USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 735 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 119 ASN : amide:sc= -0.0728 X(o=-0.47,f=-0.57) USER MOD Set 1.2: A 121 GLN : amide:sc= -0.401 X(o=-0.47,f=-0.1) USER MOD Set 2.1: A 64 SER OG : rot -92:sc= -0.446 USER MOD Set 2.2: A 65 ASN : amide:sc= -0.464 X(o=-0.91,f=-1.2) USER MOD Set 3.1: A 54 HIS : no HE2:sc= 0.804 K(o=1.1,f=-2.7!) USER MOD Set 3.2: A 59 THR OG1 : rot 62:sc= 0.293 USER MOD Set 4.1: A 36 MET CE :methyl -141:sc= -0.101 (180deg=-0.474) USER MOD Set 4.2: A 91 GLN : amide:sc= -3.26! C(o=-3.4!,f=-13!) USER MOD Single : A 26 ASN : amide:sc= -2.24! C(o=-2.2!,f=-6.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 1.1 (180deg=0.554) USER MOD Single : A 34 THR OG1 : rot 86:sc= 0.982 USER MOD Single : A 38 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.79) USER MOD Single : A 39 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000742 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0916 USER MOD Single : A 72 THR OG1 : rot 35:sc= 0.0628 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.59! USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 170:sc= 0 USER MOD Single : A 79 MET CE :methyl -158:sc= -0.185 (180deg=-0.744) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 167:sc= -0.0128 (180deg=-0.173) USER MOD Single : A 87 SER OG : rot 25:sc= 0.812 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -110:sc= 0.0106 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 142:sc= -0.443 (180deg=-2.06!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0394 USER MOD Single : A 117 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 122 SER OG : rot 88:sc= 1.25 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 1.14 K(o=1.1,f=-0.74) USER MOD Single : A 128 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 26 -17.356 -9.469 -3.588 1.00 0.00 N ATOM 36 CA ASN A 26 -16.496 -8.341 -3.275 1.00 0.00 C ATOM 37 C ASN A 26 -15.881 -7.776 -4.545 1.00 0.00 C ATOM 38 O ASN A 26 -14.880 -7.068 -4.499 1.00 0.00 O ATOM 39 CB ASN A 26 -15.386 -8.754 -2.299 1.00 0.00 C ATOM 40 CG ASN A 26 -14.569 -9.949 -2.776 1.00 0.00 C ATOM 41 OD1 ASN A 26 -14.458 -10.218 -3.971 1.00 0.00 O ATOM 42 ND2 ASN A 26 -13.984 -10.675 -1.837 1.00 0.00 N ATOM 0 HA ASN A 26 -17.107 -7.572 -2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.718 -7.907 -2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.832 -8.992 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -13.421 -11.485 -2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -14.096 -10.424 -0.855 1.00 0.00 H new ATOM 49 N TYR A 27 -16.500 -8.086 -5.674 1.00 0.00 N ATOM 50 CA TYR A 27 -15.938 -7.752 -6.977 1.00 0.00 C ATOM 51 C TYR A 27 -16.076 -6.261 -7.249 1.00 0.00 C ATOM 52 O TYR A 27 -15.157 -5.626 -7.765 1.00 0.00 O ATOM 53 CB TYR A 27 -16.624 -8.569 -8.077 1.00 0.00 C ATOM 54 CG TYR A 27 -16.887 -10.009 -7.677 1.00 0.00 C ATOM 55 CD1 TYR A 27 -18.185 -10.462 -7.469 1.00 0.00 C ATOM 56 CD2 TYR A 27 -15.841 -10.907 -7.483 1.00 0.00 C ATOM 57 CE1 TYR A 27 -18.434 -11.763 -7.080 1.00 0.00 C ATOM 58 CE2 TYR A 27 -16.086 -12.213 -7.099 1.00 0.00 C ATOM 59 CZ TYR A 27 -17.383 -12.633 -6.897 1.00 0.00 C ATOM 60 OH TYR A 27 -17.632 -13.927 -6.502 1.00 0.00 O ATOM 0 H TYR A 27 -17.396 -8.571 -5.715 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.877 -8.002 -6.974 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -17.569 -8.093 -8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -16.002 -8.555 -8.972 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -19.013 -9.784 -7.614 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -14.823 -10.579 -7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -19.449 -12.097 -6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.265 -12.900 -6.958 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.785 -14.412 -6.419 1.00 0.00 H new ATOM 70 N LEU A 28 -17.224 -5.704 -6.884 1.00 0.00 N ATOM 71 CA LEU A 28 -17.442 -4.270 -7.009 1.00 0.00 C ATOM 72 C LEU A 28 -16.572 -3.527 -6.003 1.00 0.00 C ATOM 73 O LEU A 28 -16.080 -2.430 -6.272 1.00 0.00 O ATOM 74 CB LEU A 28 -18.919 -3.924 -6.793 1.00 0.00 C ATOM 75 CG LEU A 28 -19.897 -4.563 -7.787 1.00 0.00 C ATOM 76 CD1 LEU A 28 -21.327 -4.182 -7.444 1.00 0.00 C ATOM 77 CD2 LEU A 28 -19.570 -4.143 -9.213 1.00 0.00 C ATOM 0 H LEU A 28 -18.015 -6.222 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.166 -3.961 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.202 -4.227 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.032 -2.841 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 28 -19.795 -5.646 -7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.008 -4.644 -8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -21.565 -4.530 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.435 -3.098 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -20.276 -4.608 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -19.641 -3.059 -9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -18.558 -4.461 -9.463 1.00 0.00 H new ATOM 89 N ARG A 29 -16.379 -4.142 -4.844 1.00 0.00 N ATOM 90 CA ARG A 29 -15.508 -3.589 -3.823 1.00 0.00 C ATOM 91 C ARG A 29 -14.056 -3.611 -4.286 1.00 0.00 C ATOM 92 O ARG A 29 -13.280 -2.716 -3.953 1.00 0.00 O ATOM 93 CB ARG A 29 -15.678 -4.354 -2.506 1.00 0.00 C ATOM 94 CG ARG A 29 -14.659 -3.978 -1.443 1.00 0.00 C ATOM 95 CD ARG A 29 -15.161 -4.290 -0.043 1.00 0.00 C ATOM 96 NE ARG A 29 -15.492 -5.703 0.142 1.00 0.00 N ATOM 97 CZ ARG A 29 -16.530 -6.137 0.865 1.00 0.00 C ATOM 98 NH1 ARG A 29 -17.386 -5.272 1.402 1.00 0.00 N ATOM 99 NH2 ARG A 29 -16.724 -7.436 1.036 1.00 0.00 N ATOM 0 H ARG A 29 -16.817 -5.027 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.789 -2.550 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.680 -4.171 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.604 -5.423 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.729 -4.517 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.431 -2.915 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.400 -4.002 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.044 -3.685 0.164 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.896 -6.398 -0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.253 -4.270 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.175 -5.610 1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.081 -8.107 0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.516 -7.765 1.588 1.00 0.00 H new ATOM 113 N LYS A 30 -13.697 -4.629 -5.066 1.00 0.00 N ATOM 114 CA LYS A 30 -12.359 -4.713 -5.639 1.00 0.00 C ATOM 115 C LYS A 30 -12.057 -3.464 -6.453 1.00 0.00 C ATOM 116 O LYS A 30 -11.027 -2.826 -6.256 1.00 0.00 O ATOM 117 CB LYS A 30 -12.207 -5.951 -6.532 1.00 0.00 C ATOM 118 CG LYS A 30 -12.117 -7.273 -5.781 1.00 0.00 C ATOM 119 CD LYS A 30 -12.035 -8.442 -6.754 1.00 0.00 C ATOM 120 CE LYS A 30 -12.109 -9.789 -6.048 1.00 0.00 C ATOM 121 NZ LYS A 30 -10.867 -10.101 -5.294 1.00 0.00 N ATOM 0 H LYS A 30 -14.313 -5.403 -5.314 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.652 -4.795 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.055 -5.995 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.311 -5.834 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.240 -7.270 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.988 -7.391 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.848 -8.368 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.103 -8.380 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.957 -9.791 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.291 -10.572 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.019 -10.948 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.090 -10.276 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.622 -9.297 -4.681 1.00 0.00 H new ATOM 135 N ALA A 31 -12.968 -3.098 -7.354 1.00 0.00 N ATOM 136 CA ALA A 31 -12.786 -1.916 -8.186 1.00 0.00 C ATOM 137 C ALA A 31 -12.755 -0.643 -7.353 1.00 0.00 C ATOM 138 O ALA A 31 -12.013 0.286 -7.666 1.00 0.00 O ATOM 139 CB ALA A 31 -13.887 -1.828 -9.225 1.00 0.00 C ATOM 0 H ALA A 31 -13.837 -3.604 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.823 -2.013 -8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.738 -0.940 -9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.862 -2.715 -9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.854 -1.766 -8.726 1.00 0.00 H new ATOM 145 N ALA A 32 -13.555 -0.607 -6.294 1.00 0.00 N ATOM 146 CA ALA A 32 -13.573 0.541 -5.396 1.00 0.00 C ATOM 147 C ALA A 32 -12.212 0.715 -4.742 1.00 0.00 C ATOM 148 O ALA A 32 -11.660 1.814 -4.694 1.00 0.00 O ATOM 149 CB ALA A 32 -14.656 0.376 -4.341 1.00 0.00 C ATOM 0 H ALA A 32 -14.197 -1.356 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.797 1.435 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.655 1.242 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.628 0.292 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.463 -0.525 -3.759 1.00 0.00 H new ATOM 155 N LEU A 33 -11.659 -0.390 -4.270 1.00 0.00 N ATOM 156 CA LEU A 33 -10.342 -0.384 -3.656 1.00 0.00 C ATOM 157 C LEU A 33 -9.279 -0.079 -4.704 1.00 0.00 C ATOM 158 O LEU A 33 -8.267 0.558 -4.417 1.00 0.00 O ATOM 159 CB LEU A 33 -10.072 -1.733 -2.990 1.00 0.00 C ATOM 160 CG LEU A 33 -11.089 -2.135 -1.916 1.00 0.00 C ATOM 161 CD1 LEU A 33 -10.805 -3.536 -1.407 1.00 0.00 C ATOM 162 CD2 LEU A 33 -11.084 -1.137 -0.767 1.00 0.00 C ATOM 0 H LEU A 33 -12.105 -1.307 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.306 0.393 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.053 -2.505 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.080 -1.708 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.081 -2.129 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.538 -3.802 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.868 -4.243 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.805 -3.570 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.813 -1.442 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.092 -1.105 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.343 -0.147 -1.143 1.00 0.00 H new ATOM 174 N THR A 34 -9.531 -0.525 -5.929 1.00 0.00 N ATOM 175 CA THR A 34 -8.657 -0.220 -7.048 1.00 0.00 C ATOM 176 C THR A 34 -8.670 1.279 -7.320 1.00 0.00 C ATOM 177 O THR A 34 -7.645 1.876 -7.643 1.00 0.00 O ATOM 178 CB THR A 34 -9.088 -0.974 -8.323 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.162 -2.381 -8.066 1.00 0.00 O ATOM 180 CG2 THR A 34 -8.114 -0.721 -9.462 1.00 0.00 C ATOM 0 H THR A 34 -10.338 -1.101 -6.170 1.00 0.00 H new ATOM 0 HA THR A 34 -7.650 -0.543 -6.783 1.00 0.00 H new ATOM 0 HB THR A 34 -10.071 -0.604 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.045 -2.601 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.442 -1.264 -10.348 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.081 0.346 -9.682 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.120 -1.063 -9.174 1.00 0.00 H new ATOM 188 N ASP A 35 -9.841 1.880 -7.155 1.00 0.00 N ATOM 189 CA ASP A 35 -10.010 3.309 -7.364 1.00 0.00 C ATOM 190 C ASP A 35 -9.261 4.079 -6.293 1.00 0.00 C ATOM 191 O ASP A 35 -8.637 5.100 -6.569 1.00 0.00 O ATOM 192 CB ASP A 35 -11.494 3.680 -7.345 1.00 0.00 C ATOM 193 CG ASP A 35 -11.726 5.161 -7.562 1.00 0.00 C ATOM 194 OD1 ASP A 35 -11.621 5.618 -8.724 1.00 0.00 O ATOM 195 OD2 ASP A 35 -12.031 5.868 -6.584 1.00 0.00 O ATOM 0 H ASP A 35 -10.693 1.394 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.602 3.572 -8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.016 3.117 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.927 3.384 -6.389 1.00 0.00 H new ATOM 200 N MET A 36 -9.310 3.566 -5.070 1.00 0.00 N ATOM 201 CA MET A 36 -8.570 4.163 -3.965 1.00 0.00 C ATOM 202 C MET A 36 -7.074 4.097 -4.242 1.00 0.00 C ATOM 203 O MET A 36 -6.338 5.043 -3.969 1.00 0.00 O ATOM 204 CB MET A 36 -8.893 3.461 -2.642 1.00 0.00 C ATOM 205 CG MET A 36 -10.373 3.464 -2.303 1.00 0.00 C ATOM 206 SD MET A 36 -11.083 5.122 -2.279 1.00 0.00 S ATOM 207 CE MET A 36 -10.108 5.889 -0.992 1.00 0.00 C ATOM 0 H MET A 36 -9.853 2.740 -4.818 1.00 0.00 H new ATOM 0 HA MET A 36 -8.872 5.207 -3.877 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.541 2.430 -2.691 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.343 3.948 -1.837 1.00 0.00 H new ATOM 0 HG2 MET A 36 -10.909 2.855 -3.031 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.519 2.998 -1.329 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.746 6.535 -0.389 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.670 5.118 -0.359 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.313 6.483 -1.443 1.00 0.00 H new ATOM 217 N LEU A 37 -6.635 2.976 -4.803 1.00 0.00 N ATOM 218 CA LEU A 37 -5.244 2.811 -5.200 1.00 0.00 C ATOM 219 C LEU A 37 -4.890 3.794 -6.316 1.00 0.00 C ATOM 220 O LEU A 37 -3.831 4.421 -6.295 1.00 0.00 O ATOM 221 CB LEU A 37 -4.994 1.377 -5.671 1.00 0.00 C ATOM 222 CG LEU A 37 -3.558 1.067 -6.108 1.00 0.00 C ATOM 223 CD1 LEU A 37 -2.636 0.935 -4.906 1.00 0.00 C ATOM 224 CD2 LEU A 37 -3.522 -0.199 -6.950 1.00 0.00 C ATOM 0 H LEU A 37 -7.225 2.166 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.611 3.015 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.265 0.696 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.663 1.165 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.202 1.900 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.624 0.715 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.635 1.869 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.987 0.126 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.495 -0.406 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.903 -1.036 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.141 -0.064 -7.837 1.00 0.00 H new ATOM 236 N GLN A 38 -5.795 3.931 -7.280 1.00 0.00 N ATOM 237 CA GLN A 38 -5.587 4.831 -8.407 1.00 0.00 C ATOM 238 C GLN A 38 -5.620 6.289 -7.971 1.00 0.00 C ATOM 239 O GLN A 38 -5.010 7.140 -8.611 1.00 0.00 O ATOM 240 CB GLN A 38 -6.628 4.579 -9.497 1.00 0.00 C ATOM 241 CG GLN A 38 -6.413 3.276 -10.246 1.00 0.00 C ATOM 242 CD GLN A 38 -5.085 3.242 -10.980 1.00 0.00 C ATOM 243 OE1 GLN A 38 -4.582 4.274 -11.428 1.00 0.00 O ATOM 244 NE2 GLN A 38 -4.501 2.060 -11.105 1.00 0.00 N ATOM 0 H GLN A 38 -6.682 3.428 -7.302 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.596 4.626 -8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.620 4.571 -9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.607 5.406 -10.207 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.458 2.444 -9.543 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.224 3.133 -10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.948 1.227 -10.721 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.604 1.982 -11.585 1.00 0.00 H new ATOM 253 N THR A 39 -6.344 6.573 -6.894 1.00 0.00 N ATOM 254 CA THR A 39 -6.341 7.905 -6.302 1.00 0.00 C ATOM 255 C THR A 39 -5.040 8.134 -5.533 1.00 0.00 C ATOM 256 O THR A 39 -4.541 9.254 -5.441 1.00 0.00 O ATOM 257 CB THR A 39 -7.543 8.100 -5.356 1.00 0.00 C ATOM 258 OG1 THR A 39 -8.764 7.806 -6.049 1.00 0.00 O ATOM 259 CG2 THR A 39 -7.598 9.526 -4.821 1.00 0.00 C ATOM 0 H THR A 39 -6.940 5.899 -6.414 1.00 0.00 H new ATOM 0 HA THR A 39 -6.420 8.631 -7.111 1.00 0.00 H new ATOM 0 HB THR A 39 -7.421 7.418 -4.514 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.792 6.852 -6.272 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.456 9.633 -4.157 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.683 9.743 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.694 10.223 -5.653 1.00 0.00 H new ATOM 267 N PHE A 40 -4.488 7.054 -4.996 1.00 0.00 N ATOM 268 CA PHE A 40 -3.234 7.117 -4.260 1.00 0.00 C ATOM 269 C PHE A 40 -2.061 7.396 -5.201 1.00 0.00 C ATOM 270 O PHE A 40 -1.097 8.061 -4.820 1.00 0.00 O ATOM 271 CB PHE A 40 -2.996 5.822 -3.479 1.00 0.00 C ATOM 272 CG PHE A 40 -1.752 5.853 -2.637 1.00 0.00 C ATOM 273 CD1 PHE A 40 -0.766 4.899 -2.808 1.00 0.00 C ATOM 274 CD2 PHE A 40 -1.562 6.849 -1.691 1.00 0.00 C ATOM 275 CE1 PHE A 40 0.387 4.933 -2.052 1.00 0.00 C ATOM 276 CE2 PHE A 40 -0.410 6.887 -0.931 1.00 0.00 C ATOM 277 CZ PHE A 40 0.567 5.927 -1.111 1.00 0.00 C ATOM 0 H PHE A 40 -4.892 6.119 -5.057 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.305 7.940 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.856 5.630 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.930 4.990 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.900 4.118 -3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.323 7.602 -1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.149 4.182 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.273 7.667 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.469 5.954 -0.517 1.00 0.00 H new ATOM 287 N VAL A 41 -2.141 6.868 -6.421 1.00 0.00 N ATOM 288 CA VAL A 41 -1.087 7.051 -7.422 1.00 0.00 C ATOM 289 C VAL A 41 -0.680 8.529 -7.591 1.00 0.00 C ATOM 290 O VAL A 41 0.509 8.839 -7.540 1.00 0.00 O ATOM 291 CB VAL A 41 -1.484 6.437 -8.787 1.00 0.00 C ATOM 292 CG1 VAL A 41 -0.465 6.789 -9.860 1.00 0.00 C ATOM 293 CG2 VAL A 41 -1.623 4.926 -8.669 1.00 0.00 C ATOM 0 H VAL A 41 -2.929 6.306 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.215 6.516 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.446 6.857 -9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.768 6.346 -10.809 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.409 7.872 -9.967 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.513 6.402 -9.574 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.902 4.510 -9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.673 4.497 -8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.393 4.688 -7.936 1.00 0.00 H new ATOM 303 N PRO A 42 -1.635 9.466 -7.796 1.00 0.00 N ATOM 304 CA PRO A 42 -1.320 10.897 -7.848 1.00 0.00 C ATOM 305 C PRO A 42 -0.617 11.398 -6.589 1.00 0.00 C ATOM 306 O PRO A 42 0.205 12.310 -6.660 1.00 0.00 O ATOM 307 CB PRO A 42 -2.681 11.576 -7.991 1.00 0.00 C ATOM 308 CG PRO A 42 -3.558 10.538 -8.586 1.00 0.00 C ATOM 309 CD PRO A 42 -3.064 9.225 -8.050 1.00 0.00 C ATOM 0 HA PRO A 42 -0.632 11.114 -8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.061 11.909 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.619 12.457 -8.630 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.600 10.704 -8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.506 10.560 -9.675 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.590 8.941 -7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.212 8.418 -8.768 1.00 0.00 H new ATOM 317 N TYR A 43 -0.924 10.806 -5.435 1.00 0.00 N ATOM 318 CA TYR A 43 -0.285 11.226 -4.190 1.00 0.00 C ATOM 319 C TYR A 43 1.148 10.719 -4.155 1.00 0.00 C ATOM 320 O TYR A 43 2.039 11.348 -3.581 1.00 0.00 O ATOM 321 CB TYR A 43 -1.058 10.715 -2.966 1.00 0.00 C ATOM 322 CG TYR A 43 -2.357 11.453 -2.709 1.00 0.00 C ATOM 323 CD1 TYR A 43 -2.450 12.387 -1.685 1.00 0.00 C ATOM 324 CD2 TYR A 43 -3.483 11.221 -3.486 1.00 0.00 C ATOM 325 CE1 TYR A 43 -3.629 13.067 -1.444 1.00 0.00 C ATOM 326 CE2 TYR A 43 -4.666 11.896 -3.251 1.00 0.00 C ATOM 327 CZ TYR A 43 -4.734 12.817 -2.230 1.00 0.00 C ATOM 328 OH TYR A 43 -5.911 13.497 -1.994 1.00 0.00 O ATOM 0 H TYR A 43 -1.599 10.048 -5.337 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.287 12.315 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.274 9.655 -3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.422 10.801 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.587 12.585 -1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.434 10.500 -4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.684 13.791 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.533 11.702 -3.865 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.592 13.205 -2.636 1.00 0.00 H new ATOM 338 N ARG A 44 1.354 9.567 -4.782 1.00 0.00 N ATOM 339 CA ARG A 44 2.678 8.977 -4.903 1.00 0.00 C ATOM 340 C ARG A 44 3.622 9.926 -5.612 1.00 0.00 C ATOM 341 O ARG A 44 4.798 9.975 -5.292 1.00 0.00 O ATOM 342 CB ARG A 44 2.628 7.659 -5.664 1.00 0.00 C ATOM 343 CG ARG A 44 1.933 6.540 -4.918 1.00 0.00 C ATOM 344 CD ARG A 44 1.966 5.256 -5.732 1.00 0.00 C ATOM 345 NE ARG A 44 1.486 4.097 -4.988 1.00 0.00 N ATOM 346 CZ ARG A 44 1.308 2.895 -5.534 1.00 0.00 C ATOM 347 NH1 ARG A 44 1.536 2.710 -6.830 1.00 0.00 N ATOM 348 NH2 ARG A 44 0.907 1.876 -4.782 1.00 0.00 N ATOM 0 H ARG A 44 0.612 9.020 -5.218 1.00 0.00 H new ATOM 0 HA ARG A 44 3.043 8.787 -3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.118 7.819 -6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.646 7.348 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.419 6.380 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.900 6.820 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.357 5.384 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.987 5.070 -6.065 1.00 0.00 H new ATOM 0 HE ARG A 44 1.275 4.213 -3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.848 3.489 -7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.399 1.789 -7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.735 2.014 -3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.771 0.956 -5.201 1.00 0.00 H new ATOM 362 N THR A 45 3.106 10.659 -6.588 1.00 0.00 N ATOM 363 CA THR A 45 3.882 11.692 -7.260 1.00 0.00 C ATOM 364 C THR A 45 4.515 12.655 -6.250 1.00 0.00 C ATOM 365 O THR A 45 5.688 13.003 -6.369 1.00 0.00 O ATOM 366 CB THR A 45 2.990 12.476 -8.238 1.00 0.00 C ATOM 367 OG1 THR A 45 2.263 11.557 -9.066 1.00 0.00 O ATOM 368 CG2 THR A 45 3.814 13.405 -9.116 1.00 0.00 C ATOM 0 H THR A 45 2.151 10.557 -6.933 1.00 0.00 H new ATOM 0 HA THR A 45 4.682 11.202 -7.815 1.00 0.00 H new ATOM 0 HB THR A 45 2.298 13.083 -7.654 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.694 12.057 -9.688 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.154 13.944 -9.795 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.350 14.118 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.530 12.820 -9.694 1.00 0.00 H new ATOM 376 N ALA A 46 3.754 13.044 -5.237 1.00 0.00 N ATOM 377 CA ALA A 46 4.273 13.906 -4.178 1.00 0.00 C ATOM 378 C ALA A 46 5.369 13.181 -3.403 1.00 0.00 C ATOM 379 O ALA A 46 6.378 13.768 -3.006 1.00 0.00 O ATOM 380 CB ALA A 46 3.148 14.332 -3.245 1.00 0.00 C ATOM 0 H ALA A 46 2.776 12.778 -5.124 1.00 0.00 H new ATOM 0 HA ALA A 46 4.701 14.801 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.549 14.974 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.393 14.879 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.695 13.449 -2.795 1.00 0.00 H new ATOM 386 N VAL A 47 5.161 11.886 -3.226 1.00 0.00 N ATOM 387 CA VAL A 47 6.136 11.027 -2.567 1.00 0.00 C ATOM 388 C VAL A 47 7.404 10.923 -3.414 1.00 0.00 C ATOM 389 O VAL A 47 8.516 11.002 -2.894 1.00 0.00 O ATOM 390 CB VAL A 47 5.572 9.610 -2.309 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.631 8.703 -1.697 1.00 0.00 C ATOM 392 CG2 VAL A 47 4.345 9.676 -1.413 1.00 0.00 C ATOM 0 H VAL A 47 4.317 11.402 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 47 6.370 11.480 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 47 5.277 9.186 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.208 7.713 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.479 8.623 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.966 9.123 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.964 8.669 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.616 10.127 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.575 10.279 -1.894 1.00 0.00 H new ATOM 402 N GLU A 48 7.224 10.769 -4.724 1.00 0.00 N ATOM 403 CA GLU A 48 8.345 10.665 -5.651 1.00 0.00 C ATOM 404 C GLU A 48 9.126 11.969 -5.691 1.00 0.00 C ATOM 405 O GLU A 48 10.348 11.958 -5.745 1.00 0.00 O ATOM 406 CB GLU A 48 7.867 10.305 -7.066 1.00 0.00 C ATOM 407 CG GLU A 48 7.082 9.005 -7.150 1.00 0.00 C ATOM 408 CD GLU A 48 6.718 8.637 -8.574 1.00 0.00 C ATOM 409 OE1 GLU A 48 5.731 9.189 -9.108 1.00 0.00 O ATOM 410 OE2 GLU A 48 7.416 7.793 -9.175 1.00 0.00 O ATOM 0 H GLU A 48 6.307 10.713 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 48 8.995 9.867 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.245 11.116 -7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.734 10.235 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.670 8.200 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.172 9.095 -6.558 1.00 0.00 H new ATOM 417 N LEU A 49 8.415 13.091 -5.660 1.00 0.00 N ATOM 418 CA LEU A 49 9.056 14.403 -5.624 1.00 0.00 C ATOM 419 C LEU A 49 9.950 14.523 -4.397 1.00 0.00 C ATOM 420 O LEU A 49 11.084 14.997 -4.484 1.00 0.00 O ATOM 421 CB LEU A 49 8.009 15.523 -5.627 1.00 0.00 C ATOM 422 CG LEU A 49 7.676 16.121 -7.002 1.00 0.00 C ATOM 423 CD1 LEU A 49 8.890 16.823 -7.589 1.00 0.00 C ATOM 424 CD2 LEU A 49 7.175 15.052 -7.960 1.00 0.00 C ATOM 0 H LEU A 49 7.395 13.120 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 49 9.670 14.505 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.090 15.137 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.360 16.325 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 49 6.880 16.853 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.634 17.240 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.204 17.626 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.704 16.107 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.948 15.506 -8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.944 14.290 -8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.274 14.593 -7.554 1.00 0.00 H new ATOM 436 N CYS A 50 9.436 14.077 -3.263 1.00 0.00 N ATOM 437 CA CYS A 50 10.208 14.047 -2.030 1.00 0.00 C ATOM 438 C CYS A 50 11.404 13.098 -2.179 1.00 0.00 C ATOM 439 O CYS A 50 12.554 13.478 -1.931 1.00 0.00 O ATOM 440 CB CYS A 50 9.301 13.618 -0.866 1.00 0.00 C ATOM 441 SG CYS A 50 10.156 13.386 0.723 1.00 0.00 S ATOM 0 H CYS A 50 8.482 13.729 -3.170 1.00 0.00 H new ATOM 0 HA CYS A 50 10.595 15.043 -1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 50 8.521 14.368 -0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.805 12.685 -1.135 1.00 0.00 H new ATOM 446 N ALA A 51 11.115 11.866 -2.598 1.00 0.00 N ATOM 447 CA ALA A 51 12.145 10.856 -2.857 1.00 0.00 C ATOM 448 C ALA A 51 13.201 11.332 -3.859 1.00 0.00 C ATOM 449 O ALA A 51 14.335 10.876 -3.828 1.00 0.00 O ATOM 450 CB ALA A 51 11.502 9.567 -3.354 1.00 0.00 C ATOM 0 H ALA A 51 10.164 11.539 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 51 12.657 10.675 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.276 8.824 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.813 9.189 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.956 9.765 -4.276 1.00 0.00 H new ATOM 456 N LEU A 52 12.829 12.230 -4.756 1.00 0.00 N ATOM 457 CA LEU A 52 13.773 12.748 -5.743 1.00 0.00 C ATOM 458 C LEU A 52 14.626 13.870 -5.162 1.00 0.00 C ATOM 459 O LEU A 52 15.826 13.955 -5.435 1.00 0.00 O ATOM 460 CB LEU A 52 13.043 13.241 -6.997 1.00 0.00 C ATOM 461 CG LEU A 52 12.457 12.142 -7.894 1.00 0.00 C ATOM 462 CD1 LEU A 52 11.624 12.751 -9.010 1.00 0.00 C ATOM 463 CD2 LEU A 52 13.562 11.274 -8.478 1.00 0.00 C ATOM 0 H LEU A 52 11.887 12.616 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 52 14.432 11.926 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.235 13.904 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.737 13.838 -7.589 1.00 0.00 H new ATOM 0 HG LEU A 52 11.812 11.513 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.217 11.956 -9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.806 13.329 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.251 13.405 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.123 10.502 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.234 11.892 -9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.122 10.805 -7.669 1.00 0.00 H new ATOM 475 N GLU A 53 14.005 14.719 -4.356 1.00 0.00 N ATOM 476 CA GLU A 53 14.671 15.902 -3.826 1.00 0.00 C ATOM 477 C GLU A 53 15.699 15.541 -2.752 1.00 0.00 C ATOM 478 O GLU A 53 16.813 16.060 -2.754 1.00 0.00 O ATOM 479 CB GLU A 53 13.634 16.876 -3.259 1.00 0.00 C ATOM 480 CG GLU A 53 14.219 18.204 -2.806 1.00 0.00 C ATOM 481 CD GLU A 53 13.157 19.175 -2.342 1.00 0.00 C ATOM 482 OE1 GLU A 53 12.848 19.192 -1.134 1.00 0.00 O ATOM 483 OE2 GLU A 53 12.626 19.931 -3.182 1.00 0.00 O ATOM 0 H GLU A 53 13.037 14.611 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 53 15.206 16.379 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.874 17.065 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.131 16.405 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.926 18.028 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.780 18.649 -3.627 1.00 0.00 H new ATOM 490 N HIS A 54 15.328 14.649 -1.845 1.00 0.00 N ATOM 491 CA HIS A 54 16.213 14.289 -0.736 1.00 0.00 C ATOM 492 C HIS A 54 16.788 12.884 -0.929 1.00 0.00 C ATOM 493 O HIS A 54 17.745 12.488 -0.261 1.00 0.00 O ATOM 494 CB HIS A 54 15.432 14.385 0.584 1.00 0.00 C ATOM 495 CG HIS A 54 16.216 14.001 1.802 1.00 0.00 C ATOM 496 ND1 HIS A 54 15.879 12.928 2.596 1.00 0.00 N ATOM 497 CD2 HIS A 54 17.316 14.556 2.366 1.00 0.00 C ATOM 498 CE1 HIS A 54 16.737 12.837 3.596 1.00 0.00 C ATOM 499 NE2 HIS A 54 17.616 13.812 3.478 1.00 0.00 N ATOM 0 H HIS A 54 14.431 14.163 -1.850 1.00 0.00 H new ATOM 0 HA HIS A 54 17.053 14.984 -0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 54 15.074 15.407 0.706 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.552 13.745 0.518 1.00 0.00 H new ATOM 0 HD1 HIS A 54 15.090 12.301 2.437 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.855 15.421 2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.721 12.091 4.377 1.00 0.00 H new ATOM 508 N GLY A 55 16.197 12.151 -1.857 1.00 0.00 N ATOM 509 CA GLY A 55 16.591 10.782 -2.170 1.00 0.00 C ATOM 510 C GLY A 55 16.347 9.791 -1.039 1.00 0.00 C ATOM 511 O GLY A 55 16.271 8.587 -1.281 1.00 0.00 O ATOM 0 H GLY A 55 15.420 12.491 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.045 10.451 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.650 10.770 -2.427 1.00 0.00 H new ATOM 515 N GLY A 56 16.220 10.275 0.189 1.00 0.00 N ATOM 516 CA GLY A 56 15.657 9.444 1.232 1.00 0.00 C ATOM 517 C GLY A 56 14.261 9.863 1.635 1.00 0.00 C ATOM 518 O GLY A 56 13.947 11.055 1.665 1.00 0.00 O ATOM 0 H GLY A 56 16.493 11.214 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.635 8.409 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.307 9.478 2.106 1.00 0.00 H new ATOM 522 N LEU A 57 13.445 8.875 1.983 1.00 0.00 N ATOM 523 CA LEU A 57 12.051 9.090 2.361 1.00 0.00 C ATOM 524 C LEU A 57 11.945 9.723 3.745 1.00 0.00 C ATOM 525 O LEU A 57 10.852 10.014 4.224 1.00 0.00 O ATOM 526 CB LEU A 57 11.291 7.766 2.342 1.00 0.00 C ATOM 527 CG LEU A 57 11.233 7.061 0.985 1.00 0.00 C ATOM 528 CD1 LEU A 57 10.849 5.601 1.162 1.00 0.00 C ATOM 529 CD2 LEU A 57 10.241 7.755 0.061 1.00 0.00 C ATOM 0 H LEU A 57 13.732 7.897 2.011 1.00 0.00 H new ATOM 0 HA LEU A 57 11.609 9.774 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.752 7.091 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.271 7.947 2.682 1.00 0.00 H new ATOM 0 HG LEU A 57 12.223 7.111 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.812 5.114 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.589 5.104 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.870 5.537 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.215 7.238 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.249 7.735 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.549 8.789 -0.092 1.00 0.00 H new ATOM 541 N ASP A 58 13.093 9.898 4.384 1.00 0.00 N ATOM 542 CA ASP A 58 13.184 10.475 5.722 1.00 0.00 C ATOM 543 C ASP A 58 12.386 11.766 5.847 1.00 0.00 C ATOM 544 O ASP A 58 11.783 12.034 6.886 1.00 0.00 O ATOM 545 CB ASP A 58 14.642 10.759 6.070 1.00 0.00 C ATOM 546 CG ASP A 58 15.513 9.527 5.987 1.00 0.00 C ATOM 547 OD1 ASP A 58 15.848 9.105 4.857 1.00 0.00 O ATOM 548 OD2 ASP A 58 15.874 8.978 7.050 1.00 0.00 O ATOM 0 H ASP A 58 13.997 9.642 3.987 1.00 0.00 H new ATOM 0 HA ASP A 58 12.762 9.746 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.031 11.520 5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.697 11.170 7.078 1.00 0.00 H new ATOM 553 N THR A 59 12.387 12.557 4.789 1.00 0.00 N ATOM 554 CA THR A 59 11.724 13.847 4.801 1.00 0.00 C ATOM 555 C THR A 59 10.312 13.761 4.229 1.00 0.00 C ATOM 556 O THR A 59 9.621 14.767 4.097 1.00 0.00 O ATOM 557 CB THR A 59 12.546 14.866 3.998 1.00 0.00 C ATOM 558 OG1 THR A 59 12.875 14.319 2.711 1.00 0.00 O ATOM 559 CG2 THR A 59 13.821 15.228 4.738 1.00 0.00 C ATOM 0 H THR A 59 12.843 12.326 3.906 1.00 0.00 H new ATOM 0 HA THR A 59 11.647 14.170 5.839 1.00 0.00 H new ATOM 0 HB THR A 59 11.948 15.768 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.051 14.133 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.389 15.951 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.569 15.662 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.422 14.331 4.888 1.00 0.00 H new ATOM 567 N CYS A 60 9.876 12.555 3.910 1.00 0.00 N ATOM 568 CA CYS A 60 8.569 12.362 3.312 1.00 0.00 C ATOM 569 C CYS A 60 7.547 12.052 4.400 1.00 0.00 C ATOM 570 O CYS A 60 6.882 11.012 4.383 1.00 0.00 O ATOM 571 CB CYS A 60 8.626 11.235 2.277 1.00 0.00 C ATOM 572 SG CYS A 60 9.986 11.390 1.066 1.00 0.00 S ATOM 0 H CYS A 60 10.408 11.697 4.055 1.00 0.00 H new ATOM 0 HA CYS A 60 8.265 13.276 2.802 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.727 10.284 2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.679 11.204 1.739 1.00 0.00 H new ATOM 577 N ASP A 61 7.445 12.962 5.357 1.00 0.00 N ATOM 578 CA ASP A 61 6.555 12.791 6.499 1.00 0.00 C ATOM 579 C ASP A 61 5.313 13.654 6.349 1.00 0.00 C ATOM 580 O ASP A 61 5.399 14.815 5.942 1.00 0.00 O ATOM 581 CB ASP A 61 7.284 13.161 7.794 1.00 0.00 C ATOM 582 CG ASP A 61 6.378 13.119 9.011 1.00 0.00 C ATOM 583 OD1 ASP A 61 6.072 14.198 9.565 1.00 0.00 O ATOM 584 OD2 ASP A 61 5.971 12.011 9.421 1.00 0.00 O ATOM 0 H ASP A 61 7.972 13.835 5.366 1.00 0.00 H new ATOM 0 HA ASP A 61 6.251 11.745 6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.119 12.476 7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.706 14.161 7.695 1.00 0.00 H new ATOM 589 N GLY A 62 4.162 13.086 6.680 1.00 0.00 N ATOM 590 CA GLY A 62 2.926 13.831 6.604 1.00 0.00 C ATOM 591 C GLY A 62 2.832 14.867 7.700 1.00 0.00 C ATOM 592 O GLY A 62 2.551 14.537 8.856 1.00 0.00 O ATOM 0 H GLY A 62 4.064 12.122 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.855 14.321 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.082 13.145 6.678 1.00 0.00 H new ATOM 596 N GLY A 63 3.072 16.119 7.349 1.00 0.00 N ATOM 597 CA GLY A 63 3.040 17.180 8.331 1.00 0.00 C ATOM 598 C GLY A 63 4.304 18.014 8.334 1.00 0.00 C ATOM 599 O GLY A 63 4.434 18.944 9.127 1.00 0.00 O ATOM 0 H GLY A 63 3.289 16.420 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.184 17.826 8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.892 16.748 9.321 1.00 0.00 H new ATOM 603 N SER A 64 5.245 17.680 7.462 1.00 0.00 N ATOM 604 CA SER A 64 6.485 18.428 7.364 1.00 0.00 C ATOM 605 C SER A 64 7.002 18.418 5.929 1.00 0.00 C ATOM 606 O SER A 64 6.484 17.683 5.085 1.00 0.00 O ATOM 607 CB SER A 64 7.523 17.834 8.318 1.00 0.00 C ATOM 608 OG SER A 64 7.679 16.438 8.106 1.00 0.00 O ATOM 0 H SER A 64 5.171 16.896 6.814 1.00 0.00 H new ATOM 0 HA SER A 64 6.299 19.464 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.480 18.335 8.175 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.219 18.016 9.349 1.00 0.00 H new ATOM 0 HG SER A 64 7.071 15.947 8.698 1.00 0.00 H new ATOM 614 N ASN A 65 8.014 19.243 5.657 1.00 0.00 N ATOM 615 CA ASN A 65 8.667 19.292 4.344 1.00 0.00 C ATOM 616 C ASN A 65 7.685 19.632 3.226 1.00 0.00 C ATOM 617 O ASN A 65 7.817 19.145 2.101 1.00 0.00 O ATOM 618 CB ASN A 65 9.365 17.963 4.036 1.00 0.00 C ATOM 619 CG ASN A 65 10.440 17.620 5.058 1.00 0.00 C ATOM 620 OD1 ASN A 65 11.600 18.000 4.905 1.00 0.00 O ATOM 621 ND2 ASN A 65 10.069 16.891 6.104 1.00 0.00 N ATOM 0 H ASN A 65 8.405 19.895 6.337 1.00 0.00 H new ATOM 0 HA ASN A 65 9.410 20.088 4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.624 17.164 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.814 18.013 3.044 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.755 16.629 6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.098 16.593 6.199 1.00 0.00 H new ATOM 628 N GLY A 66 6.703 20.466 3.538 1.00 0.00 N ATOM 629 CA GLY A 66 5.727 20.870 2.545 1.00 0.00 C ATOM 630 C GLY A 66 4.562 19.907 2.453 1.00 0.00 C ATOM 631 O GLY A 66 3.497 20.261 1.949 1.00 0.00 O ATOM 0 H GLY A 66 6.564 20.871 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.354 21.864 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.212 20.943 1.572 1.00 0.00 H new ATOM 635 N ILE A 67 4.759 18.697 2.955 1.00 0.00 N ATOM 636 CA ILE A 67 3.727 17.682 2.929 1.00 0.00 C ATOM 637 C ILE A 67 2.763 17.914 4.084 1.00 0.00 C ATOM 638 O ILE A 67 3.184 18.026 5.235 1.00 0.00 O ATOM 639 CB ILE A 67 4.330 16.261 3.030 1.00 0.00 C ATOM 640 CG1 ILE A 67 5.349 16.039 1.910 1.00 0.00 C ATOM 641 CG2 ILE A 67 3.233 15.205 2.965 1.00 0.00 C ATOM 642 CD1 ILE A 67 5.976 14.661 1.925 1.00 0.00 C ATOM 0 H ILE A 67 5.633 18.397 3.388 1.00 0.00 H new ATOM 0 HA ILE A 67 3.197 17.755 1.979 1.00 0.00 H new ATOM 0 HB ILE A 67 4.837 16.169 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.860 16.196 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.136 16.788 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.678 14.213 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.537 15.352 3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.698 15.294 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.687 14.576 1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.495 14.508 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.198 13.906 1.811 1.00 0.00 H new ATOM 654 N PRO A 68 1.461 18.013 3.796 1.00 0.00 N ATOM 655 CA PRO A 68 0.453 18.298 4.814 1.00 0.00 C ATOM 656 C PRO A 68 0.209 17.112 5.739 1.00 0.00 C ATOM 657 O PRO A 68 0.346 15.954 5.333 1.00 0.00 O ATOM 658 CB PRO A 68 -0.802 18.602 3.997 1.00 0.00 C ATOM 659 CG PRO A 68 -0.615 17.860 2.719 1.00 0.00 C ATOM 660 CD PRO A 68 0.869 17.850 2.454 1.00 0.00 C ATOM 0 HA PRO A 68 0.759 19.112 5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.702 18.273 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.909 19.672 3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.004 16.845 2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.153 18.345 1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.187 16.918 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.163 18.659 1.785 1.00 0.00 H new ATOM 668 N SER A 69 -0.107 17.418 6.995 1.00 0.00 N ATOM 669 CA SER A 69 -0.521 16.415 7.965 1.00 0.00 C ATOM 670 C SER A 69 -1.563 15.484 7.350 1.00 0.00 C ATOM 671 O SER A 69 -2.480 15.944 6.662 1.00 0.00 O ATOM 672 CB SER A 69 -1.098 17.105 9.203 1.00 0.00 C ATOM 673 OG SER A 69 -0.160 18.013 9.767 1.00 0.00 O ATOM 0 H SER A 69 -0.082 18.368 7.366 1.00 0.00 H new ATOM 0 HA SER A 69 0.346 15.822 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.009 17.639 8.934 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.375 16.356 9.945 1.00 0.00 H new ATOM 0 HG SER A 69 -0.553 18.442 10.555 1.00 0.00 H new ATOM 679 N PRO A 70 -1.426 14.168 7.588 1.00 0.00 N ATOM 680 CA PRO A 70 -2.278 13.154 6.968 1.00 0.00 C ATOM 681 C PRO A 70 -3.756 13.453 7.157 1.00 0.00 C ATOM 682 O PRO A 70 -4.198 13.817 8.248 1.00 0.00 O ATOM 683 CB PRO A 70 -1.894 11.849 7.678 1.00 0.00 C ATOM 684 CG PRO A 70 -1.096 12.261 8.869 1.00 0.00 C ATOM 685 CD PRO A 70 -0.450 13.565 8.501 1.00 0.00 C ATOM 0 HA PRO A 70 -2.129 13.112 5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.781 11.289 7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.313 11.202 7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.733 12.375 9.746 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.346 11.509 9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.275 14.191 9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.516 13.415 8.018 1.00 0.00 H new ATOM 693 N THR A 71 -4.509 13.294 6.092 1.00 0.00 N ATOM 694 CA THR A 71 -5.913 13.636 6.095 1.00 0.00 C ATOM 695 C THR A 71 -6.697 12.504 5.456 1.00 0.00 C ATOM 696 O THR A 71 -6.110 11.547 4.952 1.00 0.00 O ATOM 697 CB THR A 71 -6.170 14.967 5.344 1.00 0.00 C ATOM 698 OG1 THR A 71 -7.540 15.368 5.486 1.00 0.00 O ATOM 699 CG2 THR A 71 -5.825 14.840 3.866 1.00 0.00 C ATOM 0 H THR A 71 -4.168 12.926 5.204 1.00 0.00 H new ATOM 0 HA THR A 71 -6.241 13.776 7.125 1.00 0.00 H new ATOM 0 HB THR A 71 -5.525 15.726 5.787 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.685 16.211 5.008 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.015 15.789 3.365 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.772 14.578 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.440 14.062 3.414 1.00 0.00 H new ATOM 707 N THR A 72 -8.006 12.610 5.477 1.00 0.00 N ATOM 708 CA THR A 72 -8.852 11.570 4.943 1.00 0.00 C ATOM 709 C THR A 72 -9.860 12.155 3.972 1.00 0.00 C ATOM 710 O THR A 72 -10.578 13.107 4.296 1.00 0.00 O ATOM 711 CB THR A 72 -9.592 10.814 6.064 1.00 0.00 C ATOM 712 OG1 THR A 72 -10.262 11.740 6.928 1.00 0.00 O ATOM 713 CG2 THR A 72 -8.630 9.966 6.880 1.00 0.00 C ATOM 0 H THR A 72 -8.509 13.410 5.860 1.00 0.00 H new ATOM 0 HA THR A 72 -8.211 10.862 4.418 1.00 0.00 H new ATOM 0 HB THR A 72 -10.325 10.157 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.595 12.496 6.401 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.180 9.444 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.146 9.238 6.230 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.874 10.607 7.333 1.00 0.00 H new ATOM 721 N THR A 73 -9.893 11.599 2.775 1.00 0.00 N ATOM 722 CA THR A 73 -10.876 11.971 1.783 1.00 0.00 C ATOM 723 C THR A 73 -12.231 11.419 2.201 1.00 0.00 C ATOM 724 O THR A 73 -12.328 10.739 3.226 1.00 0.00 O ATOM 725 CB THR A 73 -10.500 11.432 0.390 1.00 0.00 C ATOM 726 OG1 THR A 73 -10.545 10.004 0.400 1.00 0.00 O ATOM 727 CG2 THR A 73 -9.106 11.890 -0.015 1.00 0.00 C ATOM 0 H THR A 73 -9.240 10.879 2.467 1.00 0.00 H new ATOM 0 HA THR A 73 -10.914 13.058 1.719 1.00 0.00 H new ATOM 0 HB THR A 73 -11.217 11.822 -0.333 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.307 9.663 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.866 11.495 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.074 12.979 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.378 11.524 0.709 1.00 0.00 H new ATOM 735 N ARG A 74 -13.270 11.705 1.433 1.00 0.00 N ATOM 736 CA ARG A 74 -14.605 11.245 1.785 1.00 0.00 C ATOM 737 C ARG A 74 -14.635 9.727 1.982 1.00 0.00 C ATOM 738 O ARG A 74 -15.237 9.235 2.939 1.00 0.00 O ATOM 739 CB ARG A 74 -15.620 11.667 0.715 1.00 0.00 C ATOM 740 CG ARG A 74 -17.008 11.081 0.918 1.00 0.00 C ATOM 741 CD ARG A 74 -17.566 11.418 2.293 1.00 0.00 C ATOM 742 NE ARG A 74 -18.899 10.858 2.495 1.00 0.00 N ATOM 743 CZ ARG A 74 -19.350 10.408 3.667 1.00 0.00 C ATOM 744 NH1 ARG A 74 -18.559 10.415 4.735 1.00 0.00 N ATOM 745 NH2 ARG A 74 -20.593 9.949 3.768 1.00 0.00 N ATOM 0 H ARG A 74 -13.217 12.247 0.571 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.880 11.712 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.693 12.755 0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.248 11.365 -0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.680 11.462 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.967 9.998 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.893 11.037 3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.606 12.501 2.413 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.524 10.808 1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.604 10.765 4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.907 10.070 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.202 9.941 2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.938 9.605 4.664 1.00 0.00 H new ATOM 759 N TYR A 75 -13.975 8.984 1.101 1.00 0.00 N ATOM 760 CA TYR A 75 -13.984 7.529 1.188 1.00 0.00 C ATOM 761 C TYR A 75 -12.893 6.977 2.106 1.00 0.00 C ATOM 762 O TYR A 75 -12.989 5.838 2.553 1.00 0.00 O ATOM 763 CB TYR A 75 -13.845 6.918 -0.207 1.00 0.00 C ATOM 764 CG TYR A 75 -14.990 7.269 -1.130 1.00 0.00 C ATOM 765 CD1 TYR A 75 -16.192 6.580 -1.061 1.00 0.00 C ATOM 766 CD2 TYR A 75 -14.873 8.290 -2.063 1.00 0.00 C ATOM 767 CE1 TYR A 75 -17.246 6.896 -1.895 1.00 0.00 C ATOM 768 CE2 TYR A 75 -15.922 8.613 -2.902 1.00 0.00 C ATOM 769 CZ TYR A 75 -17.106 7.914 -2.814 1.00 0.00 C ATOM 770 OH TYR A 75 -18.155 8.232 -3.651 1.00 0.00 O ATOM 0 H TYR A 75 -13.431 9.361 0.325 1.00 0.00 H new ATOM 0 HA TYR A 75 -14.941 7.248 1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -12.910 7.258 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -13.780 5.834 -0.116 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -16.305 5.782 -0.342 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -13.947 8.841 -2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -18.175 6.349 -1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -15.814 9.410 -3.623 1.00 0.00 H new ATOM 0 HH TYR A 75 -17.893 8.972 -4.237 1.00 0.00 H new ATOM 780 N VAL A 76 -11.868 7.766 2.405 1.00 0.00 N ATOM 781 CA VAL A 76 -10.770 7.273 3.237 1.00 0.00 C ATOM 782 C VAL A 76 -11.139 7.362 4.711 1.00 0.00 C ATOM 783 O VAL A 76 -11.576 8.402 5.195 1.00 0.00 O ATOM 784 CB VAL A 76 -9.447 8.036 2.995 1.00 0.00 C ATOM 785 CG1 VAL A 76 -8.394 7.626 4.016 1.00 0.00 C ATOM 786 CG2 VAL A 76 -8.929 7.777 1.593 1.00 0.00 C ATOM 0 H VAL A 76 -11.771 8.732 2.092 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.609 6.233 2.952 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.649 9.101 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.471 8.175 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.753 7.853 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.203 6.556 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.998 8.323 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.749 6.710 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.667 8.112 0.865 1.00 0.00 H new ATOM 796 N SER A 77 -10.955 6.258 5.415 1.00 0.00 N ATOM 797 CA SER A 77 -11.365 6.164 6.805 1.00 0.00 C ATOM 798 C SER A 77 -10.243 6.620 7.737 1.00 0.00 C ATOM 799 O SER A 77 -10.491 7.310 8.729 1.00 0.00 O ATOM 800 CB SER A 77 -11.780 4.725 7.129 1.00 0.00 C ATOM 801 OG SER A 77 -12.373 4.634 8.414 1.00 0.00 O ATOM 0 H SER A 77 -10.523 5.412 5.045 1.00 0.00 H new ATOM 0 HA SER A 77 -12.219 6.824 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.483 4.369 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.907 4.074 7.083 1.00 0.00 H new ATOM 0 HG SER A 77 -12.771 3.746 8.529 1.00 0.00 H new ATOM 807 N ALA A 78 -9.014 6.243 7.411 1.00 0.00 N ATOM 808 CA ALA A 78 -7.859 6.579 8.233 1.00 0.00 C ATOM 809 C ALA A 78 -6.578 6.257 7.483 1.00 0.00 C ATOM 810 O ALA A 78 -6.496 5.228 6.812 1.00 0.00 O ATOM 811 CB ALA A 78 -7.896 5.821 9.553 1.00 0.00 C ATOM 0 H ALA A 78 -8.790 5.700 6.577 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.889 7.647 8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.024 6.088 10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.803 6.083 10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.888 4.749 9.357 1.00 0.00 H new ATOM 817 N MET A 79 -5.591 7.135 7.595 1.00 0.00 N ATOM 818 CA MET A 79 -4.315 6.954 6.916 1.00 0.00 C ATOM 819 C MET A 79 -3.273 7.921 7.466 1.00 0.00 C ATOM 820 O MET A 79 -3.592 9.056 7.823 1.00 0.00 O ATOM 821 CB MET A 79 -4.458 7.152 5.401 1.00 0.00 C ATOM 822 CG MET A 79 -4.940 8.538 4.991 1.00 0.00 C ATOM 823 SD MET A 79 -5.021 8.750 3.200 1.00 0.00 S ATOM 824 CE MET A 79 -3.304 8.523 2.744 1.00 0.00 C ATOM 0 H MET A 79 -5.650 7.986 8.154 1.00 0.00 H new ATOM 0 HA MET A 79 -3.986 5.931 7.101 1.00 0.00 H new ATOM 0 HB2 MET A 79 -3.494 6.961 4.929 1.00 0.00 H new ATOM 0 HB3 MET A 79 -5.155 6.409 5.014 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.927 8.715 5.418 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.271 9.289 5.411 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.119 8.993 1.778 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.664 8.980 3.498 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.083 7.458 2.678 1.00 0.00 H new ATOM 834 N SER A 80 -2.034 7.459 7.552 1.00 0.00 N ATOM 835 CA SER A 80 -0.937 8.298 8.002 1.00 0.00 C ATOM 836 C SER A 80 0.295 8.068 7.130 1.00 0.00 C ATOM 837 O SER A 80 0.463 6.993 6.552 1.00 0.00 O ATOM 838 CB SER A 80 -0.615 8.009 9.470 1.00 0.00 C ATOM 839 OG SER A 80 0.249 8.994 10.012 1.00 0.00 O ATOM 0 H SER A 80 -1.764 6.504 7.315 1.00 0.00 H new ATOM 0 HA SER A 80 -1.235 9.343 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.539 7.975 10.047 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.150 7.027 9.556 1.00 0.00 H new ATOM 0 HG SER A 80 0.436 8.784 10.951 1.00 0.00 H new ATOM 845 N VAL A 81 1.149 9.081 7.045 1.00 0.00 N ATOM 846 CA VAL A 81 2.331 9.031 6.196 1.00 0.00 C ATOM 847 C VAL A 81 3.590 9.126 7.047 1.00 0.00 C ATOM 848 O VAL A 81 3.828 10.146 7.696 1.00 0.00 O ATOM 849 CB VAL A 81 2.331 10.185 5.167 1.00 0.00 C ATOM 850 CG1 VAL A 81 3.505 10.061 4.203 1.00 0.00 C ATOM 851 CG2 VAL A 81 1.013 10.231 4.411 1.00 0.00 C ATOM 0 H VAL A 81 1.042 9.955 7.560 1.00 0.00 H new ATOM 0 HA VAL A 81 2.314 8.082 5.660 1.00 0.00 H new ATOM 0 HB VAL A 81 2.445 11.122 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.480 10.886 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.440 10.093 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.436 9.115 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.034 11.050 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.863 9.289 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.195 10.387 5.115 1.00 0.00 H new ATOM 861 N ALA A 82 4.397 8.076 7.027 1.00 0.00 N ATOM 862 CA ALA A 82 5.595 8.018 7.841 1.00 0.00 C ATOM 863 C ALA A 82 6.779 7.531 7.014 1.00 0.00 C ATOM 864 O ALA A 82 6.841 6.369 6.622 1.00 0.00 O ATOM 865 CB ALA A 82 5.370 7.109 9.036 1.00 0.00 C ATOM 0 H ALA A 82 4.240 7.249 6.451 1.00 0.00 H new ATOM 0 HA ALA A 82 5.821 9.021 8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.276 7.072 9.641 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.547 7.496 9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.125 6.105 8.689 1.00 0.00 H new ATOM 871 N LYS A 83 7.715 8.438 6.788 1.00 0.00 N ATOM 872 CA LYS A 83 8.895 8.165 5.957 1.00 0.00 C ATOM 873 C LYS A 83 8.462 7.629 4.586 1.00 0.00 C ATOM 874 O LYS A 83 9.033 6.667 4.076 1.00 0.00 O ATOM 875 CB LYS A 83 9.809 7.128 6.636 1.00 0.00 C ATOM 876 CG LYS A 83 10.301 7.526 8.018 1.00 0.00 C ATOM 877 CD LYS A 83 11.335 8.631 7.942 1.00 0.00 C ATOM 878 CE LYS A 83 11.918 8.954 9.310 1.00 0.00 C ATOM 879 NZ LYS A 83 12.724 7.827 9.855 1.00 0.00 N ATOM 0 H LYS A 83 7.687 9.383 7.170 1.00 0.00 H new ATOM 0 HA LYS A 83 9.444 9.098 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.270 6.184 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.672 6.949 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.458 7.856 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.731 6.657 8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.137 8.333 7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.879 9.527 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.543 9.844 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.109 9.189 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.278 8.159 10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.089 7.060 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.369 7.474 9.119 1.00 0.00 H new ATOM 893 N GLY A 84 7.429 8.236 4.013 1.00 0.00 N ATOM 894 CA GLY A 84 6.888 7.783 2.735 1.00 0.00 C ATOM 895 C GLY A 84 5.988 6.560 2.870 1.00 0.00 C ATOM 896 O GLY A 84 5.144 6.307 2.012 1.00 0.00 O ATOM 0 H GLY A 84 6.949 9.043 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.322 8.595 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.712 7.549 2.060 1.00 0.00 H new ATOM 900 N VAL A 85 6.189 5.803 3.938 1.00 0.00 N ATOM 901 CA VAL A 85 5.322 4.677 4.264 1.00 0.00 C ATOM 902 C VAL A 85 3.936 5.201 4.615 1.00 0.00 C ATOM 903 O VAL A 85 3.811 6.212 5.295 1.00 0.00 O ATOM 904 CB VAL A 85 5.885 3.844 5.440 1.00 0.00 C ATOM 905 CG1 VAL A 85 5.000 2.642 5.733 1.00 0.00 C ATOM 906 CG2 VAL A 85 7.308 3.395 5.146 1.00 0.00 C ATOM 0 H VAL A 85 6.951 5.949 4.600 1.00 0.00 H new ATOM 0 HA VAL A 85 5.267 4.022 3.395 1.00 0.00 H new ATOM 0 HB VAL A 85 5.897 4.480 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.420 2.075 6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.999 2.983 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.947 2.006 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.686 2.811 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.317 2.783 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.942 4.269 4.998 1.00 0.00 H new ATOM 916 N VAL A 86 2.893 4.528 4.160 1.00 0.00 N ATOM 917 CA VAL A 86 1.540 5.027 4.347 1.00 0.00 C ATOM 918 C VAL A 86 0.627 3.894 4.795 1.00 0.00 C ATOM 919 O VAL A 86 0.341 2.972 4.032 1.00 0.00 O ATOM 920 CB VAL A 86 0.973 5.657 3.053 1.00 0.00 C ATOM 921 CG1 VAL A 86 -0.443 6.163 3.280 1.00 0.00 C ATOM 922 CG2 VAL A 86 1.867 6.787 2.563 1.00 0.00 C ATOM 0 H VAL A 86 2.955 3.640 3.662 1.00 0.00 H new ATOM 0 HA VAL A 86 1.581 5.802 5.112 1.00 0.00 H new ATOM 0 HB VAL A 86 0.947 4.884 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.824 6.603 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.083 5.332 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.438 6.917 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.447 7.214 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.931 7.559 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.864 6.398 2.356 1.00 0.00 H new ATOM 932 N SER A 87 0.199 3.951 6.038 1.00 0.00 N ATOM 933 CA SER A 87 -0.689 2.932 6.562 1.00 0.00 C ATOM 934 C SER A 87 -2.111 3.455 6.681 1.00 0.00 C ATOM 935 O SER A 87 -2.349 4.555 7.181 1.00 0.00 O ATOM 936 CB SER A 87 -0.189 2.421 7.915 1.00 0.00 C ATOM 937 OG SER A 87 -0.865 1.231 8.290 1.00 0.00 O ATOM 0 H SER A 87 0.448 4.685 6.701 1.00 0.00 H new ATOM 0 HA SER A 87 -0.693 2.099 5.860 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.883 2.233 7.863 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.342 3.186 8.676 1.00 0.00 H new ATOM 0 HG SER A 87 -1.201 0.779 7.488 1.00 0.00 H new ATOM 943 N LEU A 88 -3.045 2.654 6.186 1.00 0.00 N ATOM 944 CA LEU A 88 -4.459 2.982 6.236 1.00 0.00 C ATOM 945 C LEU A 88 -5.168 2.009 7.163 1.00 0.00 C ATOM 946 O LEU A 88 -4.839 0.822 7.190 1.00 0.00 O ATOM 947 CB LEU A 88 -5.096 2.926 4.841 1.00 0.00 C ATOM 948 CG LEU A 88 -4.491 3.868 3.790 1.00 0.00 C ATOM 949 CD1 LEU A 88 -3.264 3.247 3.134 1.00 0.00 C ATOM 950 CD2 LEU A 88 -5.531 4.237 2.742 1.00 0.00 C ATOM 0 H LEU A 88 -2.842 1.760 5.739 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.563 4.000 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.023 1.904 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.157 3.155 4.938 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.173 4.778 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.858 3.937 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.509 3.043 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.546 2.315 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.084 4.905 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.884 3.333 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.371 4.738 3.224 1.00 0.00 H new ATOM 962 N THR A 89 -6.134 2.500 7.915 1.00 0.00 N ATOM 963 CA THR A 89 -6.800 1.679 8.907 1.00 0.00 C ATOM 964 C THR A 89 -8.312 1.636 8.682 1.00 0.00 C ATOM 965 O THR A 89 -8.961 2.674 8.533 1.00 0.00 O ATOM 966 CB THR A 89 -6.500 2.195 10.326 1.00 0.00 C ATOM 967 OG1 THR A 89 -5.087 2.391 10.474 1.00 0.00 O ATOM 968 CG2 THR A 89 -6.990 1.212 11.379 1.00 0.00 C ATOM 0 H THR A 89 -6.474 3.460 7.858 1.00 0.00 H new ATOM 0 HA THR A 89 -6.412 0.666 8.802 1.00 0.00 H new ATOM 0 HB THR A 89 -7.024 3.140 10.468 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.895 2.721 11.377 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.766 1.601 12.372 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.067 1.076 11.277 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.489 0.253 11.243 1.00 0.00 H new ATOM 976 N GLY A 90 -8.848 0.417 8.677 1.00 0.00 N ATOM 977 CA GLY A 90 -10.278 0.202 8.505 1.00 0.00 C ATOM 978 C GLY A 90 -10.866 0.942 7.327 1.00 0.00 C ATOM 979 O GLY A 90 -11.920 1.569 7.449 1.00 0.00 O ATOM 0 H GLY A 90 -8.307 -0.440 8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.464 -0.865 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.795 0.513 9.413 1.00 0.00 H new ATOM 983 N GLN A 91 -10.197 0.867 6.189 1.00 0.00 N ATOM 984 CA GLN A 91 -10.617 1.611 5.014 1.00 0.00 C ATOM 985 C GLN A 91 -11.918 1.044 4.445 1.00 0.00 C ATOM 986 O GLN A 91 -11.986 -0.129 4.096 1.00 0.00 O ATOM 987 CB GLN A 91 -9.495 1.569 3.970 1.00 0.00 C ATOM 988 CG GLN A 91 -9.859 2.164 2.622 1.00 0.00 C ATOM 989 CD GLN A 91 -10.340 3.590 2.729 1.00 0.00 C ATOM 990 OE1 GLN A 91 -9.941 4.332 3.629 1.00 0.00 O ATOM 991 NE2 GLN A 91 -11.207 3.980 1.816 1.00 0.00 N ATOM 0 H GLN A 91 -9.361 0.299 6.054 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.811 2.647 5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.630 2.102 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.192 0.532 3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -8.990 2.126 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.636 1.556 2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.509 3.331 1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.576 4.931 1.836 1.00 0.00 H new ATOM 1000 N GLU A 92 -12.924 1.909 4.315 1.00 0.00 N ATOM 1001 CA GLU A 92 -14.253 1.519 3.839 1.00 0.00 C ATOM 1002 C GLU A 92 -14.759 0.241 4.520 1.00 0.00 C ATOM 1003 O GLU A 92 -14.949 0.203 5.737 1.00 0.00 O ATOM 1004 CB GLU A 92 -14.261 1.343 2.320 1.00 0.00 C ATOM 1005 CG GLU A 92 -14.148 2.644 1.548 1.00 0.00 C ATOM 1006 CD GLU A 92 -14.192 2.427 0.053 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -15.270 2.059 -0.462 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -13.154 2.607 -0.610 1.00 0.00 O ATOM 0 H GLU A 92 -12.841 2.901 4.537 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.932 2.329 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.435 0.691 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.182 0.838 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -14.960 3.310 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.216 3.142 1.814 1.00 0.00 H new ATOM 1015 N SER A 93 -14.968 -0.801 3.719 1.00 0.00 N ATOM 1016 CA SER A 93 -15.475 -2.077 4.207 1.00 0.00 C ATOM 1017 C SER A 93 -14.406 -2.851 4.967 1.00 0.00 C ATOM 1018 O SER A 93 -14.705 -3.805 5.683 1.00 0.00 O ATOM 1019 CB SER A 93 -15.949 -2.913 3.026 1.00 0.00 C ATOM 1020 OG SER A 93 -16.773 -2.152 2.157 1.00 0.00 O ATOM 0 H SER A 93 -14.790 -0.783 2.715 1.00 0.00 H new ATOM 0 HA SER A 93 -16.300 -1.874 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.088 -3.291 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.501 -3.780 3.389 1.00 0.00 H new ATOM 0 HG SER A 93 -17.697 -2.471 2.220 1.00 0.00 H new ATOM 1026 N LEU A 94 -13.163 -2.424 4.820 1.00 0.00 N ATOM 1027 CA LEU A 94 -12.018 -3.147 5.354 1.00 0.00 C ATOM 1028 C LEU A 94 -11.785 -2.769 6.811 1.00 0.00 C ATOM 1029 O LEU A 94 -10.653 -2.579 7.247 1.00 0.00 O ATOM 1030 CB LEU A 94 -10.772 -2.848 4.517 1.00 0.00 C ATOM 1031 CG LEU A 94 -10.927 -3.086 3.010 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -9.664 -2.664 2.278 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -11.254 -4.544 2.719 1.00 0.00 C ATOM 0 H LEU A 94 -12.918 -1.566 4.327 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.223 -4.216 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.487 -1.808 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.951 -3.464 4.884 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.758 -2.478 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.787 -2.838 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.478 -1.604 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.819 -3.246 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.359 -4.686 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.450 -5.179 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.188 -4.813 3.213 1.00 0.00 H new ATOM 1045 N ASN A 95 -12.875 -2.604 7.536 1.00 0.00 N ATOM 1046 CA ASN A 95 -12.825 -2.282 8.954 1.00 0.00 C ATOM 1047 C ASN A 95 -12.023 -3.338 9.717 1.00 0.00 C ATOM 1048 O ASN A 95 -12.180 -4.537 9.487 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.246 -2.184 9.512 1.00 0.00 C ATOM 1050 CG ASN A 95 -14.284 -1.611 10.914 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -14.358 -0.397 11.093 1.00 0.00 O ATOM 1052 ND2 ASN A 95 -14.243 -2.477 11.914 1.00 0.00 N ATOM 0 H ASN A 95 -13.820 -2.689 7.162 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.327 -1.321 9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -14.849 -1.560 8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.700 -3.175 9.516 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -14.273 -2.145 12.878 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -14.182 -3.477 11.721 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.165 -2.883 10.621 1.00 0.00 N ATOM 1060 CA GLY A 96 -10.282 -3.787 11.340 1.00 0.00 C ATOM 1061 C GLY A 96 -9.024 -4.121 10.558 1.00 0.00 C ATOM 1062 O GLY A 96 -8.030 -4.573 11.125 1.00 0.00 O ATOM 0 H GLY A 96 -11.063 -1.899 10.871 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.004 -3.336 12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.819 -4.708 11.568 1.00 0.00 H new ATOM 1066 N LEU A 97 -9.069 -3.898 9.255 1.00 0.00 N ATOM 1067 CA LEU A 97 -7.962 -4.225 8.376 1.00 0.00 C ATOM 1068 C LEU A 97 -6.988 -3.054 8.296 1.00 0.00 C ATOM 1069 O LEU A 97 -7.396 -1.894 8.219 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.522 -4.591 6.993 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.519 -5.038 5.924 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -8.220 -5.903 4.890 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -6.893 -3.841 5.234 1.00 0.00 C ATOM 0 H LEU A 97 -9.872 -3.486 8.779 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.409 -5.079 8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.252 -5.389 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.062 -3.726 6.608 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.732 -5.611 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.502 -6.218 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.643 -6.782 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.018 -5.331 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.185 -4.185 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.673 -3.248 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.371 -3.229 5.970 1.00 0.00 H new ATOM 1085 N SER A 98 -5.705 -3.363 8.336 1.00 0.00 N ATOM 1086 CA SER A 98 -4.673 -2.352 8.225 1.00 0.00 C ATOM 1087 C SER A 98 -3.861 -2.559 6.952 1.00 0.00 C ATOM 1088 O SER A 98 -3.345 -3.650 6.706 1.00 0.00 O ATOM 1089 CB SER A 98 -3.760 -2.405 9.450 1.00 0.00 C ATOM 1090 OG SER A 98 -4.514 -2.283 10.647 1.00 0.00 O ATOM 0 H SER A 98 -5.352 -4.314 8.445 1.00 0.00 H new ATOM 0 HA SER A 98 -5.145 -1.371 8.177 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.208 -3.345 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.024 -1.603 9.395 1.00 0.00 H new ATOM 0 HG SER A 98 -3.911 -2.321 11.419 1.00 0.00 H new ATOM 1096 N VAL A 99 -3.772 -1.520 6.137 1.00 0.00 N ATOM 1097 CA VAL A 99 -2.981 -1.571 4.917 1.00 0.00 C ATOM 1098 C VAL A 99 -1.667 -0.850 5.154 1.00 0.00 C ATOM 1099 O VAL A 99 -1.660 0.243 5.720 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.706 -0.899 3.728 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -2.924 -1.086 2.438 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -5.119 -1.432 3.573 1.00 0.00 C ATOM 0 H VAL A 99 -4.239 -0.628 6.299 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.818 -2.619 4.666 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.768 0.168 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.455 -0.604 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.936 -0.638 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.819 -2.150 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.603 -0.940 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.085 -2.507 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.685 -1.232 4.483 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.557 -1.446 4.752 1.00 0.00 N ATOM 1113 CA VAL A 100 0.736 -0.808 4.930 1.00 0.00 C ATOM 1114 C VAL A 100 1.431 -0.638 3.587 1.00 0.00 C ATOM 1115 O VAL A 100 1.909 -1.606 2.997 1.00 0.00 O ATOM 1116 CB VAL A 100 1.650 -1.604 5.885 1.00 0.00 C ATOM 1117 CG1 VAL A 100 2.964 -0.866 6.100 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.953 -1.854 7.215 1.00 0.00 C ATOM 0 H VAL A 100 -0.524 -2.362 4.304 1.00 0.00 H new ATOM 0 HA VAL A 100 0.552 0.169 5.377 1.00 0.00 H new ATOM 0 HB VAL A 100 1.866 -2.570 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.598 -1.440 6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.472 -0.742 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.764 0.114 6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.615 -2.417 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.704 -0.900 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.040 -2.424 7.046 1.00 0.00 H new ATOM 1128 N MET A 101 1.455 0.589 3.097 1.00 0.00 N ATOM 1129 CA MET A 101 2.118 0.908 1.840 1.00 0.00 C ATOM 1130 C MET A 101 3.576 1.268 2.111 1.00 0.00 C ATOM 1131 O MET A 101 3.859 2.307 2.704 1.00 0.00 O ATOM 1132 CB MET A 101 1.403 2.088 1.176 1.00 0.00 C ATOM 1133 CG MET A 101 1.867 2.390 -0.236 1.00 0.00 C ATOM 1134 SD MET A 101 1.189 1.251 -1.460 1.00 0.00 S ATOM 1135 CE MET A 101 -0.572 1.487 -1.220 1.00 0.00 C ATOM 0 H MET A 101 1.019 1.390 3.554 1.00 0.00 H new ATOM 0 HA MET A 101 2.082 0.045 1.175 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.332 1.884 1.157 1.00 0.00 H new ATOM 0 HB3 MET A 101 1.548 2.977 1.790 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.579 3.408 -0.497 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.956 2.347 -0.272 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.078 1.455 -2.185 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.961 0.696 -0.579 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.749 2.454 -0.750 1.00 0.00 H new ATOM 1145 N THR A 102 4.493 0.408 1.692 1.00 0.00 N ATOM 1146 CA THR A 102 5.908 0.607 1.977 1.00 0.00 C ATOM 1147 C THR A 102 6.717 0.819 0.690 1.00 0.00 C ATOM 1148 O THR A 102 6.936 -0.118 -0.072 1.00 0.00 O ATOM 1149 CB THR A 102 6.477 -0.601 2.743 1.00 0.00 C ATOM 1150 OG1 THR A 102 5.566 -0.980 3.788 1.00 0.00 O ATOM 1151 CG2 THR A 102 7.836 -0.273 3.345 1.00 0.00 C ATOM 0 H THR A 102 4.284 -0.433 1.154 1.00 0.00 H new ATOM 0 HA THR A 102 5.993 1.503 2.591 1.00 0.00 H new ATOM 0 HB THR A 102 6.601 -1.427 2.042 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.928 -1.750 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.216 -1.143 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.531 -0.004 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.735 0.564 4.036 1.00 0.00 H new ATOM 1159 N PRO A 103 7.153 2.060 0.432 1.00 0.00 N ATOM 1160 CA PRO A 103 7.978 2.393 -0.740 1.00 0.00 C ATOM 1161 C PRO A 103 9.345 1.709 -0.704 1.00 0.00 C ATOM 1162 O PRO A 103 9.968 1.600 0.357 1.00 0.00 O ATOM 1163 CB PRO A 103 8.150 3.916 -0.652 1.00 0.00 C ATOM 1164 CG PRO A 103 7.100 4.379 0.304 1.00 0.00 C ATOM 1165 CD PRO A 103 6.868 3.241 1.254 1.00 0.00 C ATOM 0 HA PRO A 103 7.509 2.057 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.147 4.179 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 103 8.025 4.383 -1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.426 5.272 0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.182 4.640 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 103 7.527 3.298 2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.845 3.233 1.631 1.00 0.00 H new ATOM 1173 N GLY A 104 9.803 1.242 -1.862 1.00 0.00 N ATOM 1174 CA GLY A 104 11.100 0.600 -1.945 1.00 0.00 C ATOM 1175 C GLY A 104 12.151 1.500 -2.563 1.00 0.00 C ATOM 1176 O GLY A 104 11.828 2.540 -3.140 1.00 0.00 O ATOM 0 H GLY A 104 9.296 1.298 -2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.421 0.304 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.014 -0.312 -2.535 1.00 0.00 H new ATOM 1291 N GLY A 113 8.689 1.478 -6.678 1.00 0.00 N ATOM 1292 CA GLY A 113 7.517 0.688 -6.392 1.00 0.00 C ATOM 1293 C GLY A 113 7.127 0.755 -4.934 1.00 0.00 C ATOM 1294 O GLY A 113 7.950 1.083 -4.073 1.00 0.00 O ATOM 0 HA2 GLY A 113 6.686 1.038 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.703 -0.349 -6.669 1.00 0.00 H new ATOM 1298 N TRP A 114 5.871 0.460 -4.659 1.00 0.00 N ATOM 1299 CA TRP A 114 5.362 0.458 -3.305 1.00 0.00 C ATOM 1300 C TRP A 114 4.913 -0.943 -2.922 1.00 0.00 C ATOM 1301 O TRP A 114 4.146 -1.575 -3.649 1.00 0.00 O ATOM 1302 CB TRP A 114 4.194 1.440 -3.170 1.00 0.00 C ATOM 1303 CG TRP A 114 4.609 2.884 -3.150 1.00 0.00 C ATOM 1304 CD1 TRP A 114 4.713 3.681 -2.050 1.00 0.00 C ATOM 1305 CD2 TRP A 114 4.966 3.704 -4.271 1.00 0.00 C ATOM 1306 NE1 TRP A 114 5.118 4.942 -2.412 1.00 0.00 N ATOM 1307 CE2 TRP A 114 5.280 4.981 -3.771 1.00 0.00 C ATOM 1308 CE3 TRP A 114 5.053 3.485 -5.649 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 5.675 6.030 -4.595 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 5.445 4.528 -6.466 1.00 0.00 C ATOM 1311 CH2 TRP A 114 5.753 5.787 -5.938 1.00 0.00 C ATOM 0 H TRP A 114 5.178 0.216 -5.367 1.00 0.00 H new ATOM 0 HA TRP A 114 6.159 0.773 -2.632 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.503 1.283 -3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 114 3.649 1.216 -2.253 1.00 0.00 H new ATOM 0 HD1 TRP A 114 4.506 3.366 -1.038 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.273 5.722 -1.773 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.818 2.518 -6.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 5.912 7.002 -4.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.515 4.369 -7.532 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.058 6.581 -6.604 1.00 0.00 H new ATOM 1322 N ALA A 115 5.389 -1.423 -1.785 1.00 0.00 N ATOM 1323 CA ALA A 115 5.022 -2.741 -1.306 1.00 0.00 C ATOM 1324 C ALA A 115 3.755 -2.644 -0.482 1.00 0.00 C ATOM 1325 O ALA A 115 3.671 -1.867 0.471 1.00 0.00 O ATOM 1326 CB ALA A 115 6.152 -3.350 -0.490 1.00 0.00 C ATOM 0 H ALA A 115 6.032 -0.916 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 115 4.840 -3.393 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.856 -4.339 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.044 -3.437 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.367 -2.711 0.367 1.00 0.00 H new ATOM 1332 N ARG A 116 2.768 -3.419 -0.870 1.00 0.00 N ATOM 1333 CA ARG A 116 1.451 -3.336 -0.272 1.00 0.00 C ATOM 1334 C ARG A 116 1.166 -4.564 0.581 1.00 0.00 C ATOM 1335 O ARG A 116 1.547 -5.679 0.226 1.00 0.00 O ATOM 1336 CB ARG A 116 0.406 -3.193 -1.373 1.00 0.00 C ATOM 1337 CG ARG A 116 0.627 -1.984 -2.268 1.00 0.00 C ATOM 1338 CD ARG A 116 -0.092 -2.134 -3.598 1.00 0.00 C ATOM 1339 NE ARG A 116 0.394 -3.291 -4.347 1.00 0.00 N ATOM 1340 CZ ARG A 116 0.067 -3.573 -5.607 1.00 0.00 C ATOM 1341 NH1 ARG A 116 -0.810 -2.823 -6.261 1.00 0.00 N ATOM 1342 NH2 ARG A 116 0.613 -4.623 -6.205 1.00 0.00 N ATOM 0 H ARG A 116 2.852 -4.122 -1.605 1.00 0.00 H new ATOM 0 HA ARG A 116 1.410 -2.463 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.411 -4.094 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.582 -3.122 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.273 -1.086 -1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.694 -1.851 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -1.163 -2.237 -3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 116 0.049 -1.231 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 116 1.030 -3.929 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -1.241 -2.022 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.054 -3.047 -7.226 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.278 -5.208 -5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.367 -4.845 -7.170 1.00 0.00 H new ATOM 1356 N ASN A 117 0.518 -4.346 1.716 1.00 0.00 N ATOM 1357 CA ASN A 117 0.189 -5.430 2.633 1.00 0.00 C ATOM 1358 C ASN A 117 -1.162 -5.172 3.280 1.00 0.00 C ATOM 1359 O ASN A 117 -1.410 -4.076 3.787 1.00 0.00 O ATOM 1360 CB ASN A 117 1.261 -5.549 3.723 1.00 0.00 C ATOM 1361 CG ASN A 117 1.023 -6.716 4.671 1.00 0.00 C ATOM 1362 OD1 ASN A 117 0.529 -7.833 4.150 1.00 0.00 O flip ATOM 1363 ND2 ASN A 117 1.308 -6.623 5.865 1.00 0.00 N flip ATOM 0 H ASN A 117 0.208 -3.425 2.026 1.00 0.00 H new ATOM 0 HA ASN A 117 0.149 -6.361 2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.237 -5.664 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.291 -4.623 4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.686 -5.750 6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.166 -7.419 6.487 1.00 0.00 H new ATOM 1370 N CYS A 118 -2.031 -6.169 3.252 1.00 0.00 N ATOM 1371 CA CYS A 118 -3.324 -6.066 3.907 1.00 0.00 C ATOM 1372 C CYS A 118 -3.356 -6.959 5.139 1.00 0.00 C ATOM 1373 O CYS A 118 -3.274 -8.181 5.029 1.00 0.00 O ATOM 1374 CB CYS A 118 -4.442 -6.474 2.945 1.00 0.00 C ATOM 1375 SG CYS A 118 -4.537 -5.449 1.444 1.00 0.00 S ATOM 0 H CYS A 118 -1.864 -7.059 2.783 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.479 -5.030 4.209 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -4.295 -7.514 2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.396 -6.421 3.470 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.475 -6.355 6.310 1.00 0.00 N ATOM 1381 CA ASN A 119 -3.496 -7.114 7.550 1.00 0.00 C ATOM 1382 C ASN A 119 -4.875 -7.067 8.191 1.00 0.00 C ATOM 1383 O ASN A 119 -5.281 -6.047 8.750 1.00 0.00 O ATOM 1384 CB ASN A 119 -2.448 -6.572 8.527 1.00 0.00 C ATOM 1385 CG ASN A 119 -2.416 -7.345 9.832 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -2.719 -8.537 9.871 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -2.046 -6.675 10.912 1.00 0.00 N ATOM 0 H ASN A 119 -3.558 -5.345 6.428 1.00 0.00 H new ATOM 0 HA ASN A 119 -3.258 -8.151 7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -1.464 -6.614 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.658 -5.523 8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.005 -7.147 11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.802 -5.687 10.841 1.00 0.00 H new ATOM 1394 N ILE A 120 -5.595 -8.169 8.081 1.00 0.00 N ATOM 1395 CA ILE A 120 -6.891 -8.319 8.719 1.00 0.00 C ATOM 1396 C ILE A 120 -6.977 -9.700 9.375 1.00 0.00 C ATOM 1397 O ILE A 120 -7.132 -10.717 8.699 1.00 0.00 O ATOM 1398 CB ILE A 120 -8.040 -8.101 7.707 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -9.408 -8.375 8.337 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -7.839 -8.958 6.467 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -9.790 -7.418 9.447 1.00 0.00 C ATOM 0 H ILE A 120 -5.298 -8.986 7.547 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.999 -7.557 9.490 1.00 0.00 H new ATOM 0 HB ILE A 120 -8.018 -7.053 7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -10.169 -8.330 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -9.416 -9.391 8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.659 -8.788 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -6.896 -8.692 5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.817 -10.010 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -10.773 -7.685 9.836 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -9.054 -7.478 10.249 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -9.819 -6.401 9.057 1.00 0.00 H new ATOM 1413 N GLN A 121 -6.857 -9.738 10.691 1.00 0.00 N ATOM 1414 CA GLN A 121 -6.696 -10.998 11.407 1.00 0.00 C ATOM 1415 C GLN A 121 -7.990 -11.808 11.490 1.00 0.00 C ATOM 1416 O GLN A 121 -7.964 -13.030 11.378 1.00 0.00 O ATOM 1417 CB GLN A 121 -6.148 -10.736 12.808 1.00 0.00 C ATOM 1418 CG GLN A 121 -4.742 -10.156 12.806 1.00 0.00 C ATOM 1419 CD GLN A 121 -3.716 -11.122 12.252 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -3.127 -11.909 12.992 1.00 0.00 O ATOM 1421 NE2 GLN A 121 -3.488 -11.066 10.949 1.00 0.00 N ATOM 0 H GLN A 121 -6.868 -8.911 11.289 1.00 0.00 H new ATOM 0 HA GLN A 121 -5.987 -11.598 10.837 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -6.816 -10.050 13.329 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.148 -11.669 13.371 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.731 -9.241 12.214 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -4.465 -9.881 13.824 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -3.998 -10.399 10.370 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -2.802 -11.690 10.524 1.00 0.00 H new ATOM 1430 N SER A 122 -9.119 -11.137 11.676 1.00 0.00 N ATOM 1431 CA SER A 122 -10.371 -11.835 11.961 1.00 0.00 C ATOM 1432 C SER A 122 -11.221 -12.074 10.713 1.00 0.00 C ATOM 1433 O SER A 122 -12.217 -12.793 10.771 1.00 0.00 O ATOM 1434 CB SER A 122 -11.181 -11.026 12.976 1.00 0.00 C ATOM 1435 OG SER A 122 -11.404 -9.707 12.498 1.00 0.00 O ATOM 0 H SER A 122 -9.197 -10.121 11.636 1.00 0.00 H new ATOM 0 HA SER A 122 -10.108 -12.814 12.362 1.00 0.00 H new ATOM 0 HB2 SER A 122 -12.136 -11.518 13.163 1.00 0.00 H new ATOM 0 HB3 SER A 122 -10.650 -10.989 13.927 1.00 0.00 H new ATOM 0 HG SER A 122 -12.220 -9.689 11.956 1.00 0.00 H new ATOM 1441 N ASP A 123 -10.838 -11.487 9.590 1.00 0.00 N ATOM 1442 CA ASP A 123 -11.700 -11.500 8.408 1.00 0.00 C ATOM 1443 C ASP A 123 -10.901 -11.719 7.129 1.00 0.00 C ATOM 1444 O ASP A 123 -10.487 -10.760 6.475 1.00 0.00 O ATOM 1445 CB ASP A 123 -12.489 -10.189 8.298 1.00 0.00 C ATOM 1446 CG ASP A 123 -13.555 -10.038 9.365 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -14.742 -10.290 9.065 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -13.215 -9.664 10.509 1.00 0.00 O ATOM 0 H ASP A 123 -9.950 -11.001 9.467 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.393 -12.333 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.797 -9.350 8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -12.958 -10.137 7.316 1.00 0.00 H new ATOM 1453 N SER A 124 -10.701 -12.977 6.763 1.00 0.00 N ATOM 1454 CA SER A 124 -10.006 -13.314 5.524 1.00 0.00 C ATOM 1455 C SER A 124 -10.745 -12.756 4.305 1.00 0.00 C ATOM 1456 O SER A 124 -10.132 -12.478 3.272 1.00 0.00 O ATOM 1457 CB SER A 124 -9.854 -14.830 5.403 1.00 0.00 C ATOM 1458 OG SER A 124 -9.171 -15.360 6.527 1.00 0.00 O ATOM 0 H SER A 124 -11.010 -13.784 7.306 1.00 0.00 H new ATOM 0 HA SER A 124 -9.017 -12.857 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.837 -15.293 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.307 -15.073 4.492 1.00 0.00 H new ATOM 0 HG SER A 124 -9.086 -16.331 6.430 1.00 0.00 H new ATOM 1464 N ALA A 125 -12.056 -12.577 4.434 1.00 0.00 N ATOM 1465 CA ALA A 125 -12.876 -12.061 3.345 1.00 0.00 C ATOM 1466 C ALA A 125 -12.453 -10.651 2.956 1.00 0.00 C ATOM 1467 O ALA A 125 -12.379 -10.319 1.771 1.00 0.00 O ATOM 1468 CB ALA A 125 -14.346 -12.080 3.732 1.00 0.00 C ATOM 0 H ALA A 125 -12.575 -12.783 5.288 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.729 -12.709 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.944 -11.692 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -14.651 -13.103 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -14.498 -11.459 4.615 1.00 0.00 H new ATOM 1474 N LEU A 126 -12.166 -9.825 3.953 1.00 0.00 N ATOM 1475 CA LEU A 126 -11.734 -8.458 3.704 1.00 0.00 C ATOM 1476 C LEU A 126 -10.362 -8.462 3.052 1.00 0.00 C ATOM 1477 O LEU A 126 -10.050 -7.610 2.220 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.704 -7.653 5.003 1.00 0.00 C ATOM 1479 CG LEU A 126 -13.052 -7.522 5.718 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -12.906 -6.685 6.978 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -14.097 -6.914 4.792 1.00 0.00 C ATOM 0 H LEU A 126 -12.225 -10.078 4.939 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.447 -7.985 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.993 -8.119 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.328 -6.654 4.784 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.387 -8.520 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.873 -6.602 7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.193 -7.162 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.547 -5.690 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -15.047 -6.830 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.770 -5.924 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -14.224 -7.552 3.917 1.00 0.00 H new ATOM 1493 N GLN A 127 -9.550 -9.444 3.422 1.00 0.00 N ATOM 1494 CA GLN A 127 -8.248 -9.627 2.805 1.00 0.00 C ATOM 1495 C GLN A 127 -8.405 -9.953 1.330 1.00 0.00 C ATOM 1496 O GLN A 127 -7.657 -9.461 0.501 1.00 0.00 O ATOM 1497 CB GLN A 127 -7.467 -10.740 3.502 1.00 0.00 C ATOM 1498 CG GLN A 127 -6.214 -11.167 2.751 1.00 0.00 C ATOM 1499 CD GLN A 127 -5.416 -12.202 3.513 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -5.968 -12.975 4.296 1.00 0.00 O ATOM 1501 NE2 GLN A 127 -4.115 -12.241 3.279 1.00 0.00 N ATOM 0 H GLN A 127 -9.773 -10.125 4.148 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.691 -8.696 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.186 -10.405 4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -8.118 -11.605 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -6.495 -11.571 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.589 -10.294 2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -3.695 -11.583 2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.532 -12.929 3.755 1.00 0.00 H new ATOM 1510 N GLN A 128 -9.398 -10.766 1.007 1.00 0.00 N ATOM 1511 CA GLN A 128 -9.628 -11.168 -0.373 1.00 0.00 C ATOM 1512 C GLN A 128 -9.891 -9.954 -1.256 1.00 0.00 C ATOM 1513 O GLN A 128 -9.441 -9.893 -2.400 1.00 0.00 O ATOM 1514 CB GLN A 128 -10.798 -12.145 -0.463 1.00 0.00 C ATOM 1515 CG GLN A 128 -10.573 -13.444 0.293 1.00 0.00 C ATOM 1516 CD GLN A 128 -9.205 -14.048 0.032 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -9.015 -14.794 -0.927 1.00 0.00 O ATOM 1518 NE2 GLN A 128 -8.249 -13.753 0.901 1.00 0.00 N ATOM 0 H GLN A 128 -10.057 -11.160 1.679 1.00 0.00 H new ATOM 0 HA GLN A 128 -8.727 -11.667 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -11.694 -11.661 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -10.988 -12.374 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -10.686 -13.261 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -11.342 -14.162 0.009 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.446 -13.130 1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -7.316 -14.149 0.787 1.00 0.00 H new ATOM 1527 N ALA A 129 -10.617 -8.989 -0.715 1.00 0.00 N ATOM 1528 CA ALA A 129 -10.892 -7.756 -1.430 1.00 0.00 C ATOM 1529 C ALA A 129 -9.661 -6.858 -1.460 1.00 0.00 C ATOM 1530 O ALA A 129 -9.271 -6.356 -2.512 1.00 0.00 O ATOM 1531 CB ALA A 129 -12.062 -7.028 -0.790 1.00 0.00 C ATOM 0 H ALA A 129 -11.026 -9.037 0.218 1.00 0.00 H new ATOM 0 HA ALA A 129 -11.153 -8.008 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -12.258 -6.105 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.947 -7.663 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.821 -6.793 0.247 1.00 0.00 H new ATOM 1537 N CYS A 130 -9.046 -6.679 -0.299 1.00 0.00 N ATOM 1538 CA CYS A 130 -7.913 -5.772 -0.155 1.00 0.00 C ATOM 1539 C CYS A 130 -6.690 -6.290 -0.896 1.00 0.00 C ATOM 1540 O CYS A 130 -6.116 -5.592 -1.721 1.00 0.00 O ATOM 1541 CB CYS A 130 -7.582 -5.585 1.328 1.00 0.00 C ATOM 1542 SG CYS A 130 -6.252 -4.383 1.666 1.00 0.00 S ATOM 0 H CYS A 130 -9.314 -7.153 0.563 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.191 -4.813 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -8.484 -5.265 1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -7.296 -6.550 1.747 1.00 0.00 H new ATOM 1547 N GLU A 131 -6.327 -7.532 -0.617 1.00 0.00 N ATOM 1548 CA GLU A 131 -5.116 -8.134 -1.151 1.00 0.00 C ATOM 1549 C GLU A 131 -5.191 -8.261 -2.667 1.00 0.00 C ATOM 1550 O GLU A 131 -4.178 -8.404 -3.332 1.00 0.00 O ATOM 1551 CB GLU A 131 -4.861 -9.495 -0.506 1.00 0.00 C ATOM 1552 CG GLU A 131 -3.462 -10.031 -0.754 1.00 0.00 C ATOM 1553 CD GLU A 131 -3.181 -11.286 0.035 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -2.742 -11.172 1.196 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -3.400 -12.391 -0.501 1.00 0.00 O ATOM 0 H GLU A 131 -6.865 -8.152 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 131 -4.279 -7.478 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -5.026 -9.415 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -5.589 -10.211 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -3.338 -10.237 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -2.731 -9.267 -0.490 1.00 0.00 H new ATOM 1562 N ASP A 132 -6.396 -8.279 -3.210 1.00 0.00 N ATOM 1563 CA ASP A 132 -6.558 -8.307 -4.659 1.00 0.00 C ATOM 1564 C ASP A 132 -5.918 -7.063 -5.276 1.00 0.00 C ATOM 1565 O ASP A 132 -5.132 -7.150 -6.221 1.00 0.00 O ATOM 1566 CB ASP A 132 -8.042 -8.365 -5.033 1.00 0.00 C ATOM 1567 CG ASP A 132 -8.264 -8.737 -6.486 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -8.103 -7.871 -7.370 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -8.622 -9.905 -6.743 1.00 0.00 O ATOM 0 H ASP A 132 -7.268 -8.275 -2.681 1.00 0.00 H new ATOM 0 HA ASP A 132 -6.065 -9.199 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.545 -9.091 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -8.501 -7.396 -4.836 1.00 0.00 H new ATOM 1574 N VAL A 133 -6.253 -5.906 -4.716 1.00 0.00 N ATOM 1575 CA VAL A 133 -5.720 -4.632 -5.186 1.00 0.00 C ATOM 1576 C VAL A 133 -4.349 -4.336 -4.572 1.00 0.00 C ATOM 1577 O VAL A 133 -3.394 -3.989 -5.266 1.00 0.00 O ATOM 1578 CB VAL A 133 -6.687 -3.484 -4.844 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -6.131 -2.147 -5.308 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -8.052 -3.742 -5.458 1.00 0.00 C ATOM 0 H VAL A 133 -6.897 -5.824 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.608 -4.707 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.798 -3.442 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.833 -1.353 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.177 -1.959 -4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.983 -2.169 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.725 -2.922 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.956 -3.814 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.457 -4.675 -5.067 1.00 0.00 H new ATOM 1590 N PHE A 134 -4.275 -4.495 -3.261 1.00 0.00 N ATOM 1591 CA PHE A 134 -3.099 -4.156 -2.472 1.00 0.00 C ATOM 1592 C PHE A 134 -2.155 -5.344 -2.343 1.00 0.00 C ATOM 1593 O PHE A 134 -1.425 -5.473 -1.362 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.495 -3.604 -1.102 1.00 0.00 C ATOM 1595 CG PHE A 134 -4.213 -2.283 -1.186 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -3.504 -1.108 -1.385 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -5.595 -2.216 -1.079 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -4.157 0.107 -1.475 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -6.252 -1.002 -1.165 1.00 0.00 C ATOM 1600 CZ PHE A 134 -5.533 0.160 -1.365 1.00 0.00 C ATOM 0 H PHE A 134 -5.043 -4.870 -2.704 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.560 -3.370 -3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.134 -4.327 -0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.600 -3.487 -0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -2.428 -1.143 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -6.164 -3.122 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -3.592 1.014 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -7.328 -0.963 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 134 -6.045 1.108 -1.435 1.00 0.00 H new ATOM 1610 N ARG A 135 -2.246 -6.245 -3.308 1.00 0.00 N ATOM 1611 CA ARG A 135 -1.434 -7.456 -3.338 1.00 0.00 C ATOM 1612 C ARG A 135 0.053 -7.154 -3.168 1.00 0.00 C ATOM 1613 O ARG A 135 0.560 -6.135 -3.641 1.00 0.00 O ATOM 1614 CB ARG A 135 -1.660 -8.187 -4.668 1.00 0.00 C ATOM 1615 CG ARG A 135 -1.465 -7.306 -5.892 1.00 0.00 C ATOM 1616 CD ARG A 135 -1.731 -8.061 -7.186 1.00 0.00 C ATOM 1617 NE ARG A 135 -1.603 -7.190 -8.353 1.00 0.00 N ATOM 1618 CZ ARG A 135 -1.382 -7.622 -9.592 1.00 0.00 C ATOM 1619 NH1 ARG A 135 -1.266 -8.922 -9.837 1.00 0.00 N ATOM 1620 NH2 ARG A 135 -1.275 -6.751 -10.589 1.00 0.00 N ATOM 0 H ARG A 135 -2.887 -6.159 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 135 -1.741 -8.084 -2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -0.976 -9.033 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.671 -8.593 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -2.132 -6.446 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.446 -6.919 -5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.031 -8.892 -7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.733 -8.489 -7.159 1.00 0.00 H new ATOM 0 HE ARG A 135 -1.689 -6.184 -8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -1.346 -9.594 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -1.097 -9.249 -10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -1.362 -5.752 -10.405 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -1.106 -7.082 -11.539 1.00 0.00 H new