USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 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: B 18 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 22 ASN : amide:sc= 0.0613 K(o=0.061,f=-0.48) USER MOD Set 2.1: B 1 GLY N :NH3+ 163:sc= 1.25 (180deg=0) USER MOD Set 2.2: B 5 GLN : amide:sc= 0.842 K(o=2.1,f=-8.4!) USER MOD Set 3.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 22 ASN : amide:sc= 0.0511 K(o=0.051,f=-0.48) USER MOD Set 4.1: A 1 GLY N :NH3+ -175:sc= 1.28 (180deg=0) USER MOD Set 4.2: A 5 GLN : amide:sc= 0.869 K(o=2.1,f=-8.4!) USER MOD Single : A 2 SER OG : rot 115:sc= 1.05 USER MOD Single : A 3 MET CE :methyl -165:sc= -0.257 (180deg=-0.665) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0594) USER MOD Single : A 15 SER OG : rot 62:sc= 1.1 USER MOD Single : A 16 LYS NZ :NH3+ -108:sc= -0.746 (180deg=-2.75!) USER MOD Single : A 17 ASN : amide:sc= -1.89 K(o=-1.9,f=-8.1!) USER MOD Single : A 19 HIS : no HD1:sc= -0.638 K(o=-0.64,f=0.17) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0.903 (180deg=0.689) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.0157 (180deg=-0.191) USER MOD Single : B 2 SER OG : rot 116:sc= 1.04 USER MOD Single : B 3 MET CE :methyl -166:sc= -0.27 (180deg=-0.649) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 172:sc=-0.00688 (180deg=-0.0944) USER MOD Single : B 15 SER OG : rot 65:sc= 1.15 USER MOD Single : B 16 LYS NZ :NH3+ -116:sc= -0.718 (180deg=-2.7!) USER MOD Single : B 17 ASN : amide:sc= -1.84 K(o=-1.8,f=-7.8!) USER MOD Single : B 19 HIS : no HD1:sc= -0.621 K(o=-0.62,f=0.16) USER MOD Single : B 28 LYS NZ :NH3+ 169:sc= 0.905 (180deg=0.702) USER MOD Single : B 29 LYS NZ :NH3+ -165:sc= -0.0168 (180deg=-0.216) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.083 -7.184 -5.118 1.00 0.00 N ATOM 2 CA GLY A 1 -23.676 -5.846 -4.886 1.00 0.00 C ATOM 3 C GLY A 1 -22.909 -5.051 -3.849 1.00 0.00 C ATOM 4 O GLY A 1 -22.493 -5.608 -2.833 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.588 -7.658 -5.894 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.080 -7.080 -5.371 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.164 -7.755 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.696 -5.292 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.710 -5.960 -4.561 1.00 0.00 H new ATOM 10 N SER A 2 -22.706 -3.761 -4.145 1.00 0.00 N ATOM 11 CA SER A 2 -22.079 -2.781 -3.242 1.00 0.00 C ATOM 12 C SER A 2 -20.919 -3.340 -2.410 1.00 0.00 C ATOM 13 O SER A 2 -19.765 -3.300 -2.841 1.00 0.00 O ATOM 14 CB SER A 2 -23.129 -2.133 -2.330 1.00 0.00 C ATOM 15 OG SER A 2 -23.920 -3.105 -1.664 1.00 0.00 O ATOM 0 H SER A 2 -22.979 -3.357 -5.041 1.00 0.00 H new ATOM 0 HA SER A 2 -21.640 -2.026 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.631 -1.503 -1.593 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.774 -1.483 -2.922 1.00 0.00 H new ATOM 0 HG SER A 2 -23.759 -3.052 -0.699 1.00 0.00 H new ATOM 21 N MET A 3 -21.244 -3.866 -1.227 1.00 0.00 N ATOM 22 CA MET A 3 -20.250 -4.318 -0.253 1.00 0.00 C ATOM 23 C MET A 3 -19.170 -5.190 -0.884 1.00 0.00 C ATOM 24 O MET A 3 -17.989 -4.952 -0.676 1.00 0.00 O ATOM 25 CB MET A 3 -20.922 -5.089 0.892 1.00 0.00 C ATOM 26 CG MET A 3 -21.526 -4.221 1.995 1.00 0.00 C ATOM 27 SD MET A 3 -22.820 -3.100 1.423 1.00 0.00 S ATOM 28 CE MET A 3 -21.874 -1.606 1.126 1.00 0.00 C ATOM 0 H MET A 3 -22.208 -3.991 -0.917 1.00 0.00 H new ATOM 0 HA MET A 3 -19.771 -3.421 0.138 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.709 -5.716 0.473 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.186 -5.757 1.340 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.937 -4.869 2.769 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.732 -3.636 2.458 1.00 0.00 H new ATOM 0 HE1 MET A 3 -22.553 -0.759 1.028 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.196 -1.433 1.961 1.00 0.00 H new ATOM 0 HE3 MET A 3 -21.298 -1.717 0.208 1.00 0.00 H new ATOM 38 N LYS A 4 -19.568 -6.165 -1.687 1.00 0.00 N ATOM 39 CA LYS A 4 -18.618 -7.143 -2.216 1.00 0.00 C ATOM 40 C LYS A 4 -17.722 -6.546 -3.299 1.00 0.00 C ATOM 41 O LYS A 4 -16.682 -7.101 -3.624 1.00 0.00 O ATOM 42 CB LYS A 4 -19.357 -8.357 -2.767 1.00 0.00 C ATOM 43 CG LYS A 4 -20.171 -9.096 -1.719 1.00 0.00 C ATOM 44 CD LYS A 4 -20.919 -10.275 -2.317 1.00 0.00 C ATOM 45 CE LYS A 4 -21.757 -10.983 -1.266 1.00 0.00 C ATOM 46 NZ LYS A 4 -22.539 -12.108 -1.840 1.00 0.00 N ATOM 0 H LYS A 4 -20.533 -6.303 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.979 -7.450 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.020 -8.036 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.634 -9.045 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.510 -9.448 -0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.882 -8.409 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.562 -9.929 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.208 -10.977 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.106 -11.360 -0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -22.437 -10.268 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.096 -12.563 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -23.180 -11.746 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.890 -12.804 -2.259 1.00 0.00 H new ATOM 60 N GLN A 5 -18.113 -5.409 -3.835 1.00 0.00 N ATOM 61 CA GLN A 5 -17.371 -4.777 -4.917 1.00 0.00 C ATOM 62 C GLN A 5 -16.500 -3.679 -4.349 1.00 0.00 C ATOM 63 O GLN A 5 -15.357 -3.485 -4.769 1.00 0.00 O ATOM 64 CB GLN A 5 -18.317 -4.201 -5.975 1.00 0.00 C ATOM 65 CG GLN A 5 -18.826 -5.218 -6.990 1.00 0.00 C ATOM 66 CD GLN A 5 -19.562 -6.384 -6.362 1.00 0.00 C ATOM 67 OE1 GLN A 5 -20.764 -6.316 -6.121 1.00 0.00 O ATOM 68 NE2 GLN A 5 -18.854 -7.474 -6.118 1.00 0.00 N ATOM 0 H GLN A 5 -18.945 -4.897 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.749 -5.531 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.172 -3.750 -5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.802 -3.402 -6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.490 -4.716 -7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.982 -5.599 -7.565 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.857 -7.493 -6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.305 -8.296 -5.716 1.00 0.00 H new ATOM 77 N LEU A 6 -17.057 -2.970 -3.383 1.00 0.00 N ATOM 78 CA LEU A 6 -16.323 -1.952 -2.659 1.00 0.00 C ATOM 79 C LEU A 6 -15.251 -2.618 -1.811 1.00 0.00 C ATOM 80 O LEU A 6 -14.090 -2.231 -1.857 1.00 0.00 O ATOM 81 CB LEU A 6 -17.262 -1.118 -1.772 1.00 0.00 C ATOM 82 CG LEU A 6 -18.003 0.058 -2.444 1.00 0.00 C ATOM 83 CD1 LEU A 6 -17.034 1.174 -2.818 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.772 -0.402 -3.674 1.00 0.00 C ATOM 0 H LEU A 6 -18.025 -3.084 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.857 -1.276 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.008 -1.788 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.678 -0.720 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.718 0.447 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.583 1.989 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.538 1.542 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.287 0.790 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.282 0.450 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.079 -0.832 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.507 -1.153 -3.384 1.00 0.00 H new ATOM 96 N GLU A 7 -15.645 -3.651 -1.066 1.00 0.00 N ATOM 97 CA GLU A 7 -14.705 -4.396 -0.240 1.00 0.00 C ATOM 98 C GLU A 7 -13.666 -5.088 -1.119 1.00 0.00 C ATOM 99 O GLU A 7 -12.501 -5.182 -0.736 1.00 0.00 O ATOM 100 CB GLU A 7 -15.438 -5.423 0.634 1.00 0.00 C ATOM 101 CG GLU A 7 -14.770 -5.711 1.977 1.00 0.00 C ATOM 102 CD GLU A 7 -13.429 -6.414 1.857 1.00 0.00 C ATOM 103 OE1 GLU A 7 -13.420 -7.634 1.604 1.00 0.00 O ATOM 104 OE2 GLU A 7 -12.389 -5.743 2.029 1.00 0.00 O ATOM 0 H GLU A 7 -16.607 -3.987 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.196 -3.693 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.452 -5.067 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.524 -6.357 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.630 -4.771 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.439 -6.325 2.580 1.00 0.00 H new ATOM 111 N ASP A 8 -14.072 -5.566 -2.302 1.00 0.00 N ATOM 112 CA ASP A 8 -13.096 -6.153 -3.229 1.00 0.00 C ATOM 113 C ASP A 8 -12.092 -5.107 -3.700 1.00 0.00 C ATOM 114 O ASP A 8 -10.936 -5.425 -3.972 1.00 0.00 O ATOM 115 CB ASP A 8 -13.769 -6.813 -4.434 1.00 0.00 C ATOM 116 CG ASP A 8 -13.794 -8.328 -4.323 1.00 0.00 C ATOM 117 OD1 ASP A 8 -12.876 -8.974 -4.868 1.00 0.00 O ATOM 118 OD2 ASP A 8 -14.723 -8.869 -3.690 1.00 0.00 O ATOM 0 H ASP A 8 -15.037 -5.560 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.567 -6.930 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.789 -6.441 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.242 -6.526 -5.344 1.00 0.00 H new ATOM 123 N LYS A 9 -12.534 -3.859 -3.779 1.00 0.00 N ATOM 124 CA LYS A 9 -11.657 -2.758 -4.154 1.00 0.00 C ATOM 125 C LYS A 9 -10.679 -2.463 -3.017 1.00 0.00 C ATOM 126 O LYS A 9 -9.481 -2.268 -3.245 1.00 0.00 O ATOM 127 CB LYS A 9 -12.490 -1.511 -4.482 1.00 0.00 C ATOM 128 CG LYS A 9 -11.683 -0.348 -5.040 1.00 0.00 C ATOM 129 CD LYS A 9 -11.078 -0.680 -6.394 1.00 0.00 C ATOM 130 CE LYS A 9 -10.394 0.530 -7.016 1.00 0.00 C ATOM 131 NZ LYS A 9 -9.287 1.051 -6.170 1.00 0.00 N ATOM 0 H LYS A 9 -13.497 -3.583 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.089 -3.039 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.261 -1.783 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.002 -1.182 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.325 0.528 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.888 -0.088 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.356 -1.489 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.859 -1.041 -7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.002 0.259 -7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.130 1.319 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.788 1.808 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.676 1.429 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.622 0.281 -5.956 1.00 0.00 H new ATOM 145 N VAL A 10 -11.203 -2.454 -1.792 1.00 0.00 N ATOM 146 CA VAL A 10 -10.391 -2.226 -0.599 1.00 0.00 C ATOM 147 C VAL A 10 -9.342 -3.330 -0.451 1.00 0.00 C ATOM 148 O VAL A 10 -8.152 -3.061 -0.289 1.00 0.00 O ATOM 149 CB VAL A 10 -11.250 -2.206 0.690 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.453 -1.656 1.852 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.525 -1.403 0.524 1.00 0.00 C ATOM 0 H VAL A 10 -12.194 -2.603 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.914 -1.254 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.532 -3.239 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.073 -1.650 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.577 -2.282 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.133 -0.639 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.090 -1.421 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.276 -0.373 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.127 -1.837 -0.274 1.00 0.00 H new ATOM 161 N GLU A 11 -9.801 -4.576 -0.529 1.00 0.00 N ATOM 162 CA GLU A 11 -8.944 -5.745 -0.341 1.00 0.00 C ATOM 163 C GLU A 11 -7.869 -5.829 -1.429 1.00 0.00 C ATOM 164 O GLU A 11 -6.776 -6.346 -1.194 1.00 0.00 O ATOM 165 CB GLU A 11 -9.811 -7.013 -0.346 1.00 0.00 C ATOM 166 CG GLU A 11 -9.037 -8.320 -0.238 1.00 0.00 C ATOM 167 CD GLU A 11 -8.297 -8.469 1.078 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.056 -8.340 1.076 1.00 0.00 O ATOM 169 OE2 GLU A 11 -8.959 -8.717 2.107 1.00 0.00 O ATOM 0 H GLU A 11 -10.776 -4.805 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.433 -5.653 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.517 -6.956 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.398 -7.030 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.728 -9.155 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.322 -8.380 -1.058 1.00 0.00 H new ATOM 176 N GLU A 12 -8.174 -5.316 -2.613 1.00 0.00 N ATOM 177 CA GLU A 12 -7.213 -5.313 -3.706 1.00 0.00 C ATOM 178 C GLU A 12 -6.092 -4.328 -3.400 1.00 0.00 C ATOM 179 O GLU A 12 -4.920 -4.601 -3.659 1.00 0.00 O ATOM 180 CB GLU A 12 -7.893 -4.962 -5.031 1.00 0.00 C ATOM 181 CG GLU A 12 -6.986 -5.131 -6.239 1.00 0.00 C ATOM 182 CD GLU A 12 -7.704 -4.892 -7.551 1.00 0.00 C ATOM 183 OE1 GLU A 12 -7.627 -3.763 -8.074 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.342 -5.838 -8.055 1.00 0.00 O ATOM 0 H GLU A 12 -9.076 -4.898 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.791 -6.313 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.774 -5.592 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.242 -3.930 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.148 -4.439 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.569 -6.138 -6.236 1.00 0.00 H new ATOM 191 N LEU A 13 -6.452 -3.190 -2.817 1.00 0.00 N ATOM 192 CA LEU A 13 -5.455 -2.235 -2.358 1.00 0.00 C ATOM 193 C LEU A 13 -4.699 -2.812 -1.174 1.00 0.00 C ATOM 194 O LEU A 13 -3.527 -2.516 -0.974 1.00 0.00 O ATOM 195 CB LEU A 13 -6.090 -0.902 -1.967 1.00 0.00 C ATOM 196 CG LEU A 13 -6.647 -0.073 -3.122 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.089 1.285 -2.619 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.613 0.088 -4.226 1.00 0.00 C ATOM 0 H LEU A 13 -7.419 -2.909 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.765 -2.048 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.897 -1.098 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.345 -0.305 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.507 -0.599 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.485 1.869 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.864 1.158 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.237 1.806 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.035 0.682 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.732 0.591 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.330 -0.894 -4.606 1.00 0.00 H new ATOM 210 N LEU A 14 -5.387 -3.641 -0.399 1.00 0.00 N ATOM 211 CA LEU A 14 -4.780 -4.346 0.724 1.00 0.00 C ATOM 212 C LEU A 14 -3.724 -5.323 0.216 1.00 0.00 C ATOM 213 O LEU A 14 -2.761 -5.641 0.910 1.00 0.00 O ATOM 214 CB LEU A 14 -5.851 -5.119 1.497 1.00 0.00 C ATOM 215 CG LEU A 14 -5.540 -5.373 2.974 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.689 -4.095 3.779 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.444 -6.455 3.535 1.00 0.00 C ATOM 0 H LEU A 14 -6.378 -3.843 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.312 -3.615 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.790 -4.570 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.007 -6.079 1.006 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.507 -5.713 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.464 -4.296 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.999 -3.342 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.711 -3.727 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.206 -6.619 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.485 -6.144 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.292 -7.380 2.979 1.00 0.00 H new ATOM 229 N SER A 15 -3.917 -5.781 -1.012 1.00 0.00 N ATOM 230 CA SER A 15 -3.024 -6.748 -1.626 1.00 0.00 C ATOM 231 C SER A 15 -1.730 -6.076 -2.071 1.00 0.00 C ATOM 232 O SER A 15 -0.639 -6.598 -1.841 1.00 0.00 O ATOM 233 CB SER A 15 -3.715 -7.420 -2.812 1.00 0.00 C ATOM 234 OG SER A 15 -4.955 -7.989 -2.416 1.00 0.00 O ATOM 0 H SER A 15 -4.694 -5.493 -1.607 1.00 0.00 H new ATOM 0 HA SER A 15 -2.775 -7.511 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.881 -6.690 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.069 -8.195 -3.224 1.00 0.00 H new ATOM 0 HG SER A 15 -5.552 -7.281 -2.096 1.00 0.00 H new ATOM 240 N LYS A 16 -1.845 -4.913 -2.703 1.00 0.00 N ATOM 241 CA LYS A 16 -0.655 -4.165 -3.079 1.00 0.00 C ATOM 242 C LYS A 16 -0.024 -3.531 -1.849 1.00 0.00 C ATOM 243 O LYS A 16 1.189 -3.393 -1.783 1.00 0.00 O ATOM 244 CB LYS A 16 -0.932 -3.105 -4.150 1.00 0.00 C ATOM 245 CG LYS A 16 -1.959 -2.057 -3.761 1.00 0.00 C ATOM 246 CD LYS A 16 -2.177 -1.022 -4.861 1.00 0.00 C ATOM 247 CE LYS A 16 -0.961 -0.127 -5.075 1.00 0.00 C ATOM 248 NZ LYS A 16 0.059 -0.741 -5.971 1.00 0.00 N ATOM 0 H LYS A 16 -2.730 -4.477 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 16 0.043 -4.876 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.004 -2.603 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.271 -3.606 -5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.906 -2.547 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.634 -1.553 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.415 -1.533 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.038 -0.404 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.285 0.823 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.504 0.094 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.887 -1.027 -5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.347 -1.576 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.350 -0.049 -6.691 1.00 0.00 H new ATOM 262 N ASN A 17 -0.852 -3.160 -0.875 1.00 0.00 N ATOM 263 CA ASN A 17 -0.357 -2.723 0.430 1.00 0.00 C ATOM 264 C ASN A 17 0.515 -3.809 1.030 1.00 0.00 C ATOM 265 O ASN A 17 1.539 -3.531 1.653 1.00 0.00 O ATOM 266 CB ASN A 17 -1.517 -2.412 1.379 1.00 0.00 C ATOM 267 CG ASN A 17 -1.846 -0.934 1.441 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.961 -0.085 1.394 1.00 0.00 O ATOM 269 ND2 ASN A 17 -3.126 -0.614 1.543 1.00 0.00 N ATOM 0 H ASN A 17 -1.868 -3.153 -0.964 1.00 0.00 H new ATOM 0 HA ASN A 17 0.227 -1.813 0.292 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.401 -2.963 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.267 -2.766 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.405 0.366 1.585 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.834 -1.348 1.579 1.00 0.00 H new ATOM 276 N TYR A 18 0.102 -5.055 0.839 1.00 0.00 N ATOM 277 CA TYR A 18 0.905 -6.188 1.268 1.00 0.00 C ATOM 278 C TYR A 18 2.234 -6.211 0.511 1.00 0.00 C ATOM 279 O TYR A 18 3.296 -6.358 1.112 1.00 0.00 O ATOM 280 CB TYR A 18 0.140 -7.499 1.054 1.00 0.00 C ATOM 281 CG TYR A 18 0.926 -8.733 1.432 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.157 -9.053 2.763 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.435 -9.577 0.456 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.880 -10.177 3.110 1.00 0.00 C ATOM 285 CE2 TYR A 18 2.156 -10.703 0.795 1.00 0.00 C ATOM 286 CZ TYR A 18 2.376 -11.000 2.122 1.00 0.00 C ATOM 287 OH TYR A 18 3.104 -12.120 2.459 1.00 0.00 O ATOM 0 H TYR A 18 -0.780 -5.304 0.392 1.00 0.00 H new ATOM 0 HA TYR A 18 1.114 -6.084 2.333 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.779 -7.472 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.151 -7.572 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.765 -8.413 3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.264 -9.349 -0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.056 -10.410 4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.547 -11.349 0.023 1.00 0.00 H new ATOM 0 HH TYR A 18 3.378 -12.590 1.644 1.00 0.00 H new ATOM 297 N HIS A 19 2.164 -6.034 -0.806 1.00 0.00 N ATOM 298 CA HIS A 19 3.356 -6.067 -1.656 1.00 0.00 C ATOM 299 C HIS A 19 4.310 -4.917 -1.349 1.00 0.00 C ATOM 300 O HIS A 19 5.502 -5.139 -1.162 1.00 0.00 O ATOM 301 CB HIS A 19 2.976 -6.034 -3.137 1.00 0.00 C ATOM 302 CG HIS A 19 2.615 -7.374 -3.697 1.00 0.00 C ATOM 303 ND1 HIS A 19 3.496 -8.144 -4.426 1.00 0.00 N ATOM 304 CD2 HIS A 19 1.462 -8.080 -3.640 1.00 0.00 C ATOM 305 CE1 HIS A 19 2.901 -9.262 -4.793 1.00 0.00 C ATOM 306 NE2 HIS A 19 1.666 -9.248 -4.328 1.00 0.00 N ATOM 0 H HIS A 19 1.294 -5.866 -1.311 1.00 0.00 H new ATOM 0 HA HIS A 19 3.869 -7.003 -1.437 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.134 -5.355 -3.272 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.810 -5.625 -3.708 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.551 -7.779 -3.145 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.348 -10.054 -5.375 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.975 -9.987 -4.459 1.00 0.00 H new ATOM 315 N LEU A 20 3.786 -3.696 -1.307 1.00 0.00 N ATOM 316 CA LEU A 20 4.601 -2.515 -1.021 1.00 0.00 C ATOM 317 C LEU A 20 5.308 -2.679 0.304 1.00 0.00 C ATOM 318 O LEU A 20 6.525 -2.572 0.387 1.00 0.00 O ATOM 319 CB LEU A 20 3.743 -1.251 -0.950 1.00 0.00 C ATOM 320 CG LEU A 20 2.846 -0.992 -2.143 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.255 0.402 -2.083 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.589 -1.211 -3.453 1.00 0.00 C ATOM 0 H LEU A 20 2.799 -3.496 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 20 5.324 -2.416 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.120 -1.308 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.404 -0.393 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 20 2.027 -1.710 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.615 0.563 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.666 0.508 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.059 1.138 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.917 -1.017 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.440 -0.532 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.942 -2.241 -3.503 1.00 0.00 H new ATOM 334 N GLU A 21 4.523 -2.951 1.332 1.00 0.00 N ATOM 335 CA GLU A 21 5.051 -3.082 2.685 1.00 0.00 C ATOM 336 C GLU A 21 6.110 -4.183 2.749 1.00 0.00 C ATOM 337 O GLU A 21 7.146 -4.017 3.395 1.00 0.00 O ATOM 338 CB GLU A 21 3.922 -3.368 3.678 1.00 0.00 C ATOM 339 CG GLU A 21 4.058 -2.615 4.995 1.00 0.00 C ATOM 340 CD GLU A 21 5.321 -2.972 5.756 1.00 0.00 C ATOM 341 OE1 GLU A 21 5.329 -4.023 6.430 1.00 0.00 O ATOM 342 OE2 GLU A 21 6.302 -2.203 5.673 1.00 0.00 O ATOM 0 H GLU A 21 3.515 -3.086 1.258 1.00 0.00 H new ATOM 0 HA GLU A 21 5.521 -2.138 2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.970 -3.106 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.893 -4.438 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.051 -1.543 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.191 -2.829 5.620 1.00 0.00 H new ATOM 349 N ASN A 22 5.851 -5.298 2.074 1.00 0.00 N ATOM 350 CA ASN A 22 6.824 -6.385 1.992 1.00 0.00 C ATOM 351 C ASN A 22 8.066 -5.938 1.237 1.00 0.00 C ATOM 352 O ASN A 22 9.190 -6.265 1.623 1.00 0.00 O ATOM 353 CB ASN A 22 6.221 -7.617 1.309 1.00 0.00 C ATOM 354 CG ASN A 22 5.434 -8.495 2.263 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.876 -8.023 3.257 1.00 0.00 O ATOM 356 ND2 ASN A 22 5.388 -9.784 1.968 1.00 0.00 N ATOM 0 H ASN A 22 4.978 -5.474 1.576 1.00 0.00 H new ATOM 0 HA ASN A 22 7.103 -6.654 3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.568 -7.294 0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.021 -8.205 0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.877 -10.428 2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.863 -10.134 1.136 1.00 0.00 H new ATOM 363 N GLU A 23 7.861 -5.175 0.170 1.00 0.00 N ATOM 364 CA GLU A 23 8.966 -4.666 -0.625 1.00 0.00 C ATOM 365 C GLU A 23 9.812 -3.709 0.211 1.00 0.00 C ATOM 366 O GLU A 23 11.042 -3.750 0.162 1.00 0.00 O ATOM 367 CB GLU A 23 8.443 -3.960 -1.880 1.00 0.00 C ATOM 368 CG GLU A 23 9.522 -3.656 -2.910 1.00 0.00 C ATOM 369 CD GLU A 23 10.120 -4.911 -3.522 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.082 -5.455 -2.942 1.00 0.00 O ATOM 371 OE2 GLU A 23 9.628 -5.345 -4.585 1.00 0.00 O ATOM 0 H GLU A 23 6.938 -4.896 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 23 9.588 -5.504 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.677 -4.582 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.961 -3.027 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.099 -3.037 -3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.314 -3.074 -2.439 1.00 0.00 H new ATOM 378 N VAL A 24 9.138 -2.864 0.991 1.00 0.00 N ATOM 379 CA VAL A 24 9.815 -1.940 1.893 1.00 0.00 C ATOM 380 C VAL A 24 10.680 -2.712 2.888 1.00 0.00 C ATOM 381 O VAL A 24 11.837 -2.371 3.111 1.00 0.00 O ATOM 382 CB VAL A 24 8.819 -1.058 2.690 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.564 -0.102 3.606 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.907 -0.276 1.765 1.00 0.00 C ATOM 0 H VAL A 24 8.120 -2.802 1.014 1.00 0.00 H new ATOM 0 HA VAL A 24 10.430 -1.290 1.271 1.00 0.00 H new ATOM 0 HB VAL A 24 8.204 -1.725 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.847 0.508 4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.171 -0.671 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.209 0.545 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.222 0.331 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.506 0.372 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.336 -0.968 1.146 1.00 0.00 H new ATOM 394 N ALA A 25 10.106 -3.763 3.469 1.00 0.00 N ATOM 395 CA ALA A 25 10.802 -4.575 4.463 1.00 0.00 C ATOM 396 C ALA A 25 12.081 -5.181 3.889 1.00 0.00 C ATOM 397 O ALA A 25 13.126 -5.187 4.545 1.00 0.00 O ATOM 398 CB ALA A 25 9.881 -5.673 4.980 1.00 0.00 C ATOM 0 H ALA A 25 9.156 -4.073 3.267 1.00 0.00 H new ATOM 0 HA ALA A 25 11.084 -3.926 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.410 -6.273 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.001 -5.223 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.573 -6.310 4.151 1.00 0.00 H new ATOM 404 N ARG A 26 11.991 -5.683 2.664 1.00 0.00 N ATOM 405 CA ARG A 26 13.141 -6.270 1.988 1.00 0.00 C ATOM 406 C ARG A 26 14.202 -5.209 1.719 1.00 0.00 C ATOM 407 O ARG A 26 15.376 -5.389 2.046 1.00 0.00 O ATOM 408 CB ARG A 26 12.709 -6.924 0.674 1.00 0.00 C ATOM 409 CG ARG A 26 11.710 -8.056 0.856 1.00 0.00 C ATOM 410 CD ARG A 26 11.293 -8.648 -0.479 1.00 0.00 C ATOM 411 NE ARG A 26 10.309 -9.717 -0.323 1.00 0.00 N ATOM 412 CZ ARG A 26 9.974 -10.565 -1.292 1.00 0.00 C ATOM 413 NH1 ARG A 26 10.548 -10.477 -2.485 1.00 0.00 N ATOM 414 NH2 ARG A 26 9.067 -11.506 -1.067 1.00 0.00 N ATOM 0 H ARG A 26 11.130 -5.695 2.117 1.00 0.00 H new ATOM 0 HA ARG A 26 13.568 -7.034 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.270 -6.164 0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.591 -7.308 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.150 -8.835 1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.830 -7.686 1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.877 -7.862 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.172 -9.037 -0.993 1.00 0.00 H new ATOM 0 HE ARG A 26 9.852 -9.819 0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.249 -9.757 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.288 -11.129 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.626 -11.580 -0.150 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.811 -12.156 -1.810 1.00 0.00 H new ATOM 428 N LEU A 27 13.776 -4.092 1.146 1.00 0.00 N ATOM 429 CA LEU A 27 14.684 -2.994 0.837 1.00 0.00 C ATOM 430 C LEU A 27 15.326 -2.440 2.101 1.00 0.00 C ATOM 431 O LEU A 27 16.524 -2.166 2.130 1.00 0.00 O ATOM 432 CB LEU A 27 13.943 -1.865 0.123 1.00 0.00 C ATOM 433 CG LEU A 27 13.886 -1.932 -1.411 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.572 -3.333 -1.907 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.843 -0.956 -1.925 1.00 0.00 C ATOM 0 H LEU A 27 12.805 -3.921 0.885 1.00 0.00 H new ATOM 0 HA LEU A 27 15.462 -3.391 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.920 -1.839 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.410 -0.921 0.404 1.00 0.00 H new ATOM 0 HG LEU A 27 14.870 -1.661 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.541 -3.335 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.344 -4.022 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.605 -3.649 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.804 -1.005 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.867 -1.217 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.108 0.055 -1.617 1.00 0.00 H new ATOM 447 N LYS A 28 14.529 -2.286 3.153 1.00 0.00 N ATOM 448 CA LYS A 28 15.014 -1.691 4.388 1.00 0.00 C ATOM 449 C LYS A 28 15.933 -2.653 5.135 1.00 0.00 C ATOM 450 O LYS A 28 16.570 -2.277 6.115 1.00 0.00 O ATOM 451 CB LYS A 28 13.852 -1.266 5.287 1.00 0.00 C ATOM 452 CG LYS A 28 14.229 -0.172 6.274 1.00 0.00 C ATOM 453 CD LYS A 28 14.711 1.074 5.548 1.00 0.00 C ATOM 454 CE LYS A 28 15.118 2.175 6.504 1.00 0.00 C ATOM 455 NZ LYS A 28 16.259 1.775 7.374 1.00 0.00 N ATOM 0 H LYS A 28 13.548 -2.565 3.173 1.00 0.00 H new ATOM 0 HA LYS A 28 15.587 -0.803 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.028 -0.917 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.490 -2.134 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.368 0.075 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.011 -0.533 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.558 0.816 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.920 1.439 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.392 3.064 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.266 2.445 7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.633 2.613 7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.933 1.081 8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.008 1.351 6.791 1.00 0.00 H new ATOM 469 N LYS A 29 15.984 -3.896 4.677 1.00 0.00 N ATOM 470 CA LYS A 29 16.941 -4.859 5.196 1.00 0.00 C ATOM 471 C LYS A 29 18.317 -4.565 4.608 1.00 0.00 C ATOM 472 O LYS A 29 19.337 -4.656 5.292 1.00 0.00 O ATOM 473 CB LYS A 29 16.493 -6.283 4.855 1.00 0.00 C ATOM 474 CG LYS A 29 17.471 -7.363 5.285 1.00 0.00 C ATOM 475 CD LYS A 29 16.914 -8.748 5.004 1.00 0.00 C ATOM 476 CE LYS A 29 17.935 -9.834 5.296 1.00 0.00 C ATOM 477 NZ LYS A 29 19.099 -9.769 4.374 1.00 0.00 N ATOM 0 H LYS A 29 15.373 -4.260 3.946 1.00 0.00 H new ATOM 0 HA LYS A 29 16.996 -4.775 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.529 -6.472 5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.339 -6.356 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.416 -7.234 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.684 -7.262 6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.024 -8.912 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.604 -8.811 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.282 -9.738 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.459 -10.811 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.638 -10.657 4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.763 -9.631 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.712 -8.974 4.644 1.00 0.00 H new ATOM 491 N LEU A 30 18.325 -4.179 3.338 1.00 0.00 N ATOM 492 CA LEU A 30 19.554 -3.789 2.656 1.00 0.00 C ATOM 493 C LEU A 30 19.944 -2.371 3.056 1.00 0.00 C ATOM 494 O LEU A 30 21.124 -2.047 3.168 1.00 0.00 O ATOM 495 CB LEU A 30 19.405 -3.894 1.133 1.00 0.00 C ATOM 496 CG LEU A 30 19.483 -5.314 0.553 1.00 0.00 C ATOM 497 CD1 LEU A 30 18.296 -6.159 0.987 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.571 -5.263 -0.963 1.00 0.00 C ATOM 0 H LEU A 30 17.489 -4.127 2.756 1.00 0.00 H new ATOM 0 HA LEU A 30 20.344 -4.476 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.448 -3.457 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 30 20.182 -3.288 0.668 1.00 0.00 H new ATOM 0 HG LEU A 30 20.386 -5.784 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.384 -7.157 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.279 -6.231 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.373 -5.695 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.626 -6.277 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.687 -4.765 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.463 -4.710 -1.257 1.00 0.00 H new ATOM 510 N VAL A 31 18.939 -1.534 3.284 1.00 0.00 N ATOM 511 CA VAL A 31 19.154 -0.203 3.840 1.00 0.00 C ATOM 512 C VAL A 31 19.033 -0.291 5.364 1.00 0.00 C ATOM 513 O VAL A 31 18.569 0.631 6.047 1.00 0.00 O ATOM 514 CB VAL A 31 18.141 0.830 3.280 1.00 0.00 C ATOM 515 CG1 VAL A 31 18.528 2.250 3.666 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.033 0.714 1.771 1.00 0.00 C ATOM 0 H VAL A 31 17.962 -1.755 3.091 1.00 0.00 H new ATOM 0 HA VAL A 31 20.148 0.141 3.554 1.00 0.00 H new ATOM 0 HB VAL A 31 17.169 0.608 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.798 2.950 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.549 2.339 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.515 2.480 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.317 1.448 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.008 0.899 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.696 -0.288 1.506 1.00 0.00 H new ATOM 526 N GLY A 32 19.432 -1.438 5.882 1.00 0.00 N ATOM 527 CA GLY A 32 19.354 -1.695 7.299 1.00 0.00 C ATOM 528 C GLY A 32 20.620 -2.333 7.822 1.00 0.00 C ATOM 529 O GLY A 32 21.250 -1.817 8.744 1.00 0.00 O ATOM 0 H GLY A 32 19.815 -2.208 5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.172 -0.760 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.506 -2.348 7.504 1.00 0.00 H new ATOM 533 N GLU A 33 20.997 -3.454 7.229 1.00 0.00 N ATOM 534 CA GLU A 33 22.212 -4.148 7.617 1.00 0.00 C ATOM 535 C GLU A 33 23.306 -3.897 6.588 1.00 0.00 C ATOM 536 O GLU A 33 23.994 -2.863 6.694 1.00 0.00 O ATOM 537 CB GLU A 33 21.944 -5.646 7.758 1.00 0.00 C ATOM 538 CG GLU A 33 20.878 -5.973 8.790 1.00 0.00 C ATOM 539 CD GLU A 33 20.623 -7.461 8.916 1.00 0.00 C ATOM 540 OE1 GLU A 33 21.406 -8.138 9.613 1.00 0.00 O ATOM 541 OE2 GLU A 33 19.636 -7.946 8.325 1.00 0.00 O ATOM 542 OXT GLU A 33 23.462 -4.718 5.663 1.00 0.00 O ATOM 0 H GLU A 33 20.477 -3.903 6.475 1.00 0.00 H new ATOM 0 HA GLU A 33 22.545 -3.765 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 33 21.638 -6.046 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 33 22.871 -6.149 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.183 -5.577 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.949 -5.471 8.519 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -23.219 7.301 4.168 1.00 0.00 N ATOM 551 CA GLY B 1 -23.810 5.972 3.891 1.00 0.00 C ATOM 552 C GLY B 1 -23.005 5.186 2.879 1.00 0.00 C ATOM 553 O GLY B 1 -22.540 5.753 1.888 1.00 0.00 O ATOM 0 H1 GLY B 1 -23.928 7.908 4.627 1.00 0.00 H new ATOM 0 H2 GLY B 1 -22.398 7.192 4.797 1.00 0.00 H new ATOM 0 H3 GLY B 1 -22.915 7.739 3.275 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -23.875 5.405 4.820 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.828 6.099 3.523 1.00 0.00 H new ATOM 559 N SER B 2 -22.825 3.892 3.170 1.00 0.00 N ATOM 560 CA SER B 2 -22.173 2.912 2.286 1.00 0.00 C ATOM 561 C SER B 2 -20.975 3.466 1.506 1.00 0.00 C ATOM 562 O SER B 2 -19.841 3.405 1.980 1.00 0.00 O ATOM 563 CB SER B 2 -23.194 2.287 1.325 1.00 0.00 C ATOM 564 OG SER B 2 -23.946 3.281 0.645 1.00 0.00 O ATOM 0 H SER B 2 -23.137 3.484 4.051 1.00 0.00 H new ATOM 0 HA SER B 2 -21.769 2.145 2.947 1.00 0.00 H new ATOM 0 HB2 SER B 2 -22.676 1.661 0.599 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.869 1.637 1.882 1.00 0.00 H new ATOM 0 HG SER B 2 -23.752 3.239 -0.315 1.00 0.00 H new ATOM 570 N MET B 3 -21.247 4.007 0.318 1.00 0.00 N ATOM 571 CA MET B 3 -20.210 4.458 -0.611 1.00 0.00 C ATOM 572 C MET B 3 -19.148 5.312 0.071 1.00 0.00 C ATOM 573 O MET B 3 -17.962 5.064 -0.096 1.00 0.00 O ATOM 574 CB MET B 3 -20.825 5.246 -1.776 1.00 0.00 C ATOM 575 CG MET B 3 -21.389 4.393 -2.909 1.00 0.00 C ATOM 576 SD MET B 3 -22.718 3.282 -2.399 1.00 0.00 S ATOM 577 CE MET B 3 -21.806 1.773 -2.077 1.00 0.00 C ATOM 0 H MET B 3 -22.196 4.145 -0.028 1.00 0.00 H new ATOM 0 HA MET B 3 -19.726 3.559 -0.991 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.623 5.878 -1.386 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.065 5.910 -2.186 1.00 0.00 H new ATOM 0 HG2 MET B 3 -21.760 5.051 -3.695 1.00 0.00 H new ATOM 0 HG3 MET B 3 -20.582 3.803 -3.342 1.00 0.00 H new ATOM 0 HE1 MET B 3 -22.502 0.938 -1.997 1.00 0.00 H new ATOM 0 HE2 MET B 3 -21.109 1.588 -2.894 1.00 0.00 H new ATOM 0 HE3 MET B 3 -21.252 1.875 -1.144 1.00 0.00 H new ATOM 587 N LYS B 4 -19.568 6.284 0.867 1.00 0.00 N ATOM 588 CA LYS B 4 -18.633 7.248 1.446 1.00 0.00 C ATOM 589 C LYS B 4 -17.789 6.634 2.560 1.00 0.00 C ATOM 590 O LYS B 4 -16.762 7.178 2.938 1.00 0.00 O ATOM 591 CB LYS B 4 -19.384 8.463 1.980 1.00 0.00 C ATOM 592 CG LYS B 4 -20.150 9.217 0.909 1.00 0.00 C ATOM 593 CD LYS B 4 -20.912 10.395 1.489 1.00 0.00 C ATOM 594 CE LYS B 4 -21.703 11.121 0.414 1.00 0.00 C ATOM 595 NZ LYS B 4 -22.491 12.252 0.969 1.00 0.00 N ATOM 0 H LYS B 4 -20.543 6.429 1.128 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.958 7.557 0.648 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.080 8.139 2.754 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.674 9.141 2.453 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -19.456 9.572 0.147 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.847 8.540 0.415 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -21.589 10.045 2.269 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -20.214 11.087 1.960 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -21.020 11.495 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -22.375 10.418 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -23.015 12.719 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -23.162 11.893 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -21.848 12.937 1.416 1.00 0.00 H new ATOM 609 N GLN B 5 -18.211 5.494 3.067 1.00 0.00 N ATOM 610 CA GLN B 5 -17.519 4.845 4.173 1.00 0.00 C ATOM 611 C GLN B 5 -16.634 3.746 3.628 1.00 0.00 C ATOM 612 O GLN B 5 -15.505 3.547 4.081 1.00 0.00 O ATOM 613 CB GLN B 5 -18.514 4.268 5.185 1.00 0.00 C ATOM 614 CG GLN B 5 -19.059 5.280 6.186 1.00 0.00 C ATOM 615 CD GLN B 5 -19.752 6.464 5.540 1.00 0.00 C ATOM 616 OE1 GLN B 5 -20.942 6.415 5.244 1.00 0.00 O ATOM 617 NE2 GLN B 5 -19.019 7.547 5.341 1.00 0.00 N ATOM 0 H GLN B 5 -19.033 4.992 2.732 1.00 0.00 H new ATOM 0 HA GLN B 5 -16.911 5.587 4.690 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.350 3.827 4.642 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.028 3.460 5.733 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.761 4.778 6.851 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -18.239 5.644 6.805 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -18.032 7.550 5.600 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -19.440 8.379 4.928 1.00 0.00 H new ATOM 626 N LEU B 6 -17.158 3.048 2.634 1.00 0.00 N ATOM 627 CA LEU B 6 -16.403 2.031 1.933 1.00 0.00 C ATOM 628 C LEU B 6 -15.292 2.694 1.136 1.00 0.00 C ATOM 629 O LEU B 6 -14.137 2.295 1.224 1.00 0.00 O ATOM 630 CB LEU B 6 -17.314 1.214 1.000 1.00 0.00 C ATOM 631 CG LEU B 6 -18.091 0.040 1.631 1.00 0.00 C ATOM 632 CD1 LEU B 6 -17.150 -1.090 2.033 1.00 0.00 C ATOM 633 CD2 LEU B 6 -18.906 0.496 2.832 1.00 0.00 C ATOM 0 H LEU B 6 -18.112 3.171 2.295 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.972 1.345 2.662 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -18.036 1.895 0.550 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.701 0.818 0.190 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.779 -0.336 0.874 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.726 -1.903 2.475 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.623 -1.456 1.152 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.427 -0.720 2.760 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.441 -0.355 3.253 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.240 0.915 3.586 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.622 1.256 2.519 1.00 0.00 H new ATOM 645 N GLU B 7 -15.645 3.736 0.386 1.00 0.00 N ATOM 646 CA GLU B 7 -14.667 4.481 -0.396 1.00 0.00 C ATOM 647 C GLU B 7 -13.659 5.158 0.531 1.00 0.00 C ATOM 648 O GLU B 7 -12.479 5.247 0.196 1.00 0.00 O ATOM 649 CB GLU B 7 -15.358 5.519 -1.292 1.00 0.00 C ATOM 650 CG GLU B 7 -14.632 5.820 -2.603 1.00 0.00 C ATOM 651 CD GLU B 7 -13.294 6.516 -2.421 1.00 0.00 C ATOM 652 OE1 GLU B 7 -13.288 7.738 -2.166 1.00 0.00 O ATOM 653 OE2 GLU B 7 -12.252 5.839 -2.548 1.00 0.00 O ATOM 0 H GLU B 7 -16.601 4.082 0.305 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.136 3.781 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.364 5.167 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -15.466 6.448 -0.731 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -14.474 4.886 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -15.273 6.443 -3.227 1.00 0.00 H new ATOM 660 N ASP B 8 -14.108 5.628 1.702 1.00 0.00 N ATOM 661 CA ASP B 8 -13.167 6.199 2.671 1.00 0.00 C ATOM 662 C ASP B 8 -12.193 5.140 3.175 1.00 0.00 C ATOM 663 O ASP B 8 -11.050 5.444 3.507 1.00 0.00 O ATOM 664 CB ASP B 8 -13.885 6.854 3.851 1.00 0.00 C ATOM 665 CG ASP B 8 -13.898 8.370 3.748 1.00 0.00 C ATOM 666 OD1 ASP B 8 -12.992 9.008 4.322 1.00 0.00 O ATOM 667 OD2 ASP B 8 -14.807 8.920 3.097 1.00 0.00 O ATOM 0 H ASP B 8 -15.085 5.625 1.995 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.608 6.975 2.148 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.910 6.486 3.899 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.397 6.559 4.780 1.00 0.00 H new ATOM 672 N LYS B 9 -12.648 3.895 3.218 1.00 0.00 N ATOM 673 CA LYS B 9 -11.797 2.782 3.620 1.00 0.00 C ATOM 674 C LYS B 9 -10.778 2.487 2.521 1.00 0.00 C ATOM 675 O LYS B 9 -9.594 2.274 2.795 1.00 0.00 O ATOM 676 CB LYS B 9 -12.653 1.541 3.905 1.00 0.00 C ATOM 677 CG LYS B 9 -11.880 0.366 4.487 1.00 0.00 C ATOM 678 CD LYS B 9 -11.327 0.683 5.868 1.00 0.00 C ATOM 679 CE LYS B 9 -10.679 -0.537 6.504 1.00 0.00 C ATOM 680 NZ LYS B 9 -9.546 -1.056 5.693 1.00 0.00 N ATOM 0 H LYS B 9 -13.603 3.630 2.979 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.263 3.050 4.531 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.450 1.815 4.597 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -13.131 1.223 2.978 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -12.533 -0.505 4.548 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -11.060 0.103 3.819 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -10.595 1.487 5.792 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -12.131 1.044 6.509 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -10.322 -0.279 7.501 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -11.426 -1.321 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -9.050 -1.799 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -9.909 -1.452 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -8.885 -0.281 5.483 1.00 0.00 H new ATOM 694 N VAL B 10 -11.251 2.495 1.277 1.00 0.00 N ATOM 695 CA VAL B 10 -10.394 2.270 0.116 1.00 0.00 C ATOM 696 C VAL B 10 -9.330 3.366 0.020 1.00 0.00 C ATOM 697 O VAL B 10 -8.137 3.090 -0.103 1.00 0.00 O ATOM 698 CB VAL B 10 -11.199 2.268 -1.208 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.360 1.719 -2.340 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.486 1.477 -1.098 1.00 0.00 C ATOM 0 H VAL B 10 -12.231 2.656 1.046 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.932 1.293 0.254 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.462 3.305 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.943 1.726 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.472 2.338 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.060 0.697 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.014 1.506 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.257 0.443 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.115 1.912 -0.322 1.00 0.00 H new ATOM 710 N GLU B 11 -9.781 4.614 0.096 1.00 0.00 N ATOM 711 CA GLU B 11 -8.908 5.777 -0.046 1.00 0.00 C ATOM 712 C GLU B 11 -7.875 5.842 1.085 1.00 0.00 C ATOM 713 O GLU B 11 -6.768 6.349 0.896 1.00 0.00 O ATOM 714 CB GLU B 11 -9.762 7.053 -0.067 1.00 0.00 C ATOM 715 CG GLU B 11 -8.972 8.354 -0.132 1.00 0.00 C ATOM 716 CD GLU B 11 -8.177 8.508 -1.412 1.00 0.00 C ATOM 717 OE1 GLU B 11 -6.937 8.372 -1.359 1.00 0.00 O ATOM 718 OE2 GLU B 11 -8.794 8.762 -2.468 1.00 0.00 O ATOM 0 H GLU B 11 -10.760 4.849 0.258 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.360 5.689 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.433 7.009 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -10.387 7.069 0.826 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -9.660 9.194 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -8.292 8.401 0.718 1.00 0.00 H new ATOM 725 N GLU B 12 -8.231 5.321 2.251 1.00 0.00 N ATOM 726 CA GLU B 12 -7.317 5.299 3.381 1.00 0.00 C ATOM 727 C GLU B 12 -6.191 4.308 3.112 1.00 0.00 C ATOM 728 O GLU B 12 -5.028 4.569 3.420 1.00 0.00 O ATOM 729 CB GLU B 12 -8.055 4.941 4.672 1.00 0.00 C ATOM 730 CG GLU B 12 -7.198 5.092 5.918 1.00 0.00 C ATOM 731 CD GLU B 12 -7.972 4.843 7.196 1.00 0.00 C ATOM 732 OE1 GLU B 12 -7.925 3.707 7.707 1.00 0.00 O ATOM 733 OE2 GLU B 12 -8.626 5.788 7.685 1.00 0.00 O ATOM 0 H GLU B 12 -9.145 4.909 2.438 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.891 6.294 3.507 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -8.936 5.576 4.767 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.409 3.912 4.606 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -6.361 4.396 5.864 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -6.776 6.097 5.944 1.00 0.00 H new ATOM 740 N LEU B 13 -6.538 3.178 2.506 1.00 0.00 N ATOM 741 CA LEU B 13 -5.532 2.219 2.076 1.00 0.00 C ATOM 742 C LEU B 13 -4.725 2.801 0.930 1.00 0.00 C ATOM 743 O LEU B 13 -3.547 2.501 0.775 1.00 0.00 O ATOM 744 CB LEU B 13 -6.163 0.896 1.647 1.00 0.00 C ATOM 745 CG LEU B 13 -6.776 0.063 2.772 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.206 -1.287 2.238 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.792 -0.113 3.918 1.00 0.00 C ATOM 0 H LEU B 13 -7.500 2.907 2.303 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.877 2.017 2.923 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.938 1.106 0.910 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.402 0.296 1.148 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.649 0.591 3.155 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.642 -1.876 3.045 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.946 -1.148 1.450 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.340 -1.811 1.834 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.253 -0.709 4.705 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.898 -0.620 3.555 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.519 0.864 4.316 1.00 0.00 H new ATOM 759 N LEU B 14 -5.375 3.642 0.136 1.00 0.00 N ATOM 760 CA LEU B 14 -4.718 4.349 -0.955 1.00 0.00 C ATOM 761 C LEU B 14 -3.675 5.315 -0.399 1.00 0.00 C ATOM 762 O LEU B 14 -2.690 5.644 -1.061 1.00 0.00 O ATOM 763 CB LEU B 14 -5.750 5.137 -1.763 1.00 0.00 C ATOM 764 CG LEU B 14 -5.377 5.400 -3.224 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.501 4.130 -4.046 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.251 6.494 -3.809 1.00 0.00 C ATOM 0 H LEU B 14 -6.369 3.853 0.230 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.230 3.618 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.696 4.596 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -5.918 6.095 -1.270 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.339 5.731 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.231 4.339 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.832 3.369 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.529 3.769 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.971 6.667 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.296 6.189 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.114 7.413 -3.239 1.00 0.00 H new ATOM 778 N SER B 15 -3.910 5.761 0.827 1.00 0.00 N ATOM 779 CA SER B 15 -3.036 6.716 1.485 1.00 0.00 C ATOM 780 C SER B 15 -1.766 6.029 1.977 1.00 0.00 C ATOM 781 O SER B 15 -0.661 6.542 1.792 1.00 0.00 O ATOM 782 CB SER B 15 -3.771 7.382 2.647 1.00 0.00 C ATOM 783 OG SER B 15 -4.982 7.980 2.206 1.00 0.00 O ATOM 0 H SER B 15 -4.710 5.471 1.390 1.00 0.00 H new ATOM 0 HA SER B 15 -2.750 7.483 0.766 1.00 0.00 H new ATOM 0 HB2 SER B 15 -3.986 6.642 3.418 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.131 8.139 3.101 1.00 0.00 H new ATOM 0 HG SER B 15 -5.593 7.284 1.885 1.00 0.00 H new ATOM 789 N LYS B 16 -1.915 4.861 2.593 1.00 0.00 N ATOM 790 CA LYS B 16 -0.748 4.097 3.010 1.00 0.00 C ATOM 791 C LYS B 16 -0.074 3.469 1.801 1.00 0.00 C ATOM 792 O LYS B 16 1.140 3.327 1.781 1.00 0.00 O ATOM 793 CB LYS B 16 -1.080 3.031 4.059 1.00 0.00 C ATOM 794 CG LYS B 16 -2.099 1.994 3.617 1.00 0.00 C ATOM 795 CD LYS B 16 -2.372 0.950 4.696 1.00 0.00 C ATOM 796 CE LYS B 16 -1.172 0.042 4.955 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.188 0.641 5.901 1.00 0.00 N ATOM 0 H LYS B 16 -2.814 4.430 2.811 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.060 4.796 3.485 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.160 2.518 4.339 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.453 3.527 4.955 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -3.031 2.494 3.355 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.740 1.496 2.716 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.647 1.454 5.622 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -3.226 0.341 4.399 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.522 -0.909 5.356 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.675 -0.174 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.714 0.800 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -0.554 1.548 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.036 -0.007 6.700 1.00 0.00 H new ATOM 811 N ASN B 17 -0.864 3.111 0.791 1.00 0.00 N ATOM 812 CA ASN B 17 -0.319 2.682 -0.497 1.00 0.00 C ATOM 813 C ASN B 17 0.588 3.767 -1.047 1.00 0.00 C ATOM 814 O ASN B 17 1.644 3.487 -1.611 1.00 0.00 O ATOM 815 CB ASN B 17 -1.443 2.394 -1.496 1.00 0.00 C ATOM 816 CG ASN B 17 -1.782 0.921 -1.590 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.907 0.065 -1.519 1.00 0.00 O ATOM 818 ND2 ASN B 17 -3.060 0.611 -1.741 1.00 0.00 N ATOM 0 H ASN B 17 -1.883 3.109 0.839 1.00 0.00 H new ATOM 0 HA ASN B 17 0.250 1.765 -0.347 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.334 2.949 -1.203 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.150 2.758 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.344 -0.367 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.761 1.350 -1.796 1.00 0.00 H new ATOM 825 N TYR B 18 0.173 5.016 -0.862 1.00 0.00 N ATOM 826 CA TYR B 18 1.001 6.146 -1.249 1.00 0.00 C ATOM 827 C TYR B 18 2.298 6.151 -0.440 1.00 0.00 C ATOM 828 O TYR B 18 3.384 6.293 -0.999 1.00 0.00 O ATOM 829 CB TYR B 18 0.239 7.462 -1.053 1.00 0.00 C ATOM 830 CG TYR B 18 1.052 8.694 -1.387 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.341 9.021 -2.706 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.534 9.525 -0.384 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.089 10.140 -3.015 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.280 10.648 -0.686 1.00 0.00 C ATOM 835 CZ TYR B 18 2.556 10.949 -2.003 1.00 0.00 C ATOM 836 OH TYR B 18 3.307 12.061 -2.308 1.00 0.00 O ATOM 0 H TYR B 18 -0.725 5.267 -0.449 1.00 0.00 H new ATOM 0 HA TYR B 18 1.251 6.050 -2.306 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.656 7.449 -1.675 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.094 7.528 -0.017 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.975 8.390 -3.502 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.322 9.290 0.649 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.307 10.380 -4.045 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.645 11.286 0.105 1.00 0.00 H new ATOM 0 HH TYR B 18 3.557 12.524 -1.481 1.00 0.00 H new ATOM 846 N HIS B 19 2.174 5.962 0.872 1.00 0.00 N ATOM 847 CA HIS B 19 3.330 5.977 1.770 1.00 0.00 C ATOM 848 C HIS B 19 4.286 4.822 1.490 1.00 0.00 C ATOM 849 O HIS B 19 5.488 5.037 1.359 1.00 0.00 O ATOM 850 CB HIS B 19 2.890 5.934 3.234 1.00 0.00 C ATOM 851 CG HIS B 19 2.519 7.272 3.793 1.00 0.00 C ATOM 852 ND1 HIS B 19 3.378 8.030 4.562 1.00 0.00 N ATOM 853 CD2 HIS B 19 1.375 7.988 3.697 1.00 0.00 C ATOM 854 CE1 HIS B 19 2.778 9.150 4.912 1.00 0.00 C ATOM 855 NE2 HIS B 19 1.563 9.150 4.400 1.00 0.00 N ATOM 0 H HIS B 19 1.283 5.796 1.339 1.00 0.00 H new ATOM 0 HA HIS B 19 3.859 6.911 1.582 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.037 5.262 3.328 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.696 5.511 3.834 1.00 0.00 H new ATOM 0 HD2 HIS B 19 0.481 7.698 3.166 1.00 0.00 H new ATOM 0 HE1 HIS B 19 3.209 9.935 5.516 1.00 0.00 H new ATOM 0 HE2 HIS B 19 0.874 9.894 4.509 1.00 0.00 H new ATOM 864 N LEU B 20 3.754 3.606 1.415 1.00 0.00 N ATOM 865 CA LEU B 20 4.571 2.421 1.150 1.00 0.00 C ATOM 866 C LEU B 20 5.331 2.591 -0.142 1.00 0.00 C ATOM 867 O LEU B 20 6.551 2.482 -0.176 1.00 0.00 O ATOM 868 CB LEU B 20 3.707 1.165 1.032 1.00 0.00 C ATOM 869 CG LEU B 20 2.758 0.906 2.183 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.157 -0.481 2.089 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.448 1.104 3.524 1.00 0.00 C ATOM 0 H LEU B 20 2.760 3.413 1.534 1.00 0.00 H new ATOM 0 HA LEU B 20 5.260 2.309 1.987 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.124 1.233 0.114 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.366 0.303 0.928 1.00 0.00 H new ATOM 0 HG LEU B 20 1.949 1.633 2.113 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.479 -0.641 2.927 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.606 -0.576 1.154 1.00 0.00 H new ATOM 0 HD13 LEU B 20 2.953 -1.225 2.118 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.740 0.911 4.330 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.288 0.415 3.606 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.811 2.129 3.599 1.00 0.00 H new ATOM 883 N GLU B 21 4.592 2.873 -1.200 1.00 0.00 N ATOM 884 CA GLU B 21 5.177 3.012 -2.528 1.00 0.00 C ATOM 885 C GLU B 21 6.245 4.108 -2.539 1.00 0.00 C ATOM 886 O GLU B 21 7.300 3.945 -3.153 1.00 0.00 O ATOM 887 CB GLU B 21 4.094 3.317 -3.561 1.00 0.00 C ATOM 888 CG GLU B 21 4.274 2.578 -4.878 1.00 0.00 C ATOM 889 CD GLU B 21 5.574 2.925 -5.579 1.00 0.00 C ATOM 890 OE1 GLU B 21 5.625 3.980 -6.246 1.00 0.00 O ATOM 891 OE2 GLU B 21 6.541 2.142 -5.461 1.00 0.00 O ATOM 0 H GLU B 21 3.582 3.011 -1.168 1.00 0.00 H new ATOM 0 HA GLU B 21 5.652 2.067 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.122 3.059 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.083 4.389 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.243 1.504 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.438 2.813 -5.537 1.00 0.00 H new ATOM 898 N ASN B 22 5.968 5.217 -1.861 1.00 0.00 N ATOM 899 CA ASN B 22 6.946 6.296 -1.730 1.00 0.00 C ATOM 900 C ASN B 22 8.153 5.831 -0.931 1.00 0.00 C ATOM 901 O ASN B 22 9.293 6.157 -1.262 1.00 0.00 O ATOM 902 CB ASN B 22 6.328 7.528 -1.061 1.00 0.00 C ATOM 903 CG ASN B 22 5.593 8.425 -2.038 1.00 0.00 C ATOM 904 OD1 ASN B 22 5.072 7.968 -3.058 1.00 0.00 O ATOM 905 ND2 ASN B 22 5.541 9.713 -1.731 1.00 0.00 N ATOM 0 H ASN B 22 5.078 5.394 -1.395 1.00 0.00 H new ATOM 0 HA ASN B 22 7.266 6.572 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.637 7.204 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.114 8.101 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN B 22 5.057 10.365 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN B 22 5.985 10.052 -0.878 1.00 0.00 H new ATOM 912 N GLU B 23 7.898 5.054 0.115 1.00 0.00 N ATOM 913 CA GLU B 23 8.968 4.532 0.952 1.00 0.00 C ATOM 914 C GLU B 23 9.839 3.575 0.143 1.00 0.00 C ATOM 915 O GLU B 23 11.066 3.604 0.245 1.00 0.00 O ATOM 916 CB GLU B 23 8.389 3.820 2.179 1.00 0.00 C ATOM 917 CG GLU B 23 9.420 3.499 3.250 1.00 0.00 C ATOM 918 CD GLU B 23 10.004 4.743 3.897 1.00 0.00 C ATOM 919 OE1 GLU B 23 10.997 5.277 3.365 1.00 0.00 O ATOM 920 OE2 GLU B 23 9.466 5.179 4.937 1.00 0.00 O ATOM 0 H GLU B 23 6.961 4.773 0.402 1.00 0.00 H new ATOM 0 HA GLU B 23 9.583 5.363 1.297 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.609 4.445 2.615 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.913 2.894 1.858 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.958 2.878 4.018 1.00 0.00 H new ATOM 0 HG3 GLU B 23 10.226 2.913 2.808 1.00 0.00 H new ATOM 927 N VAL B 24 9.190 2.744 -0.671 1.00 0.00 N ATOM 928 CA VAL B 24 9.895 1.821 -1.553 1.00 0.00 C ATOM 929 C VAL B 24 10.807 2.590 -2.504 1.00 0.00 C ATOM 930 O VAL B 24 11.969 2.238 -2.684 1.00 0.00 O ATOM 931 CB VAL B 24 8.924 0.955 -2.397 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.698 -0.001 -3.289 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.969 0.175 -1.515 1.00 0.00 C ATOM 0 H VAL B 24 8.173 2.693 -0.736 1.00 0.00 H new ATOM 0 HA VAL B 24 10.479 1.161 -0.911 1.00 0.00 H new ATOM 0 HB VAL B 24 8.339 1.632 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.999 -0.600 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.339 0.568 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.311 -0.658 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.303 -0.421 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.537 -0.484 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.380 0.868 -0.914 1.00 0.00 H new ATOM 943 N ALA B 25 10.266 3.652 -3.098 1.00 0.00 N ATOM 944 CA ALA B 25 11.007 4.466 -4.056 1.00 0.00 C ATOM 945 C ALA B 25 12.268 5.050 -3.426 1.00 0.00 C ATOM 946 O ALA B 25 13.341 5.040 -4.035 1.00 0.00 O ATOM 947 CB ALA B 25 10.119 5.581 -4.597 1.00 0.00 C ATOM 0 H ALA B 25 9.311 3.969 -2.930 1.00 0.00 H new ATOM 0 HA ALA B 25 11.312 3.823 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.683 6.181 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.252 5.147 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.787 6.213 -3.774 1.00 0.00 H new ATOM 953 N ARG B 26 12.132 5.547 -2.201 1.00 0.00 N ATOM 954 CA ARG B 26 13.259 6.119 -1.474 1.00 0.00 C ATOM 955 C ARG B 26 14.300 5.048 -1.168 1.00 0.00 C ATOM 956 O ARG B 26 15.490 5.226 -1.434 1.00 0.00 O ATOM 957 CB ARG B 26 12.780 6.766 -0.174 1.00 0.00 C ATOM 958 CG ARG B 26 11.803 7.910 -0.385 1.00 0.00 C ATOM 959 CD ARG B 26 11.340 8.494 0.938 1.00 0.00 C ATOM 960 NE ARG B 26 10.374 9.574 0.753 1.00 0.00 N ATOM 961 CZ ARG B 26 10.003 10.413 1.716 1.00 0.00 C ATOM 962 NH1 ARG B 26 10.530 10.310 2.931 1.00 0.00 N ATOM 963 NH2 ARG B 26 9.111 11.361 1.463 1.00 0.00 N ATOM 0 H ARG B 26 11.250 5.565 -1.690 1.00 0.00 H new ATOM 0 HA ARG B 26 13.718 6.883 -2.102 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.307 6.006 0.447 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.644 7.135 0.378 1.00 0.00 H new ATOM 0 HG2 ARG B 26 12.276 8.689 -0.983 1.00 0.00 H new ATOM 0 HG3 ARG B 26 10.941 7.555 -0.949 1.00 0.00 H new ATOM 0 HD2 ARG B 26 10.892 7.707 1.544 1.00 0.00 H new ATOM 0 HD3 ARG B 26 12.202 8.869 1.490 1.00 0.00 H new ATOM 0 HE ARG B 26 9.959 9.692 -0.171 1.00 0.00 H new ATOM 0 HH11 ARG B 26 11.221 9.586 3.127 1.00 0.00 H new ATOM 0 HH12 ARG B 26 10.244 10.955 3.668 1.00 0.00 H new ATOM 0 HH21 ARG B 26 8.709 11.447 0.529 1.00 0.00 H new ATOM 0 HH22 ARG B 26 8.827 12.004 2.202 1.00 0.00 H new ATOM 977 N LEU B 27 13.841 3.930 -0.626 1.00 0.00 N ATOM 978 CA LEU B 27 14.726 2.822 -0.290 1.00 0.00 C ATOM 979 C LEU B 27 15.414 2.274 -1.532 1.00 0.00 C ATOM 980 O LEU B 27 16.611 1.993 -1.515 1.00 0.00 O ATOM 981 CB LEU B 27 13.949 1.693 0.383 1.00 0.00 C ATOM 982 CG LEU B 27 13.826 1.751 1.914 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.503 3.152 2.404 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.757 0.779 2.376 1.00 0.00 C ATOM 0 H LEU B 27 12.858 3.765 -0.409 1.00 0.00 H new ATOM 0 HA LEU B 27 15.479 3.207 0.397 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.944 1.675 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.423 0.749 0.116 1.00 0.00 H new ATOM 0 HG LEU B 27 14.790 1.470 2.339 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.425 3.148 3.491 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.295 3.836 2.100 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.557 3.479 1.973 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.671 0.822 3.462 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.801 1.048 1.926 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.029 -0.232 2.073 1.00 0.00 H new ATOM 996 N LYS B 28 14.659 2.134 -2.615 1.00 0.00 N ATOM 997 CA LYS B 28 15.187 1.547 -3.836 1.00 0.00 C ATOM 998 C LYS B 28 16.144 2.510 -4.535 1.00 0.00 C ATOM 999 O LYS B 28 16.819 2.141 -5.493 1.00 0.00 O ATOM 1000 CB LYS B 28 14.058 1.141 -4.787 1.00 0.00 C ATOM 1001 CG LYS B 28 14.467 0.054 -5.770 1.00 0.00 C ATOM 1002 CD LYS B 28 14.909 -1.202 -5.034 1.00 0.00 C ATOM 1003 CE LYS B 28 15.349 -2.302 -5.980 1.00 0.00 C ATOM 1004 NZ LYS B 28 16.523 -1.905 -6.804 1.00 0.00 N ATOM 0 H LYS B 28 13.681 2.419 -2.671 1.00 0.00 H new ATOM 0 HA LYS B 28 15.740 0.650 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.207 0.792 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.726 2.018 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.631 -0.180 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.279 0.415 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS B 28 15.730 -0.955 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.088 -1.565 -4.416 1.00 0.00 H new ATOM 0 HE2 LYS B 28 15.597 -3.194 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS B 28 14.520 -2.566 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 16.901 -2.740 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 16.231 -1.194 -7.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 17.259 -1.502 -6.189 1.00 0.00 H new ATOM 1018 N LYS B 29 16.186 3.746 -4.062 1.00 0.00 N ATOM 1019 CA LYS B 29 17.171 4.706 -4.534 1.00 0.00 C ATOM 1020 C LYS B 29 18.520 4.394 -3.897 1.00 0.00 C ATOM 1021 O LYS B 29 19.567 4.480 -4.542 1.00 0.00 O ATOM 1022 CB LYS B 29 16.725 6.131 -4.197 1.00 0.00 C ATOM 1023 CG LYS B 29 17.729 7.204 -4.580 1.00 0.00 C ATOM 1024 CD LYS B 29 17.175 8.593 -4.313 1.00 0.00 C ATOM 1025 CE LYS B 29 18.216 9.671 -4.560 1.00 0.00 C ATOM 1026 NZ LYS B 29 19.347 9.584 -3.599 1.00 0.00 N ATOM 0 H LYS B 29 15.549 4.108 -3.352 1.00 0.00 H new ATOM 0 HA LYS B 29 17.265 4.632 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.782 6.334 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.532 6.196 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS B 29 18.650 7.062 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS B 29 17.984 7.108 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.310 8.769 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.826 8.654 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS B 29 18.597 9.581 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS B 29 17.748 10.652 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 19.897 10.466 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 18.976 9.440 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 19.960 8.785 -3.856 1.00 0.00 H new ATOM 1040 N LEU B 30 18.474 3.997 -2.631 1.00 0.00 N ATOM 1041 CA LEU B 30 19.673 3.590 -1.906 1.00 0.00 C ATOM 1042 C LEU B 30 20.068 2.171 -2.301 1.00 0.00 C ATOM 1043 O LEU B 30 21.250 1.835 -2.366 1.00 0.00 O ATOM 1044 CB LEU B 30 19.464 3.682 -0.388 1.00 0.00 C ATOM 1045 CG LEU B 30 19.530 5.096 0.208 1.00 0.00 C ATOM 1046 CD1 LEU B 30 18.369 5.954 -0.265 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.553 5.030 1.725 1.00 0.00 C ATOM 0 H LEU B 30 17.615 3.948 -2.083 1.00 0.00 H new ATOM 0 HA LEU B 30 20.479 4.273 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.493 3.251 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU B 30 20.217 3.065 0.102 1.00 0.00 H new ATOM 0 HG LEU B 30 20.452 5.561 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU B 30 18.447 6.948 0.176 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.396 6.036 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.429 5.495 0.041 1.00 0.00 H new ATOM 0 HD21 LEU B 30 19.600 6.040 2.132 1.00 0.00 H new ATOM 0 HD22 LEU B 30 18.649 4.536 2.081 1.00 0.00 H new ATOM 0 HD23 LEU B 30 20.427 4.466 2.051 1.00 0.00 H new ATOM 1059 N VAL B 31 19.066 1.343 -2.574 1.00 0.00 N ATOM 1060 CA VAL B 31 19.291 0.014 -3.133 1.00 0.00 C ATOM 1061 C VAL B 31 19.230 0.117 -4.659 1.00 0.00 C ATOM 1062 O VAL B 31 18.781 -0.793 -5.364 1.00 0.00 O ATOM 1063 CB VAL B 31 18.247 -1.015 -2.625 1.00 0.00 C ATOM 1064 CG1 VAL B 31 18.638 -2.437 -3.005 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.077 -0.909 -1.121 1.00 0.00 C ATOM 0 H VAL B 31 18.084 1.570 -2.416 1.00 0.00 H new ATOM 0 HA VAL B 31 20.269 -0.341 -2.810 1.00 0.00 H new ATOM 0 HB VAL B 31 17.297 -0.782 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL B 31 17.885 -3.133 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL B 31 18.704 -2.519 -4.090 1.00 0.00 H new ATOM 0 HG13 VAL B 31 19.605 -2.679 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.341 -1.639 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL B 31 19.031 -1.105 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.737 0.094 -0.863 1.00 0.00 H new ATOM 1075 N GLY B 32 19.662 1.265 -5.152 1.00 0.00 N ATOM 1076 CA GLY B 32 19.643 1.534 -6.570 1.00 0.00 C ATOM 1077 C GLY B 32 20.933 2.167 -7.038 1.00 0.00 C ATOM 1078 O GLY B 32 21.590 1.661 -7.948 1.00 0.00 O ATOM 0 H GLY B 32 20.031 2.027 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.476 0.604 -7.114 1.00 0.00 H new ATOM 0 HA3 GLY B 32 18.808 2.195 -6.804 1.00 0.00 H new ATOM 1082 N GLU B 33 21.299 3.276 -6.412 1.00 0.00 N ATOM 1083 CA GLU B 33 22.534 3.965 -6.743 1.00 0.00 C ATOM 1084 C GLU B 33 23.586 3.702 -5.672 1.00 0.00 C ATOM 1085 O GLU B 33 24.278 2.667 -5.757 1.00 0.00 O ATOM 1086 CB GLU B 33 22.282 5.469 -6.883 1.00 0.00 C ATOM 1087 CG GLU B 33 21.261 5.818 -7.955 1.00 0.00 C ATOM 1088 CD GLU B 33 21.025 7.309 -8.076 1.00 0.00 C ATOM 1089 OE1 GLU B 33 21.851 7.990 -8.719 1.00 0.00 O ATOM 1090 OE2 GLU B 33 20.011 7.794 -7.533 1.00 0.00 O ATOM 1091 OXT GLU B 33 23.711 4.521 -4.738 1.00 0.00 O ATOM 0 H GLU B 33 20.755 3.718 -5.670 1.00 0.00 H new ATOM 0 HA GLU B 33 22.903 3.585 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU B 33 21.940 5.862 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU B 33 23.224 5.967 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU B 33 21.601 5.429 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU B 33 20.317 5.323 -7.727 1.00 0.00 H new TER 1098 GLU B 33