USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 221 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 33 HIS : no HD1:sc= 0 X(o=-0.04,f=-0.04) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0507 K(o=-0.051,f=-0.59) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLY A 2 -8.753 -0.243 1.947 1.00 0.00 N ATOM 17 CA GLY A 2 -7.306 -0.505 2.018 1.00 0.00 C ATOM 18 C GLY A 2 -6.903 -1.170 3.342 1.00 0.00 C ATOM 19 O GLY A 2 -7.684 -1.933 3.917 1.00 0.00 O ATOM 0 HA2 GLY A 2 -7.013 -1.147 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.762 0.433 1.904 1.00 0.00 H new ATOM 23 N ILE A 3 -5.691 -0.882 3.831 1.00 0.00 N ATOM 24 CA ILE A 3 -5.119 -1.440 5.076 1.00 0.00 C ATOM 25 C ILE A 3 -4.635 -0.325 6.028 1.00 0.00 C ATOM 26 O ILE A 3 -4.718 0.860 5.699 1.00 0.00 O ATOM 27 CB ILE A 3 -4.016 -2.486 4.758 1.00 0.00 C ATOM 28 CG1 ILE A 3 -2.744 -1.846 4.156 1.00 0.00 C ATOM 29 CG2 ILE A 3 -4.579 -3.610 3.864 1.00 0.00 C ATOM 30 CD1 ILE A 3 -1.653 -2.866 3.802 1.00 0.00 C ATOM 0 H ILE A 3 -5.057 -0.235 3.362 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.909 -1.968 5.609 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.704 -2.930 5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.016 -1.291 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.339 -1.125 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.792 -4.334 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.401 -4.108 4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.942 -3.184 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.790 -2.346 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.353 -3.404 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.040 -3.573 3.068 1.00 0.00 H new ATOM 41 N ASN A 4 -4.125 -0.690 7.212 1.00 0.00 N ATOM 42 CA ASN A 4 -3.654 0.245 8.243 1.00 0.00 C ATOM 43 C ASN A 4 -2.224 -0.112 8.696 1.00 0.00 C ATOM 44 O ASN A 4 -2.018 -0.786 9.707 1.00 0.00 O ATOM 45 CB ASN A 4 -4.679 0.306 9.391 1.00 0.00 C ATOM 46 CG ASN A 4 -4.362 1.435 10.360 1.00 0.00 C ATOM 47 OD1 ASN A 4 -4.517 2.608 10.052 1.00 0.00 O ATOM 48 ND2 ASN A 4 -3.896 1.131 11.551 1.00 0.00 N ATOM 0 H ASN A 4 -4.026 -1.667 7.486 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.583 1.252 7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.679 0.447 8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.685 -0.644 9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.666 1.872 12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.765 0.154 11.813 1.00 0.00 H new ATOM 54 N VAL A 5 -1.239 0.314 7.899 1.00 0.00 N ATOM 55 CA VAL A 5 0.203 0.038 8.070 1.00 0.00 C ATOM 56 C VAL A 5 0.990 1.320 7.768 1.00 0.00 C ATOM 57 O VAL A 5 0.585 2.091 6.899 1.00 0.00 O ATOM 58 CB VAL A 5 0.666 -1.099 7.124 1.00 0.00 C ATOM 59 CG1 VAL A 5 2.078 -1.590 7.470 1.00 0.00 C ATOM 60 CG2 VAL A 5 -0.250 -2.330 7.158 1.00 0.00 C ATOM 0 H VAL A 5 -1.427 0.888 7.077 1.00 0.00 H new ATOM 0 HA VAL A 5 0.385 -0.283 9.096 1.00 0.00 H new ATOM 0 HB VAL A 5 0.637 -0.650 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.365 -2.387 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.783 -0.763 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.091 -1.969 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.132 -3.087 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.277 -2.736 8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.257 -2.043 6.856 1.00 0.00 H new ATOM 70 N LYS A 6 2.104 1.576 8.463 1.00 0.00 N ATOM 71 CA LYS A 6 2.969 2.750 8.218 1.00 0.00 C ATOM 72 C LYS A 6 3.859 2.569 6.973 1.00 0.00 C ATOM 73 O LYS A 6 4.058 1.446 6.503 1.00 0.00 O ATOM 74 CB LYS A 6 3.778 3.057 9.500 1.00 0.00 C ATOM 75 CG LYS A 6 3.718 4.551 9.860 1.00 0.00 C ATOM 76 CD LYS A 6 4.124 4.882 11.308 1.00 0.00 C ATOM 77 CE LYS A 6 5.595 4.603 11.659 1.00 0.00 C ATOM 78 NZ LYS A 6 5.805 3.247 12.235 1.00 0.00 N ATOM 0 H LYS A 6 2.438 0.975 9.217 1.00 0.00 H new ATOM 0 HA LYS A 6 2.344 3.614 7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.387 2.466 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.816 2.758 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.369 5.101 9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.703 4.911 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.917 5.936 11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.491 4.309 11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.204 4.709 10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.942 5.352 12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.813 3.114 12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.247 3.150 13.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.501 2.527 11.548 1.00 0.00 H new ATOM 88 N CYS A 7 4.405 3.663 6.442 1.00 0.00 N ATOM 89 CA CYS A 7 5.276 3.673 5.254 1.00 0.00 C ATOM 90 C CYS A 7 6.327 4.800 5.299 1.00 0.00 C ATOM 91 O CYS A 7 6.170 5.786 6.025 1.00 0.00 O ATOM 92 CB CYS A 7 4.403 3.752 3.985 1.00 0.00 C ATOM 93 SG CYS A 7 3.116 5.035 3.963 1.00 0.00 S ATOM 0 H CYS A 7 4.253 4.593 6.832 1.00 0.00 H new ATOM 0 HA CYS A 7 5.846 2.744 5.239 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.059 3.912 3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.922 2.784 3.841 1.00 0.00 H new ATOM 97 N LYS A 8 7.405 4.643 4.511 1.00 0.00 N ATOM 98 CA LYS A 8 8.606 5.512 4.526 1.00 0.00 C ATOM 99 C LYS A 8 8.933 6.154 3.163 1.00 0.00 C ATOM 100 O LYS A 8 9.659 7.147 3.125 1.00 0.00 O ATOM 101 CB LYS A 8 9.778 4.681 5.090 1.00 0.00 C ATOM 102 CG LYS A 8 10.951 5.501 5.661 1.00 0.00 C ATOM 103 CD LYS A 8 11.963 4.593 6.386 1.00 0.00 C ATOM 104 CE LYS A 8 11.448 4.142 7.765 1.00 0.00 C ATOM 105 NZ LYS A 8 12.117 2.900 8.236 1.00 0.00 N ATOM 0 H LYS A 8 7.472 3.890 3.826 1.00 0.00 H new ATOM 0 HA LYS A 8 8.410 6.371 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.395 4.030 5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.159 4.036 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.451 6.036 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.571 6.252 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.169 3.717 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.906 5.126 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.612 4.939 8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.372 3.976 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.739 2.634 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.939 2.132 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.141 3.065 8.312 1.00 0.00 H new ATOM 115 N HIS A 9 8.357 5.640 2.069 1.00 0.00 N ATOM 116 CA HIS A 9 8.427 6.226 0.719 1.00 0.00 C ATOM 117 C HIS A 9 7.145 5.957 -0.092 1.00 0.00 C ATOM 118 O HIS A 9 6.305 6.847 -0.210 1.00 0.00 O ATOM 119 CB HIS A 9 9.674 5.706 -0.028 1.00 0.00 C ATOM 120 CG HIS A 9 10.933 6.473 0.282 1.00 0.00 C ATOM 121 ND1 HIS A 9 11.154 7.805 0.008 1.00 0.00 N ATOM 122 CD2 HIS A 9 12.080 5.980 0.843 1.00 0.00 C ATOM 123 CE1 HIS A 9 12.398 8.115 0.407 1.00 0.00 C ATOM 124 NE2 HIS A 9 13.009 7.030 0.920 1.00 0.00 N ATOM 0 H HIS A 9 7.812 4.778 2.097 1.00 0.00 H new ATOM 0 HA HIS A 9 8.512 7.307 0.831 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.827 4.657 0.226 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.488 5.750 -1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.242 4.963 1.169 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.845 9.095 0.328 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.958 6.981 1.291 1.00 0.00 H new ATOM 132 N SER A 10 6.980 4.736 -0.623 1.00 0.00 N ATOM 133 CA SER A 10 5.838 4.304 -1.459 1.00 0.00 C ATOM 134 C SER A 10 5.945 2.833 -1.868 1.00 0.00 C ATOM 135 O SER A 10 5.043 2.048 -1.580 1.00 0.00 O ATOM 136 CB SER A 10 5.707 5.164 -2.731 1.00 0.00 C ATOM 137 OG SER A 10 6.940 5.233 -3.431 1.00 0.00 O ATOM 0 H SER A 10 7.661 3.991 -0.479 1.00 0.00 H new ATOM 0 HA SER A 10 4.950 4.434 -0.840 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.940 4.743 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.381 6.169 -2.462 1.00 0.00 H new ATOM 0 HG SER A 10 6.830 5.783 -4.235 1.00 0.00 H new ATOM 142 N ARG A 11 7.080 2.424 -2.453 1.00 0.00 N ATOM 143 CA ARG A 11 7.364 1.034 -2.864 1.00 0.00 C ATOM 144 C ARG A 11 7.287 0.035 -1.700 1.00 0.00 C ATOM 145 O ARG A 11 6.883 -1.108 -1.890 1.00 0.00 O ATOM 146 CB ARG A 11 8.736 0.997 -3.567 1.00 0.00 C ATOM 147 CG ARG A 11 8.932 -0.266 -4.420 1.00 0.00 C ATOM 148 CD ARG A 11 10.356 -0.334 -4.987 1.00 0.00 C ATOM 149 NE ARG A 11 10.595 -1.624 -5.666 1.00 0.00 N ATOM 150 CZ ARG A 11 11.765 -2.195 -5.894 1.00 0.00 C ATOM 151 NH1 ARG A 11 12.894 -1.598 -5.628 1.00 0.00 N ATOM 152 NH2 ARG A 11 11.825 -3.396 -6.395 1.00 0.00 N ATOM 0 H ARG A 11 7.847 3.063 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 11 6.588 0.714 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.839 1.878 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.525 1.050 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.735 -1.151 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.211 -0.272 -5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.511 0.485 -5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.079 -0.204 -4.181 1.00 0.00 H new ATOM 0 HE ARG A 11 9.770 -2.127 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.893 -0.659 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.778 -2.071 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.966 -3.901 -6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.731 -3.831 -6.569 1.00 0.00 H new ATOM 163 N GLN A 12 7.592 0.482 -0.478 1.00 0.00 N ATOM 164 CA GLN A 12 7.476 -0.333 0.742 1.00 0.00 C ATOM 165 C GLN A 12 6.021 -0.699 1.103 1.00 0.00 C ATOM 166 O GLN A 12 5.808 -1.660 1.839 1.00 0.00 O ATOM 167 CB GLN A 12 8.150 0.351 1.949 1.00 0.00 C ATOM 168 CG GLN A 12 9.472 1.077 1.629 1.00 0.00 C ATOM 169 CD GLN A 12 10.363 1.356 2.846 1.00 0.00 C ATOM 170 OE1 GLN A 12 11.552 1.610 2.716 1.00 0.00 O ATOM 171 NE2 GLN A 12 9.857 1.340 4.063 1.00 0.00 N ATOM 0 H GLN A 12 7.930 1.428 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 12 7.998 -1.262 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.452 1.070 2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.342 -0.401 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.035 0.478 0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.241 2.024 1.140 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.868 1.131 4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.454 1.536 4.866 1.00 0.00 H new ATOM 178 N CYS A 13 5.024 0.036 0.589 1.00 0.00 N ATOM 179 CA CYS A 13 3.597 -0.261 0.760 1.00 0.00 C ATOM 180 C CYS A 13 3.082 -1.316 -0.243 1.00 0.00 C ATOM 181 O CYS A 13 2.144 -2.049 0.072 1.00 0.00 O ATOM 182 CB CYS A 13 2.816 1.062 0.667 1.00 0.00 C ATOM 183 SG CYS A 13 1.010 0.956 0.658 1.00 0.00 S ATOM 0 H CYS A 13 5.193 0.872 0.030 1.00 0.00 H new ATOM 0 HA CYS A 13 3.441 -0.710 1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.114 1.690 1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.129 1.576 -0.242 1.00 0.00 H new ATOM 187 N LEU A 14 3.717 -1.481 -1.414 1.00 0.00 N ATOM 188 CA LEU A 14 3.356 -2.555 -2.353 1.00 0.00 C ATOM 189 C LEU A 14 3.487 -3.955 -1.728 1.00 0.00 C ATOM 190 O LEU A 14 2.597 -4.774 -1.938 1.00 0.00 O ATOM 191 CB LEU A 14 4.161 -2.454 -3.667 1.00 0.00 C ATOM 192 CG LEU A 14 3.537 -1.520 -4.721 1.00 0.00 C ATOM 193 CD1 LEU A 14 4.511 -1.314 -5.882 1.00 0.00 C ATOM 194 CD2 LEU A 14 2.244 -2.099 -5.311 1.00 0.00 C ATOM 0 H LEU A 14 4.481 -0.886 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 14 2.302 -2.413 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.167 -2.103 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.261 -3.451 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 14 3.316 -0.581 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.061 -0.652 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.433 -0.867 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.735 -2.276 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.839 -1.407 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.458 -3.055 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.515 -2.247 -4.514 1.00 0.00 H new ATOM 205 N LYS A 15 4.526 -4.221 -0.918 1.00 0.00 N ATOM 206 CA LYS A 15 4.686 -5.507 -0.203 1.00 0.00 C ATOM 207 C LYS A 15 3.457 -5.895 0.645 1.00 0.00 C ATOM 208 O LYS A 15 2.844 -6.920 0.331 1.00 0.00 O ATOM 209 CB LYS A 15 5.999 -5.542 0.614 1.00 0.00 C ATOM 210 CG LYS A 15 7.165 -6.209 -0.142 1.00 0.00 C ATOM 211 CD LYS A 15 8.350 -5.270 -0.394 1.00 0.00 C ATOM 212 CE LYS A 15 9.418 -6.027 -1.196 1.00 0.00 C ATOM 213 NZ LYS A 15 10.413 -5.107 -1.805 1.00 0.00 N ATOM 0 H LYS A 15 5.278 -3.556 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 15 4.758 -6.276 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.282 -4.523 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.825 -6.078 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.510 -7.071 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.800 -6.584 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.022 -4.387 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.764 -4.922 0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.930 -6.733 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.936 -6.611 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.116 -5.659 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.929 -4.449 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.892 -4.568 -1.055 1.00 0.00 H new ATOM 223 N PRO A 16 3.035 -5.111 1.660 1.00 0.00 N ATOM 224 CA PRO A 16 1.859 -5.448 2.459 1.00 0.00 C ATOM 225 C PRO A 16 0.549 -5.385 1.657 1.00 0.00 C ATOM 226 O PRO A 16 -0.310 -6.233 1.880 1.00 0.00 O ATOM 227 CB PRO A 16 1.877 -4.501 3.663 1.00 0.00 C ATOM 228 CG PRO A 16 2.688 -3.304 3.176 1.00 0.00 C ATOM 229 CD PRO A 16 3.691 -3.939 2.215 1.00 0.00 C ATOM 0 HA PRO A 16 1.900 -6.486 2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.869 -4.208 3.956 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.338 -4.969 4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.060 -2.567 2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.186 -2.792 3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.971 -3.240 1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.607 -4.216 2.736 1.00 0.00 H new ATOM 234 N CYS A 17 0.390 -4.473 0.686 1.00 0.00 N ATOM 235 CA CYS A 17 -0.806 -4.449 -0.170 1.00 0.00 C ATOM 236 C CYS A 17 -0.990 -5.731 -0.997 1.00 0.00 C ATOM 237 O CYS A 17 -2.070 -6.329 -0.986 1.00 0.00 O ATOM 238 CB CYS A 17 -0.762 -3.246 -1.121 1.00 0.00 C ATOM 239 SG CYS A 17 -1.089 -1.644 -0.359 1.00 0.00 S ATOM 0 H CYS A 17 1.072 -3.745 0.474 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.656 -4.371 0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.221 -3.212 -1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.490 -3.406 -1.916 1.00 0.00 H new ATOM 243 N LYS A 18 0.056 -6.165 -1.710 1.00 0.00 N ATOM 244 CA LYS A 18 -0.001 -7.338 -2.593 1.00 0.00 C ATOM 245 C LYS A 18 -0.140 -8.640 -1.799 1.00 0.00 C ATOM 246 O LYS A 18 -0.906 -9.521 -2.189 1.00 0.00 O ATOM 247 CB LYS A 18 1.226 -7.333 -3.526 1.00 0.00 C ATOM 248 CG LYS A 18 0.885 -7.774 -4.956 1.00 0.00 C ATOM 249 CD LYS A 18 2.058 -7.458 -5.900 1.00 0.00 C ATOM 250 CE LYS A 18 1.625 -7.588 -7.365 1.00 0.00 C ATOM 251 NZ LYS A 18 2.650 -7.030 -8.286 1.00 0.00 N ATOM 0 H LYS A 18 0.969 -5.711 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.896 -7.279 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.654 -6.331 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.990 -7.995 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.671 -8.843 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.015 -7.263 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.421 -6.448 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.886 -8.137 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.453 -8.638 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.679 -7.068 -7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.327 -7.133 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.796 -6.022 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.546 -7.543 -8.160 1.00 0.00 H new ATOM 261 N ASP A 19 0.526 -8.733 -0.647 1.00 0.00 N ATOM 262 CA ASP A 19 0.407 -9.869 0.276 1.00 0.00 C ATOM 263 C ASP A 19 -0.954 -9.925 1.010 1.00 0.00 C ATOM 264 O ASP A 19 -1.447 -11.017 1.304 1.00 0.00 O ATOM 265 CB ASP A 19 1.580 -9.833 1.264 1.00 0.00 C ATOM 266 CG ASP A 19 1.716 -11.152 2.043 1.00 0.00 C ATOM 267 OD1 ASP A 19 2.091 -12.180 1.428 1.00 0.00 O ATOM 268 OD2 ASP A 19 1.479 -11.161 3.276 1.00 0.00 O ATOM 0 H ASP A 19 1.172 -8.014 -0.322 1.00 0.00 H new ATOM 0 HA ASP A 19 0.448 -10.785 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.505 -9.635 0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.439 -9.010 1.965 1.00 0.00 H new ATOM 272 N ALA A 20 -1.606 -8.778 1.250 1.00 0.00 N ATOM 273 CA ALA A 20 -2.980 -8.697 1.773 1.00 0.00 C ATOM 274 C ALA A 20 -4.062 -9.138 0.759 1.00 0.00 C ATOM 275 O ALA A 20 -5.196 -9.418 1.157 1.00 0.00 O ATOM 276 CB ALA A 20 -3.253 -7.264 2.250 1.00 0.00 C ATOM 0 H ALA A 20 -1.187 -7.863 1.083 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.046 -9.401 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.269 -7.197 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.546 -7.001 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.138 -6.574 1.414 1.00 0.00 H new ATOM 282 N GLY A 21 -3.732 -9.195 -0.538 1.00 0.00 N ATOM 283 CA GLY A 21 -4.633 -9.617 -1.621 1.00 0.00 C ATOM 284 C GLY A 21 -5.154 -8.474 -2.507 1.00 0.00 C ATOM 285 O GLY A 21 -5.849 -8.738 -3.493 1.00 0.00 O ATOM 0 H GLY A 21 -2.803 -8.941 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.110 -10.337 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.486 -10.137 -1.184 1.00 0.00 H new ATOM 289 N MET A 22 -4.835 -7.216 -2.183 1.00 0.00 N ATOM 290 CA MET A 22 -5.128 -6.039 -3.017 1.00 0.00 C ATOM 291 C MET A 22 -4.150 -5.924 -4.209 1.00 0.00 C ATOM 292 O MET A 22 -3.178 -6.680 -4.310 1.00 0.00 O ATOM 293 CB MET A 22 -5.104 -4.765 -2.150 1.00 0.00 C ATOM 294 CG MET A 22 -6.382 -4.570 -1.323 1.00 0.00 C ATOM 295 SD MET A 22 -6.577 -5.636 0.131 1.00 0.00 S ATOM 296 CE MET A 22 -8.105 -4.921 0.802 1.00 0.00 C ATOM 0 H MET A 22 -4.355 -6.980 -1.315 1.00 0.00 H new ATOM 0 HA MET A 22 -6.126 -6.158 -3.439 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.247 -4.807 -1.478 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.961 -3.898 -2.795 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.419 -3.532 -0.992 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.239 -4.727 -1.978 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.387 -5.453 1.711 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.943 -3.868 1.033 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.903 -5.012 0.066 1.00 0.00 H new ATOM 304 N ARG A 23 -4.395 -4.966 -5.117 1.00 0.00 N ATOM 305 CA ARG A 23 -3.610 -4.777 -6.354 1.00 0.00 C ATOM 306 C ARG A 23 -2.719 -3.537 -6.299 1.00 0.00 C ATOM 307 O ARG A 23 -1.493 -3.662 -6.333 1.00 0.00 O ATOM 308 CB ARG A 23 -4.579 -4.736 -7.548 1.00 0.00 C ATOM 309 CG ARG A 23 -3.852 -4.532 -8.898 1.00 0.00 C ATOM 310 CD ARG A 23 -4.216 -5.599 -9.939 1.00 0.00 C ATOM 311 NE ARG A 23 -3.866 -6.958 -9.471 1.00 0.00 N ATOM 312 CZ ARG A 23 -2.658 -7.473 -9.336 1.00 0.00 C ATOM 313 NH1 ARG A 23 -1.588 -6.853 -9.747 1.00 0.00 N ATOM 314 NH2 ARG A 23 -2.507 -8.634 -8.768 1.00 0.00 N ATOM 0 H ARG A 23 -5.153 -4.291 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.926 -5.618 -6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.147 -5.666 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.297 -3.929 -7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.100 -3.547 -9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.775 -4.547 -8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.284 -5.551 -10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.695 -5.390 -10.873 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.647 -7.566 -9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.667 -5.938 -10.190 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.671 -7.283 -9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.321 -9.145 -8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.574 -9.033 -8.663 1.00 0.00 H new ATOM 325 N PHE A 24 -3.322 -2.354 -6.211 1.00 0.00 N ATOM 326 CA PHE A 24 -2.600 -1.092 -6.021 1.00 0.00 C ATOM 327 C PHE A 24 -1.915 -1.045 -4.647 1.00 0.00 C ATOM 328 O PHE A 24 -2.371 -1.682 -3.695 1.00 0.00 O ATOM 329 CB PHE A 24 -3.579 0.080 -6.173 1.00 0.00 C ATOM 330 CG PHE A 24 -3.760 0.575 -7.597 1.00 0.00 C ATOM 331 CD1 PHE A 24 -4.570 -0.137 -8.499 1.00 0.00 C ATOM 332 CD2 PHE A 24 -3.125 1.759 -8.020 1.00 0.00 C ATOM 333 CE1 PHE A 24 -4.741 0.325 -9.817 1.00 0.00 C ATOM 334 CE2 PHE A 24 -3.297 2.224 -9.336 1.00 0.00 C ATOM 335 CZ PHE A 24 -4.105 1.506 -10.237 1.00 0.00 C ATOM 0 H PHE A 24 -4.334 -2.240 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.821 -1.016 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.550 -0.223 -5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.231 0.909 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.063 -1.043 -8.179 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.504 2.312 -7.331 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.361 -0.228 -10.506 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.809 3.133 -9.655 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.236 1.861 -11.248 1.00 0.00 H new ATOM 344 N GLY A 25 -0.858 -0.239 -4.536 1.00 0.00 N ATOM 345 CA GLY A 25 -0.170 0.044 -3.277 1.00 0.00 C ATOM 346 C GLY A 25 0.669 1.318 -3.358 1.00 0.00 C ATOM 347 O GLY A 25 1.566 1.411 -4.199 1.00 0.00 O ATOM 0 H GLY A 25 -0.449 0.245 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.904 0.143 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.472 -0.797 -3.018 1.00 0.00 H new ATOM 351 N LYS A 26 0.377 2.306 -2.504 1.00 0.00 N ATOM 352 CA LYS A 26 1.120 3.577 -2.418 1.00 0.00 C ATOM 353 C LYS A 26 1.003 4.195 -1.020 1.00 0.00 C ATOM 354 O LYS A 26 -0.002 4.017 -0.334 1.00 0.00 O ATOM 355 CB LYS A 26 0.594 4.545 -3.504 1.00 0.00 C ATOM 356 CG LYS A 26 1.696 5.476 -4.036 1.00 0.00 C ATOM 357 CD LYS A 26 1.163 6.386 -5.156 1.00 0.00 C ATOM 358 CE LYS A 26 2.246 7.318 -5.722 1.00 0.00 C ATOM 359 NZ LYS A 26 3.236 6.599 -6.569 1.00 0.00 N ATOM 0 H LYS A 26 -0.395 2.247 -1.840 1.00 0.00 H new ATOM 0 HA LYS A 26 2.179 3.385 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.177 3.969 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.218 5.144 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.084 6.087 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.528 4.881 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.762 5.770 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.338 6.985 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.772 8.103 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.766 7.807 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.943 7.273 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.710 5.867 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.748 6.154 -7.372 1.00 0.00 H new ATOM 369 N CYS A 27 2.024 4.935 -0.594 1.00 0.00 N ATOM 370 CA CYS A 27 2.001 5.693 0.661 1.00 0.00 C ATOM 371 C CYS A 27 1.186 6.988 0.464 1.00 0.00 C ATOM 372 O CYS A 27 1.513 7.806 -0.399 1.00 0.00 O ATOM 373 CB CYS A 27 3.457 5.964 1.075 1.00 0.00 C ATOM 374 SG CYS A 27 3.769 6.548 2.765 1.00 0.00 S ATOM 0 H CYS A 27 2.898 5.028 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 27 1.515 5.135 1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.022 5.043 0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.868 6.702 0.386 1.00 0.00 H new ATOM 378 N THR A 28 0.120 7.176 1.245 1.00 0.00 N ATOM 379 CA THR A 28 -0.753 8.368 1.227 1.00 0.00 C ATOM 380 C THR A 28 -1.175 8.732 2.651 1.00 0.00 C ATOM 381 O THR A 28 -1.318 7.850 3.495 1.00 0.00 O ATOM 382 CB THR A 28 -1.986 8.141 0.331 1.00 0.00 C ATOM 383 OG1 THR A 28 -2.511 9.393 -0.054 1.00 0.00 O ATOM 384 CG2 THR A 28 -3.128 7.363 0.992 1.00 0.00 C ATOM 0 H THR A 28 -0.175 6.483 1.933 1.00 0.00 H new ATOM 0 HA THR A 28 -0.189 9.200 0.806 1.00 0.00 H new ATOM 0 HB THR A 28 -1.626 7.544 -0.507 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.295 9.257 -0.626 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.950 7.253 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.772 6.377 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.476 7.904 1.872 1.00 0.00 H new ATOM 392 N ASN A 29 -1.371 10.017 2.955 1.00 0.00 N ATOM 393 CA ASN A 29 -1.715 10.493 4.308 1.00 0.00 C ATOM 394 C ASN A 29 -0.786 9.934 5.429 1.00 0.00 C ATOM 395 O ASN A 29 -1.214 9.696 6.562 1.00 0.00 O ATOM 396 CB ASN A 29 -3.220 10.210 4.520 1.00 0.00 C ATOM 397 CG ASN A 29 -3.838 10.936 5.705 1.00 0.00 C ATOM 398 OD1 ASN A 29 -3.417 12.012 6.115 1.00 0.00 O ATOM 399 ND2 ASN A 29 -4.885 10.385 6.278 1.00 0.00 N ATOM 0 H ASN A 29 -1.296 10.767 2.268 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.536 11.565 4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.760 10.491 3.616 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.360 9.137 4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.343 10.853 7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.239 9.490 5.940 1.00 0.00 H new ATOM 405 N GLY A 30 0.486 9.661 5.097 1.00 0.00 N ATOM 406 CA GLY A 30 1.485 9.053 5.993 1.00 0.00 C ATOM 407 C GLY A 30 1.260 7.567 6.325 1.00 0.00 C ATOM 408 O GLY A 30 1.762 7.085 7.344 1.00 0.00 O ATOM 0 H GLY A 30 0.860 9.863 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.469 9.160 5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.502 9.617 6.926 1.00 0.00 H new ATOM 412 N LYS A 31 0.487 6.843 5.504 1.00 0.00 N ATOM 413 CA LYS A 31 0.035 5.460 5.737 1.00 0.00 C ATOM 414 C LYS A 31 -0.083 4.682 4.420 1.00 0.00 C ATOM 415 O LYS A 31 -0.204 5.256 3.339 1.00 0.00 O ATOM 416 CB LYS A 31 -1.321 5.520 6.477 1.00 0.00 C ATOM 417 CG LYS A 31 -1.370 4.706 7.786 1.00 0.00 C ATOM 418 CD LYS A 31 -2.090 5.486 8.900 1.00 0.00 C ATOM 419 CE LYS A 31 -1.100 6.418 9.622 1.00 0.00 C ATOM 420 NZ LYS A 31 -1.747 7.662 10.116 1.00 0.00 N ATOM 0 H LYS A 31 0.144 7.219 4.620 1.00 0.00 H new ATOM 0 HA LYS A 31 0.767 4.928 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.552 6.561 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.102 5.157 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.883 3.761 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.356 4.464 8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.907 6.070 8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.532 4.791 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.652 5.887 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.290 6.679 8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.039 8.255 10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.152 8.185 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.503 7.417 10.787 1.00 0.00 H new ATOM 430 N CYS A 32 -0.019 3.360 4.488 1.00 0.00 N ATOM 431 CA CYS A 32 -0.127 2.499 3.317 1.00 0.00 C ATOM 432 C CYS A 32 -1.583 2.417 2.825 1.00 0.00 C ATOM 433 O CYS A 32 -2.484 2.051 3.583 1.00 0.00 O ATOM 434 CB CYS A 32 0.442 1.125 3.677 1.00 0.00 C ATOM 435 SG CYS A 32 0.488 -0.082 2.332 1.00 0.00 S ATOM 0 H CYS A 32 0.110 2.851 5.362 1.00 0.00 H new ATOM 0 HA CYS A 32 0.448 2.914 2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.456 1.260 4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.149 0.710 4.493 1.00 0.00 H new ATOM 439 N HIS A 33 -1.804 2.731 1.549 1.00 0.00 N ATOM 440 CA HIS A 33 -3.094 2.655 0.863 1.00 0.00 C ATOM 441 C HIS A 33 -3.019 1.621 -0.262 1.00 0.00 C ATOM 442 O HIS A 33 -2.085 1.619 -1.064 1.00 0.00 O ATOM 443 CB HIS A 33 -3.478 4.050 0.332 1.00 0.00 C ATOM 444 CG HIS A 33 -4.213 4.078 -0.991 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.495 3.642 -1.250 1.00 0.00 N ATOM 446 CD2 HIS A 33 -3.695 4.522 -2.180 1.00 0.00 C ATOM 447 CE1 HIS A 33 -5.738 3.811 -2.560 1.00 0.00 C ATOM 448 NE2 HIS A 33 -4.671 4.355 -3.172 1.00 0.00 N ATOM 0 H HIS A 33 -1.056 3.060 0.938 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.870 2.335 1.558 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.099 4.543 1.080 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.568 4.642 0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.706 4.930 -2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.662 3.547 -3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.589 4.597 -4.159 1.00 0.00 H new ATOM 456 N CYS A 34 -4.055 0.790 -0.330 1.00 0.00 N ATOM 457 CA CYS A 34 -4.278 -0.205 -1.371 1.00 0.00 C ATOM 458 C CYS A 34 -5.698 -0.043 -1.938 1.00 0.00 C ATOM 459 O CYS A 34 -6.532 0.637 -1.336 1.00 0.00 O ATOM 460 CB CYS A 34 -4.119 -1.616 -0.777 1.00 0.00 C ATOM 461 SG CYS A 34 -2.896 -1.866 0.533 1.00 0.00 S ATOM 0 H CYS A 34 -4.795 0.793 0.372 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.550 -0.065 -2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.090 -1.924 -0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.874 -2.294 -1.594 1.00 0.00 H new ATOM 465 N THR A 35 -5.993 -0.722 -3.046 1.00 0.00 N ATOM 466 CA THR A 35 -7.340 -0.788 -3.647 1.00 0.00 C ATOM 467 C THR A 35 -7.515 -2.093 -4.441 1.00 0.00 C ATOM 468 O THR A 35 -6.516 -2.687 -4.876 1.00 0.00 O ATOM 469 CB THR A 35 -7.647 0.425 -4.567 1.00 0.00 C ATOM 470 OG1 THR A 35 -6.491 1.132 -4.964 1.00 0.00 O ATOM 471 CG2 THR A 35 -8.558 1.453 -3.889 1.00 0.00 C ATOM 0 H THR A 35 -5.295 -1.254 -3.566 1.00 0.00 H new ATOM 0 HA THR A 35 -8.049 -0.761 -2.819 1.00 0.00 H new ATOM 0 HB THR A 35 -8.132 -0.024 -5.434 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.748 1.881 -5.541 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.743 2.282 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.505 0.982 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.075 1.828 -2.987 1.00 0.00 H new ATOM 479 N PRO A 36 -8.760 -2.573 -4.632 1.00 0.00 N ATOM 480 CA PRO A 36 -9.039 -3.761 -5.436 1.00 0.00 C ATOM 481 C PRO A 36 -8.898 -3.469 -6.941 1.00 0.00 C ATOM 482 O PRO A 36 -9.283 -2.391 -7.406 1.00 0.00 O ATOM 483 CB PRO A 36 -10.475 -4.155 -5.069 1.00 0.00 C ATOM 484 CG PRO A 36 -11.139 -2.823 -4.723 1.00 0.00 C ATOM 485 CD PRO A 36 -10.001 -2.017 -4.102 1.00 0.00 C ATOM 0 HA PRO A 36 -8.333 -4.566 -5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.979 -4.650 -5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.498 -4.845 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.543 -2.333 -5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.966 -2.955 -4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.091 -0.961 -4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.024 -2.088 -3.015 1.00 0.00 H new ATOM 490 N LYS A 37 -8.410 -4.471 -7.690 1.00 0.00 N ATOM 491 CA LYS A 37 -8.271 -4.500 -9.165 1.00 0.00 C ATOM 492 C LYS A 37 -7.779 -3.162 -9.771 1.00 0.00 C ATOM 493 O LYS A 37 -8.482 -2.529 -10.593 1.00 0.00 O ATOM 494 CB LYS A 37 -9.599 -5.025 -9.749 1.00 0.00 C ATOM 495 CG LYS A 37 -9.537 -5.517 -11.207 1.00 0.00 C ATOM 496 CD LYS A 37 -10.380 -4.652 -12.161 1.00 0.00 C ATOM 497 CE LYS A 37 -10.764 -5.430 -13.425 1.00 0.00 C ATOM 498 NZ LYS A 37 -11.798 -4.706 -14.207 1.00 0.00 N ATOM 0 H LYS A 37 -8.081 -5.336 -7.262 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.470 -5.183 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.952 -5.844 -9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.343 -4.231 -9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.500 -5.516 -11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.886 -6.548 -11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.282 -4.316 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.819 -3.759 -12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.879 -5.585 -14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.137 -6.416 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.039 -5.255 -15.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.650 -4.580 -13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.431 -3.775 -14.489 1.00 0.00 H new