C ATOM 563 CE LYS A 37 -3.715 10.711 -7.448 1.00 0.00 C ATOM 564 NZ LYS A 37 -4.146 10.345 -8.826 1.00 0.00 N ATOM 0 H LYS A 37 -2.295 9.769 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.109 7.044 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.894 9.344 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.684 7.675 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.664 8.093 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.368 7.618 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.432 9.701 -6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.209 10.126 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.005 11.738 -7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.629 10.663 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.070 11.177 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.537 9.585 -9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.133 10.018 -8.806 1.00 0.00 H new ATOM 578 N LEU A 38 -0.913 7.739 -2.667 1.00 0.00 N ATOM 579 CA LEU A 38 0.369 7.490 -2.002 1.00 0.00 C ATOM 580 C LEU A 38 0.162 6.355 -1.021 1.00 0.00 C ATOM 581 O LEU A 38 0.351 6.512 0.167 1.00 0.00 O ATOM 582 CB LEU A 38 0.694 8.738 -1.216 1.00 0.00 C ATOM 583 CG LEU A 38 0.299 10.011 -1.994 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.444 9.828 -3.509 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.130 10.425 -1.648 1.00 0.00 C ATOM 0 H LEU A 38 -1.653 8.062 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 38 1.160 7.245 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.169 8.716 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.761 8.762 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 38 0.986 10.801 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.155 10.749 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.480 9.591 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.200 9.014 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.393 11.324 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.816 9.620 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.202 10.626 -0.579 1.00 0.00 H new ATOM 597 N GLU A 39 -0.273 5.239 -1.493 1.00 0.00 N ATOM 598 CA GLU A 39 -0.557 4.119 -0.573 1.00 0.00 C ATOM 599 C GLU A 39 -0.982 2.919 -1.409 1.00 0.00 C ATOM 600 O GLU A 39 -0.626 2.805 -2.565 1.00 0.00 O ATOM 601 CB GLU A 39 -1.701 4.556 0.348 1.00 0.00 C ATOM 602 CG GLU A 39 -1.291 4.371 1.813 1.00 0.00 C ATOM 603 CD GLU A 39 -0.632 5.648 2.335 1.00 0.00 C ATOM 604 OE1 GLU A 39 -1.185 6.712 2.107 1.00 0.00 O ATOM 605 OE2 GLU A 39 0.413 5.542 2.953 1.00 0.00 O ATOM 0 H GLU A 39 -0.446 5.049 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 39 0.315 3.852 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.952 5.600 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.595 3.970 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.166 4.130 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.601 3.532 1.903 1.00 0.00 H new ATOM 612 N ALA A 40 -1.757 2.043 -0.863 1.00 0.00 N ATOM 613 CA ALA A 40 -2.216 0.883 -1.671 1.00 0.00 C ATOM 614 C ALA A 40 -3.202 1.393 -2.720 1.00 0.00 C ATOM 615 O ALA A 40 -3.760 2.458 -2.587 1.00 0.00 O ATOM 616 CB ALA A 40 -2.913 -0.135 -0.768 1.00 0.00 C ATOM 0 H ALA A 40 -2.094 2.072 0.099 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.365 0.401 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.247 -0.983 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.216 -0.481 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.773 0.333 -0.289 1.00 0.00 H new ATOM 622 N VAL A 41 -3.425 0.643 -3.756 1.00 0.00 N ATOM 623 CA VAL A 41 -4.381 1.082 -4.806 1.00 0.00 C ATOM 624 C VAL A 41 -5.693 0.348 -4.581 1.00 0.00 C ATOM 625 O VAL A 41 -6.768 0.878 -4.778 1.00 0.00 O ATOM 626 CB VAL A 41 -3.800 0.733 -6.194 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.687 -0.276 -6.904 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.719 1.988 -7.061 1.00 0.00 C ATOM 0 H VAL A 41 -2.984 -0.261 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.548 2.158 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.806 0.312 -6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.262 -0.510 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.751 -1.187 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.684 0.144 -7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.308 1.730 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.717 2.408 -7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.074 2.723 -6.578 1.00 0.00 H new ATOM 638 N GLN A 42 -5.595 -0.888 -4.195 1.00 0.00 N ATOM 639 CA GLN A 42 -6.819 -1.694 -3.978 1.00 0.00 C ATOM 640 C GLN A 42 -6.419 -3.158 -3.827 1.00 0.00 C ATOM 641 O GLN A 42 -5.308 -3.548 -4.127 1.00 0.00 O ATOM 642 CB GLN A 42 -7.770 -1.483 -5.182 1.00 0.00 C ATOM 643 CG GLN A 42 -8.311 -2.819 -5.738 1.00 0.00 C ATOM 644 CD GLN A 42 -7.181 -3.564 -6.455 1.00 0.00 C ATOM 645 OE1 GLN A 42 -6.938 -4.803 -6.134 1.00 0.00 O flip ATOM 646 NE2 GLN A 42 -6.517 -3.013 -7.311 1.00 0.00 N flip ATOM 0 H GLN A 42 -4.716 -1.376 -4.020 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.340 -1.387 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.606 -0.853 -4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.241 -0.950 -5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.707 -3.430 -4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.134 -2.632 -6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.710 -2.043 -7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.767 -3.521 -7.780 1.00 0.00 H new ATOM 655 N TYR A 43 -7.322 -3.965 -3.374 1.00 0.00 N ATOM 656 CA TYR A 43 -7.017 -5.399 -3.205 1.00 0.00 C ATOM 657 C TYR A 43 -8.278 -6.200 -3.488 1.00 0.00 C ATOM 658 O TYR A 43 -9.273 -6.074 -2.801 1.00 0.00 O ATOM 659 CB TYR A 43 -6.562 -5.654 -1.781 1.00 0.00 C ATOM 660 CG TYR A 43 -7.706 -5.351 -0.842 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.242 -4.056 -0.775 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.241 -6.369 -0.048 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.314 -3.788 0.083 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.310 -6.098 0.815 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.848 -4.808 0.880 1.00 0.00 C ATOM 666 OH TYR A 43 -10.903 -4.541 1.728 1.00 0.00 O ATOM 0 H TYR A 43 -8.268 -3.689 -3.111 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.225 -5.697 -3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.244 -6.690 -1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.702 -5.029 -1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.827 -3.267 -1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.829 -7.366 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.730 -2.793 0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.719 -6.885 1.431 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.152 -5.359 2.207 1.00 0.00 H new ATOM 676 N LYS A 44 -8.249 -7.017 -4.495 1.00 0.00 N ATOM 677 CA LYS A 44 -9.445 -7.817 -4.821 1.00 0.00 C ATOM 678 C LYS A 44 -9.291 -9.187 -4.153 1.00 0.00 C ATOM 679 O LYS A 44 -8.196 -9.681 -3.995 1.00 0.00 O ATOM 680 CB LYS A 44 -9.581 -7.927 -6.359 1.00 0.00 C ATOM 681 CG LYS A 44 -9.609 -9.391 -6.841 1.00 0.00 C ATOM 682 CD LYS A 44 -11.021 -9.964 -6.691 1.00 0.00 C ATOM 683 CE LYS A 44 -11.991 -9.195 -7.588 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.390 -10.054 -8.738 1.00 0.00 N ATOM 0 H LYS A 44 -7.446 -7.164 -5.106 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.356 -7.349 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.494 -7.425 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.749 -7.407 -6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.294 -9.446 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.902 -9.987 -6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.025 -11.021 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.342 -9.897 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.872 -8.898 -7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.522 -8.280 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.076 -9.544 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.550 -10.288 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.823 -10.930 -8.383 1.00 0.00 H new ATOM 698 N THR A 45 -10.359 -9.802 -3.752 1.00 0.00 N ATOM 699 CA THR A 45 -10.227 -11.130 -3.098 1.00 0.00 C ATOM 700 C THR A 45 -11.014 -12.178 -3.877 1.00 0.00 C ATOM 701 O THR A 45 -12.088 -11.921 -4.386 1.00 0.00 O ATOM 702 CB THR A 45 -10.767 -11.055 -1.668 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.586 -9.901 -1.535 1.00 0.00 O ATOM 704 CG2 THR A 45 -9.603 -10.977 -0.682 1.00 0.00 C ATOM 0 H THR A 45 -11.312 -9.450 -3.846 1.00 0.00 H new ATOM 0 HA THR A 45 -9.174 -11.411 -3.080 1.00 0.00 H new ATOM 0 HB THR A 45 -11.357 -11.946 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.935 -9.851 -0.621 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.991 -10.924 0.335 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.978 -11.864 -0.786 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.008 -10.088 -0.891 1.00 0.00 H new ATOM 712 N GLN A 46 -10.484 -13.361 -3.964 1.00 0.00 N ATOM 713 CA GLN A 46 -11.180 -14.450 -4.696 1.00 0.00 C ATOM 714 C GLN A 46 -10.538 -15.777 -4.304 1.00 0.00 C ATOM 715 O GLN A 46 -9.428 -15.812 -3.816 1.00 0.00 O ATOM 716 CB GLN A 46 -11.033 -14.233 -6.203 1.00 0.00 C ATOM 717 CG GLN A 46 -9.676 -13.593 -6.499 1.00 0.00 C ATOM 718 CD GLN A 46 -9.468 -13.511 -8.011 1.00 0.00 C ATOM 719 OE1 GLN A 46 -9.307 -12.344 -8.572 1.00 0.00 O flip ATOM 720 NE2 GLN A 46 -9.447 -14.519 -8.689 1.00 0.00 N flip ATOM 0 H GLN A 46 -9.588 -13.624 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.240 -14.455 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.120 -15.184 -6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.836 -13.593 -6.568 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.629 -12.596 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.878 -14.180 -6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.573 -15.431 -8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.303 -14.453 -9.697 1.00 0.00 H new ATOM 729 N VAL A 47 -11.220 -16.865 -4.505 1.00 0.00 N ATOM 730 CA VAL A 47 -10.632 -18.184 -4.133 1.00 0.00 C ATOM 731 C VAL A 47 -9.707 -18.659 -5.236 1.00 0.00 C ATOM 732 O VAL A 47 -9.153 -17.870 -5.975 1.00 0.00 O ATOM 733 CB VAL A 47 -11.745 -19.213 -3.913 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.334 -20.175 -2.797 1.00 0.00 C ATOM 735 CG2 VAL A 47 -13.039 -18.498 -3.512 1.00 0.00 C ATOM 0 H VAL A 47 -12.156 -16.902 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.065 -18.072 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.909 -19.768 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.125 -20.908 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.415 -20.688 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.169 -19.615 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.828 -19.234 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.876 -17.940 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.335 -17.810 -4.304 1.00 0.00 H new ATOM 745 N VAL A 48 -9.520 -19.946 -5.313 1.00 0.00 N ATOM 746 CA VAL A 48 -8.607 -20.541 -6.325 1.00 0.00 C ATOM 747 C VAL A 48 -8.332 -21.973 -5.886 1.00 0.00 C ATOM 748 O VAL A 48 -8.403 -22.920 -6.642 1.00 0.00 O ATOM 749 CB VAL A 48 -7.289 -19.729 -6.343 1.00 0.00 C ATOM 750 CG1 VAL A 48 -6.168 -20.432 -5.564 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.844 -19.505 -7.789 1.00 0.00 C ATOM 0 H VAL A 48 -9.973 -20.626 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.043 -20.525 -7.324 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.483 -18.774 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.262 -19.827 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.473 -20.562 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.972 -21.407 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.916 -18.933 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.682 -20.468 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.616 -18.954 -8.326 1.00 0.00 H new ATOM 761 N ALA A 49 -7.988 -22.077 -4.643 1.00 0.00 N ATOM 762 CA ALA A 49 -7.643 -23.376 -4.006 1.00 0.00 C ATOM 763 C ALA A 49 -6.660 -23.037 -2.889 1.00 0.00 C ATOM 764 O ALA A 49 -5.600 -23.616 -2.759 1.00 0.00 O ATOM 765 CB ALA A 49 -6.991 -24.313 -5.028 1.00 0.00 C ATOM 0 H ALA A 49 -7.928 -21.279 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.527 -23.886 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.744 -25.260 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.684 -24.493 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.081 -23.854 -5.414 1.00 0.00 H new ATOM 771 N GLY A 50 -7.020 -22.054 -2.112 1.00 0.00 N ATOM 772 CA GLY A 50 -6.157 -21.564 -1.001 1.00 0.00 C ATOM 773 C GLY A 50 -6.587 -20.125 -0.706 1.00 0.00 C ATOM 774 O GLY A 50 -6.458 -19.643 0.401 1.00 0.00 O ATOM 0 H GLY A 50 -7.905 -21.555 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.273 -22.191 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.105 -21.603 -1.283 1.00 0.00 H new ATOM 778 N THR A 51 -7.115 -19.467 -1.720 1.00 0.00 N ATOM 779 CA THR A 51 -7.620 -18.062 -1.613 1.00 0.00 C ATOM 780 C THR A 51 -6.636 -17.090 -2.270 1.00 0.00 C ATOM 781 O THR A 51 -5.629 -16.726 -1.697 1.00 0.00 O ATOM 782 CB THR A 51 -7.830 -17.675 -0.157 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.569 -18.697 0.499 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.604 -16.357 -0.085 1.00 0.00 C ATOM 0 H THR A 51 -7.218 -19.869 -2.652 1.00 0.00 H new ATOM 0 HA THR A 51 -8.577 -18.006 -2.132 1.00 0.00 H new ATOM 0 HB THR A 51 -6.863 -17.553 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.969 -19.216 1.074 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.754 -16.080 0.958 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.038 -15.575 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.572 -16.476 -0.572 1.00 0.00 H new ATOM 792 N ASN A 52 -6.923 -16.673 -3.477 1.00 0.00 N ATOM 793 CA ASN A 52 -6.009 -15.728 -4.183 1.00 0.00 C ATOM 794 C ASN A 52 -6.242 -14.289 -3.703 1.00 0.00 C ATOM 795 O ASN A 52 -7.318 -13.932 -3.267 1.00 0.00 O ATOM 796 CB ASN A 52 -6.296 -15.790 -5.681 1.00 0.00 C ATOM 797 CG ASN A 52 -4.988 -15.661 -6.460 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.554 -14.567 -6.763 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.336 -16.739 -6.797 1.00 0.00 N ATOM 0 H ASN A 52 -7.752 -16.947 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.979 -16.013 -3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.787 -16.731 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.980 -14.990 -5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.461 -16.665 -7.315 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.701 -17.657 -6.542 1.00 0.00 H new ATOM 806 N TYR A 53 -5.241 -13.453 -3.819 1.00 0.00 N ATOM 807 CA TYR A 53 -5.395 -12.024 -3.412 1.00 0.00 C ATOM 808 C TYR A 53 -4.684 -11.144 -4.435 1.00 0.00 C ATOM 809 O TYR A 53 -3.538 -11.361 -4.774 1.00 0.00 O ATOM 810 CB TYR A 53 -4.782 -11.771 -2.030 1.00 0.00 C ATOM 811 CG TYR A 53 -5.262 -12.809 -1.042 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.631 -12.978 -0.810 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.332 -13.592 -0.346 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.072 -13.930 0.116 1.00 0.00 C ATOM 815 CE2 TYR A 53 -4.772 -14.543 0.582 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.142 -14.713 0.813 1.00 0.00 C ATOM 817 OH TYR A 53 -6.573 -15.649 1.731 1.00 0.00 O ATOM 0 H TYR A 53 -4.320 -13.701 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.458 -11.789 -3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.694 -11.799 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.054 -10.775 -1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.348 -12.374 -1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.275 -13.462 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.129 -14.061 0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.055 -15.145 1.120 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.798 -16.104 2.122 1.00 0.00 H new ATOM 827 N TYR A 54 -5.365 -10.157 -4.929 1.00 0.00 N ATOM 828 CA TYR A 54 -4.758 -9.248 -5.938 1.00 0.00 C ATOM 829 C TYR A 54 -4.493 -7.887 -5.289 1.00 0.00 C ATOM 830 O TYR A 54 -5.371 -7.053 -5.210 1.00 0.00 O ATOM 831 CB TYR A 54 -5.748 -9.088 -7.089 1.00 0.00 C ATOM 832 CG TYR A 54 -5.107 -9.547 -8.377 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.094 -8.782 -8.961 1.00 0.00 C ATOM 834 CD2 TYR A 54 -5.525 -10.738 -8.983 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.498 -9.205 -10.155 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.928 -11.162 -10.177 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.913 -10.394 -10.763 1.00 0.00 C ATOM 838 OH TYR A 54 -3.324 -10.811 -11.938 1.00 0.00 O ATOM 0 H TYR A 54 -6.328 -9.936 -4.676 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.817 -9.655 -6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.648 -9.670 -6.891 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.055 -8.046 -7.175 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.771 -7.865 -8.491 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.307 -11.329 -8.530 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.717 -8.612 -10.607 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.250 -12.080 -10.646 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.729 -11.656 -12.225 1.00 0.00 H new ATOM 848 N ILE A 55 -3.303 -7.654 -4.800 1.00 0.00 N ATOM 849 CA ILE A 55 -3.022 -6.354 -4.137 1.00 0.00 C ATOM 850 C ILE A 55 -2.343 -5.383 -5.095 1.00 0.00 C ATOM 851 O ILE A 55 -1.135 -5.288 -5.150 1.00 0.00 O ATOM 852 CB ILE A 55 -2.110 -6.601 -2.936 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.611 -7.819 -2.156 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.111 -5.375 -2.028 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.121 -7.703 -1.934 1.00 0.00 C ATOM 0 H ILE A 55 -2.520 -8.306 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.966 -5.912 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.095 -6.787 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.383 -8.733 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.097 -7.886 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.460 -5.555 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.749 -4.510 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.125 -5.183 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.475 -8.571 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.337 -6.797 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.628 -7.658 -2.898 1.00 0.00 H new ATOM 867 N LYS A 56 -3.118 -4.618 -5.809 1.00 0.00 N ATOM 868 CA LYS A 56 -2.536 -3.610 -6.721 1.00 0.00 C ATOM 869 C LYS A 56 -2.164 -2.405 -5.853 1.00 0.00 C ATOM 870 O LYS A 56 -3.021 -1.805 -5.237 1.00 0.00 O ATOM 871 CB LYS A 56 -3.592 -3.213 -7.745 1.00 0.00 C ATOM 872 CG LYS A 56 -2.995 -2.210 -8.736 1.00 0.00 C ATOM 873 CD LYS A 56 -4.042 -1.839 -9.789 1.00 0.00 C ATOM 874 CE LYS A 56 -3.749 -2.593 -11.088 1.00 0.00 C ATOM 875 NZ LYS A 56 -3.093 -1.673 -12.062 1.00 0.00 N ATOM 0 H LYS A 56 -4.137 -4.652 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.662 -3.989 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.948 -4.096 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.454 -2.774 -7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.664 -1.316 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.117 -2.639 -9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.040 -2.088 -9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.027 -0.764 -9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.103 -3.447 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.674 -2.986 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.894 -2.186 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.725 -0.872 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.202 -1.319 -11.659 1.00 0.00 H new ATOM 889 N VAL A 57 -0.912 -2.058 -5.752 1.00 0.00 N ATOM 890 CA VAL A 57 -0.565 -0.909 -4.862 1.00 0.00 C ATOM 891 C VAL A 57 -0.517 0.408 -5.654 1.00 0.00 C ATOM 892 O VAL A 57 -0.182 0.447 -6.821 1.00 0.00 O ATOM 893 CB VAL A 57 0.762 -1.173 -4.115 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.566 -2.260 -4.807 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.586 0.110 -4.021 1.00 0.00 C ATOM 0 H VAL A 57 -0.130 -2.504 -6.232 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.350 -0.810 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 57 0.521 -1.512 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.495 -2.428 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.987 -3.183 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.794 -1.951 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.517 -0.094 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.810 0.473 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.019 0.868 -3.480 1.00 0.00 H new ATOM 905 N ARG A 58 -0.882 1.482 -5.002 1.00 0.00 N ATOM 906 CA ARG A 58 -0.903 2.826 -5.655 1.00 0.00 C ATOM 907 C ARG A 58 0.366 3.615 -5.320 1.00 0.00 C ATOM 908 O ARG A 58 0.804 3.651 -4.186 1.00 0.00 O ATOM 909 CB ARG A 58 -2.158 3.575 -5.133 1.00 0.00 C ATOM 910 CG ARG A 58 -1.832 4.947 -4.494 1.00 0.00 C ATOM 911 CD ARG A 58 -2.653 5.129 -3.215 1.00 0.00 C ATOM 912 NE ARG A 58 -4.040 4.654 -3.456 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.042 5.191 -2.817 1.00 0.00 C ATOM 914 NH1 ARG A 58 -5.140 5.053 -1.523 1.00 0.00 N ATOM 915 NH2 ARG A 58 -5.950 5.866 -3.472 1.00 0.00 N ATOM 0 H ARG A 58 -1.172 1.484 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.940 2.718 -6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.854 3.723 -5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.665 2.951 -4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.768 5.009 -4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.055 5.749 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.201 4.570 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.661 6.178 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.210 3.903 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.433 4.525 -1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.924 5.473 -1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.875 5.973 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.733 6.286 -2.971 1.00 0.00 H new ATOM 929 N ALA A 59 0.924 4.303 -6.281 1.00 0.00 N ATOM 930 CA ALA A 59 2.117 5.133 -5.981 1.00 0.00 C ATOM 931 C ALA A 59 1.884 6.537 -6.525 1.00 0.00 C ATOM 932 O ALA A 59 2.812 7.275 -6.760 1.00 0.00 O ATOM 933 CB ALA A 59 3.363 4.536 -6.631 1.00 0.00 C ATOM 0 H ALA A 59 0.606 4.324 -7.250 1.00 0.00 H new ATOM 0 HA ALA A 59 2.271 5.165 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.228 5.158 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.527 3.529 -6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.225 4.494 -7.711 1.00 0.00 H new ATOM 939 N GLY A 60 0.654 6.930 -6.708 1.00 0.00 N ATOM 940 CA GLY A 60 0.401 8.307 -7.216 1.00 0.00 C ATOM 941 C GLY A 60 -0.369 8.237 -8.536 1.00 0.00 C ATOM 942 O GLY A 60 -1.114 7.309 -8.784 1.00 0.00 O ATOM 0 H GLY A 60 -0.177 6.366 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.168 8.877 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.346 8.830 -7.363 1.00 0.00 H new ATOM 946 N ASP A 61 -0.193 9.209 -9.390 1.00 0.00 N ATOM 947 CA ASP A 61 -0.912 9.194 -10.696 1.00 0.00 C ATOM 948 C ASP A 61 0.028 8.675 -11.788 1.00 0.00 C ATOM 949 O ASP A 61 -0.404 8.240 -12.837 1.00 0.00 O ATOM 950 CB ASP A 61 -1.367 10.612 -11.047 1.00 0.00 C ATOM 951 CG ASP A 61 -2.183 10.581 -12.340 1.00 0.00 C ATOM 952 OD1 ASP A 61 -3.259 10.007 -12.326 1.00 0.00 O ATOM 953 OD2 ASP A 61 -1.718 11.131 -13.325 1.00 0.00 O ATOM 0 H ASP A 61 0.417 10.012 -9.240 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.783 8.542 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.967 11.024 -10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.502 11.264 -11.166 1.00 0.00 H new ATOM 958 N ASN A 62 1.311 8.719 -11.549 1.00 0.00 N ATOM 959 CA ASN A 62 2.275 8.229 -12.570 1.00 0.00 C ATOM 960 C ASN A 62 2.955 6.956 -12.065 1.00 0.00 C ATOM 961 O ASN A 62 3.290 6.075 -12.833 1.00 0.00 O ATOM 962 CB ASN A 62 3.338 9.299 -12.858 1.00 0.00 C ATOM 963 CG ASN A 62 3.358 10.346 -11.739 1.00 0.00 C ATOM 964 OD1 ASN A 62 3.900 10.045 -10.590 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 2.877 11.447 -11.913 1.00 0.00 N flip ATOM 0 H ASN A 62 1.731 9.074 -10.690 1.00 0.00 H new ATOM 0 HA ASN A 62 1.732 8.014 -13.491 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.319 8.832 -12.945 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.128 9.781 -13.813 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.454 11.682 -12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.896 12.137 -11.162 1.00 0.00 H new ATOM 972 N LYS A 63 3.156 6.844 -10.780 1.00 0.00 N ATOM 973 CA LYS A 63 3.808 5.619 -10.234 1.00 0.00 C ATOM 974 C LYS A 63 2.727 4.584 -9.909 1.00 0.00 C ATOM 975 O LYS A 63 1.614 4.921 -9.542 1.00 0.00 O ATOM 976 CB LYS A 63 4.585 5.973 -8.967 1.00 0.00 C ATOM 977 CG LYS A 63 5.792 6.839 -9.329 1.00 0.00 C ATOM 978 CD LYS A 63 5.722 8.157 -8.557 1.00 0.00 C ATOM 979 CE LYS A 63 6.645 9.185 -9.210 1.00 0.00 C ATOM 980 NZ LYS A 63 7.682 9.615 -8.231 1.00 0.00 N ATOM 0 H LYS A 63 2.898 7.546 -10.086 1.00 0.00 H new ATOM 0 HA LYS A 63 4.499 5.208 -10.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.939 6.506 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.915 5.064 -8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.716 6.313 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.805 7.033 -10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.698 8.529 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.015 7.998 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.119 8.755 -10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.068 10.046 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.805 10.646 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.382 9.353 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.584 9.146 -8.452 1.00 0.00 H new ATOM 994 N TYR A 64 3.037 3.323 -10.038 1.00 0.00 N ATOM 995 CA TYR A 64 2.019 2.285 -9.751 1.00 0.00 C ATOM 996 C TYR A 64 2.726 0.968 -9.470 1.00 0.00 C ATOM 997 O TYR A 64 3.644 0.586 -10.164 1.00 0.00 O ATOM 998 CB TYR A 64 1.108 2.120 -10.968 1.00 0.00 C ATOM 999 CG TYR A 64 -0.319 2.426 -10.581 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -0.805 3.733 -10.689 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.154 1.403 -10.117 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.128 4.019 -10.331 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.477 1.689 -9.759 1.00 0.00 C ATOM 1004 CZ TYR A 64 -2.965 2.996 -9.866 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.269 3.277 -9.514 1.00 0.00 O ATOM 0 H TYR A 64 3.949 2.972 -10.329 1.00 0.00 H new ATOM 0 HA TYR A 64 1.422 2.578 -8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.429 2.787 -11.768 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.180 1.103 -11.353 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.160 4.521 -11.048 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.778 0.394 -10.035 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.503 5.028 -10.413 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.121 0.900 -9.400 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.829 2.489 -9.676 1.00 0.00 H new ATOM 1015 N LEU A 65 2.309 0.274 -8.461 1.00 0.00 N ATOM 1016 CA LEU A 65 2.967 -1.012 -8.140 1.00 0.00 C ATOM 1017 C LEU A 65 1.931 -2.116 -8.117 1.00 0.00 C ATOM 1018 O LEU A 65 0.794 -1.916 -8.500 1.00 0.00 O ATOM 1019 CB LEU A 65 3.656 -0.904 -6.789 1.00 0.00 C ATOM 1020 CG LEU A 65 4.465 0.401 -6.764 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.526 1.566 -6.470 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.545 0.344 -5.680 1.00 0.00 C ATOM 0 H LEU A 65 1.542 0.540 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 65 3.714 -1.245 -8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.919 -0.910 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.311 -1.760 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 65 4.944 0.536 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.095 2.496 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.763 1.623 -7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.048 1.413 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.108 1.277 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.076 0.200 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.221 -0.487 -5.883 1.00 0.00 H new ATOM 1034 N HIS A 66 2.295 -3.291 -7.701 1.00 0.00 N ATOM 1035 CA HIS A 66 1.292 -4.363 -7.718 1.00 0.00 C ATOM 1036 C HIS A 66 1.792 -5.622 -7.002 1.00 0.00 C ATOM 1037 O HIS A 66 2.975 -5.862 -6.869 1.00 0.00 O ATOM 1038 CB HIS A 66 1.009 -4.671 -9.174 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.342 -5.273 -9.288 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.370 -4.637 -9.944 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -0.858 -6.435 -8.800 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.453 -5.412 -9.829 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.198 -6.527 -9.142 1.00 0.00 N ATOM 0 H HIS A 66 3.222 -3.545 -7.359 1.00 0.00 H new ATOM 0 HA HIS A 66 0.394 -4.041 -7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.066 -3.760 -9.769 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.760 -5.356 -9.567 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.308 -7.172 -8.234 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.419 -5.165 -10.243 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.847 -7.281 -8.918 1.00 0.00 H new ATOM 1051 N LEU A 67 0.867 -6.417 -6.541 1.00 0.00 N ATOM 1052 CA LEU A 67 1.197 -7.675 -5.821 1.00 0.00 C ATOM 1053 C LEU A 67 0.001 -8.605 -5.910 1.00 0.00 C ATOM 1054 O LEU A 67 -1.098 -8.206 -6.232 1.00 0.00 O ATOM 1055 CB LEU A 67 1.425 -7.358 -4.345 1.00 0.00 C ATOM 1056 CG LEU A 67 1.433 -8.649 -3.509 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.688 -9.468 -3.798 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.423 -8.266 -2.033 1.00 0.00 C ATOM 0 H LEU A 67 -0.133 -6.240 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 67 2.086 -8.130 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.372 -6.833 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.642 -6.690 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 67 0.558 -9.247 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.675 -10.377 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.715 -9.732 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.571 -8.880 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.428 -9.169 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.306 -7.669 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.527 -7.685 -1.814 1.00 0.00 H new ATOM 1070 N LYS A 68 0.212 -9.830 -5.583 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.860 -10.814 -5.570 1.00 0.00 C ATOM 1072 C LYS A 68 -0.585 -11.694 -4.394 1.00 0.00 C ATOM 1073 O LYS A 68 0.273 -12.554 -4.481 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.735 -11.670 -6.781 1.00 0.00 C ATOM 1075 CG LYS A 68 -2.014 -12.463 -7.011 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.963 -13.726 -6.146 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.642 -14.964 -6.996 1.00 0.00 C ATOM 1078 NZ LYS A 68 -2.252 -14.833 -8.351 1.00 0.00 N ATOM 0 H LYS A 68 1.124 -10.198 -5.314 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.840 -10.338 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.524 -11.049 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.107 -12.353 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.885 -11.861 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.111 -12.728 -8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.208 -13.608 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.920 -13.865 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.562 -15.082 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.021 -15.860 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.236 -15.756 -8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.236 -14.508 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.710 -14.143 -8.910 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.251 -11.514 -3.306 1.00 0.00 N ATOM 1093 CA VAL A 69 -0.938 -12.396 -2.177 1.00 0.00 C ATOM 1094 C VAL A 69 -1.751 -13.679 -2.334 1.00 0.00 C ATOM 1095 O VAL A 69 -2.937 -13.645 -2.587 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.264 -11.712 -0.847 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -0.536 -12.429 0.291 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.806 -10.254 -0.903 1.00 0.00 C ATOM 0 H VAL A 69 -1.978 -10.815 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 69 0.127 -12.627 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.339 -11.753 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.769 -11.941 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.858 -13.469 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.539 -12.389 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.037 -9.764 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.269 -10.217 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.324 -9.741 -1.713 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.126 -14.815 -2.232 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.891 -16.072 -2.425 1.00 0.00 C ATOM 1110 C PHE A 70 -1.518 -17.110 -1.367 1.00 0.00 C ATOM 1111 O PHE A 70 -0.387 -17.527 -1.267 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.560 -16.616 -3.812 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.205 -17.968 -3.994 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.365 -18.292 -3.281 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.643 -18.898 -4.874 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.965 -19.546 -3.451 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.240 -20.151 -5.045 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.401 -20.476 -4.333 1.00 0.00 C ATOM 0 H PHE A 70 -0.133 -14.927 -2.026 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.957 -15.866 -2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.915 -15.927 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.480 -16.698 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.798 -17.575 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.747 -18.648 -5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.861 -19.795 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.806 -20.868 -5.726 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.862 -21.444 -4.464 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.472 -17.551 -0.595 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.178 -18.586 0.437 1.00 0.00 C ATOM 1130 C LYS A 71 -2.383 -19.959 -0.197 1.00 0.00 C ATOM 1131 O LYS A 71 -3.340 -20.654 0.084 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.133 -18.414 1.624 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.367 -17.841 2.820 1.00 0.00 C ATOM 1134 CD LYS A 71 -1.330 -18.859 3.299 1.00 0.00 C ATOM 1135 CE LYS A 71 -0.222 -18.136 4.066 1.00 0.00 C ATOM 1136 NZ LYS A 71 0.677 -19.140 4.705 1.00 0.00 N ATOM 0 H LYS A 71 -3.443 -17.240 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.153 -18.486 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.952 -17.749 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.576 -19.374 1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.875 -16.910 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.059 -17.603 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.804 -19.603 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.909 -19.393 2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.348 -17.500 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.656 -17.485 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.431 -18.649 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.128 -19.729 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.100 -19.743 3.971 1.00 0.00 H new ATOM 1150 N SER A 72 -1.498 -20.341 -1.074 1.00 0.00 N ATOM 1151 CA SER A 72 -1.632 -21.653 -1.763 1.00 0.00 C ATOM 1152 C SER A 72 -2.054 -22.746 -0.777 1.00 0.00 C ATOM 1153 O SER A 72 -1.299 -23.160 0.079 1.00 0.00 O ATOM 1154 CB SER A 72 -0.293 -22.031 -2.398 1.00 0.00 C ATOM 1155 OG SER A 72 -0.354 -21.799 -3.800 1.00 0.00 O ATOM 0 H SER A 72 -0.680 -19.795 -1.345 1.00 0.00 H new ATOM 0 HA SER A 72 -2.399 -21.565 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.511 -21.443 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.067 -23.079 -2.201 1.00 0.00 H new ATOM 0 HG SER A 72 -0.817 -20.952 -3.972 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.256 -23.229 -0.922 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.760 -24.316 -0.038 1.00 0.00 C ATOM 1163 C LEU A 73 -4.828 -25.093 -0.813 1.00 0.00 C ATOM 1164 O LEU A 73 -5.980 -25.117 -0.433 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.359 -23.715 1.236 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.160 -24.783 1.981 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.725 -24.825 3.446 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.646 -24.441 1.901 1.00 0.00 C ATOM 0 H LEU A 73 -3.921 -22.911 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.947 -24.982 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.565 -23.329 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.003 -22.873 0.984 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.981 -25.757 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.298 -25.587 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.663 -25.064 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.903 -23.853 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.223 -25.199 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.820 -23.467 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.957 -24.412 0.857 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.411 -25.683 -1.907 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.310 -26.446 -2.789 1.00 0.00 C ATOM 1182 C PRO A 74 -5.537 -27.862 -2.245 1.00 0.00 C ATOM 1183 O PRO A 74 -5.437 -28.835 -2.967 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.545 -26.491 -4.116 1.00 0.00 C ATOM 1185 CG PRO A 74 -3.053 -26.292 -3.764 1.00 0.00 C ATOM 1186 CD PRO A 74 -3.009 -25.638 -2.371 1.00 0.00 C ATOM 0 HA PRO A 74 -6.300 -25.999 -2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.701 -27.443 -4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.893 -25.710 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.526 -27.246 -3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.562 -25.660 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.348 -26.182 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.639 -24.614 -2.423 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.847 -27.987 -0.984 1.00 0.00 N ATOM 1195 CA GLY A 75 -6.085 -29.341 -0.404 1.00 0.00 C ATOM 1196 C GLY A 75 -4.761 -29.948 0.064 1.00 0.00 C ATOM 1197 O GLY A 75 -4.735 -30.828 0.902 1.00 0.00 O ATOM 0 H GLY A 75 -5.946 -27.211 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.779 -29.270 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.549 -29.988 -1.148 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.661 -29.489 -0.468 1.00 0.00 N ATOM 1202 CA GLN A 76 -2.345 -30.047 -0.050 1.00 0.00 C ATOM 1203 C GLN A 76 -1.701 -29.118 0.982 1.00 0.00 C ATOM 1204 O GLN A 76 -0.959 -29.550 1.842 1.00 0.00 O ATOM 1205 CB GLN A 76 -1.430 -30.170 -1.269 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.260 -31.098 -0.936 1.00 0.00 C ATOM 1207 CD GLN A 76 -0.792 -32.494 -0.613 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -0.883 -32.870 0.539 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -1.149 -33.284 -1.587 1.00 0.00 N ATOM 0 H GLN A 76 -3.617 -28.753 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.493 -31.033 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.989 -30.562 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.058 -29.187 -1.559 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.431 -31.146 -1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.299 -30.705 -0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.073 -32.968 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.505 -34.218 -1.382 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.978 -27.845 0.906 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.381 -26.895 1.884 1.00 0.00 C ATOM 1220 C ASN A 77 0.143 -27.047 1.873 1.00 0.00 C ATOM 1221 O ASN A 77 0.710 -27.755 2.681 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.916 -27.206 3.284 1.00 0.00 C ATOM 1223 CG ASN A 77 -1.090 -26.453 4.329 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -0.329 -27.050 5.063 1.00 0.00 O ATOM 1225 ND2 ASN A 77 -1.208 -25.157 4.427 1.00 0.00 N ATOM 0 H ASN A 77 -2.592 -27.423 0.209 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.646 -25.873 1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.964 -26.916 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.869 -28.279 3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.661 -24.646 5.120 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.847 -24.655 3.811 1.00 0.00 H new ATOM 1232 N GLU A 78 0.810 -26.394 0.961 1.00 0.00 N ATOM 1233 CA GLU A 78 2.294 -26.509 0.901 1.00 0.00 C ATOM 1234 C GLU A 78 2.908 -25.140 0.598 1.00 0.00 C ATOM 1235 O GLU A 78 3.264 -24.842 -0.525 1.00 0.00 O ATOM 1236 CB GLU A 78 2.683 -27.497 -0.202 1.00 0.00 C ATOM 1237 CG GLU A 78 3.375 -28.711 0.422 1.00 0.00 C ATOM 1238 CD GLU A 78 3.637 -29.761 -0.660 1.00 0.00 C ATOM 1239 OE1 GLU A 78 3.610 -29.402 -1.824 1.00 0.00 O ATOM 1240 OE2 GLU A 78 3.859 -30.905 -0.302 1.00 0.00 O ATOM 0 H GLU A 78 0.392 -25.787 0.256 1.00 0.00 H new ATOM 0 HA GLU A 78 2.667 -26.866 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.796 -27.813 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.347 -27.015 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.314 -28.409 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.751 -29.133 1.210 1.00 0.00 H new ATOM 1247 N ASP A 79 3.042 -24.305 1.595 1.00 0.00 N ATOM 1248 CA ASP A 79 3.639 -22.957 1.364 1.00 0.00 C ATOM 1249 C ASP A 79 2.665 -22.088 0.567 1.00 0.00 C ATOM 1250 O ASP A 79 1.901 -22.576 -0.243 1.00 0.00 O ATOM 1251 CB ASP A 79 4.946 -23.103 0.580 1.00 0.00 C ATOM 1252 CG ASP A 79 5.823 -21.870 0.813 1.00 0.00 C ATOM 1253 OD1 ASP A 79 5.468 -20.813 0.320 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.835 -22.006 1.482 1.00 0.00 O ATOM 0 H ASP A 79 2.764 -24.498 2.557 1.00 0.00 H new ATOM 0 HA ASP A 79 3.840 -22.486 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.474 -24.003 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.734 -23.216 -0.483 1.00 0.00 H new ATOM 1259 N LEU A 80 2.690 -20.803 0.790 1.00 0.00 N ATOM 1260 CA LEU A 80 1.774 -19.895 0.047 1.00 0.00 C ATOM 1261 C LEU A 80 2.350 -19.595 -1.328 1.00 0.00 C ATOM 1262 O LEU A 80 2.948 -20.441 -1.962 1.00 0.00 O ATOM 1263 CB LEU A 80 1.581 -18.603 0.836 1.00 0.00 C ATOM 1264 CG LEU A 80 2.877 -17.807 0.850 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.553 -16.316 0.794 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.631 -18.129 2.136 1.00 0.00 C ATOM 0 H LEU A 80 3.308 -20.342 1.458 1.00 0.00 H new ATOM 0 HA LEU A 80 0.806 -20.379 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.784 -18.009 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.274 -18.832 1.856 1.00 0.00 H new ATOM 0 HG LEU A 80 3.492 -18.068 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.479 -15.742 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.001 -16.098 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.947 -16.043 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.564 -17.566 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.018 -17.856 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.851 -19.196 2.172 1.00 0.00 H new ATOM 1278 N VAL A 81 2.145 -18.409 -1.803 1.00 0.00 N ATOM 1279 CA VAL A 81 2.641 -18.057 -3.153 1.00 0.00 C ATOM 1280 C VAL A 81 2.251 -16.607 -3.453 1.00 0.00 C ATOM 1281 O VAL A 81 1.273 -16.101 -2.943 1.00 0.00 O ATOM 1282 CB VAL A 81 1.987 -19.030 -4.145 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.553 -18.312 -5.430 1.00 0.00 C ATOM 1284 CG2 VAL A 81 2.989 -20.130 -4.506 1.00 0.00 C ATOM 0 H VAL A 81 1.652 -17.662 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 81 3.725 -18.138 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 81 1.102 -19.455 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.094 -19.029 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.832 -17.532 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.424 -17.864 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.530 -20.824 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.872 -19.682 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.279 -20.668 -3.604 1.00 0.00 H new ATOM 1294 N LEU A 82 3.000 -15.939 -4.284 1.00 0.00 N ATOM 1295 CA LEU A 82 2.654 -14.543 -4.613 1.00 0.00 C ATOM 1296 C LEU A 82 2.905 -14.297 -6.082 1.00 0.00 C ATOM 1297 O LEU A 82 3.876 -13.679 -6.469 1.00 0.00 O ATOM 1298 CB LEU A 82 3.494 -13.572 -3.797 1.00 0.00 C ATOM 1299 CG LEU A 82 2.637 -13.047 -2.663 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.594 -14.077 -1.531 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.217 -11.733 -2.140 1.00 0.00 C ATOM 0 H LEU A 82 3.833 -16.304 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 82 1.602 -14.383 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.380 -14.071 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.842 -12.750 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 82 1.626 -12.871 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.977 -13.697 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.169 -15.009 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.605 -14.259 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.597 -11.360 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.231 -11.902 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.238 -10.998 -2.945 1.00 0.00 H new ATOM 1313 N THR A 83 2.021 -14.754 -6.909 1.00 0.00 N ATOM 1314 CA THR A 83 2.191 -14.522 -8.359 1.00 0.00 C ATOM 1315 C THR A 83 2.215 -13.013 -8.626 1.00 0.00 C ATOM 1316 O THR A 83 2.454 -12.585 -9.737 1.00 0.00 O ATOM 1317 CB THR A 83 1.035 -15.161 -9.119 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.548 -16.279 -8.388 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.517 -15.616 -10.497 1.00 0.00 C ATOM 0 H THR A 83 1.187 -15.279 -6.644 1.00 0.00 H new ATOM 0 HA THR A 83 3.127 -14.968 -8.695 1.00 0.00 H new ATOM 0 HB THR A 83 0.233 -14.433 -9.241 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.197 -16.689 -8.875 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.689 -16.073 -11.039 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.886 -14.756 -11.056 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.320 -16.344 -10.380 1.00 0.00 H new ATOM 1327 N GLY A 84 1.971 -12.192 -7.625 1.00 0.00 N ATOM 1328 CA GLY A 84 1.994 -10.724 -7.878 1.00 0.00 C ATOM 1329 C GLY A 84 3.116 -10.085 -7.072 1.00 0.00 C ATOM 1330 O GLY A 84 3.450 -10.535 -5.996 1.00 0.00 O ATOM 0 H GLY A 84 1.762 -12.474 -6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.140 -10.530 -8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.037 -10.282 -7.602 1.00 0.00 H new ATOM 1334 N TYR A 85 3.688 -9.032 -7.583 1.00 0.00 N ATOM 1335 CA TYR A 85 4.784 -8.340 -6.855 1.00 0.00 C ATOM 1336 C TYR A 85 5.485 -7.375 -7.813 1.00 0.00 C ATOM 1337 O TYR A 85 5.945 -7.768 -8.867 1.00 0.00 O ATOM 1338 CB TYR A 85 5.802 -9.361 -6.339 1.00 0.00 C ATOM 1339 CG TYR A 85 6.228 -10.268 -7.470 1.00 0.00 C ATOM 1340 CD1 TYR A 85 7.278 -9.888 -8.312 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.573 -11.490 -7.675 1.00 0.00 C ATOM 1342 CE1 TYR A 85 7.675 -10.726 -9.359 1.00 0.00 C ATOM 1343 CE2 TYR A 85 5.972 -12.330 -8.723 1.00 0.00 C ATOM 1344 CZ TYR A 85 7.023 -11.948 -9.565 1.00 0.00 C ATOM 1345 OH TYR A 85 7.418 -12.775 -10.596 1.00 0.00 O ATOM 0 H TYR A 85 3.440 -8.618 -8.482 1.00 0.00 H new ATOM 0 HA TYR A 85 4.365 -7.795 -6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.670 -8.847 -5.925 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.365 -9.950 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.783 -8.946 -8.154 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.761 -11.784 -7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.485 -10.430 -10.009 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.469 -13.272 -8.881 1.00 0.00 H new ATOM 0 HH TYR A 85 6.863 -13.583 -10.598 1.00 0.00 H new ATOM 1355 N GLN A 86 5.576 -6.118 -7.471 1.00 0.00 N ATOM 1356 CA GLN A 86 6.262 -5.165 -8.400 1.00 0.00 C ATOM 1357 C GLN A 86 6.418 -3.787 -7.749 1.00 0.00 C ATOM 1358 O GLN A 86 5.685 -3.425 -6.849 1.00 0.00 O ATOM 1359 CB GLN A 86 5.442 -5.028 -9.685 1.00 0.00 C ATOM 1360 CG GLN A 86 6.276 -5.506 -10.875 1.00 0.00 C ATOM 1361 CD GLN A 86 7.142 -4.353 -11.390 1.00 0.00 C ATOM 1362 OE1 GLN A 86 8.434 -4.391 -11.208 1.00 0.00 O flip ATOM 1363 NE2 GLN A 86 6.637 -3.408 -11.962 1.00 0.00 N flip ATOM 0 H GLN A 86 5.214 -5.713 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 86 7.253 -5.557 -8.629 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.527 -5.615 -9.609 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.144 -3.990 -9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.907 -6.343 -10.577 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.622 -5.866 -11.669 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.627 -3.378 -12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.223 -2.644 -12.300 1.00 0.00 H new ATOM 1372 N VAL A 87 7.369 -3.013 -8.214 1.00 0.00 N ATOM 1373 CA VAL A 87 7.585 -1.655 -7.645 1.00 0.00 C ATOM 1374 C VAL A 87 6.780 -0.635 -8.459 1.00 0.00 C ATOM 1375 O VAL A 87 5.712 -0.940 -8.941 1.00 0.00 O ATOM 1376 CB VAL A 87 9.078 -1.313 -7.686 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.478 -0.862 -9.093 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.366 -0.191 -6.688 1.00 0.00 C ATOM 0 H VAL A 87 8.006 -3.270 -8.968 1.00 0.00 H new ATOM 0 HA VAL A 87 7.249 -1.628 -6.608 1.00 0.00 H new ATOM 0 HB VAL A 87 9.655 -2.199 -7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.541 -0.622 -9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.276 -1.664 -9.803 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.902 0.021 -9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.427 0.055 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.782 0.690 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.094 -0.518 -5.684 1.00 0.00 H new ATOM 1388 N ASP A 88 7.262 0.574 -8.614 1.00 0.00 N ATOM 1389 CA ASP A 88 6.484 1.574 -9.383 1.00 0.00 C ATOM 1390 C ASP A 88 7.322 2.153 -10.531 1.00 0.00 C ATOM 1391 O ASP A 88 8.133 1.470 -11.124 1.00 0.00 O ATOM 1392 CB ASP A 88 6.043 2.698 -8.443 1.00 0.00 C ATOM 1393 CG ASP A 88 7.240 3.595 -8.124 1.00 0.00 C ATOM 1394 OD1 ASP A 88 8.355 3.187 -8.410 1.00 0.00 O ATOM 1395 OD2 ASP A 88 7.024 4.675 -7.598 1.00 0.00 O ATOM 0 H ASP A 88 8.153 0.903 -8.242 1.00 0.00 H new ATOM 0 HA ASP A 88 5.610 1.086 -9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.249 3.284 -8.907 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.634 2.278 -7.524 1.00 0.00 H new ATOM 1400 N LYS A 89 7.107 3.412 -10.849 1.00 0.00 N ATOM 1401 CA LYS A 89 7.857 4.080 -11.958 1.00 0.00 C ATOM 1402 C LYS A 89 7.094 3.899 -13.274 1.00 0.00 C ATOM 1403 O LYS A 89 7.618 3.390 -14.242 1.00 0.00 O ATOM 1404 CB LYS A 89 9.265 3.489 -12.088 1.00 0.00 C ATOM 1405 CG LYS A 89 10.215 4.547 -12.653 1.00 0.00 C ATOM 1406 CD LYS A 89 10.192 5.785 -11.754 1.00 0.00 C ATOM 1407 CE LYS A 89 11.427 6.646 -12.032 1.00 0.00 C ATOM 1408 NZ LYS A 89 11.432 7.816 -11.109 1.00 0.00 N ATOM 0 H LYS A 89 6.431 4.012 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 89 7.947 5.142 -11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.619 3.150 -11.115 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.245 2.617 -12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.227 4.147 -12.714 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.917 4.815 -13.667 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.286 6.362 -11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.174 5.485 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.333 6.056 -11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.422 6.986 -13.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.270 8.402 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.573 8.382 -11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.456 7.481 -10.125 1.00 0.00 H new ATOM 1422 N ASN A 90 5.860 4.324 -13.308 1.00 0.00 N ATOM 1423 CA ASN A 90 5.038 4.195 -14.548 1.00 0.00 C ATOM 1424 C ASN A 90 5.320 2.861 -15.241 1.00 0.00 C ATOM 1425 O ASN A 90 5.251 2.749 -16.450 1.00 0.00 O ATOM 1426 CB ASN A 90 5.347 5.355 -15.502 1.00 0.00 C ATOM 1427 CG ASN A 90 6.677 5.099 -16.209 1.00 0.00 C ATOM 1428 OD1 ASN A 90 7.790 5.364 -15.588 1.00 0.00 O flip ATOM 1429 ND2 ASN A 90 6.701 4.654 -17.340 1.00 0.00 N flip ATOM 0 H ASN A 90 5.380 4.760 -12.521 1.00 0.00 H new ATOM 0 HA ASN A 90 3.984 4.228 -14.272 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.548 5.458 -16.236 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.393 6.292 -14.948 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.828 4.447 -17.825 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.594 4.488 -17.804 1.00 0.00 H new ATOM 1436 N LYS A 91 5.617 1.846 -14.486 1.00 0.00 N ATOM 1437 CA LYS A 91 5.878 0.513 -15.103 1.00 0.00 C ATOM 1438 C LYS A 91 4.656 -0.372 -14.907 1.00 0.00 C ATOM 1439 O LYS A 91 4.042 -0.822 -15.854 1.00 0.00 O ATOM 1440 CB LYS A 91 7.087 -0.154 -14.449 1.00 0.00 C ATOM 1441 CG LYS A 91 8.099 0.904 -14.022 1.00 0.00 C ATOM 1442 CD LYS A 91 9.338 0.217 -13.451 1.00 0.00 C ATOM 1443 CE LYS A 91 10.555 0.553 -14.316 1.00 0.00 C ATOM 1444 NZ LYS A 91 10.593 -0.354 -15.499 1.00 0.00 N ATOM 0 H LYS A 91 5.691 1.877 -13.469 1.00 0.00 H new ATOM 0 HA LYS A 91 6.082 0.649 -16.165 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.768 -0.735 -13.583 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.550 -0.851 -15.147 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.374 1.525 -14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.659 1.564 -13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.507 0.544 -12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.187 -0.862 -13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.506 1.592 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.469 0.445 -13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.420 -0.125 -16.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.659 -1.341 -15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.726 -0.230 -16.060 1.00 0.00 H new ATOM 1458 N ASP A 92 4.288 -0.612 -13.682 1.00 0.00 N ATOM 1459 CA ASP A 92 3.092 -1.454 -13.424 1.00 0.00 C ATOM 1460 C ASP A 92 1.836 -0.591 -13.566 1.00 0.00 C ATOM 1461 O ASP A 92 0.751 -0.992 -13.192 1.00 0.00 O ATOM 1462 CB ASP A 92 3.163 -2.026 -12.008 1.00 0.00 C ATOM 1463 CG ASP A 92 3.030 -3.549 -12.065 1.00 0.00 C ATOM 1464 OD1 ASP A 92 4.037 -4.204 -12.277 1.00 0.00 O ATOM 1465 OD2 ASP A 92 1.923 -4.034 -11.899 1.00 0.00 O ATOM 0 H ASP A 92 4.763 -0.262 -12.850 1.00 0.00 H new ATOM 0 HA ASP A 92 3.058 -2.275 -14.140 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.108 -1.750 -11.540 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.368 -1.604 -11.394 1.00 0.00 H new ATOM 1470 N ASP A 93 1.971 0.593 -14.108 1.00 0.00 N ATOM 1471 CA ASP A 93 0.780 1.473 -14.271 1.00 0.00 C ATOM 1472 C ASP A 93 -0.242 0.781 -15.175 1.00 0.00 C ATOM 1473 O ASP A 93 0.108 -0.008 -16.030 1.00 0.00 O ATOM 1474 CB ASP A 93 1.207 2.799 -14.905 1.00 0.00 C ATOM 1475 CG ASP A 93 0.147 3.865 -14.618 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.998 3.643 -14.976 1.00 0.00 O ATOM 1477 OD2 ASP A 93 0.498 4.883 -14.046 1.00 0.00 O ATOM 0 H ASP A 93 2.851 0.985 -14.443 1.00 0.00 H new ATOM 0 HA ASP A 93 0.333 1.665 -13.296 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.171 3.112 -14.505 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.333 2.676 -15.981 1.00 0.00 H new ATOM 1482 N GLU A 94 -1.501 1.068 -14.991 1.00 0.00 N ATOM 1483 CA GLU A 94 -2.541 0.422 -15.841 1.00 0.00 C ATOM 1484 C GLU A 94 -3.927 0.927 -15.431 1.00 0.00 C ATOM 1485 O GLU A 94 -4.590 0.343 -14.596 1.00 0.00 O ATOM 1486 CB GLU A 94 -2.475 -1.097 -15.652 1.00 0.00 C ATOM 1487 CG GLU A 94 -2.082 -1.760 -16.973 1.00 0.00 C ATOM 1488 CD GLU A 94 -1.526 -3.158 -16.695 1.00 0.00 C ATOM 1489 OE1 GLU A 94 -1.399 -3.502 -15.530 1.00 0.00 O ATOM 1490 OE2 GLU A 94 -1.236 -3.860 -17.650 1.00 0.00 O ATOM 0 H GLU A 94 -1.854 1.720 -14.291 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.362 0.670 -16.887 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.749 -1.346 -14.878 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.441 -1.475 -15.317 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.948 -1.826 -17.631 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.335 -1.156 -17.488 1.00 0.00 H new ATOM 1497 N LEU A 95 -4.372 2.008 -16.014 1.00 0.00 N ATOM 1498 CA LEU A 95 -5.715 2.550 -15.661 1.00 0.00 C ATOM 1499 C LEU A 95 -6.792 1.538 -16.059 1.00 0.00 C ATOM 1500 O LEU A 95 -7.155 1.426 -17.213 1.00 0.00 O ATOM 1501 CB LEU A 95 -5.948 3.861 -16.415 1.00 0.00 C ATOM 1502 CG LEU A 95 -6.066 5.014 -15.417 1.00 0.00 C ATOM 1503 CD1 LEU A 95 -4.782 5.112 -14.592 1.00 0.00 C ATOM 1504 CD2 LEU A 95 -6.281 6.321 -16.181 1.00 0.00 C ATOM 0 H LEU A 95 -3.862 2.539 -16.720 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.764 2.732 -14.587 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.125 4.047 -17.105 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.856 3.791 -17.014 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.910 4.835 -14.751 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.868 5.934 -13.881 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.625 4.179 -14.050 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.936 5.293 -15.255 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.366 7.146 -15.474 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.435 6.498 -16.845 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.196 6.252 -16.770 1.00 0.00 H new ATOM 1516 N THR A 96 -7.306 0.802 -15.114 1.00 0.00 N ATOM 1517 CA THR A 96 -8.359 -0.203 -15.441 1.00 0.00 C ATOM 1518 C THR A 96 -9.390 -0.250 -14.311 1.00 0.00 C ATOM 1519 O THR A 96 -9.127 0.159 -13.198 1.00 0.00 O ATOM 1520 CB THR A 96 -7.717 -1.584 -15.597 1.00 0.00 C ATOM 1521 OG1 THR A 96 -6.694 -1.740 -14.623 1.00 0.00 O ATOM 1522 CG2 THR A 96 -7.115 -1.715 -16.996 1.00 0.00 C ATOM 0 H THR A 96 -7.044 0.852 -14.130 1.00 0.00 H new ATOM 0 HA THR A 96 -8.850 0.079 -16.372 1.00 0.00 H new ATOM 0 HB THR A 96 -8.475 -2.355 -15.457 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.282 -2.624 -14.720 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.658 -2.699 -17.105 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.900 -1.594 -17.743 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.357 -0.945 -17.139 1.00 0.00 H new ATOM 1530 N GLY A 97 -10.561 -0.752 -14.591 1.00 0.00 N ATOM 1531 CA GLY A 97 -11.610 -0.829 -13.533 1.00 0.00 C ATOM 1532 C GLY A 97 -11.887 0.568 -12.978 1.00 0.00 C ATOM 1533 O GLY A 97 -11.466 1.563 -13.534 1.00 0.00 O ATOM 0 H GLY A 97 -10.837 -1.112 -15.505 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.525 -1.255 -13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.283 -1.491 -12.731 1.00 0.00 H new ATOM 1537 N PHE A 98 -12.595 0.654 -11.884 1.00 0.00 N ATOM 1538 CA PHE A 98 -12.899 1.988 -11.297 1.00 0.00 C ATOM 1539 C PHE A 98 -12.819 1.908 -9.771 1.00 0.00 C ATOM 1540 O PHE A 98 -11.716 1.933 -9.253 1.00 0.00 O ATOM 1541 CB PHE A 98 -14.307 2.419 -11.714 1.00 0.00 C ATOM 1542 CG PHE A 98 -14.211 3.396 -12.860 1.00 0.00 C ATOM 1543 CD1 PHE A 98 -13.977 2.930 -14.160 1.00 0.00 C ATOM 1544 CD2 PHE A 98 -14.354 4.769 -12.623 1.00 0.00 C ATOM 1545 CE1 PHE A 98 -13.887 3.838 -15.222 1.00 0.00 C ATOM 1546 CE2 PHE A 98 -14.263 5.676 -13.686 1.00 0.00 C ATOM 1547 CZ PHE A 98 -14.030 5.210 -14.986 1.00 0.00 C ATOM 1548 OXT PHE A 98 -13.865 1.825 -9.148 1.00 0.00 O ATOM 0 H PHE A 98 -12.975 -0.142 -11.373 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.174 2.717 -11.658 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -14.893 1.549 -12.011 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -14.823 2.879 -10.871 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.866 1.871 -14.343 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -14.534 5.128 -11.621 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -13.707 3.479 -16.225 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -14.372 6.735 -13.503 1.00 0.00 H new ATOM 0 HZ PHE A 98 -13.961 5.909 -15.806 1.00 0.00 H new TER 1558 PHE A 98