USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 993 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 82 CYS SG : rot 180:sc= -0.0516 USER MOD Set 1.2: A 100 HIS : no HE2:sc= 0.69 K(o=0.64,f=-2!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -124:sc= 0.231 (180deg=0) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0.221 USER MOD Set 3.1: A 10 CYS SG : rot 19:sc= -2.44 USER MOD Set 3.2: A 13 ASN : amide:sc= 0.46 K(o=9.5,f=1.2!) USER MOD Set 3.3: A 17 SER OG : rot -88:sc= 0.579 USER MOD Set 3.4: A 18 GLN : amide:sc= 1.88 K(o=9.5,f=-4.7!) USER MOD Set 3.5: A 25 LYS NZ :NH3+ -164:sc= 2.33 (180deg=-0.183) USER MOD Set 3.6: A 36 SER OG : rot -99:sc= 1.59 USER MOD Set 3.7: A 61 ASN : amide:sc= 1.71 K(o=9.5,f=1.5!) USER MOD Set 3.8: A 62 GLN : amide:sc= 2.1 K(o=9.5,f=-4.2!) USER MOD Set 3.9: A 64 SER OG : rot -108:sc= 1.32 USER MOD Single : A 3 ASN : amide:sc= 0.253 X(o=0.25,f=-0.24) USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.13) USER MOD Single : A 7 TYR OH : rot 30:sc= 0.272 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.942 USER MOD Single : A 14 SER OG : rot -84:sc= 1.2 USER MOD Single : A 15 CYS SG : rot 140:sc= -0.26 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.864 K(o=0.86,f=-0.014) USER MOD Single : A 27 TYR OH : rot 132:sc= 0.271 USER MOD Single : A 42 HIS : no HE2:sc= 0.809 K(o=0.81,f=-2.8!) USER MOD Single : A 45 ASN : amide:sc= 0.684 K(o=0.68,f=-7.4!) USER MOD Single : A 47 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.98) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -130:sc= -1.76 (180deg=-2.19) USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= 1.29 (180deg=0.966) USER MOD Single : A 60 SER OG : rot 104:sc= 1.26 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00789 USER MOD Single : A 73 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 74 ASN : amide:sc= 0.341 X(o=0.34,f=-0.16) USER MOD Single : A 80 THR OG1 : rot 120:sc= 0.464 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 130:sc= 1 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 2.01 (180deg=1.95) USER MOD Single : A 110 GLN : amide:sc= 0.808 K(o=0.81,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00839 USER MOD Single : A 116 LYS NZ :NH3+ -167:sc= 0.808 (180deg=0.7) USER MOD Single : A 121 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.082) USER MOD Single : A 129 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot -28:sc= 0.799 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 3 6.273 3.487 -2.841 1.00 0.00 N ATOM 36 CA ASN A 3 6.440 3.598 -4.286 1.00 0.00 C ATOM 37 C ASN A 3 7.925 3.384 -4.556 1.00 0.00 C ATOM 38 O ASN A 3 8.760 3.903 -3.808 1.00 0.00 O ATOM 39 CB ASN A 3 5.993 4.990 -4.759 1.00 0.00 C ATOM 40 CG ASN A 3 5.749 5.040 -6.257 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.612 4.948 -6.704 1.00 0.00 O ATOM 42 ND2 ASN A 3 6.782 5.203 -7.065 1.00 0.00 N ATOM 0 HA ASN A 3 5.836 2.866 -4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.080 5.273 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.754 5.723 -4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.638 5.254 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.724 5.278 -6.680 1.00 0.00 H new ATOM 49 N LYS A 4 8.273 2.606 -5.580 1.00 0.00 N ATOM 50 CA LYS A 4 9.668 2.298 -5.895 1.00 0.00 C ATOM 51 C LYS A 4 10.311 3.488 -6.598 1.00 0.00 C ATOM 52 O LYS A 4 9.632 4.473 -6.896 1.00 0.00 O ATOM 53 CB LYS A 4 9.742 1.018 -6.751 1.00 0.00 C ATOM 54 CG LYS A 4 8.969 -0.204 -6.224 1.00 0.00 C ATOM 55 CD LYS A 4 9.449 -0.704 -4.855 1.00 0.00 C ATOM 56 CE LYS A 4 10.930 -1.117 -4.817 1.00 0.00 C ATOM 57 NZ LYS A 4 11.257 -2.240 -5.731 1.00 0.00 N ATOM 0 H LYS A 4 7.600 2.173 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 4 10.223 2.113 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.371 1.252 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.790 0.739 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.911 0.050 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.056 -1.015 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.283 0.080 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.838 -1.556 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.546 -0.256 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.194 -1.400 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.278 -2.433 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.733 -3.089 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.989 -1.986 -6.703 1.00 0.00 H new ATOM 71 N ILE A 5 11.598 3.379 -6.921 1.00 0.00 N ATOM 72 CA ILE A 5 12.357 4.330 -7.723 1.00 0.00 C ATOM 73 C ILE A 5 13.289 3.479 -8.590 1.00 0.00 C ATOM 74 O ILE A 5 13.852 2.507 -8.081 1.00 0.00 O ATOM 75 CB ILE A 5 13.168 5.294 -6.819 1.00 0.00 C ATOM 76 CG1 ILE A 5 12.365 6.027 -5.718 1.00 0.00 C ATOM 77 CG2 ILE A 5 13.894 6.350 -7.677 1.00 0.00 C ATOM 78 CD1 ILE A 5 12.362 5.272 -4.383 1.00 0.00 C ATOM 0 H ILE A 5 12.164 2.588 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 5 11.704 4.957 -8.329 1.00 0.00 H new ATOM 0 HB ILE A 5 13.865 4.639 -6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.787 7.021 -5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.338 6.165 -6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.459 7.020 -7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.575 5.852 -8.367 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.161 6.926 -8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.784 5.833 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.914 4.288 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 5 13.386 5.157 -4.028 1.00 0.00 H new ATOM 90 N ILE A 6 13.492 3.841 -9.858 1.00 0.00 N ATOM 91 CA ILE A 6 14.384 3.130 -10.774 1.00 0.00 C ATOM 92 C ILE A 6 15.089 4.141 -11.681 1.00 0.00 C ATOM 93 O ILE A 6 14.547 5.216 -11.952 1.00 0.00 O ATOM 94 CB ILE A 6 13.605 2.042 -11.553 1.00 0.00 C ATOM 95 CG1 ILE A 6 14.562 1.211 -12.438 1.00 0.00 C ATOM 96 CG2 ILE A 6 12.445 2.630 -12.380 1.00 0.00 C ATOM 97 CD1 ILE A 6 13.930 -0.055 -13.015 1.00 0.00 C ATOM 0 H ILE A 6 13.035 4.648 -10.283 1.00 0.00 H new ATOM 0 HA ILE A 6 15.158 2.603 -10.216 1.00 0.00 H new ATOM 0 HB ILE A 6 13.155 1.377 -10.816 1.00 0.00 H new ATOM 0 HG12 ILE A 6 14.916 1.835 -13.259 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.436 0.933 -11.849 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.930 1.827 -12.907 1.00 0.00 H new ATOM 0 HG22 ILE A 6 11.744 3.135 -11.716 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.839 3.344 -13.103 1.00 0.00 H new ATOM 0 HD11 ILE A 6 14.664 -0.583 -13.624 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.601 -0.701 -12.201 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.073 0.215 -13.632 1.00 0.00 H new ATOM 109 N TYR A 7 16.291 3.801 -12.150 1.00 0.00 N ATOM 110 CA TYR A 7 17.186 4.717 -12.841 1.00 0.00 C ATOM 111 C TYR A 7 17.903 3.964 -13.965 1.00 0.00 C ATOM 112 O TYR A 7 18.377 2.847 -13.754 1.00 0.00 O ATOM 113 CB TYR A 7 18.162 5.228 -11.773 1.00 0.00 C ATOM 114 CG TYR A 7 18.956 6.499 -11.992 1.00 0.00 C ATOM 115 CD1 TYR A 7 18.566 7.502 -12.905 1.00 0.00 C ATOM 116 CD2 TYR A 7 20.014 6.747 -11.096 1.00 0.00 C ATOM 117 CE1 TYR A 7 19.200 8.760 -12.885 1.00 0.00 C ATOM 118 CE2 TYR A 7 20.641 7.999 -11.070 1.00 0.00 C ATOM 119 CZ TYR A 7 20.226 9.018 -11.949 1.00 0.00 C ATOM 120 OH TYR A 7 20.777 10.255 -11.822 1.00 0.00 O ATOM 0 H TYR A 7 16.673 2.860 -12.055 1.00 0.00 H new ATOM 0 HA TYR A 7 16.666 5.555 -13.305 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.590 5.362 -10.855 1.00 0.00 H new ATOM 0 HB3 TYR A 7 18.881 4.430 -11.588 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.781 7.305 -13.620 1.00 0.00 H new ATOM 0 HD2 TYR A 7 20.344 5.967 -10.425 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.902 9.527 -13.585 1.00 0.00 H new ATOM 0 HE2 TYR A 7 21.445 8.184 -10.374 1.00 0.00 H new ATOM 0 HH TYR A 7 20.110 10.935 -12.051 1.00 0.00 H new ATOM 130 N PHE A 8 18.009 4.578 -15.144 1.00 0.00 N ATOM 131 CA PHE A 8 18.628 3.992 -16.336 1.00 0.00 C ATOM 132 C PHE A 8 19.740 4.924 -16.804 1.00 0.00 C ATOM 133 O PHE A 8 19.487 6.107 -17.034 1.00 0.00 O ATOM 134 CB PHE A 8 17.577 3.813 -17.445 1.00 0.00 C ATOM 135 CG PHE A 8 16.411 2.913 -17.084 1.00 0.00 C ATOM 136 CD1 PHE A 8 16.600 1.523 -16.967 1.00 0.00 C ATOM 137 CD2 PHE A 8 15.131 3.457 -16.869 1.00 0.00 C ATOM 138 CE1 PHE A 8 15.533 0.684 -16.610 1.00 0.00 C ATOM 139 CE2 PHE A 8 14.059 2.613 -16.530 1.00 0.00 C ATOM 140 CZ PHE A 8 14.261 1.231 -16.381 1.00 0.00 C ATOM 0 H PHE A 8 17.657 5.522 -15.302 1.00 0.00 H new ATOM 0 HA PHE A 8 19.040 3.011 -16.101 1.00 0.00 H new ATOM 0 HB2 PHE A 8 17.188 4.794 -17.718 1.00 0.00 H new ATOM 0 HB3 PHE A 8 18.069 3.408 -18.329 1.00 0.00 H new ATOM 0 HD1 PHE A 8 17.575 1.098 -17.154 1.00 0.00 H new ATOM 0 HD2 PHE A 8 14.973 4.521 -16.964 1.00 0.00 H new ATOM 0 HE1 PHE A 8 15.690 -0.380 -16.512 1.00 0.00 H new ATOM 0 HE2 PHE A 8 13.074 3.030 -16.383 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.440 0.592 -16.091 1.00 0.00 H new ATOM 150 N LEU A 9 20.960 4.412 -16.954 1.00 0.00 N ATOM 151 CA LEU A 9 22.170 5.197 -17.181 1.00 0.00 C ATOM 152 C LEU A 9 22.816 4.768 -18.497 1.00 0.00 C ATOM 153 O LEU A 9 22.835 3.576 -18.815 1.00 0.00 O ATOM 154 CB LEU A 9 23.147 4.985 -16.004 1.00 0.00 C ATOM 155 CG LEU A 9 23.015 5.976 -14.829 1.00 0.00 C ATOM 156 CD1 LEU A 9 21.588 6.156 -14.308 1.00 0.00 C ATOM 157 CD2 LEU A 9 23.896 5.517 -13.662 1.00 0.00 C ATOM 0 H LEU A 9 21.138 3.408 -16.920 1.00 0.00 H new ATOM 0 HA LEU A 9 21.919 6.256 -17.243 1.00 0.00 H new ATOM 0 HB2 LEU A 9 23.007 3.975 -15.619 1.00 0.00 H new ATOM 0 HB3 LEU A 9 24.165 5.041 -16.388 1.00 0.00 H new ATOM 0 HG LEU A 9 23.333 6.939 -15.227 1.00 0.00 H new ATOM 0 HD11 LEU A 9 21.589 6.869 -13.484 1.00 0.00 H new ATOM 0 HD12 LEU A 9 20.952 6.530 -15.110 1.00 0.00 H new ATOM 0 HD13 LEU A 9 21.205 5.197 -13.958 1.00 0.00 H new ATOM 0 HD21 LEU A 9 23.799 6.220 -12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 9 23.580 4.526 -13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 9 24.936 5.478 -13.985 1.00 0.00 H new ATOM 169 N CYS A 10 23.373 5.723 -19.249 1.00 0.00 N ATOM 170 CA CYS A 10 24.091 5.470 -20.503 1.00 0.00 C ATOM 171 C CYS A 10 25.334 6.346 -20.632 1.00 0.00 C ATOM 172 O CYS A 10 25.533 7.298 -19.880 1.00 0.00 O ATOM 173 CB CYS A 10 23.170 5.758 -21.697 1.00 0.00 C ATOM 174 SG CYS A 10 21.936 4.454 -21.822 1.00 0.00 S ATOM 0 H CYS A 10 23.337 6.711 -18.999 1.00 0.00 H new ATOM 0 HA CYS A 10 24.399 4.424 -20.495 1.00 0.00 H new ATOM 0 HB2 CYS A 10 22.683 6.725 -21.571 1.00 0.00 H new ATOM 0 HB3 CYS A 10 23.753 5.812 -22.616 1.00 0.00 H new ATOM 0 HG CYS A 10 21.855 3.823 -20.688 1.00 0.00 H new ATOM 180 N THR A 11 26.141 6.059 -21.652 1.00 0.00 N ATOM 181 CA THR A 11 27.254 6.898 -22.068 1.00 0.00 C ATOM 182 C THR A 11 26.786 8.307 -22.478 1.00 0.00 C ATOM 183 O THR A 11 27.562 9.254 -22.367 1.00 0.00 O ATOM 184 CB THR A 11 28.049 6.161 -23.162 1.00 0.00 C ATOM 185 OG1 THR A 11 27.200 5.496 -24.079 1.00 0.00 O ATOM 186 CG2 THR A 11 28.906 5.065 -22.527 1.00 0.00 C ATOM 0 H THR A 11 26.034 5.219 -22.221 1.00 0.00 H new ATOM 0 HA THR A 11 27.927 7.069 -21.228 1.00 0.00 H new ATOM 0 HB THR A 11 28.643 6.918 -23.673 1.00 0.00 H new ATOM 0 HG1 THR A 11 27.743 5.043 -24.758 1.00 0.00 H new ATOM 0 HG21 THR A 11 29.467 4.546 -23.304 1.00 0.00 H new ATOM 0 HG22 THR A 11 29.600 5.512 -21.816 1.00 0.00 H new ATOM 0 HG23 THR A 11 28.262 4.355 -22.008 1.00 0.00 H new ATOM 194 N GLY A 12 25.514 8.470 -22.863 1.00 0.00 N ATOM 195 CA GLY A 12 24.853 9.750 -23.070 1.00 0.00 C ATOM 196 C GLY A 12 23.349 9.530 -22.929 1.00 0.00 C ATOM 197 O GLY A 12 22.824 8.539 -23.443 1.00 0.00 O ATOM 0 H GLY A 12 24.898 7.677 -23.044 1.00 0.00 H new ATOM 0 HA2 GLY A 12 25.202 10.482 -22.341 1.00 0.00 H new ATOM 0 HA3 GLY A 12 25.090 10.146 -24.057 1.00 0.00 H new ATOM 201 N ASN A 13 22.654 10.409 -22.201 1.00 0.00 N ATOM 202 CA ASN A 13 21.227 10.270 -21.875 1.00 0.00 C ATOM 203 C ASN A 13 20.338 10.702 -23.046 1.00 0.00 C ATOM 204 O ASN A 13 19.491 11.580 -22.890 1.00 0.00 O ATOM 205 CB ASN A 13 20.889 11.072 -20.606 1.00 0.00 C ATOM 206 CG ASN A 13 19.448 10.856 -20.117 1.00 0.00 C ATOM 207 OD1 ASN A 13 18.765 11.811 -19.772 1.00 0.00 O ATOM 208 ND2 ASN A 13 18.923 9.639 -20.064 1.00 0.00 N ATOM 0 H ASN A 13 23.073 11.254 -21.813 1.00 0.00 H new ATOM 0 HA ASN A 13 21.026 9.215 -21.686 1.00 0.00 H new ATOM 0 HB2 ASN A 13 21.581 10.791 -19.812 1.00 0.00 H new ATOM 0 HB3 ASN A 13 21.043 12.133 -20.803 1.00 0.00 H new ATOM 0 HD21 ASN A 13 17.965 9.511 -19.740 1.00 0.00 H new ATOM 0 HD22 ASN A 13 19.478 8.831 -20.348 1.00 0.00 H new ATOM 215 N SER A 14 20.530 10.124 -24.230 1.00 0.00 N ATOM 216 CA SER A 14 19.890 10.628 -25.444 1.00 0.00 C ATOM 217 C SER A 14 19.106 9.570 -26.215 1.00 0.00 C ATOM 218 O SER A 14 18.256 9.949 -27.025 1.00 0.00 O ATOM 219 CB SER A 14 20.946 11.307 -26.325 1.00 0.00 C ATOM 220 OG SER A 14 21.499 12.427 -25.656 1.00 0.00 O ATOM 0 H SER A 14 21.123 9.307 -24.375 1.00 0.00 H new ATOM 0 HA SER A 14 19.140 11.357 -25.139 1.00 0.00 H new ATOM 0 HB2 SER A 14 21.735 10.596 -26.572 1.00 0.00 H new ATOM 0 HB3 SER A 14 20.496 11.623 -27.266 1.00 0.00 H new ATOM 0 HG SER A 14 20.924 13.208 -25.795 1.00 0.00 H new ATOM 226 N CYS A 15 19.331 8.277 -25.956 1.00 0.00 N ATOM 227 CA CYS A 15 18.750 7.208 -26.759 1.00 0.00 C ATOM 228 C CYS A 15 18.258 6.090 -25.840 1.00 0.00 C ATOM 229 O CYS A 15 17.103 6.105 -25.423 1.00 0.00 O ATOM 230 CB CYS A 15 19.778 6.708 -27.798 1.00 0.00 C ATOM 231 SG CYS A 15 20.529 8.049 -28.763 1.00 0.00 S ATOM 0 H CYS A 15 19.917 7.949 -25.188 1.00 0.00 H new ATOM 0 HA CYS A 15 17.890 7.581 -27.315 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.564 6.154 -27.284 1.00 0.00 H new ATOM 0 HB3 CYS A 15 19.288 6.010 -28.477 1.00 0.00 H new ATOM 0 HG CYS A 15 21.796 7.807 -28.929 1.00 0.00 H new ATOM 237 N ARG A 16 19.129 5.141 -25.485 1.00 0.00 N ATOM 238 CA ARG A 16 18.751 3.908 -24.789 1.00 0.00 C ATOM 239 C ARG A 16 18.052 4.213 -23.466 1.00 0.00 C ATOM 240 O ARG A 16 16.940 3.738 -23.247 1.00 0.00 O ATOM 241 CB ARG A 16 20.012 3.070 -24.533 1.00 0.00 C ATOM 242 CG ARG A 16 20.627 2.396 -25.767 1.00 0.00 C ATOM 243 CD ARG A 16 22.107 2.088 -25.503 1.00 0.00 C ATOM 244 NE ARG A 16 22.891 3.338 -25.475 1.00 0.00 N ATOM 245 CZ ARG A 16 24.083 3.552 -24.916 1.00 0.00 C ATOM 246 NH1 ARG A 16 24.689 2.620 -24.195 1.00 0.00 N ATOM 247 NH2 ARG A 16 24.657 4.728 -25.128 1.00 0.00 N ATOM 0 H ARG A 16 20.129 5.208 -25.675 1.00 0.00 H new ATOM 0 HA ARG A 16 18.054 3.352 -25.415 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.767 3.713 -24.079 1.00 0.00 H new ATOM 0 HB3 ARG A 16 19.770 2.298 -23.803 1.00 0.00 H new ATOM 0 HG2 ARG A 16 20.089 1.476 -25.997 1.00 0.00 H new ATOM 0 HG3 ARG A 16 20.530 3.047 -26.636 1.00 0.00 H new ATOM 0 HD2 ARG A 16 22.213 1.563 -24.554 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.492 1.426 -26.279 1.00 0.00 H new ATOM 0 HE ARG A 16 22.468 4.140 -25.942 1.00 0.00 H new ATOM 0 HH11 ARG A 16 24.244 1.713 -24.056 1.00 0.00 H new ATOM 0 HH12 ARG A 16 25.601 2.810 -23.779 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.187 5.429 -25.701 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.569 4.932 -24.718 1.00 0.00 H new ATOM 261 N SER A 17 18.680 5.005 -22.594 1.00 0.00 N ATOM 262 CA SER A 17 18.140 5.264 -21.261 1.00 0.00 C ATOM 263 C SER A 17 16.841 6.071 -21.336 1.00 0.00 C ATOM 264 O SER A 17 15.919 5.825 -20.556 1.00 0.00 O ATOM 265 CB SER A 17 19.217 5.939 -20.409 1.00 0.00 C ATOM 266 OG SER A 17 19.857 7.000 -21.109 1.00 0.00 O ATOM 0 H SER A 17 19.563 5.477 -22.789 1.00 0.00 H new ATOM 0 HA SER A 17 17.872 4.323 -20.780 1.00 0.00 H new ATOM 0 HB2 SER A 17 18.767 6.326 -19.495 1.00 0.00 H new ATOM 0 HB3 SER A 17 19.961 5.200 -20.111 1.00 0.00 H new ATOM 0 HG SER A 17 20.617 6.646 -21.617 1.00 0.00 H new ATOM 272 N GLN A 18 16.741 6.981 -22.310 1.00 0.00 N ATOM 273 CA GLN A 18 15.544 7.769 -22.567 1.00 0.00 C ATOM 274 C GLN A 18 14.380 6.846 -22.946 1.00 0.00 C ATOM 275 O GLN A 18 13.340 6.855 -22.286 1.00 0.00 O ATOM 276 CB GLN A 18 15.863 8.807 -23.663 1.00 0.00 C ATOM 277 CG GLN A 18 16.584 10.048 -23.106 1.00 0.00 C ATOM 278 CD GLN A 18 15.641 10.958 -22.315 1.00 0.00 C ATOM 279 OE1 GLN A 18 14.454 11.039 -22.617 1.00 0.00 O ATOM 280 NE2 GLN A 18 16.098 11.631 -21.277 1.00 0.00 N ATOM 0 H GLN A 18 17.507 7.190 -22.950 1.00 0.00 H new ATOM 0 HA GLN A 18 15.235 8.308 -21.672 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.484 8.343 -24.429 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.937 9.116 -24.148 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.405 9.731 -22.463 1.00 0.00 H new ATOM 0 HG3 GLN A 18 17.024 10.611 -23.929 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.083 11.567 -21.022 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.466 12.215 -20.730 1.00 0.00 H new ATOM 289 N MET A 19 14.567 6.017 -23.972 1.00 0.00 N ATOM 290 CA MET A 19 13.565 5.045 -24.412 1.00 0.00 C ATOM 291 C MET A 19 13.184 4.079 -23.281 1.00 0.00 C ATOM 292 O MET A 19 11.997 3.803 -23.094 1.00 0.00 O ATOM 293 CB MET A 19 14.056 4.273 -25.650 1.00 0.00 C ATOM 294 CG MET A 19 14.237 5.178 -26.880 1.00 0.00 C ATOM 295 SD MET A 19 14.217 4.334 -28.484 1.00 0.00 S ATOM 296 CE MET A 19 15.673 3.266 -28.344 1.00 0.00 C ATOM 0 H MET A 19 15.424 6.000 -24.526 1.00 0.00 H new ATOM 0 HA MET A 19 12.668 5.599 -24.689 1.00 0.00 H new ATOM 0 HB2 MET A 19 15.004 3.788 -25.418 1.00 0.00 H new ATOM 0 HB3 MET A 19 13.343 3.483 -25.887 1.00 0.00 H new ATOM 0 HG2 MET A 19 13.447 5.929 -26.875 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.183 5.710 -26.781 1.00 0.00 H new ATOM 0 HE1 MET A 19 15.788 2.685 -29.259 1.00 0.00 H new ATOM 0 HE2 MET A 19 16.561 3.879 -28.190 1.00 0.00 H new ATOM 0 HE3 MET A 19 15.548 2.590 -27.499 1.00 0.00 H new ATOM 306 N ALA A 20 14.157 3.582 -22.507 1.00 0.00 N ATOM 307 CA ALA A 20 13.903 2.649 -21.412 1.00 0.00 C ATOM 308 C ALA A 20 13.010 3.274 -20.346 1.00 0.00 C ATOM 309 O ALA A 20 12.062 2.627 -19.906 1.00 0.00 O ATOM 310 CB ALA A 20 15.224 2.175 -20.798 1.00 0.00 C ATOM 0 H ALA A 20 15.142 3.818 -22.626 1.00 0.00 H new ATOM 0 HA ALA A 20 13.377 1.786 -21.821 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.018 1.480 -19.984 1.00 0.00 H new ATOM 0 HB2 ALA A 20 15.820 1.674 -21.560 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.775 3.033 -20.413 1.00 0.00 H new ATOM 316 N GLU A 21 13.270 4.528 -19.969 1.00 0.00 N ATOM 317 CA GLU A 21 12.400 5.262 -19.051 1.00 0.00 C ATOM 318 C GLU A 21 10.962 5.323 -19.599 1.00 0.00 C ATOM 319 O GLU A 21 10.015 5.090 -18.844 1.00 0.00 O ATOM 320 CB GLU A 21 12.991 6.654 -18.763 1.00 0.00 C ATOM 321 CG GLU A 21 12.209 7.456 -17.706 1.00 0.00 C ATOM 322 CD GLU A 21 12.662 8.919 -17.547 1.00 0.00 C ATOM 323 OE1 GLU A 21 13.850 9.229 -17.784 1.00 0.00 O ATOM 324 OE2 GLU A 21 11.825 9.754 -17.128 1.00 0.00 O ATOM 0 H GLU A 21 14.081 5.058 -20.288 1.00 0.00 H new ATOM 0 HA GLU A 21 12.346 4.734 -18.099 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.022 6.538 -18.428 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.019 7.225 -19.691 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.151 7.443 -17.969 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.304 6.953 -16.744 1.00 0.00 H new ATOM 331 N GLY A 22 10.786 5.557 -20.905 1.00 0.00 N ATOM 332 CA GLY A 22 9.478 5.590 -21.548 1.00 0.00 C ATOM 333 C GLY A 22 8.729 4.276 -21.405 1.00 0.00 C ATOM 334 O GLY A 22 7.574 4.276 -20.975 1.00 0.00 O ATOM 0 H GLY A 22 11.559 5.730 -21.547 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.883 6.393 -21.114 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.602 5.821 -22.606 1.00 0.00 H new ATOM 338 N TRP A 23 9.377 3.156 -21.733 1.00 0.00 N ATOM 339 CA TRP A 23 8.765 1.838 -21.591 1.00 0.00 C ATOM 340 C TRP A 23 8.462 1.529 -20.131 1.00 0.00 C ATOM 341 O TRP A 23 7.387 1.014 -19.818 1.00 0.00 O ATOM 342 CB TRP A 23 9.688 0.763 -22.170 1.00 0.00 C ATOM 343 CG TRP A 23 9.714 0.714 -23.660 1.00 0.00 C ATOM 344 CD1 TRP A 23 10.731 1.112 -24.453 1.00 0.00 C ATOM 345 CD2 TRP A 23 8.675 0.229 -24.563 1.00 0.00 C ATOM 346 NE1 TRP A 23 10.400 0.902 -25.772 1.00 0.00 N ATOM 347 CE2 TRP A 23 9.155 0.323 -25.903 1.00 0.00 C ATOM 348 CE3 TRP A 23 7.376 -0.289 -24.379 1.00 0.00 C ATOM 349 CZ2 TRP A 23 8.391 -0.109 -27.001 1.00 0.00 C ATOM 350 CZ3 TRP A 23 6.614 -0.748 -25.467 1.00 0.00 C ATOM 351 CH2 TRP A 23 7.123 -0.671 -26.774 1.00 0.00 C ATOM 0 H TRP A 23 10.329 3.138 -22.100 1.00 0.00 H new ATOM 0 HA TRP A 23 7.825 1.841 -22.143 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.701 0.936 -21.806 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.375 -0.210 -21.792 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.663 1.532 -24.105 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.003 1.145 -26.558 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.959 -0.334 -23.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.774 -0.010 -28.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.631 -1.162 -25.297 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.540 -1.043 -27.604 1.00 0.00 H new ATOM 362 N ALA A 24 9.397 1.846 -19.236 1.00 0.00 N ATOM 363 CA ALA A 24 9.275 1.532 -17.828 1.00 0.00 C ATOM 364 C ALA A 24 8.080 2.251 -17.222 1.00 0.00 C ATOM 365 O ALA A 24 7.308 1.614 -16.512 1.00 0.00 O ATOM 366 CB ALA A 24 10.584 1.873 -17.118 1.00 0.00 C ATOM 0 H ALA A 24 10.262 2.330 -19.477 1.00 0.00 H new ATOM 0 HA ALA A 24 9.094 0.465 -17.700 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.495 1.637 -16.057 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.396 1.290 -17.552 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.796 2.935 -17.237 1.00 0.00 H new ATOM 372 N LYS A 25 7.854 3.526 -17.556 1.00 0.00 N ATOM 373 CA LYS A 25 6.660 4.251 -17.115 1.00 0.00 C ATOM 374 C LYS A 25 5.384 3.482 -17.438 1.00 0.00 C ATOM 375 O LYS A 25 4.466 3.475 -16.616 1.00 0.00 O ATOM 376 CB LYS A 25 6.617 5.649 -17.748 1.00 0.00 C ATOM 377 CG LYS A 25 7.579 6.614 -17.048 1.00 0.00 C ATOM 378 CD LYS A 25 7.733 7.910 -17.849 1.00 0.00 C ATOM 379 CE LYS A 25 8.671 8.846 -17.085 1.00 0.00 C ATOM 380 NZ LYS A 25 9.222 9.908 -17.947 1.00 0.00 N ATOM 0 H LYS A 25 8.487 4.079 -18.134 1.00 0.00 H new ATOM 0 HA LYS A 25 6.718 4.355 -16.032 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.876 5.579 -18.805 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.602 6.043 -17.694 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.209 6.842 -16.048 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.553 6.139 -16.927 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.135 7.697 -18.840 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.762 8.383 -17.994 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.131 9.299 -16.253 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.489 8.267 -16.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.042 10.345 -17.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.520 9.498 -18.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.494 10.631 -18.116 1.00 0.00 H new ATOM 394 N GLN A 26 5.329 2.828 -18.602 1.00 0.00 N ATOM 395 CA GLN A 26 4.149 2.070 -18.991 1.00 0.00 C ATOM 396 C GLN A 26 4.008 0.811 -18.132 1.00 0.00 C ATOM 397 O GLN A 26 3.033 0.669 -17.393 1.00 0.00 O ATOM 398 CB GLN A 26 4.127 1.702 -20.488 1.00 0.00 C ATOM 399 CG GLN A 26 4.527 2.810 -21.468 1.00 0.00 C ATOM 400 CD GLN A 26 3.964 4.193 -21.139 1.00 0.00 C ATOM 401 OE1 GLN A 26 2.754 4.392 -21.055 1.00 0.00 O ATOM 402 NE2 GLN A 26 4.830 5.175 -20.940 1.00 0.00 N ATOM 0 H GLN A 26 6.087 2.811 -19.285 1.00 0.00 H new ATOM 0 HA GLN A 26 3.295 2.725 -18.818 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.794 0.853 -20.641 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.121 1.367 -20.743 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.615 2.874 -21.497 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.197 2.528 -22.468 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.831 4.995 -21.013 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.496 6.112 -20.714 1.00 0.00 H new ATOM 411 N TYR A 27 4.983 -0.096 -18.215 1.00 0.00 N ATOM 412 CA TYR A 27 4.858 -1.427 -17.620 1.00 0.00 C ATOM 413 C TYR A 27 4.859 -1.377 -16.093 1.00 0.00 C ATOM 414 O TYR A 27 4.131 -2.135 -15.451 1.00 0.00 O ATOM 415 CB TYR A 27 5.978 -2.351 -18.112 1.00 0.00 C ATOM 416 CG TYR A 27 5.932 -2.657 -19.596 1.00 0.00 C ATOM 417 CD1 TYR A 27 4.875 -3.417 -20.134 1.00 0.00 C ATOM 418 CD2 TYR A 27 6.968 -2.213 -20.433 1.00 0.00 C ATOM 419 CE1 TYR A 27 4.849 -3.723 -21.507 1.00 0.00 C ATOM 420 CE2 TYR A 27 6.979 -2.561 -21.794 1.00 0.00 C ATOM 421 CZ TYR A 27 5.908 -3.300 -22.344 1.00 0.00 C ATOM 422 OH TYR A 27 5.916 -3.618 -23.669 1.00 0.00 O ATOM 0 H TYR A 27 5.870 0.068 -18.690 1.00 0.00 H new ATOM 0 HA TYR A 27 3.896 -1.827 -17.940 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.939 -1.893 -17.878 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.928 -3.289 -17.559 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.081 -3.766 -19.490 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.760 -1.601 -20.029 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.022 -4.280 -21.921 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.807 -2.263 -22.420 1.00 0.00 H new ATOM 0 HH TYR A 27 6.111 -2.816 -24.197 1.00 0.00 H new ATOM 432 N LEU A 28 5.656 -0.478 -15.509 1.00 0.00 N ATOM 433 CA LEU A 28 5.743 -0.302 -14.061 1.00 0.00 C ATOM 434 C LEU A 28 4.560 0.504 -13.502 1.00 0.00 C ATOM 435 O LEU A 28 4.481 0.701 -12.289 1.00 0.00 O ATOM 436 CB LEU A 28 7.086 0.349 -13.690 1.00 0.00 C ATOM 437 CG LEU A 28 8.339 -0.414 -14.170 1.00 0.00 C ATOM 438 CD1 LEU A 28 9.598 0.347 -13.747 1.00 0.00 C ATOM 439 CD2 LEU A 28 8.409 -1.851 -13.635 1.00 0.00 C ATOM 0 H LEU A 28 6.263 0.152 -16.034 1.00 0.00 H new ATOM 0 HA LEU A 28 5.691 -1.289 -13.601 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.111 1.356 -14.107 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.135 0.451 -12.606 1.00 0.00 H new ATOM 0 HG LEU A 28 8.274 -0.478 -15.256 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.481 -0.194 -14.087 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.588 1.342 -14.192 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.622 0.435 -12.661 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.312 -2.334 -14.008 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.430 -1.833 -12.545 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.534 -2.408 -13.971 1.00 0.00 H new ATOM 451 N GLY A 29 3.644 0.976 -14.355 1.00 0.00 N ATOM 452 CA GLY A 29 2.383 1.604 -13.967 1.00 0.00 C ATOM 453 C GLY A 29 2.552 2.855 -13.103 1.00 0.00 C ATOM 454 O GLY A 29 1.648 3.197 -12.342 1.00 0.00 O ATOM 0 H GLY A 29 3.767 0.928 -15.366 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.828 1.869 -14.867 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.779 0.878 -13.423 1.00 0.00 H new ATOM 458 N ASP A 30 3.712 3.513 -13.200 1.00 0.00 N ATOM 459 CA ASP A 30 4.160 4.639 -12.375 1.00 0.00 C ATOM 460 C ASP A 30 4.187 4.327 -10.866 1.00 0.00 C ATOM 461 O ASP A 30 4.361 5.221 -10.040 1.00 0.00 O ATOM 462 CB ASP A 30 3.371 5.903 -12.747 1.00 0.00 C ATOM 463 CG ASP A 30 3.960 7.187 -12.135 1.00 0.00 C ATOM 464 OD1 ASP A 30 5.141 7.505 -12.400 1.00 0.00 O ATOM 465 OD2 ASP A 30 3.217 7.932 -11.455 1.00 0.00 O ATOM 0 H ASP A 30 4.407 3.257 -13.901 1.00 0.00 H new ATOM 0 HA ASP A 30 5.208 4.832 -12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.348 6.003 -13.832 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.339 5.790 -12.415 1.00 0.00 H new ATOM 470 N GLU A 31 4.101 3.044 -10.488 1.00 0.00 N ATOM 471 CA GLU A 31 4.318 2.554 -9.121 1.00 0.00 C ATOM 472 C GLU A 31 5.814 2.590 -8.755 1.00 0.00 C ATOM 473 O GLU A 31 6.216 2.214 -7.650 1.00 0.00 O ATOM 474 CB GLU A 31 3.773 1.125 -8.964 1.00 0.00 C ATOM 475 CG GLU A 31 2.269 1.014 -9.226 1.00 0.00 C ATOM 476 CD GLU A 31 1.421 1.643 -8.104 1.00 0.00 C ATOM 477 OE1 GLU A 31 1.164 0.966 -7.083 1.00 0.00 O ATOM 478 OE2 GLU A 31 0.977 2.805 -8.239 1.00 0.00 O ATOM 0 H GLU A 31 3.872 2.298 -11.144 1.00 0.00 H new ATOM 0 HA GLU A 31 3.778 3.213 -8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.303 0.465 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.985 0.772 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.032 1.502 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.000 -0.037 -9.333 1.00 0.00 H new ATOM 485 N TRP A 32 6.645 3.025 -9.704 1.00 0.00 N ATOM 486 CA TRP A 32 8.081 3.155 -9.622 1.00 0.00 C ATOM 487 C TRP A 32 8.370 4.542 -10.194 1.00 0.00 C ATOM 488 O TRP A 32 7.959 4.837 -11.314 1.00 0.00 O ATOM 489 CB TRP A 32 8.768 2.049 -10.452 1.00 0.00 C ATOM 490 CG TRP A 32 8.459 0.607 -10.131 1.00 0.00 C ATOM 491 CD1 TRP A 32 7.235 0.031 -10.160 1.00 0.00 C ATOM 492 CD2 TRP A 32 9.385 -0.492 -9.845 1.00 0.00 C ATOM 493 NE1 TRP A 32 7.326 -1.313 -9.886 1.00 0.00 N ATOM 494 CE2 TRP A 32 8.634 -1.700 -9.725 1.00 0.00 C ATOM 495 CE3 TRP A 32 10.785 -0.602 -9.699 1.00 0.00 C ATOM 496 CZ2 TRP A 32 9.233 -2.947 -9.516 1.00 0.00 C ATOM 497 CZ3 TRP A 32 11.401 -1.851 -9.478 1.00 0.00 C ATOM 498 CH2 TRP A 32 10.630 -3.026 -9.410 1.00 0.00 C ATOM 0 H TRP A 32 6.293 3.315 -10.616 1.00 0.00 H new ATOM 0 HA TRP A 32 8.459 3.048 -8.605 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.516 2.216 -11.499 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.845 2.185 -10.358 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.314 0.555 -10.369 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.526 -1.941 -9.812 1.00 0.00 H new ATOM 0 HE3 TRP A 32 11.395 0.287 -9.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 8.628 -3.838 -9.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.473 -1.906 -9.360 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.111 -3.984 -9.277 1.00 0.00 H new ATOM 509 N LYS A 33 9.020 5.413 -9.422 1.00 0.00 N ATOM 510 CA LYS A 33 9.515 6.703 -9.877 1.00 0.00 C ATOM 511 C LYS A 33 10.641 6.438 -10.871 1.00 0.00 C ATOM 512 O LYS A 33 11.761 6.125 -10.469 1.00 0.00 O ATOM 513 CB LYS A 33 10.013 7.546 -8.686 1.00 0.00 C ATOM 514 CG LYS A 33 8.942 8.038 -7.700 1.00 0.00 C ATOM 515 CD LYS A 33 7.778 8.830 -8.322 1.00 0.00 C ATOM 516 CE LYS A 33 8.195 10.058 -9.153 1.00 0.00 C ATOM 517 NZ LYS A 33 8.875 11.109 -8.353 1.00 0.00 N ATOM 0 H LYS A 33 9.220 5.232 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 33 8.718 7.271 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.742 6.956 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.540 8.415 -9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.531 7.174 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.425 8.665 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.201 8.159 -8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.115 9.160 -7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.859 9.736 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.310 10.486 -9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.369 12.011 -8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.879 10.834 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.854 11.219 -8.686 1.00 0.00 H new ATOM 531 N VAL A 34 10.325 6.473 -12.158 1.00 0.00 N ATOM 532 CA VAL A 34 11.263 6.178 -13.217 1.00 0.00 C ATOM 533 C VAL A 34 12.096 7.437 -13.490 1.00 0.00 C ATOM 534 O VAL A 34 11.550 8.543 -13.520 1.00 0.00 O ATOM 535 CB VAL A 34 10.502 5.718 -14.478 1.00 0.00 C ATOM 536 CG1 VAL A 34 11.411 4.847 -15.340 1.00 0.00 C ATOM 537 CG2 VAL A 34 9.229 4.893 -14.210 1.00 0.00 C ATOM 0 H VAL A 34 9.392 6.712 -12.495 1.00 0.00 H new ATOM 0 HA VAL A 34 11.931 5.368 -12.925 1.00 0.00 H new ATOM 0 HB VAL A 34 10.201 6.645 -14.967 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.869 4.524 -16.229 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.289 5.420 -15.638 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.725 3.973 -14.770 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.767 4.618 -15.158 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.490 3.990 -13.658 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.528 5.486 -13.623 1.00 0.00 H new ATOM 547 N TYR A 35 13.391 7.257 -13.746 1.00 0.00 N ATOM 548 CA TYR A 35 14.324 8.308 -14.141 1.00 0.00 C ATOM 549 C TYR A 35 15.344 7.741 -15.133 1.00 0.00 C ATOM 550 O TYR A 35 15.524 6.523 -15.223 1.00 0.00 O ATOM 551 CB TYR A 35 15.078 8.827 -12.903 1.00 0.00 C ATOM 552 CG TYR A 35 14.233 9.545 -11.869 1.00 0.00 C ATOM 553 CD1 TYR A 35 13.909 10.906 -12.044 1.00 0.00 C ATOM 554 CD2 TYR A 35 13.795 8.864 -10.718 1.00 0.00 C ATOM 555 CE1 TYR A 35 13.142 11.583 -11.079 1.00 0.00 C ATOM 556 CE2 TYR A 35 13.039 9.539 -9.745 1.00 0.00 C ATOM 557 CZ TYR A 35 12.700 10.898 -9.923 1.00 0.00 C ATOM 558 OH TYR A 35 11.943 11.531 -8.981 1.00 0.00 O ATOM 0 H TYR A 35 13.834 6.341 -13.681 1.00 0.00 H new ATOM 0 HA TYR A 35 13.765 9.122 -14.603 1.00 0.00 H new ATOM 0 HB2 TYR A 35 15.570 7.983 -12.420 1.00 0.00 H new ATOM 0 HB3 TYR A 35 15.863 9.505 -13.237 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.251 11.431 -12.923 1.00 0.00 H new ATOM 0 HD2 TYR A 35 14.040 7.821 -10.582 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.891 12.624 -11.220 1.00 0.00 H new ATOM 0 HE2 TYR A 35 12.716 9.016 -8.857 1.00 0.00 H new ATOM 0 HH TYR A 35 11.731 10.905 -8.257 1.00 0.00 H new ATOM 568 N SER A 36 16.087 8.616 -15.809 1.00 0.00 N ATOM 569 CA SER A 36 17.235 8.244 -16.615 1.00 0.00 C ATOM 570 C SER A 36 18.298 9.340 -16.543 1.00 0.00 C ATOM 571 O SER A 36 17.986 10.487 -16.199 1.00 0.00 O ATOM 572 CB SER A 36 16.816 7.944 -18.059 1.00 0.00 C ATOM 573 OG SER A 36 16.238 9.046 -18.722 1.00 0.00 O ATOM 0 H SER A 36 15.900 9.619 -15.808 1.00 0.00 H new ATOM 0 HA SER A 36 17.670 7.328 -16.215 1.00 0.00 H new ATOM 0 HB2 SER A 36 17.689 7.611 -18.620 1.00 0.00 H new ATOM 0 HB3 SER A 36 16.105 7.118 -18.057 1.00 0.00 H new ATOM 0 HG SER A 36 15.262 8.962 -18.706 1.00 0.00 H new ATOM 579 N ALA A 37 19.549 8.984 -16.841 1.00 0.00 N ATOM 580 CA ALA A 37 20.685 9.894 -16.871 1.00 0.00 C ATOM 581 C ALA A 37 21.837 9.278 -17.679 1.00 0.00 C ATOM 582 O ALA A 37 21.665 8.274 -18.377 1.00 0.00 O ATOM 583 CB ALA A 37 21.122 10.211 -15.434 1.00 0.00 C ATOM 0 H ALA A 37 19.802 8.024 -17.075 1.00 0.00 H new ATOM 0 HA ALA A 37 20.396 10.824 -17.360 1.00 0.00 H new ATOM 0 HB1 ALA A 37 21.973 10.892 -15.454 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.296 10.678 -14.897 1.00 0.00 H new ATOM 0 HB3 ALA A 37 21.408 9.288 -14.929 1.00 0.00 H new ATOM 589 N GLY A 38 23.025 9.875 -17.598 1.00 0.00 N ATOM 590 CA GLY A 38 24.235 9.337 -18.191 1.00 0.00 C ATOM 591 C GLY A 38 25.447 10.191 -17.847 1.00 0.00 C ATOM 592 O GLY A 38 25.323 11.204 -17.152 1.00 0.00 O ATOM 0 H GLY A 38 23.170 10.759 -17.110 1.00 0.00 H new ATOM 0 HA2 GLY A 38 24.394 8.318 -17.838 1.00 0.00 H new ATOM 0 HA3 GLY A 38 24.120 9.285 -19.274 1.00 0.00 H new ATOM 596 N ILE A 39 26.611 9.772 -18.350 1.00 0.00 N ATOM 597 CA ILE A 39 27.876 10.507 -18.269 1.00 0.00 C ATOM 598 C ILE A 39 27.744 11.916 -18.875 1.00 0.00 C ATOM 599 O ILE A 39 28.442 12.834 -18.443 1.00 0.00 O ATOM 600 CB ILE A 39 28.985 9.627 -18.914 1.00 0.00 C ATOM 601 CG1 ILE A 39 29.632 8.755 -17.814 1.00 0.00 C ATOM 602 CG2 ILE A 39 30.066 10.415 -19.669 1.00 0.00 C ATOM 603 CD1 ILE A 39 30.432 7.566 -18.360 1.00 0.00 C ATOM 0 H ILE A 39 26.702 8.883 -18.841 1.00 0.00 H new ATOM 0 HA ILE A 39 28.160 10.689 -17.232 1.00 0.00 H new ATOM 0 HB ILE A 39 28.497 9.013 -19.671 1.00 0.00 H new ATOM 0 HG12 ILE A 39 30.291 9.378 -17.210 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.851 8.382 -17.152 1.00 0.00 H new ATOM 0 HG21 ILE A 39 30.797 9.722 -20.086 1.00 0.00 H new ATOM 0 HG22 ILE A 39 29.605 10.984 -20.476 1.00 0.00 H new ATOM 0 HG23 ILE A 39 30.565 11.099 -18.982 1.00 0.00 H new ATOM 0 HD11 ILE A 39 30.856 7.001 -17.530 1.00 0.00 H new ATOM 0 HD12 ILE A 39 29.773 6.920 -18.940 1.00 0.00 H new ATOM 0 HD13 ILE A 39 31.236 7.931 -18.999 1.00 0.00 H new ATOM 615 N GLU A 40 26.836 12.108 -19.833 1.00 0.00 N ATOM 616 CA GLU A 40 26.494 13.396 -20.407 1.00 0.00 C ATOM 617 C GLU A 40 25.018 13.375 -20.805 1.00 0.00 C ATOM 618 O GLU A 40 24.390 12.312 -20.854 1.00 0.00 O ATOM 619 CB GLU A 40 27.407 13.753 -21.593 1.00 0.00 C ATOM 620 CG GLU A 40 27.314 12.760 -22.763 1.00 0.00 C ATOM 621 CD GLU A 40 28.192 13.164 -23.961 1.00 0.00 C ATOM 622 OE1 GLU A 40 29.423 13.334 -23.804 1.00 0.00 O ATOM 623 OE2 GLU A 40 27.663 13.278 -25.090 1.00 0.00 O ATOM 0 H GLU A 40 26.304 11.339 -20.240 1.00 0.00 H new ATOM 0 HA GLU A 40 26.653 14.178 -19.665 1.00 0.00 H new ATOM 0 HB2 GLU A 40 27.149 14.749 -21.952 1.00 0.00 H new ATOM 0 HB3 GLU A 40 28.439 13.796 -21.246 1.00 0.00 H new ATOM 0 HG2 GLU A 40 27.612 11.770 -22.418 1.00 0.00 H new ATOM 0 HG3 GLU A 40 26.276 12.685 -23.088 1.00 0.00 H new ATOM 630 N ALA A 41 24.485 14.548 -21.136 1.00 0.00 N ATOM 631 CA ALA A 41 23.172 14.724 -21.721 1.00 0.00 C ATOM 632 C ALA A 41 23.269 15.902 -22.682 1.00 0.00 C ATOM 633 O ALA A 41 23.888 16.917 -22.351 1.00 0.00 O ATOM 634 CB ALA A 41 22.160 15.018 -20.609 1.00 0.00 C ATOM 0 H ALA A 41 24.979 15.430 -20.997 1.00 0.00 H new ATOM 0 HA ALA A 41 22.844 13.829 -22.250 1.00 0.00 H new ATOM 0 HB1 ALA A 41 21.170 15.151 -21.044 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.139 14.185 -19.907 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.451 15.928 -20.084 1.00 0.00 H new ATOM 640 N HIS A 42 22.642 15.781 -23.852 1.00 0.00 N ATOM 641 CA HIS A 42 22.498 16.855 -24.837 1.00 0.00 C ATOM 642 C HIS A 42 21.020 16.993 -25.247 1.00 0.00 C ATOM 643 O HIS A 42 20.706 17.659 -26.236 1.00 0.00 O ATOM 644 CB HIS A 42 23.419 16.590 -26.048 1.00 0.00 C ATOM 645 CG HIS A 42 24.904 16.771 -25.810 1.00 0.00 C ATOM 646 ND1 HIS A 42 25.530 17.160 -24.644 1.00 0.00 N ATOM 647 CD2 HIS A 42 25.885 16.639 -26.757 1.00 0.00 C ATOM 648 CE1 HIS A 42 26.849 17.245 -24.878 1.00 0.00 C ATOM 649 NE2 HIS A 42 27.120 16.942 -26.162 1.00 0.00 N ATOM 0 H HIS A 42 22.207 14.908 -24.150 1.00 0.00 H new ATOM 0 HA HIS A 42 22.806 17.804 -24.398 1.00 0.00 H new ATOM 0 HB2 HIS A 42 23.249 15.570 -26.391 1.00 0.00 H new ATOM 0 HB3 HIS A 42 23.118 17.253 -26.859 1.00 0.00 H new ATOM 0 HD1 HIS A 42 25.069 17.351 -23.755 1.00 0.00 H new ATOM 0 HD2 HIS A 42 25.734 16.351 -27.787 1.00 0.00 H new ATOM 0 HE1 HIS A 42 27.589 17.518 -24.140 1.00 0.00 H new ATOM 657 N GLY A 43 20.110 16.359 -24.498 1.00 0.00 N ATOM 658 CA GLY A 43 18.711 16.220 -24.870 1.00 0.00 C ATOM 659 C GLY A 43 18.508 14.873 -25.557 1.00 0.00 C ATOM 660 O GLY A 43 19.471 14.213 -25.966 1.00 0.00 O ATOM 0 H GLY A 43 20.336 15.924 -23.604 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.078 16.290 -23.985 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.417 17.030 -25.537 1.00 0.00 H new ATOM 664 N LEU A 44 17.250 14.449 -25.657 1.00 0.00 N ATOM 665 CA LEU A 44 16.893 13.199 -26.305 1.00 0.00 C ATOM 666 C LEU A 44 16.956 13.350 -27.821 1.00 0.00 C ATOM 667 O LEU A 44 16.670 14.418 -28.370 1.00 0.00 O ATOM 668 CB LEU A 44 15.536 12.675 -25.815 1.00 0.00 C ATOM 669 CG LEU A 44 14.269 13.414 -26.287 1.00 0.00 C ATOM 670 CD1 LEU A 44 13.086 12.682 -25.661 1.00 0.00 C ATOM 671 CD2 LEU A 44 14.183 14.888 -25.869 1.00 0.00 C ATOM 0 H LEU A 44 16.452 14.967 -25.289 1.00 0.00 H new ATOM 0 HA LEU A 44 17.625 12.441 -26.024 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.449 11.632 -26.120 1.00 0.00 H new ATOM 0 HB3 LEU A 44 15.545 12.688 -24.725 1.00 0.00 H new ATOM 0 HG LEU A 44 14.279 13.413 -27.377 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.157 13.166 -25.964 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.081 11.645 -25.997 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.173 12.711 -24.575 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.257 15.320 -26.248 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.198 14.959 -24.781 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.033 15.433 -26.280 1.00 0.00 H new ATOM 683 N ASN A 45 17.343 12.270 -28.493 1.00 0.00 N ATOM 684 CA ASN A 45 17.476 12.223 -29.942 1.00 0.00 C ATOM 685 C ASN A 45 16.074 12.269 -30.566 1.00 0.00 C ATOM 686 O ASN A 45 15.211 11.516 -30.112 1.00 0.00 O ATOM 687 CB ASN A 45 18.209 10.921 -30.303 1.00 0.00 C ATOM 688 CG ASN A 45 18.600 10.840 -31.771 1.00 0.00 C ATOM 689 OD1 ASN A 45 17.801 11.083 -32.663 1.00 0.00 O ATOM 690 ND2 ASN A 45 19.836 10.477 -32.051 1.00 0.00 N ATOM 0 H ASN A 45 17.577 11.388 -28.036 1.00 0.00 H new ATOM 0 HA ASN A 45 18.046 13.070 -30.324 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.106 10.835 -29.690 1.00 0.00 H new ATOM 0 HB3 ASN A 45 17.571 10.072 -30.056 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.136 10.396 -33.022 1.00 0.00 H new ATOM 0 HD22 ASN A 45 20.492 10.277 -31.296 1.00 0.00 H new ATOM 697 N PRO A 46 15.805 13.078 -31.607 1.00 0.00 N ATOM 698 CA PRO A 46 14.531 13.045 -32.323 1.00 0.00 C ATOM 699 C PRO A 46 14.095 11.640 -32.762 1.00 0.00 C ATOM 700 O PRO A 46 12.906 11.324 -32.709 1.00 0.00 O ATOM 701 CB PRO A 46 14.714 13.976 -33.525 1.00 0.00 C ATOM 702 CG PRO A 46 15.765 14.973 -33.041 1.00 0.00 C ATOM 703 CD PRO A 46 16.664 14.123 -32.145 1.00 0.00 C ATOM 0 HA PRO A 46 13.727 13.369 -31.662 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.052 13.432 -34.407 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.782 14.473 -33.794 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.320 15.408 -33.872 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.314 15.799 -32.491 1.00 0.00 H new ATOM 0 HD2 PRO A 46 17.492 13.697 -32.712 1.00 0.00 H new ATOM 0 HD3 PRO A 46 17.100 14.722 -31.346 1.00 0.00 H new ATOM 711 N ASN A 47 15.032 10.768 -33.148 1.00 0.00 N ATOM 712 CA ASN A 47 14.710 9.401 -33.556 1.00 0.00 C ATOM 713 C ASN A 47 14.290 8.557 -32.357 1.00 0.00 C ATOM 714 O ASN A 47 13.501 7.632 -32.533 1.00 0.00 O ATOM 715 CB ASN A 47 15.889 8.720 -34.268 1.00 0.00 C ATOM 716 CG ASN A 47 16.090 9.164 -35.713 1.00 0.00 C ATOM 717 OD1 ASN A 47 15.152 9.541 -36.409 1.00 0.00 O ATOM 718 ND2 ASN A 47 17.318 9.117 -36.206 1.00 0.00 N ATOM 0 H ASN A 47 16.027 10.989 -33.186 1.00 0.00 H new ATOM 0 HA ASN A 47 13.879 9.473 -34.258 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.802 8.921 -33.708 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.735 7.641 -34.250 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.491 9.396 -37.172 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.091 8.802 -35.620 1.00 0.00 H new ATOM 725 N ALA A 48 14.760 8.879 -31.146 1.00 0.00 N ATOM 726 CA ALA A 48 14.275 8.252 -29.929 1.00 0.00 C ATOM 727 C ALA A 48 12.793 8.589 -29.764 1.00 0.00 C ATOM 728 O ALA A 48 11.983 7.691 -29.539 1.00 0.00 O ATOM 729 CB ALA A 48 15.099 8.699 -28.707 1.00 0.00 C ATOM 0 H ALA A 48 15.485 9.580 -30.991 1.00 0.00 H new ATOM 0 HA ALA A 48 14.390 7.171 -30.002 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.713 8.214 -27.811 1.00 0.00 H new ATOM 0 HB2 ALA A 48 16.143 8.420 -28.850 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.025 9.781 -28.594 1.00 0.00 H new ATOM 735 N VAL A 49 12.420 9.865 -29.934 1.00 0.00 N ATOM 736 CA VAL A 49 11.018 10.272 -29.874 1.00 0.00 C ATOM 737 C VAL A 49 10.231 9.519 -30.948 1.00 0.00 C ATOM 738 O VAL A 49 9.230 8.892 -30.616 1.00 0.00 O ATOM 739 CB VAL A 49 10.836 11.804 -29.990 1.00 0.00 C ATOM 740 CG1 VAL A 49 9.371 12.199 -29.720 1.00 0.00 C ATOM 741 CG2 VAL A 49 11.726 12.556 -28.989 1.00 0.00 C ATOM 0 H VAL A 49 13.072 10.629 -30.114 1.00 0.00 H new ATOM 0 HA VAL A 49 10.625 10.009 -28.892 1.00 0.00 H new ATOM 0 HB VAL A 49 11.121 12.079 -31.005 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.264 13.280 -29.806 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.723 11.711 -30.448 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.089 11.886 -28.715 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.571 13.629 -29.100 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.467 12.255 -27.974 1.00 0.00 H new ATOM 0 HG23 VAL A 49 12.772 12.318 -29.182 1.00 0.00 H new ATOM 751 N LYS A 50 10.688 9.502 -32.208 1.00 0.00 N ATOM 752 CA LYS A 50 9.982 8.792 -33.278 1.00 0.00 C ATOM 753 C LYS A 50 9.812 7.313 -32.954 1.00 0.00 C ATOM 754 O LYS A 50 8.743 6.766 -33.216 1.00 0.00 O ATOM 755 CB LYS A 50 10.699 8.953 -34.632 1.00 0.00 C ATOM 756 CG LYS A 50 10.618 10.365 -35.241 1.00 0.00 C ATOM 757 CD LYS A 50 9.191 10.861 -35.546 1.00 0.00 C ATOM 758 CE LYS A 50 8.357 9.930 -36.443 1.00 0.00 C ATOM 759 NZ LYS A 50 8.884 9.830 -37.830 1.00 0.00 N ATOM 0 H LYS A 50 11.542 9.972 -32.509 1.00 0.00 H new ATOM 0 HA LYS A 50 8.993 9.244 -33.354 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.748 8.687 -34.506 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.273 8.242 -35.340 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.092 11.068 -34.556 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.197 10.380 -36.164 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.662 11.002 -34.603 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.257 11.838 -36.024 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.330 8.935 -35.998 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.329 10.292 -36.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.281 9.190 -38.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.885 10.772 -38.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.855 9.458 -37.807 1.00 0.00 H new ATOM 773 N ALA A 51 10.824 6.666 -32.378 1.00 0.00 N ATOM 774 CA ALA A 51 10.748 5.259 -32.034 1.00 0.00 C ATOM 775 C ALA A 51 9.660 5.046 -30.983 1.00 0.00 C ATOM 776 O ALA A 51 8.820 4.166 -31.156 1.00 0.00 O ATOM 777 CB ALA A 51 12.118 4.778 -31.545 1.00 0.00 C ATOM 0 H ALA A 51 11.713 7.106 -32.140 1.00 0.00 H new ATOM 0 HA ALA A 51 10.481 4.670 -32.912 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.061 3.721 -31.286 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.856 4.919 -32.334 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.412 5.351 -30.666 1.00 0.00 H new ATOM 783 N MET A 52 9.625 5.865 -29.930 1.00 0.00 N ATOM 784 CA MET A 52 8.614 5.731 -28.883 1.00 0.00 C ATOM 785 C MET A 52 7.223 6.087 -29.411 1.00 0.00 C ATOM 786 O MET A 52 6.229 5.446 -29.069 1.00 0.00 O ATOM 787 CB MET A 52 8.979 6.597 -27.670 1.00 0.00 C ATOM 788 CG MET A 52 10.293 6.171 -27.001 1.00 0.00 C ATOM 789 SD MET A 52 10.550 4.404 -26.671 1.00 0.00 S ATOM 790 CE MET A 52 9.055 4.064 -25.720 1.00 0.00 C ATOM 0 H MET A 52 10.286 6.628 -29.781 1.00 0.00 H new ATOM 0 HA MET A 52 8.590 4.689 -28.565 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.059 7.638 -27.985 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.172 6.546 -26.939 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.114 6.516 -27.629 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.372 6.702 -26.053 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.320 3.544 -24.799 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.557 5.003 -25.477 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.383 3.439 -26.309 1.00 0.00 H new ATOM 800 N LYS A 53 7.126 7.057 -30.310 1.00 0.00 N ATOM 801 CA LYS A 53 5.868 7.421 -30.942 1.00 0.00 C ATOM 802 C LYS A 53 5.372 6.315 -31.866 1.00 0.00 C ATOM 803 O LYS A 53 4.163 6.220 -32.072 1.00 0.00 O ATOM 804 CB LYS A 53 6.051 8.740 -31.697 1.00 0.00 C ATOM 805 CG LYS A 53 6.265 9.925 -30.732 1.00 0.00 C ATOM 806 CD LYS A 53 4.949 10.544 -30.243 1.00 0.00 C ATOM 807 CE LYS A 53 5.058 11.147 -28.834 1.00 0.00 C ATOM 808 NZ LYS A 53 5.808 12.427 -28.795 1.00 0.00 N ATOM 0 H LYS A 53 7.921 7.615 -30.622 1.00 0.00 H new ATOM 0 HA LYS A 53 5.106 7.553 -30.174 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.905 8.659 -32.369 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.175 8.929 -32.317 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.843 9.586 -29.872 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.857 10.691 -31.232 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.637 11.320 -30.942 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.171 9.781 -30.247 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.055 11.310 -28.439 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.547 10.428 -28.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.152 12.598 -27.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.617 12.375 -29.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.181 13.206 -29.082 1.00 0.00 H new ATOM 822 N GLU A 54 6.254 5.446 -32.372 1.00 0.00 N ATOM 823 CA GLU A 54 5.848 4.307 -33.183 1.00 0.00 C ATOM 824 C GLU A 54 5.058 3.297 -32.332 1.00 0.00 C ATOM 825 O GLU A 54 4.255 2.537 -32.874 1.00 0.00 O ATOM 826 CB GLU A 54 7.050 3.684 -33.925 1.00 0.00 C ATOM 827 CG GLU A 54 6.563 2.741 -35.039 1.00 0.00 C ATOM 828 CD GLU A 54 7.707 2.181 -35.892 1.00 0.00 C ATOM 829 OE1 GLU A 54 8.069 2.806 -36.914 1.00 0.00 O ATOM 830 OE2 GLU A 54 8.214 1.087 -35.553 1.00 0.00 O ATOM 0 H GLU A 54 7.261 5.517 -32.229 1.00 0.00 H new ATOM 0 HA GLU A 54 5.172 4.652 -33.965 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.670 4.472 -34.352 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.674 3.134 -33.221 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.012 1.914 -34.592 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.866 3.278 -35.683 1.00 0.00 H new ATOM 837 N VAL A 55 5.213 3.331 -31.000 1.00 0.00 N ATOM 838 CA VAL A 55 4.516 2.420 -30.086 1.00 0.00 C ATOM 839 C VAL A 55 3.458 3.146 -29.240 1.00 0.00 C ATOM 840 O VAL A 55 2.734 2.505 -28.478 1.00 0.00 O ATOM 841 CB VAL A 55 5.538 1.621 -29.253 1.00 0.00 C ATOM 842 CG1 VAL A 55 6.359 0.712 -30.183 1.00 0.00 C ATOM 843 CG2 VAL A 55 6.472 2.536 -28.450 1.00 0.00 C ATOM 0 H VAL A 55 5.827 3.994 -30.527 1.00 0.00 H new ATOM 0 HA VAL A 55 3.951 1.697 -30.674 1.00 0.00 H new ATOM 0 HB VAL A 55 4.984 1.016 -28.535 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.082 0.147 -29.594 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.692 0.021 -30.699 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.886 1.323 -30.916 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.174 1.928 -27.879 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.023 3.183 -29.133 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.883 3.148 -27.767 1.00 0.00 H new ATOM 853 N GLY A 56 3.322 4.465 -29.403 1.00 0.00 N ATOM 854 CA GLY A 56 2.283 5.253 -28.756 1.00 0.00 C ATOM 855 C GLY A 56 2.724 5.689 -27.364 1.00 0.00 C ATOM 856 O GLY A 56 1.897 5.772 -26.454 1.00 0.00 O ATOM 0 H GLY A 56 3.941 5.017 -29.997 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.055 6.130 -29.362 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.367 4.667 -28.685 1.00 0.00 H new ATOM 860 N ILE A 57 4.024 5.940 -27.189 1.00 0.00 N ATOM 861 CA ILE A 57 4.620 6.423 -25.957 1.00 0.00 C ATOM 862 C ILE A 57 5.220 7.788 -26.297 1.00 0.00 C ATOM 863 O ILE A 57 5.509 8.098 -27.457 1.00 0.00 O ATOM 864 CB ILE A 57 5.649 5.385 -25.435 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.929 4.078 -25.019 1.00 0.00 C ATOM 866 CG2 ILE A 57 6.492 5.942 -24.267 1.00 0.00 C ATOM 867 CD1 ILE A 57 5.860 2.899 -24.701 1.00 0.00 C ATOM 0 H ILE A 57 4.709 5.805 -27.933 1.00 0.00 H new ATOM 0 HA ILE A 57 3.906 6.544 -25.143 1.00 0.00 H new ATOM 0 HB ILE A 57 6.338 5.165 -26.250 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.314 4.283 -24.143 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.253 3.782 -25.821 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.199 5.182 -23.933 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.039 6.824 -24.601 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.835 6.214 -23.441 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.264 2.030 -24.420 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.458 2.660 -25.580 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.520 3.168 -23.876 1.00 0.00 H new ATOM 879 N ASP A 58 5.436 8.598 -25.269 1.00 0.00 N ATOM 880 CA ASP A 58 6.152 9.854 -25.367 1.00 0.00 C ATOM 881 C ASP A 58 7.310 9.832 -24.381 1.00 0.00 C ATOM 882 O ASP A 58 7.183 9.308 -23.270 1.00 0.00 O ATOM 883 CB ASP A 58 5.228 11.041 -25.070 1.00 0.00 C ATOM 884 CG ASP A 58 6.070 12.312 -25.075 1.00 0.00 C ATOM 885 OD1 ASP A 58 6.637 12.612 -26.153 1.00 0.00 O ATOM 886 OD2 ASP A 58 6.316 12.888 -23.994 1.00 0.00 O ATOM 0 H ASP A 58 5.109 8.392 -24.325 1.00 0.00 H new ATOM 0 HA ASP A 58 6.527 9.974 -26.383 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.438 11.105 -25.819 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.741 10.911 -24.104 1.00 0.00 H new ATOM 891 N ILE A 59 8.419 10.447 -24.784 1.00 0.00 N ATOM 892 CA ILE A 59 9.575 10.724 -23.940 1.00 0.00 C ATOM 893 C ILE A 59 9.970 12.209 -24.047 1.00 0.00 C ATOM 894 O ILE A 59 10.912 12.648 -23.397 1.00 0.00 O ATOM 895 CB ILE A 59 10.720 9.722 -24.240 1.00 0.00 C ATOM 896 CG1 ILE A 59 11.046 9.623 -25.746 1.00 0.00 C ATOM 897 CG2 ILE A 59 10.347 8.336 -23.680 1.00 0.00 C ATOM 898 CD1 ILE A 59 12.373 8.902 -26.019 1.00 0.00 C ATOM 0 H ILE A 59 8.540 10.777 -25.741 1.00 0.00 H new ATOM 0 HA ILE A 59 9.324 10.565 -22.891 1.00 0.00 H new ATOM 0 HB ILE A 59 11.620 10.094 -23.750 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.239 9.095 -26.254 1.00 0.00 H new ATOM 0 HG13 ILE A 59 11.088 10.626 -26.171 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.151 7.630 -23.890 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.199 8.407 -22.602 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.427 7.989 -24.151 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.551 8.862 -27.094 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.187 9.443 -25.537 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.325 7.888 -25.621 1.00 0.00 H new ATOM 910 N SER A 60 9.222 13.035 -24.785 1.00 0.00 N ATOM 911 CA SER A 60 9.424 14.485 -24.792 1.00 0.00 C ATOM 912 C SER A 60 9.238 15.077 -23.381 1.00 0.00 C ATOM 913 O SER A 60 9.873 16.069 -23.028 1.00 0.00 O ATOM 914 CB SER A 60 8.479 15.161 -25.798 1.00 0.00 C ATOM 915 OG SER A 60 8.323 14.390 -26.975 1.00 0.00 O ATOM 0 H SER A 60 8.464 12.719 -25.390 1.00 0.00 H new ATOM 0 HA SER A 60 10.450 14.681 -25.104 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.505 15.316 -25.334 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.869 16.145 -26.058 1.00 0.00 H new ATOM 0 HG SER A 60 7.453 13.938 -26.957 1.00 0.00 H new ATOM 921 N ASN A 61 8.405 14.433 -22.555 1.00 0.00 N ATOM 922 CA ASN A 61 8.155 14.754 -21.148 1.00 0.00 C ATOM 923 C ASN A 61 9.364 14.584 -20.213 1.00 0.00 C ATOM 924 O ASN A 61 9.233 14.907 -19.030 1.00 0.00 O ATOM 925 CB ASN A 61 6.996 13.887 -20.614 1.00 0.00 C ATOM 926 CG ASN A 61 7.349 12.401 -20.538 1.00 0.00 C ATOM 927 OD1 ASN A 61 7.880 11.902 -19.547 1.00 0.00 O ATOM 928 ND2 ASN A 61 7.072 11.674 -21.605 1.00 0.00 N ATOM 0 H ASN A 61 7.859 13.631 -22.869 1.00 0.00 H new ATOM 0 HA ASN A 61 7.910 15.816 -21.140 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.713 14.239 -19.622 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.126 14.016 -21.258 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.299 10.680 -21.617 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.631 12.107 -22.417 1.00 0.00 H new ATOM 935 N GLN A 62 10.514 14.082 -20.677 1.00 0.00 N ATOM 936 CA GLN A 62 11.627 13.687 -19.805 1.00 0.00 C ATOM 937 C GLN A 62 12.967 14.131 -20.396 1.00 0.00 C ATOM 938 O GLN A 62 13.906 13.341 -20.516 1.00 0.00 O ATOM 939 CB GLN A 62 11.550 12.175 -19.495 1.00 0.00 C ATOM 940 CG GLN A 62 11.375 11.350 -20.774 1.00 0.00 C ATOM 941 CD GLN A 62 11.604 9.858 -20.628 1.00 0.00 C ATOM 942 OE1 GLN A 62 10.768 9.128 -20.104 1.00 0.00 O ATOM 943 NE2 GLN A 62 12.703 9.379 -21.171 1.00 0.00 N ATOM 0 H GLN A 62 10.700 13.938 -21.670 1.00 0.00 H new ATOM 0 HA GLN A 62 11.544 14.202 -18.848 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.458 11.861 -18.979 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.717 11.983 -18.819 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.365 11.509 -21.152 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.062 11.733 -21.529 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.378 10.012 -21.599 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.879 8.374 -21.164 1.00 0.00 H new ATOM 952 N THR A 63 13.041 15.403 -20.793 1.00 0.00 N ATOM 953 CA THR A 63 14.243 16.027 -21.330 1.00 0.00 C ATOM 954 C THR A 63 15.465 15.694 -20.459 1.00 0.00 C ATOM 955 O THR A 63 15.419 15.785 -19.226 1.00 0.00 O ATOM 956 CB THR A 63 13.993 17.540 -21.489 1.00 0.00 C ATOM 957 OG1 THR A 63 13.315 18.084 -20.366 1.00 0.00 O ATOM 958 CG2 THR A 63 13.097 17.799 -22.705 1.00 0.00 C ATOM 0 H THR A 63 12.245 16.040 -20.747 1.00 0.00 H new ATOM 0 HA THR A 63 14.471 15.627 -22.318 1.00 0.00 H new ATOM 0 HB THR A 63 14.972 18.007 -21.598 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.176 19.044 -20.502 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.926 18.870 -22.809 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.584 17.420 -23.603 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.142 17.291 -22.568 1.00 0.00 H new ATOM 966 N SER A 64 16.540 15.269 -21.121 1.00 0.00 N ATOM 967 CA SER A 64 17.726 14.688 -20.536 1.00 0.00 C ATOM 968 C SER A 64 18.428 15.555 -19.496 1.00 0.00 C ATOM 969 O SER A 64 18.352 16.788 -19.521 1.00 0.00 O ATOM 970 CB SER A 64 18.682 14.376 -21.684 1.00 0.00 C ATOM 971 OG SER A 64 17.999 13.754 -22.754 1.00 0.00 O ATOM 0 H SER A 64 16.600 15.329 -22.137 1.00 0.00 H new ATOM 0 HA SER A 64 17.418 13.799 -19.985 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.151 15.296 -22.032 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.481 13.725 -21.330 1.00 0.00 H new ATOM 0 HG SER A 64 18.249 12.807 -22.795 1.00 0.00 H new ATOM 977 N ASP A 65 19.187 14.885 -18.629 1.00 0.00 N ATOM 978 CA ASP A 65 20.090 15.495 -17.660 1.00 0.00 C ATOM 979 C ASP A 65 21.219 14.511 -17.337 1.00 0.00 C ATOM 980 O ASP A 65 21.071 13.300 -17.530 1.00 0.00 O ATOM 981 CB ASP A 65 19.319 15.872 -16.382 1.00 0.00 C ATOM 982 CG ASP A 65 20.153 16.710 -15.394 1.00 0.00 C ATOM 983 OD1 ASP A 65 21.120 17.381 -15.817 1.00 0.00 O ATOM 984 OD2 ASP A 65 19.794 16.750 -14.195 1.00 0.00 O ATOM 0 H ASP A 65 19.188 13.866 -18.583 1.00 0.00 H new ATOM 0 HA ASP A 65 20.518 16.405 -18.080 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.424 16.431 -16.657 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.986 14.961 -15.885 1.00 0.00 H new ATOM 989 N ILE A 66 22.353 15.028 -16.867 1.00 0.00 N ATOM 990 CA ILE A 66 23.439 14.233 -16.316 1.00 0.00 C ATOM 991 C ILE A 66 23.001 13.633 -14.972 1.00 0.00 C ATOM 992 O ILE A 66 22.000 14.044 -14.377 1.00 0.00 O ATOM 993 CB ILE A 66 24.751 15.058 -16.186 1.00 0.00 C ATOM 994 CG1 ILE A 66 24.606 16.574 -15.903 1.00 0.00 C ATOM 995 CG2 ILE A 66 25.609 14.809 -17.427 1.00 0.00 C ATOM 996 CD1 ILE A 66 24.414 17.484 -17.133 1.00 0.00 C ATOM 0 H ILE A 66 22.542 16.030 -16.860 1.00 0.00 H new ATOM 0 HA ILE A 66 23.663 13.418 -17.004 1.00 0.00 H new ATOM 0 HB ILE A 66 25.231 14.694 -15.277 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.756 16.718 -15.235 1.00 0.00 H new ATOM 0 HG13 ILE A 66 25.494 16.908 -15.366 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.534 15.381 -17.351 1.00 0.00 H new ATOM 0 HG22 ILE A 66 25.844 13.747 -17.500 1.00 0.00 H new ATOM 0 HG23 ILE A 66 25.062 15.121 -18.316 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.325 18.521 -16.808 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.273 17.384 -17.797 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.509 17.191 -17.665 1.00 0.00 H new ATOM 1008 N ILE A 67 23.764 12.642 -14.510 1.00 0.00 N ATOM 1009 CA ILE A 67 23.540 11.940 -13.253 1.00 0.00 C ATOM 1010 C ILE A 67 23.491 12.951 -12.103 1.00 0.00 C ATOM 1011 O ILE A 67 24.303 13.878 -12.032 1.00 0.00 O ATOM 1012 CB ILE A 67 24.635 10.861 -13.067 1.00 0.00 C ATOM 1013 CG1 ILE A 67 24.426 9.722 -14.089 1.00 0.00 C ATOM 1014 CG2 ILE A 67 24.641 10.262 -11.653 1.00 0.00 C ATOM 1015 CD1 ILE A 67 25.626 8.783 -14.237 1.00 0.00 C ATOM 0 H ILE A 67 24.579 12.298 -15.018 1.00 0.00 H new ATOM 0 HA ILE A 67 22.580 11.425 -13.262 1.00 0.00 H new ATOM 0 HB ILE A 67 25.594 11.354 -13.226 1.00 0.00 H new ATOM 0 HG12 ILE A 67 23.556 9.137 -13.791 1.00 0.00 H new ATOM 0 HG13 ILE A 67 24.199 10.159 -15.061 1.00 0.00 H new ATOM 0 HG21 ILE A 67 25.428 9.512 -11.579 1.00 0.00 H new ATOM 0 HG22 ILE A 67 24.823 11.052 -10.924 1.00 0.00 H new ATOM 0 HG23 ILE A 67 23.676 9.797 -11.451 1.00 0.00 H new ATOM 0 HD11 ILE A 67 25.396 8.012 -14.973 1.00 0.00 H new ATOM 0 HD12 ILE A 67 26.495 9.352 -14.567 1.00 0.00 H new ATOM 0 HD13 ILE A 67 25.842 8.315 -13.277 1.00 0.00 H new ATOM 1027 N ASP A 68 22.566 12.711 -11.175 1.00 0.00 N ATOM 1028 CA ASP A 68 22.419 13.438 -9.921 1.00 0.00 C ATOM 1029 C ASP A 68 22.309 12.446 -8.760 1.00 0.00 C ATOM 1030 O ASP A 68 21.631 11.413 -8.862 1.00 0.00 O ATOM 1031 CB ASP A 68 21.177 14.333 -9.979 1.00 0.00 C ATOM 1032 CG ASP A 68 21.185 15.351 -8.830 1.00 0.00 C ATOM 1033 OD1 ASP A 68 20.951 14.955 -7.670 1.00 0.00 O ATOM 1034 OD2 ASP A 68 21.436 16.551 -9.086 1.00 0.00 O ATOM 0 H ASP A 68 21.871 11.973 -11.284 1.00 0.00 H new ATOM 0 HA ASP A 68 23.294 14.068 -9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 68 21.145 14.856 -10.935 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.278 13.719 -9.921 1.00 0.00 H new ATOM 1039 N SER A 69 22.985 12.762 -7.655 1.00 0.00 N ATOM 1040 CA SER A 69 23.036 11.967 -6.436 1.00 0.00 C ATOM 1041 C SER A 69 21.656 11.699 -5.830 1.00 0.00 C ATOM 1042 O SER A 69 21.464 10.666 -5.184 1.00 0.00 O ATOM 1043 CB SER A 69 23.940 12.679 -5.420 1.00 0.00 C ATOM 1044 OG SER A 69 25.159 13.085 -6.031 1.00 0.00 O ATOM 0 H SER A 69 23.535 13.618 -7.586 1.00 0.00 H new ATOM 0 HA SER A 69 23.443 10.989 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 69 23.424 13.549 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 69 24.151 12.013 -4.583 1.00 0.00 H new ATOM 0 HG SER A 69 25.722 13.538 -5.369 1.00 0.00 H new ATOM 1050 N ASP A 70 20.686 12.589 -6.059 1.00 0.00 N ATOM 1051 CA ASP A 70 19.349 12.541 -5.463 1.00 0.00 C ATOM 1052 C ASP A 70 18.522 11.370 -5.999 1.00 0.00 C ATOM 1053 O ASP A 70 17.486 11.018 -5.432 1.00 0.00 O ATOM 1054 CB ASP A 70 18.613 13.861 -5.717 1.00 0.00 C ATOM 1055 CG ASP A 70 17.248 13.915 -5.007 1.00 0.00 C ATOM 1056 OD1 ASP A 70 17.213 13.914 -3.755 1.00 0.00 O ATOM 1057 OD2 ASP A 70 16.207 14.034 -5.693 1.00 0.00 O ATOM 0 H ASP A 70 20.814 13.386 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 70 19.474 12.391 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 70 19.231 14.691 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 70 18.468 13.993 -6.789 1.00 0.00 H new ATOM 1062 N ILE A 71 18.996 10.743 -7.078 1.00 0.00 N ATOM 1063 CA ILE A 71 18.398 9.563 -7.667 1.00 0.00 C ATOM 1064 C ILE A 71 19.373 8.402 -7.461 1.00 0.00 C ATOM 1065 O ILE A 71 18.924 7.338 -7.055 1.00 0.00 O ATOM 1066 CB ILE A 71 18.052 9.825 -9.146 1.00 0.00 C ATOM 1067 CG1 ILE A 71 17.168 11.078 -9.373 1.00 0.00 C ATOM 1068 CG2 ILE A 71 17.333 8.594 -9.713 1.00 0.00 C ATOM 1069 CD1 ILE A 71 17.453 11.716 -10.735 1.00 0.00 C ATOM 0 H ILE A 71 19.830 11.058 -7.573 1.00 0.00 H new ATOM 0 HA ILE A 71 17.453 9.304 -7.189 1.00 0.00 H new ATOM 0 HB ILE A 71 18.995 10.015 -9.659 1.00 0.00 H new ATOM 0 HG12 ILE A 71 16.116 10.800 -9.311 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.353 11.805 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.083 8.768 -10.760 1.00 0.00 H new ATOM 0 HG22 ILE A 71 17.985 7.724 -9.636 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.419 8.414 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 71 16.818 12.592 -10.866 1.00 0.00 H new ATOM 0 HD12 ILE A 71 18.500 12.015 -10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 71 17.244 10.995 -11.525 1.00 0.00 H new ATOM 1081 N LEU A 72 20.690 8.598 -7.630 1.00 0.00 N ATOM 1082 CA LEU A 72 21.695 7.540 -7.412 1.00 0.00 C ATOM 1083 C LEU A 72 21.478 6.828 -6.078 1.00 0.00 C ATOM 1084 O LEU A 72 21.289 5.616 -6.042 1.00 0.00 O ATOM 1085 CB LEU A 72 23.132 8.096 -7.366 1.00 0.00 C ATOM 1086 CG LEU A 72 23.797 8.475 -8.692 1.00 0.00 C ATOM 1087 CD1 LEU A 72 25.152 9.116 -8.369 1.00 0.00 C ATOM 1088 CD2 LEU A 72 24.013 7.245 -9.586 1.00 0.00 C ATOM 0 H LEU A 72 21.090 9.490 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 72 21.574 6.858 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 72 23.128 8.981 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 72 23.762 7.354 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 72 23.151 9.166 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.651 9.398 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 72 24.998 10.004 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 72 25.772 8.403 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 72 24.487 7.552 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.654 6.529 -9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.051 6.780 -9.804 1.00 0.00 H new ATOM 1100 N ASN A 73 21.514 7.596 -4.986 1.00 0.00 N ATOM 1101 CA ASN A 73 21.445 7.061 -3.624 1.00 0.00 C ATOM 1102 C ASN A 73 20.018 6.691 -3.192 1.00 0.00 C ATOM 1103 O ASN A 73 19.812 6.239 -2.066 1.00 0.00 O ATOM 1104 CB ASN A 73 22.095 8.037 -2.616 1.00 0.00 C ATOM 1105 CG ASN A 73 21.102 8.970 -1.915 1.00 0.00 C ATOM 1106 OD1 ASN A 73 20.832 8.832 -0.725 1.00 0.00 O ATOM 1107 ND2 ASN A 73 20.536 9.939 -2.617 1.00 0.00 N ATOM 0 H ASN A 73 21.592 8.612 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 73 22.013 6.131 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.629 7.460 -1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 73 22.837 8.641 -3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 73 19.874 10.573 -2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 73 20.762 10.052 -3.605 1.00 0.00 H new ATOM 1114 N ASN A 74 19.035 6.883 -4.074 1.00 0.00 N ATOM 1115 CA ASN A 74 17.610 6.809 -3.768 1.00 0.00 C ATOM 1116 C ASN A 74 16.913 5.706 -4.570 1.00 0.00 C ATOM 1117 O ASN A 74 15.978 5.075 -4.083 1.00 0.00 O ATOM 1118 CB ASN A 74 17.063 8.201 -4.112 1.00 0.00 C ATOM 1119 CG ASN A 74 15.576 8.432 -3.880 1.00 0.00 C ATOM 1120 OD1 ASN A 74 14.889 7.703 -3.171 1.00 0.00 O ATOM 1121 ND2 ASN A 74 15.067 9.502 -4.467 1.00 0.00 N ATOM 0 H ASN A 74 19.218 7.102 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 74 17.430 6.550 -2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 74 17.616 8.937 -3.528 1.00 0.00 H new ATOM 0 HB3 ASN A 74 17.278 8.400 -5.162 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.083 9.737 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.658 10.093 -5.052 1.00 0.00 H new ATOM 1128 N ALA A 75 17.393 5.440 -5.784 1.00 0.00 N ATOM 1129 CA ALA A 75 16.872 4.432 -6.684 1.00 0.00 C ATOM 1130 C ALA A 75 17.034 3.051 -6.060 1.00 0.00 C ATOM 1131 O ALA A 75 18.124 2.678 -5.625 1.00 0.00 O ATOM 1132 CB ALA A 75 17.543 4.571 -8.048 1.00 0.00 C ATOM 0 H ALA A 75 18.188 5.946 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 75 15.803 4.573 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.151 3.812 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.339 5.561 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 75 18.619 4.439 -7.939 1.00 0.00 H new ATOM 1138 N ASP A 76 15.937 2.295 -6.022 1.00 0.00 N ATOM 1139 CA ASP A 76 15.931 0.919 -5.531 1.00 0.00 C ATOM 1140 C ASP A 76 16.700 0.000 -6.482 1.00 0.00 C ATOM 1141 O ASP A 76 17.251 -1.018 -6.060 1.00 0.00 O ATOM 1142 CB ASP A 76 14.496 0.410 -5.365 1.00 0.00 C ATOM 1143 CG ASP A 76 14.479 -1.039 -4.850 1.00 0.00 C ATOM 1144 OD1 ASP A 76 14.873 -1.276 -3.686 1.00 0.00 O ATOM 1145 OD2 ASP A 76 14.001 -1.931 -5.586 1.00 0.00 O ATOM 0 H ASP A 76 15.023 2.623 -6.333 1.00 0.00 H new ATOM 0 HA ASP A 76 16.423 0.909 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.957 1.053 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.974 0.466 -6.320 1.00 0.00 H new ATOM 1150 N LEU A 77 16.780 0.390 -7.758 1.00 0.00 N ATOM 1151 CA LEU A 77 17.581 -0.276 -8.773 1.00 0.00 C ATOM 1152 C LEU A 77 18.114 0.782 -9.726 1.00 0.00 C ATOM 1153 O LEU A 77 17.389 1.701 -10.113 1.00 0.00 O ATOM 1154 CB LEU A 77 16.719 -1.301 -9.538 1.00 0.00 C ATOM 1155 CG LEU A 77 17.453 -1.995 -10.707 1.00 0.00 C ATOM 1156 CD1 LEU A 77 18.653 -2.827 -10.239 1.00 0.00 C ATOM 1157 CD2 LEU A 77 16.485 -2.912 -11.455 1.00 0.00 C ATOM 0 H LEU A 77 16.274 1.200 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 77 18.410 -0.810 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.372 -2.061 -8.839 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.834 -0.797 -9.927 1.00 0.00 H new ATOM 0 HG LEU A 77 17.824 -1.205 -11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.132 -3.292 -11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.369 -2.180 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.313 -3.601 -9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.008 -3.399 -12.278 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.099 -3.669 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.657 -2.323 -11.849 1.00 0.00 H new ATOM 1169 N VAL A 78 19.357 0.607 -10.152 1.00 0.00 N ATOM 1170 CA VAL A 78 19.969 1.379 -11.218 1.00 0.00 C ATOM 1171 C VAL A 78 20.352 0.363 -12.299 1.00 0.00 C ATOM 1172 O VAL A 78 20.592 -0.805 -11.991 1.00 0.00 O ATOM 1173 CB VAL A 78 21.157 2.188 -10.651 1.00 0.00 C ATOM 1174 CG1 VAL A 78 21.753 3.122 -11.712 1.00 0.00 C ATOM 1175 CG2 VAL A 78 20.755 3.041 -9.435 1.00 0.00 C ATOM 0 H VAL A 78 19.982 -0.094 -9.754 1.00 0.00 H new ATOM 0 HA VAL A 78 19.306 2.124 -11.657 1.00 0.00 H new ATOM 0 HB VAL A 78 21.897 1.450 -10.341 1.00 0.00 H new ATOM 0 HG11 VAL A 78 22.587 3.677 -11.281 1.00 0.00 H new ATOM 0 HG12 VAL A 78 22.108 2.533 -12.558 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.989 3.821 -12.052 1.00 0.00 H new ATOM 0 HG21 VAL A 78 21.624 3.591 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 78 19.976 3.745 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 78 20.380 2.392 -8.643 1.00 0.00 H new ATOM 1185 N VAL A 79 20.422 0.765 -13.564 1.00 0.00 N ATOM 1186 CA VAL A 79 20.787 -0.124 -14.659 1.00 0.00 C ATOM 1187 C VAL A 79 21.693 0.674 -15.593 1.00 0.00 C ATOM 1188 O VAL A 79 21.372 1.822 -15.900 1.00 0.00 O ATOM 1189 CB VAL A 79 19.522 -0.640 -15.387 1.00 0.00 C ATOM 1190 CG1 VAL A 79 19.872 -1.797 -16.334 1.00 0.00 C ATOM 1191 CG2 VAL A 79 18.389 -1.108 -14.452 1.00 0.00 C ATOM 0 H VAL A 79 20.226 1.722 -13.859 1.00 0.00 H new ATOM 0 HA VAL A 79 21.311 -1.007 -14.294 1.00 0.00 H new ATOM 0 HB VAL A 79 19.151 0.225 -15.937 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.968 -2.144 -16.835 1.00 0.00 H new ATOM 0 HG12 VAL A 79 20.590 -1.453 -17.079 1.00 0.00 H new ATOM 0 HG13 VAL A 79 20.307 -2.617 -15.762 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.544 -1.452 -15.048 1.00 0.00 H new ATOM 0 HG22 VAL A 79 18.748 -1.925 -13.826 1.00 0.00 H new ATOM 0 HG23 VAL A 79 18.073 -0.278 -13.820 1.00 0.00 H new ATOM 1201 N THR A 80 22.790 0.081 -16.069 1.00 0.00 N ATOM 1202 CA THR A 80 23.647 0.691 -17.087 1.00 0.00 C ATOM 1203 C THR A 80 23.489 -0.059 -18.402 1.00 0.00 C ATOM 1204 O THR A 80 23.737 -1.265 -18.484 1.00 0.00 O ATOM 1205 CB THR A 80 25.116 0.760 -16.636 1.00 0.00 C ATOM 1206 OG1 THR A 80 25.500 -0.341 -15.829 1.00 0.00 O ATOM 1207 CG2 THR A 80 25.364 2.051 -15.860 1.00 0.00 C ATOM 0 H THR A 80 23.109 -0.837 -15.759 1.00 0.00 H new ATOM 0 HA THR A 80 23.330 1.723 -17.236 1.00 0.00 H new ATOM 0 HB THR A 80 25.720 0.732 -17.543 1.00 0.00 H new ATOM 0 HG1 THR A 80 26.234 -0.825 -16.263 1.00 0.00 H new ATOM 0 HG21 THR A 80 26.407 2.091 -15.545 1.00 0.00 H new ATOM 0 HG22 THR A 80 25.145 2.907 -16.498 1.00 0.00 H new ATOM 0 HG23 THR A 80 24.718 2.078 -14.982 1.00 0.00 H new ATOM 1215 N LEU A 81 23.095 0.663 -19.450 1.00 0.00 N ATOM 1216 CA LEU A 81 22.735 0.092 -20.752 1.00 0.00 C ATOM 1217 C LEU A 81 23.955 0.159 -21.701 1.00 0.00 C ATOM 1218 O LEU A 81 23.817 0.260 -22.922 1.00 0.00 O ATOM 1219 CB LEU A 81 21.480 0.802 -21.323 1.00 0.00 C ATOM 1220 CG LEU A 81 20.131 0.645 -20.571 1.00 0.00 C ATOM 1221 CD1 LEU A 81 20.126 1.161 -19.124 1.00 0.00 C ATOM 1222 CD2 LEU A 81 19.012 1.412 -21.294 1.00 0.00 C ATOM 0 H LEU A 81 23.015 1.679 -19.420 1.00 0.00 H new ATOM 0 HA LEU A 81 22.470 -0.959 -20.641 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.702 1.867 -21.386 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.334 0.446 -22.343 1.00 0.00 H new ATOM 0 HG LEU A 81 19.972 -0.433 -20.556 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.140 1.006 -18.686 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.871 0.619 -18.542 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.364 2.225 -19.116 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.076 1.288 -20.750 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.268 2.471 -21.340 1.00 0.00 H new ATOM 0 HD23 LEU A 81 18.898 1.022 -22.305 1.00 0.00 H new ATOM 1234 N CYS A 82 25.170 0.188 -21.140 1.00 0.00 N ATOM 1235 CA CYS A 82 26.441 0.457 -21.808 1.00 0.00 C ATOM 1236 C CYS A 82 26.956 -0.724 -22.653 1.00 0.00 C ATOM 1237 O CYS A 82 27.960 -1.341 -22.302 1.00 0.00 O ATOM 1238 CB CYS A 82 27.475 0.924 -20.765 1.00 0.00 C ATOM 1239 SG CYS A 82 27.724 -0.179 -19.339 1.00 0.00 S ATOM 0 H CYS A 82 25.295 0.012 -20.143 1.00 0.00 H new ATOM 0 HA CYS A 82 26.274 1.256 -22.530 1.00 0.00 H new ATOM 0 HB2 CYS A 82 28.433 1.058 -21.267 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.170 1.902 -20.393 1.00 0.00 H new ATOM 0 HG CYS A 82 28.618 0.332 -18.546 1.00 0.00 H new ATOM 1244 N GLY A 83 26.288 -1.064 -23.759 1.00 0.00 N ATOM 1245 CA GLY A 83 26.796 -2.041 -24.733 1.00 0.00 C ATOM 1246 C GLY A 83 27.134 -1.368 -26.069 1.00 0.00 C ATOM 1247 O GLY A 83 27.317 -2.040 -27.084 1.00 0.00 O ATOM 0 H GLY A 83 25.380 -0.671 -24.007 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.685 -2.528 -24.333 1.00 0.00 H new ATOM 0 HA3 GLY A 83 26.050 -2.820 -24.893 1.00 0.00 H new ATOM 1327 N PRO A 90 28.728 4.418 -16.862 1.00 0.00 N ATOM 1328 CA PRO A 90 28.613 5.414 -15.801 1.00 0.00 C ATOM 1329 C PRO A 90 28.679 4.828 -14.385 1.00 0.00 C ATOM 1330 O PRO A 90 28.092 3.780 -14.098 1.00 0.00 O ATOM 1331 CB PRO A 90 27.284 6.120 -16.035 1.00 0.00 C ATOM 1332 CG PRO A 90 27.015 5.946 -17.524 1.00 0.00 C ATOM 1333 CD PRO A 90 27.699 4.635 -17.873 1.00 0.00 C ATOM 0 HA PRO A 90 29.463 6.094 -15.849 1.00 0.00 H new ATOM 0 HB2 PRO A 90 26.489 5.678 -15.434 1.00 0.00 H new ATOM 0 HB3 PRO A 90 27.341 7.174 -15.763 1.00 0.00 H new ATOM 0 HG2 PRO A 90 25.946 5.906 -17.734 1.00 0.00 H new ATOM 0 HG3 PRO A 90 27.423 6.775 -18.102 1.00 0.00 H new ATOM 0 HD2 PRO A 90 26.982 3.814 -17.878 1.00 0.00 H new ATOM 0 HD3 PRO A 90 28.139 4.681 -18.869 1.00 0.00 H new ATOM 1341 N MET A 91 29.385 5.529 -13.500 1.00 0.00 N ATOM 1342 CA MET A 91 29.572 5.161 -12.113 1.00 0.00 C ATOM 1343 C MET A 91 28.261 5.267 -11.329 1.00 0.00 C ATOM 1344 O MET A 91 27.443 6.163 -11.553 1.00 0.00 O ATOM 1345 CB MET A 91 30.686 6.018 -11.478 1.00 0.00 C ATOM 1346 CG MET A 91 30.390 7.524 -11.369 1.00 0.00 C ATOM 1347 SD MET A 91 30.327 8.461 -12.927 1.00 0.00 S ATOM 1348 CE MET A 91 29.758 10.062 -12.296 1.00 0.00 C ATOM 0 H MET A 91 29.857 6.399 -13.746 1.00 0.00 H new ATOM 0 HA MET A 91 29.884 4.118 -12.072 1.00 0.00 H new ATOM 0 HB2 MET A 91 30.890 5.633 -10.479 1.00 0.00 H new ATOM 0 HB3 MET A 91 31.597 5.887 -12.062 1.00 0.00 H new ATOM 0 HG2 MET A 91 29.434 7.647 -10.860 1.00 0.00 H new ATOM 0 HG3 MET A 91 31.151 7.975 -10.732 1.00 0.00 H new ATOM 0 HE1 MET A 91 29.663 10.766 -13.123 1.00 0.00 H new ATOM 0 HE2 MET A 91 28.790 9.939 -11.811 1.00 0.00 H new ATOM 0 HE3 MET A 91 30.479 10.446 -11.574 1.00 0.00 H new ATOM 1358 N THR A 92 28.118 4.381 -10.350 1.00 0.00 N ATOM 1359 CA THR A 92 27.060 4.341 -9.356 1.00 0.00 C ATOM 1360 C THR A 92 27.688 4.126 -7.964 1.00 0.00 C ATOM 1361 O THR A 92 28.818 3.629 -7.883 1.00 0.00 O ATOM 1362 CB THR A 92 26.121 3.187 -9.738 1.00 0.00 C ATOM 1363 OG1 THR A 92 26.838 1.969 -9.885 1.00 0.00 O ATOM 1364 CG2 THR A 92 25.420 3.454 -11.071 1.00 0.00 C ATOM 0 H THR A 92 28.786 3.621 -10.224 1.00 0.00 H new ATOM 0 HA THR A 92 26.494 5.272 -9.323 1.00 0.00 H new ATOM 0 HB THR A 92 25.391 3.111 -8.932 1.00 0.00 H new ATOM 0 HG1 THR A 92 26.396 1.265 -9.367 1.00 0.00 H new ATOM 0 HG21 THR A 92 24.763 2.618 -11.311 1.00 0.00 H new ATOM 0 HG22 THR A 92 24.831 4.368 -10.996 1.00 0.00 H new ATOM 0 HG23 THR A 92 26.166 3.567 -11.858 1.00 0.00 H new ATOM 1372 N PRO A 93 26.995 4.461 -6.858 1.00 0.00 N ATOM 1373 CA PRO A 93 27.487 4.152 -5.521 1.00 0.00 C ATOM 1374 C PRO A 93 27.440 2.628 -5.297 1.00 0.00 C ATOM 1375 O PRO A 93 26.437 1.998 -5.644 1.00 0.00 O ATOM 1376 CB PRO A 93 26.565 4.912 -4.560 1.00 0.00 C ATOM 1377 CG PRO A 93 25.251 5.011 -5.331 1.00 0.00 C ATOM 1378 CD PRO A 93 25.704 5.129 -6.787 1.00 0.00 C ATOM 0 HA PRO A 93 28.523 4.453 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 93 26.439 4.378 -3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 93 26.963 5.897 -4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 93 24.626 4.132 -5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 93 24.667 5.877 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 93 24.985 4.661 -7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 93 25.788 6.174 -7.087 1.00 0.00 H new ATOM 1386 N PRO A 94 28.462 2.017 -4.671 1.00 0.00 N ATOM 1387 CA PRO A 94 28.509 0.572 -4.451 1.00 0.00 C ATOM 1388 C PRO A 94 27.461 0.108 -3.428 1.00 0.00 C ATOM 1389 O PRO A 94 27.116 -1.075 -3.391 1.00 0.00 O ATOM 1390 CB PRO A 94 29.938 0.281 -3.983 1.00 0.00 C ATOM 1391 CG PRO A 94 30.358 1.581 -3.298 1.00 0.00 C ATOM 1392 CD PRO A 94 29.644 2.656 -4.116 1.00 0.00 C ATOM 0 HA PRO A 94 28.267 0.022 -5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 94 29.971 -0.564 -3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 94 30.593 0.038 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 94 30.052 1.602 -2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 94 31.440 1.714 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 94 29.371 3.506 -3.490 1.00 0.00 H new ATOM 0 HD3 PRO A 94 30.289 3.037 -4.907 1.00 0.00 H new ATOM 1400 N HIS A 95 26.935 1.033 -2.615 1.00 0.00 N ATOM 1401 CA HIS A 95 25.850 0.784 -1.674 1.00 0.00 C ATOM 1402 C HIS A 95 24.540 0.407 -2.390 1.00 0.00 C ATOM 1403 O HIS A 95 23.660 -0.184 -1.761 1.00 0.00 O ATOM 1404 CB HIS A 95 25.665 2.040 -0.805 1.00 0.00 C ATOM 1405 CG HIS A 95 24.679 1.873 0.327 1.00 0.00 C ATOM 1406 ND1 HIS A 95 24.904 1.218 1.519 1.00 0.00 N ATOM 1407 CD2 HIS A 95 23.395 2.350 0.366 1.00 0.00 C ATOM 1408 CE1 HIS A 95 23.784 1.298 2.256 1.00 0.00 C ATOM 1409 NE2 HIS A 95 22.829 1.981 1.594 1.00 0.00 N ATOM 0 H HIS A 95 27.265 1.998 -2.598 1.00 0.00 H new ATOM 0 HA HIS A 95 26.110 -0.069 -1.047 1.00 0.00 H new ATOM 0 HB2 HIS A 95 26.632 2.326 -0.390 1.00 0.00 H new ATOM 0 HB3 HIS A 95 25.335 2.862 -1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 95 22.904 2.913 -0.414 1.00 0.00 H new ATOM 0 HE1 HIS A 95 23.665 0.874 3.242 1.00 0.00 H new ATOM 0 HE2 HIS A 95 21.885 2.188 1.921 1.00 0.00 H new ATOM 1417 N VAL A 96 24.392 0.728 -3.681 1.00 0.00 N ATOM 1418 CA VAL A 96 23.128 0.575 -4.403 1.00 0.00 C ATOM 1419 C VAL A 96 23.272 -0.549 -5.433 1.00 0.00 C ATOM 1420 O VAL A 96 24.288 -0.659 -6.125 1.00 0.00 O ATOM 1421 CB VAL A 96 22.701 1.929 -5.008 1.00 0.00 C ATOM 1422 CG1 VAL A 96 21.385 1.832 -5.789 1.00 0.00 C ATOM 1423 CG2 VAL A 96 22.510 2.973 -3.889 1.00 0.00 C ATOM 0 H VAL A 96 25.149 1.102 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 96 22.324 0.282 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 96 23.495 2.226 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.129 2.811 -6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 96 21.499 1.120 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.590 1.496 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.209 3.925 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 96 21.738 2.630 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.448 3.103 -3.349 1.00 0.00 H new ATOM 1433 N LYS A 97 22.246 -1.404 -5.521 1.00 0.00 N ATOM 1434 CA LYS A 97 22.164 -2.485 -6.494 1.00 0.00 C ATOM 1435 C LYS A 97 22.126 -1.881 -7.897 1.00 0.00 C ATOM 1436 O LYS A 97 21.311 -0.996 -8.175 1.00 0.00 O ATOM 1437 CB LYS A 97 20.915 -3.339 -6.186 1.00 0.00 C ATOM 1438 CG LYS A 97 20.567 -4.412 -7.232 1.00 0.00 C ATOM 1439 CD LYS A 97 21.671 -5.449 -7.483 1.00 0.00 C ATOM 1440 CE LYS A 97 21.235 -6.367 -8.634 1.00 0.00 C ATOM 1441 NZ LYS A 97 22.389 -6.945 -9.359 1.00 0.00 N ATOM 0 H LYS A 97 21.436 -1.358 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 97 23.034 -3.139 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.061 -3.830 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.059 -2.673 -6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.665 -4.933 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 97 20.331 -3.918 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 97 22.608 -4.950 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.851 -6.034 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.616 -7.173 -8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.616 -5.803 -9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 22.047 -7.502 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 23.003 -6.179 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 22.929 -7.561 -8.718 1.00 0.00 H new ATOM 1455 N ARG A 98 22.955 -2.415 -8.795 1.00 0.00 N ATOM 1456 CA ARG A 98 22.919 -2.095 -10.216 1.00 0.00 C ATOM 1457 C ARG A 98 22.724 -3.376 -11.021 1.00 0.00 C ATOM 1458 O ARG A 98 23.044 -4.466 -10.543 1.00 0.00 O ATOM 1459 CB ARG A 98 24.199 -1.348 -10.650 1.00 0.00 C ATOM 1460 CG ARG A 98 23.929 -0.400 -11.835 1.00 0.00 C ATOM 1461 CD ARG A 98 25.099 -0.229 -12.800 1.00 0.00 C ATOM 1462 NE ARG A 98 26.294 0.349 -12.175 1.00 0.00 N ATOM 1463 CZ ARG A 98 27.499 0.433 -12.744 1.00 0.00 C ATOM 1464 NH1 ARG A 98 27.698 0.018 -13.993 1.00 0.00 N ATOM 1465 NH2 ARG A 98 28.499 0.932 -12.028 1.00 0.00 N ATOM 0 H ARG A 98 23.679 -3.090 -8.549 1.00 0.00 H new ATOM 0 HA ARG A 98 22.078 -1.428 -10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 98 24.591 -0.777 -9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 98 24.966 -2.071 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 98 23.069 -0.773 -12.392 1.00 0.00 H new ATOM 0 HG3 ARG A 98 23.654 0.579 -11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 98 25.354 -1.200 -13.224 1.00 0.00 H new ATOM 0 HD3 ARG A 98 24.787 0.408 -13.627 1.00 0.00 H new ATOM 0 HE ARG A 98 26.196 0.717 -11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 98 26.924 -0.371 -14.531 1.00 0.00 H new ATOM 0 HH12 ARG A 98 28.625 0.089 -14.413 1.00 0.00 H new ATOM 0 HH21 ARG A 98 28.336 1.239 -11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 98 29.430 1.008 -12.437 1.00 0.00 H new ATOM 1479 N GLU A 99 22.258 -3.237 -12.256 1.00 0.00 N ATOM 1480 CA GLU A 99 22.186 -4.269 -13.281 1.00 0.00 C ATOM 1481 C GLU A 99 22.842 -3.699 -14.545 1.00 0.00 C ATOM 1482 O GLU A 99 23.114 -2.496 -14.626 1.00 0.00 O ATOM 1483 CB GLU A 99 20.713 -4.648 -13.536 1.00 0.00 C ATOM 1484 CG GLU A 99 20.172 -5.703 -12.560 1.00 0.00 C ATOM 1485 CD GLU A 99 20.801 -7.092 -12.778 1.00 0.00 C ATOM 1486 OE1 GLU A 99 20.624 -7.686 -13.866 1.00 0.00 O ATOM 1487 OE2 GLU A 99 21.467 -7.607 -11.853 1.00 0.00 O ATOM 0 H GLU A 99 21.897 -2.343 -12.589 1.00 0.00 H new ATOM 0 HA GLU A 99 22.705 -5.176 -12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 99 20.098 -3.751 -13.465 1.00 0.00 H new ATOM 0 HB3 GLU A 99 20.614 -5.023 -14.555 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.364 -5.378 -11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.090 -5.776 -12.674 1.00 0.00 H new ATOM 1494 N HIS A 100 23.076 -4.545 -15.550 1.00 0.00 N ATOM 1495 CA HIS A 100 23.730 -4.159 -16.791 1.00 0.00 C ATOM 1496 C HIS A 100 22.966 -4.779 -17.957 1.00 0.00 C ATOM 1497 O HIS A 100 22.783 -5.998 -18.006 1.00 0.00 O ATOM 1498 CB HIS A 100 25.197 -4.607 -16.757 1.00 0.00 C ATOM 1499 CG HIS A 100 25.935 -4.381 -18.053 1.00 0.00 C ATOM 1500 ND1 HIS A 100 25.838 -3.280 -18.878 1.00 0.00 N ATOM 1501 CD2 HIS A 100 26.815 -5.250 -18.640 1.00 0.00 C ATOM 1502 CE1 HIS A 100 26.650 -3.485 -19.929 1.00 0.00 C ATOM 1503 NE2 HIS A 100 27.265 -4.678 -19.836 1.00 0.00 N ATOM 0 H HIS A 100 22.811 -5.530 -15.519 1.00 0.00 H new ATOM 0 HA HIS A 100 23.723 -3.076 -16.916 1.00 0.00 H new ATOM 0 HB2 HIS A 100 25.712 -4.072 -15.959 1.00 0.00 H new ATOM 0 HB3 HIS A 100 25.237 -5.667 -16.507 1.00 0.00 H new ATOM 0 HD1 HIS A 100 25.255 -2.458 -18.719 1.00 0.00 H new ATOM 0 HD2 HIS A 100 27.111 -6.212 -18.248 1.00 0.00 H new ATOM 0 HE1 HIS A 100 26.790 -2.786 -20.740 1.00 0.00 H new ATOM 1511 N TRP A 101 22.498 -3.932 -18.875 1.00 0.00 N ATOM 1512 CA TRP A 101 21.645 -4.284 -20.010 1.00 0.00 C ATOM 1513 C TRP A 101 22.342 -3.764 -21.278 1.00 0.00 C ATOM 1514 O TRP A 101 21.834 -2.877 -21.960 1.00 0.00 O ATOM 1515 CB TRP A 101 20.230 -3.684 -19.834 1.00 0.00 C ATOM 1516 CG TRP A 101 19.263 -4.280 -18.845 1.00 0.00 C ATOM 1517 CD1 TRP A 101 19.544 -4.976 -17.719 1.00 0.00 C ATOM 1518 CD2 TRP A 101 17.801 -4.205 -18.890 1.00 0.00 C ATOM 1519 NE1 TRP A 101 18.380 -5.322 -17.067 1.00 0.00 N ATOM 1520 CE2 TRP A 101 17.270 -4.870 -17.743 1.00 0.00 C ATOM 1521 CE3 TRP A 101 16.867 -3.640 -19.788 1.00 0.00 C ATOM 1522 CZ2 TRP A 101 15.893 -4.963 -17.495 1.00 0.00 C ATOM 1523 CZ3 TRP A 101 15.480 -3.735 -19.555 1.00 0.00 C ATOM 1524 CH2 TRP A 101 14.996 -4.390 -18.409 1.00 0.00 C ATOM 0 H TRP A 101 22.714 -2.936 -18.846 1.00 0.00 H new ATOM 0 HA TRP A 101 21.509 -5.363 -20.083 1.00 0.00 H new ATOM 0 HB2 TRP A 101 20.357 -2.635 -19.567 1.00 0.00 H new ATOM 0 HB3 TRP A 101 19.747 -3.708 -20.811 1.00 0.00 H new ATOM 0 HD1 TRP A 101 20.539 -5.225 -17.380 1.00 0.00 H new ATOM 0 HE1 TRP A 101 18.346 -5.847 -16.193 1.00 0.00 H new ATOM 0 HE3 TRP A 101 17.223 -3.126 -20.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 15.528 -5.468 -16.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 14.786 -3.303 -20.260 1.00 0.00 H new ATOM 0 HH2 TRP A 101 13.932 -4.452 -18.232 1.00 0.00 H new ATOM 1535 N GLY A 102 23.572 -4.213 -21.541 1.00 0.00 N ATOM 1536 CA GLY A 102 24.364 -3.695 -22.640 1.00 0.00 C ATOM 1537 C GLY A 102 23.808 -4.121 -24.000 1.00 0.00 C ATOM 1538 O GLY A 102 23.661 -5.313 -24.276 1.00 0.00 O ATOM 0 H GLY A 102 24.037 -4.941 -20.998 1.00 0.00 H new ATOM 0 HA2 GLY A 102 24.392 -2.607 -22.585 1.00 0.00 H new ATOM 0 HA3 GLY A 102 25.391 -4.046 -22.543 1.00 0.00 H new ATOM 1542 N PHE A 103 23.546 -3.131 -24.852 1.00 0.00 N ATOM 1543 CA PHE A 103 23.228 -3.240 -26.272 1.00 0.00 C ATOM 1544 C PHE A 103 23.700 -1.926 -26.908 1.00 0.00 C ATOM 1545 O PHE A 103 23.918 -0.936 -26.199 1.00 0.00 O ATOM 1546 CB PHE A 103 21.734 -3.528 -26.524 1.00 0.00 C ATOM 1547 CG PHE A 103 20.759 -2.983 -25.493 1.00 0.00 C ATOM 1548 CD1 PHE A 103 20.633 -1.594 -25.302 1.00 0.00 C ATOM 1549 CD2 PHE A 103 20.004 -3.870 -24.698 1.00 0.00 C ATOM 1550 CE1 PHE A 103 19.796 -1.101 -24.288 1.00 0.00 C ATOM 1551 CE2 PHE A 103 19.155 -3.373 -23.695 1.00 0.00 C ATOM 1552 CZ PHE A 103 19.070 -1.988 -23.473 1.00 0.00 C ATOM 0 H PHE A 103 23.551 -2.159 -24.543 1.00 0.00 H new ATOM 0 HA PHE A 103 23.735 -4.092 -26.724 1.00 0.00 H new ATOM 0 HB2 PHE A 103 21.466 -3.118 -27.498 1.00 0.00 H new ATOM 0 HB3 PHE A 103 21.599 -4.608 -26.585 1.00 0.00 H new ATOM 0 HD1 PHE A 103 21.179 -0.909 -25.934 1.00 0.00 H new ATOM 0 HD2 PHE A 103 20.079 -4.935 -24.861 1.00 0.00 H new ATOM 0 HE1 PHE A 103 19.709 -0.036 -24.133 1.00 0.00 H new ATOM 0 HE2 PHE A 103 18.569 -4.054 -23.096 1.00 0.00 H new ATOM 0 HZ PHE A 103 18.448 -1.605 -22.677 1.00 0.00 H new ATOM 1562 N ASP A 104 23.929 -1.927 -28.222 1.00 0.00 N ATOM 1563 CA ASP A 104 24.539 -0.796 -28.909 1.00 0.00 C ATOM 1564 C ASP A 104 23.589 0.398 -28.938 1.00 0.00 C ATOM 1565 O ASP A 104 22.366 0.241 -28.952 1.00 0.00 O ATOM 1566 CB ASP A 104 25.005 -1.186 -30.317 1.00 0.00 C ATOM 1567 CG ASP A 104 25.778 -0.056 -31.030 1.00 0.00 C ATOM 1568 OD1 ASP A 104 26.474 0.735 -30.352 1.00 0.00 O ATOM 1569 OD2 ASP A 104 25.733 -0.009 -32.280 1.00 0.00 O ATOM 0 H ASP A 104 23.697 -2.709 -28.834 1.00 0.00 H new ATOM 0 HA ASP A 104 25.425 -0.498 -28.349 1.00 0.00 H new ATOM 0 HB2 ASP A 104 25.641 -2.069 -30.252 1.00 0.00 H new ATOM 0 HB3 ASP A 104 24.138 -1.461 -30.918 1.00 0.00 H new ATOM 1574 N ASP A 105 24.157 1.599 -28.935 1.00 0.00 N ATOM 1575 CA ASP A 105 23.385 2.833 -29.020 1.00 0.00 C ATOM 1576 C ASP A 105 22.889 3.021 -30.457 1.00 0.00 C ATOM 1577 O ASP A 105 23.708 3.011 -31.380 1.00 0.00 O ATOM 1578 CB ASP A 105 24.204 4.054 -28.599 1.00 0.00 C ATOM 1579 CG ASP A 105 23.254 5.234 -28.382 1.00 0.00 C ATOM 1580 OD1 ASP A 105 22.748 5.792 -29.380 1.00 0.00 O ATOM 1581 OD2 ASP A 105 22.964 5.523 -27.198 1.00 0.00 O ATOM 0 H ASP A 105 25.165 1.744 -28.874 1.00 0.00 H new ATOM 0 HA ASP A 105 22.543 2.748 -28.333 1.00 0.00 H new ATOM 0 HB2 ASP A 105 24.756 3.841 -27.684 1.00 0.00 H new ATOM 0 HB3 ASP A 105 24.940 4.298 -29.366 1.00 0.00 H new ATOM 1586 N PRO A 106 21.581 3.204 -30.693 1.00 0.00 N ATOM 1587 CA PRO A 106 21.061 3.287 -32.047 1.00 0.00 C ATOM 1588 C PRO A 106 21.517 4.541 -32.800 1.00 0.00 C ATOM 1589 O PRO A 106 21.628 4.496 -34.026 1.00 0.00 O ATOM 1590 CB PRO A 106 19.547 3.201 -31.895 1.00 0.00 C ATOM 1591 CG PRO A 106 19.269 3.712 -30.483 1.00 0.00 C ATOM 1592 CD PRO A 106 20.509 3.266 -29.714 1.00 0.00 C ATOM 0 HA PRO A 106 21.449 2.478 -32.667 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.039 3.809 -32.643 1.00 0.00 H new ATOM 0 HB3 PRO A 106 19.194 2.178 -32.022 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.147 4.795 -30.461 1.00 0.00 H new ATOM 0 HG3 PRO A 106 18.358 3.280 -30.068 1.00 0.00 H new ATOM 0 HD2 PRO A 106 20.748 3.969 -28.916 1.00 0.00 H new ATOM 0 HD3 PRO A 106 20.350 2.295 -29.246 1.00 0.00 H new ATOM 1600 N ALA A 107 21.864 5.631 -32.108 1.00 0.00 N ATOM 1601 CA ALA A 107 22.444 6.807 -32.740 1.00 0.00 C ATOM 1602 C ALA A 107 23.905 6.581 -33.150 1.00 0.00 C ATOM 1603 O ALA A 107 24.479 7.429 -33.837 1.00 0.00 O ATOM 1604 CB ALA A 107 22.323 8.025 -31.821 1.00 0.00 C ATOM 0 H ALA A 107 21.749 5.717 -31.098 1.00 0.00 H new ATOM 0 HA ALA A 107 21.879 6.997 -33.653 1.00 0.00 H new ATOM 0 HB1 ALA A 107 22.762 8.895 -32.310 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.271 8.219 -31.611 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.850 7.830 -30.887 1.00 0.00 H new ATOM 1610 N ARG A 108 24.512 5.452 -32.764 1.00 0.00 N ATOM 1611 CA ARG A 108 25.902 5.102 -33.064 1.00 0.00 C ATOM 1612 C ARG A 108 25.970 3.873 -33.983 1.00 0.00 C ATOM 1613 O ARG A 108 27.072 3.447 -34.337 1.00 0.00 O ATOM 1614 CB ARG A 108 26.663 4.951 -31.729 1.00 0.00 C ATOM 1615 CG ARG A 108 28.184 5.129 -31.871 1.00 0.00 C ATOM 1616 CD ARG A 108 28.850 5.441 -30.521 1.00 0.00 C ATOM 1617 NE ARG A 108 30.278 5.772 -30.693 1.00 0.00 N ATOM 1618 CZ ARG A 108 30.991 6.621 -29.939 1.00 0.00 C ATOM 1619 NH1 ARG A 108 30.430 7.264 -28.916 1.00 0.00 N ATOM 1620 NH2 ARG A 108 32.275 6.825 -30.215 1.00 0.00 N ATOM 0 H ARG A 108 24.033 4.736 -32.218 1.00 0.00 H new ATOM 0 HA ARG A 108 26.396 5.892 -33.629 1.00 0.00 H new ATOM 0 HB2 ARG A 108 26.283 5.685 -31.018 1.00 0.00 H new ATOM 0 HB3 ARG A 108 26.457 3.966 -31.311 1.00 0.00 H new ATOM 0 HG2 ARG A 108 28.619 4.221 -32.290 1.00 0.00 H new ATOM 0 HG3 ARG A 108 28.392 5.936 -32.574 1.00 0.00 H new ATOM 0 HD2 ARG A 108 28.336 6.275 -30.043 1.00 0.00 H new ATOM 0 HD3 ARG A 108 28.751 4.583 -29.857 1.00 0.00 H new ATOM 0 HE ARG A 108 30.769 5.311 -31.459 1.00 0.00 H new ATOM 0 HH11 ARG A 108 29.445 7.113 -28.697 1.00 0.00 H new ATOM 0 HH12 ARG A 108 30.985 7.907 -28.351 1.00 0.00 H new ATOM 0 HH21 ARG A 108 32.712 6.337 -30.997 1.00 0.00 H new ATOM 0 HH22 ARG A 108 32.823 7.470 -29.645 1.00 0.00 H new ATOM 1634 N ALA A 109 24.818 3.357 -34.432 1.00 0.00 N ATOM 1635 CA ALA A 109 24.659 2.337 -35.464 1.00 0.00 C ATOM 1636 C ALA A 109 25.004 2.918 -36.847 1.00 0.00 C ATOM 1637 O ALA A 109 24.134 3.096 -37.701 1.00 0.00 O ATOM 1638 CB ALA A 109 23.232 1.770 -35.411 1.00 0.00 C ATOM 0 H ALA A 109 23.920 3.663 -34.058 1.00 0.00 H new ATOM 0 HA ALA A 109 25.351 1.515 -35.282 1.00 0.00 H new ATOM 0 HB1 ALA A 109 23.114 1.008 -36.182 1.00 0.00 H new ATOM 0 HB2 ALA A 109 23.053 1.326 -34.432 1.00 0.00 H new ATOM 0 HB3 ALA A 109 22.515 2.573 -35.582 1.00 0.00 H new ATOM 1644 N GLN A 110 26.266 3.303 -37.028 1.00 0.00 N ATOM 1645 CA GLN A 110 26.767 4.041 -38.176 1.00 0.00 C ATOM 1646 C GLN A 110 26.527 3.256 -39.470 1.00 0.00 C ATOM 1647 O GLN A 110 26.722 2.038 -39.532 1.00 0.00 O ATOM 1648 CB GLN A 110 28.265 4.321 -37.967 1.00 0.00 C ATOM 1649 CG GLN A 110 28.531 5.338 -36.839 1.00 0.00 C ATOM 1650 CD GLN A 110 29.840 5.035 -36.109 1.00 0.00 C ATOM 1651 OE1 GLN A 110 30.912 5.497 -36.492 1.00 0.00 O ATOM 1652 NE2 GLN A 110 29.784 4.237 -35.052 1.00 0.00 N ATOM 0 H GLN A 110 26.996 3.098 -36.346 1.00 0.00 H new ATOM 0 HA GLN A 110 26.233 4.987 -38.268 1.00 0.00 H new ATOM 0 HB2 GLN A 110 28.776 3.386 -37.735 1.00 0.00 H new ATOM 0 HB3 GLN A 110 28.693 4.696 -38.897 1.00 0.00 H new ATOM 0 HG2 GLN A 110 28.570 6.344 -37.257 1.00 0.00 H new ATOM 0 HG3 GLN A 110 27.704 5.320 -36.129 1.00 0.00 H new ATOM 0 HE21 GLN A 110 28.887 3.860 -34.744 1.00 0.00 H new ATOM 0 HE22 GLN A 110 30.637 4.000 -34.546 1.00 0.00 H new ATOM 1661 N GLY A 111 26.137 3.991 -40.508 1.00 0.00 N ATOM 1662 CA GLY A 111 25.948 3.501 -41.866 1.00 0.00 C ATOM 1663 C GLY A 111 25.235 4.575 -42.680 1.00 0.00 C ATOM 1664 O GLY A 111 25.788 5.084 -43.657 1.00 0.00 O ATOM 0 H GLY A 111 25.936 4.987 -40.419 1.00 0.00 H new ATOM 0 HA2 GLY A 111 26.910 3.261 -42.318 1.00 0.00 H new ATOM 0 HA3 GLY A 111 25.362 2.582 -41.858 1.00 0.00 H new ATOM 1668 N THR A 112 24.052 4.983 -42.217 1.00 0.00 N ATOM 1669 CA THR A 112 23.287 6.124 -42.706 1.00 0.00 C ATOM 1670 C THR A 112 22.186 6.411 -41.679 1.00 0.00 C ATOM 1671 O THR A 112 21.957 5.609 -40.769 1.00 0.00 O ATOM 1672 CB THR A 112 22.777 5.866 -44.148 1.00 0.00 C ATOM 1673 OG1 THR A 112 22.033 6.970 -44.624 1.00 0.00 O ATOM 1674 CG2 THR A 112 21.920 4.603 -44.295 1.00 0.00 C ATOM 0 H THR A 112 23.581 4.500 -41.452 1.00 0.00 H new ATOM 0 HA THR A 112 23.902 7.020 -42.795 1.00 0.00 H new ATOM 0 HB THR A 112 23.680 5.719 -44.741 1.00 0.00 H new ATOM 0 HG1 THR A 112 21.723 6.787 -45.535 1.00 0.00 H new ATOM 0 HG21 THR A 112 21.604 4.496 -45.333 1.00 0.00 H new ATOM 0 HG22 THR A 112 22.504 3.731 -44.002 1.00 0.00 H new ATOM 0 HG23 THR A 112 21.041 4.683 -43.655 1.00 0.00 H new ATOM 1682 N GLU A 113 21.497 7.544 -41.809 1.00 0.00 N ATOM 1683 CA GLU A 113 20.418 7.923 -40.906 1.00 0.00 C ATOM 1684 C GLU A 113 19.278 6.899 -40.938 1.00 0.00 C ATOM 1685 O GLU A 113 18.633 6.678 -39.918 1.00 0.00 O ATOM 1686 CB GLU A 113 19.929 9.350 -41.207 1.00 0.00 C ATOM 1687 CG GLU A 113 19.327 9.538 -42.609 1.00 0.00 C ATOM 1688 CD GLU A 113 18.910 11.000 -42.848 1.00 0.00 C ATOM 1689 OE1 GLU A 113 17.750 11.366 -42.549 1.00 0.00 O ATOM 1690 OE2 GLU A 113 19.730 11.800 -43.356 1.00 0.00 O ATOM 0 H GLU A 113 21.674 8.225 -42.547 1.00 0.00 H new ATOM 0 HA GLU A 113 20.809 7.924 -39.888 1.00 0.00 H new ATOM 0 HB2 GLU A 113 19.181 9.628 -40.465 1.00 0.00 H new ATOM 0 HB3 GLU A 113 20.766 10.039 -41.090 1.00 0.00 H new ATOM 0 HG2 GLU A 113 20.055 9.238 -43.363 1.00 0.00 H new ATOM 0 HG3 GLU A 113 18.461 8.887 -42.725 1.00 0.00 H new ATOM 1697 N GLU A 114 19.060 6.236 -42.077 1.00 0.00 N ATOM 1698 CA GLU A 114 18.059 5.185 -42.198 1.00 0.00 C ATOM 1699 C GLU A 114 18.494 3.932 -41.429 1.00 0.00 C ATOM 1700 O GLU A 114 17.667 3.278 -40.797 1.00 0.00 O ATOM 1701 CB GLU A 114 17.794 4.896 -43.683 1.00 0.00 C ATOM 1702 CG GLU A 114 16.670 3.871 -43.892 1.00 0.00 C ATOM 1703 CD GLU A 114 16.329 3.703 -45.382 1.00 0.00 C ATOM 1704 OE1 GLU A 114 16.954 2.861 -46.067 1.00 0.00 O ATOM 1705 OE2 GLU A 114 15.415 4.397 -45.886 1.00 0.00 O ATOM 0 H GLU A 114 19.575 6.417 -42.939 1.00 0.00 H new ATOM 0 HA GLU A 114 17.123 5.518 -41.750 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.533 5.825 -44.189 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.709 4.527 -44.147 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.971 2.910 -43.476 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.781 4.189 -43.348 1.00 0.00 H new ATOM 1712 N GLU A 115 19.792 3.614 -41.434 1.00 0.00 N ATOM 1713 CA GLU A 115 20.339 2.492 -40.684 1.00 0.00 C ATOM 1714 C GLU A 115 20.205 2.783 -39.188 1.00 0.00 C ATOM 1715 O GLU A 115 19.699 1.949 -38.437 1.00 0.00 O ATOM 1716 CB GLU A 115 21.804 2.250 -41.093 1.00 0.00 C ATOM 1717 CG GLU A 115 22.404 0.964 -40.508 1.00 0.00 C ATOM 1718 CD GLU A 115 21.798 -0.306 -41.137 1.00 0.00 C ATOM 1719 OE1 GLU A 115 22.277 -0.746 -42.206 1.00 0.00 O ATOM 1720 OE2 GLU A 115 20.853 -0.889 -40.561 1.00 0.00 O ATOM 0 H GLU A 115 20.492 4.134 -41.963 1.00 0.00 H new ATOM 0 HA GLU A 115 19.785 1.580 -40.908 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.866 2.207 -42.180 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.406 3.100 -40.773 1.00 0.00 H new ATOM 0 HG2 GLU A 115 23.483 0.965 -40.666 1.00 0.00 H new ATOM 0 HG3 GLU A 115 22.239 0.947 -39.431 1.00 0.00 H new ATOM 1727 N LYS A 116 20.575 3.997 -38.764 1.00 0.00 N ATOM 1728 CA LYS A 116 20.396 4.454 -37.392 1.00 0.00 C ATOM 1729 C LYS A 116 18.925 4.364 -36.995 1.00 0.00 C ATOM 1730 O LYS A 116 18.612 3.798 -35.951 1.00 0.00 O ATOM 1731 CB LYS A 116 20.946 5.880 -37.231 1.00 0.00 C ATOM 1732 CG LYS A 116 22.481 5.913 -37.251 1.00 0.00 C ATOM 1733 CD LYS A 116 22.999 7.324 -36.945 1.00 0.00 C ATOM 1734 CE LYS A 116 24.531 7.359 -37.026 1.00 0.00 C ATOM 1735 NZ LYS A 116 25.094 8.564 -36.368 1.00 0.00 N ATOM 0 H LYS A 116 21.010 4.691 -39.372 1.00 0.00 H new ATOM 0 HA LYS A 116 20.959 3.807 -36.720 1.00 0.00 H new ATOM 0 HB2 LYS A 116 20.560 6.510 -38.033 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.587 6.303 -36.293 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.874 5.209 -36.517 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.844 5.591 -38.227 1.00 0.00 H new ATOM 0 HD2 LYS A 116 22.574 8.036 -37.653 1.00 0.00 H new ATOM 0 HD3 LYS A 116 22.674 7.630 -35.951 1.00 0.00 H new ATOM 0 HE2 LYS A 116 24.940 6.465 -36.556 1.00 0.00 H new ATOM 0 HE3 LYS A 116 24.840 7.339 -38.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 26.095 8.667 -36.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 24.567 9.406 -36.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 25.015 8.465 -35.336 1.00 0.00 H new ATOM 1749 N TRP A 117 18.011 4.869 -37.826 1.00 0.00 N ATOM 1750 CA TRP A 117 16.577 4.828 -37.566 1.00 0.00 C ATOM 1751 C TRP A 117 16.054 3.389 -37.457 1.00 0.00 C ATOM 1752 O TRP A 117 15.195 3.110 -36.614 1.00 0.00 O ATOM 1753 CB TRP A 117 15.848 5.618 -38.662 1.00 0.00 C ATOM 1754 CG TRP A 117 14.360 5.453 -38.706 1.00 0.00 C ATOM 1755 CD1 TRP A 117 13.659 5.049 -39.787 1.00 0.00 C ATOM 1756 CD2 TRP A 117 13.382 5.588 -37.628 1.00 0.00 C ATOM 1757 NE1 TRP A 117 12.327 4.919 -39.459 1.00 0.00 N ATOM 1758 CE2 TRP A 117 12.094 5.238 -38.137 1.00 0.00 C ATOM 1759 CE3 TRP A 117 13.459 5.916 -36.258 1.00 0.00 C ATOM 1760 CZ2 TRP A 117 10.950 5.202 -37.325 1.00 0.00 C ATOM 1761 CZ3 TRP A 117 12.320 5.869 -35.433 1.00 0.00 C ATOM 1762 CH2 TRP A 117 11.068 5.511 -35.961 1.00 0.00 C ATOM 0 H TRP A 117 18.252 5.322 -38.707 1.00 0.00 H new ATOM 0 HA TRP A 117 16.379 5.292 -36.600 1.00 0.00 H new ATOM 0 HB2 TRP A 117 16.073 6.676 -38.531 1.00 0.00 H new ATOM 0 HB3 TRP A 117 16.256 5.322 -39.629 1.00 0.00 H new ATOM 0 HD1 TRP A 117 14.080 4.856 -40.763 1.00 0.00 H new ATOM 0 HE1 TRP A 117 11.602 4.623 -40.113 1.00 0.00 H new ATOM 0 HE3 TRP A 117 14.409 6.208 -35.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 9.990 4.940 -37.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 12.409 6.110 -34.384 1.00 0.00 H new ATOM 0 HH2 TRP A 117 10.200 5.474 -35.320 1.00 0.00 H new ATOM 1773 N ALA A 118 16.561 2.459 -38.270 1.00 0.00 N ATOM 1774 CA ALA A 118 16.165 1.063 -38.185 1.00 0.00 C ATOM 1775 C ALA A 118 16.657 0.466 -36.868 1.00 0.00 C ATOM 1776 O ALA A 118 15.905 -0.213 -36.165 1.00 0.00 O ATOM 1777 CB ALA A 118 16.690 0.290 -39.398 1.00 0.00 C ATOM 0 H ALA A 118 17.250 2.655 -38.996 1.00 0.00 H new ATOM 0 HA ALA A 118 15.078 0.988 -38.198 1.00 0.00 H new ATOM 0 HB1 ALA A 118 16.387 -0.754 -39.323 1.00 0.00 H new ATOM 0 HB2 ALA A 118 16.279 0.722 -40.310 1.00 0.00 H new ATOM 0 HB3 ALA A 118 17.778 0.351 -39.425 1.00 0.00 H new ATOM 1783 N PHE A 119 17.899 0.768 -36.495 1.00 0.00 N ATOM 1784 CA PHE A 119 18.481 0.308 -35.245 1.00 0.00 C ATOM 1785 C PHE A 119 17.738 0.902 -34.044 1.00 0.00 C ATOM 1786 O PHE A 119 17.583 0.223 -33.033 1.00 0.00 O ATOM 1787 CB PHE A 119 19.986 0.610 -35.207 1.00 0.00 C ATOM 1788 CG PHE A 119 20.792 -0.456 -34.486 1.00 0.00 C ATOM 1789 CD1 PHE A 119 20.950 -0.414 -33.090 1.00 0.00 C ATOM 1790 CD2 PHE A 119 21.380 -1.507 -35.219 1.00 0.00 C ATOM 1791 CE1 PHE A 119 21.689 -1.409 -32.428 1.00 0.00 C ATOM 1792 CE2 PHE A 119 22.124 -2.500 -34.557 1.00 0.00 C ATOM 1793 CZ PHE A 119 22.279 -2.452 -33.160 1.00 0.00 C ATOM 0 H PHE A 119 18.529 1.341 -37.056 1.00 0.00 H new ATOM 0 HA PHE A 119 18.367 -0.774 -35.183 1.00 0.00 H new ATOM 0 HB2 PHE A 119 20.356 0.708 -36.228 1.00 0.00 H new ATOM 0 HB3 PHE A 119 20.145 1.570 -34.717 1.00 0.00 H new ATOM 0 HD1 PHE A 119 20.501 0.388 -32.523 1.00 0.00 H new ATOM 0 HD2 PHE A 119 21.259 -1.550 -36.291 1.00 0.00 H new ATOM 0 HE1 PHE A 119 21.803 -1.372 -31.355 1.00 0.00 H new ATOM 0 HE2 PHE A 119 22.577 -3.301 -35.122 1.00 0.00 H new ATOM 0 HZ PHE A 119 22.850 -3.215 -32.652 1.00 0.00 H new ATOM 1803 N PHE A 120 17.226 2.131 -34.153 1.00 0.00 N ATOM 1804 CA PHE A 120 16.382 2.753 -33.136 1.00 0.00 C ATOM 1805 C PHE A 120 15.152 1.901 -32.873 1.00 0.00 C ATOM 1806 O PHE A 120 14.874 1.599 -31.717 1.00 0.00 O ATOM 1807 CB PHE A 120 15.985 4.189 -33.533 1.00 0.00 C ATOM 1808 CG PHE A 120 16.761 5.271 -32.816 1.00 0.00 C ATOM 1809 CD1 PHE A 120 16.460 5.559 -31.473 1.00 0.00 C ATOM 1810 CD2 PHE A 120 17.782 5.985 -33.473 1.00 0.00 C ATOM 1811 CE1 PHE A 120 17.177 6.554 -30.790 1.00 0.00 C ATOM 1812 CE2 PHE A 120 18.495 6.985 -32.790 1.00 0.00 C ATOM 1813 CZ PHE A 120 18.181 7.279 -31.453 1.00 0.00 C ATOM 0 H PHE A 120 17.390 2.728 -34.963 1.00 0.00 H new ATOM 0 HA PHE A 120 16.960 2.818 -32.214 1.00 0.00 H new ATOM 0 HB2 PHE A 120 16.126 4.308 -34.607 1.00 0.00 H new ATOM 0 HB3 PHE A 120 14.922 4.328 -33.334 1.00 0.00 H new ATOM 0 HD1 PHE A 120 15.677 5.014 -30.967 1.00 0.00 H new ATOM 0 HD2 PHE A 120 18.017 5.764 -34.504 1.00 0.00 H new ATOM 0 HE1 PHE A 120 16.956 6.762 -29.753 1.00 0.00 H new ATOM 0 HE2 PHE A 120 19.283 7.526 -33.292 1.00 0.00 H new ATOM 0 HZ PHE A 120 18.712 8.063 -30.934 1.00 0.00 H new ATOM 1823 N GLN A 121 14.445 1.464 -33.918 1.00 0.00 N ATOM 1824 CA GLN A 121 13.287 0.592 -33.754 1.00 0.00 C ATOM 1825 C GLN A 121 13.696 -0.739 -33.117 1.00 0.00 C ATOM 1826 O GLN A 121 12.998 -1.210 -32.220 1.00 0.00 O ATOM 1827 CB GLN A 121 12.606 0.368 -35.110 1.00 0.00 C ATOM 1828 CG GLN A 121 11.898 1.626 -35.621 1.00 0.00 C ATOM 1829 CD GLN A 121 11.776 1.568 -37.141 1.00 0.00 C ATOM 1830 OE1 GLN A 121 10.933 0.878 -37.709 1.00 0.00 O ATOM 1831 NE2 GLN A 121 12.673 2.246 -37.833 1.00 0.00 N ATOM 0 H GLN A 121 14.657 1.702 -34.887 1.00 0.00 H new ATOM 0 HA GLN A 121 12.575 1.074 -33.084 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.351 0.051 -35.840 1.00 0.00 H new ATOM 0 HB3 GLN A 121 11.882 -0.442 -35.021 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.909 1.706 -35.170 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.456 2.514 -35.325 1.00 0.00 H new ATOM 0 HE21 GLN A 121 13.367 2.815 -37.349 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.672 2.201 -38.852 1.00 0.00 H new ATOM 1840 N ARG A 122 14.827 -1.332 -33.517 1.00 0.00 N ATOM 1841 CA ARG A 122 15.283 -2.589 -32.918 1.00 0.00 C ATOM 1842 C ARG A 122 15.585 -2.414 -31.433 1.00 0.00 C ATOM 1843 O ARG A 122 15.101 -3.208 -30.625 1.00 0.00 O ATOM 1844 CB ARG A 122 16.510 -3.152 -33.661 1.00 0.00 C ATOM 1845 CG ARG A 122 16.246 -3.589 -35.113 1.00 0.00 C ATOM 1846 CD ARG A 122 15.241 -4.744 -35.221 1.00 0.00 C ATOM 1847 NE ARG A 122 15.089 -5.202 -36.615 1.00 0.00 N ATOM 1848 CZ ARG A 122 15.823 -6.139 -37.232 1.00 0.00 C ATOM 1849 NH1 ARG A 122 16.816 -6.757 -36.596 1.00 0.00 N ATOM 1850 NH2 ARG A 122 15.557 -6.453 -38.496 1.00 0.00 N ATOM 0 H ARG A 122 15.438 -0.965 -34.247 1.00 0.00 H new ATOM 0 HA ARG A 122 14.472 -3.310 -33.016 1.00 0.00 H new ATOM 0 HB2 ARG A 122 17.294 -2.395 -33.662 1.00 0.00 H new ATOM 0 HB3 ARG A 122 16.893 -4.007 -33.104 1.00 0.00 H new ATOM 0 HG2 ARG A 122 15.873 -2.736 -35.681 1.00 0.00 H new ATOM 0 HG3 ARG A 122 17.187 -3.890 -35.572 1.00 0.00 H new ATOM 0 HD2 ARG A 122 15.572 -5.575 -34.598 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.273 -4.423 -34.835 1.00 0.00 H new ATOM 0 HE ARG A 122 14.351 -4.762 -37.165 1.00 0.00 H new ATOM 0 HH11 ARG A 122 17.027 -6.520 -35.627 1.00 0.00 H new ATOM 0 HH12 ARG A 122 17.366 -7.468 -37.078 1.00 0.00 H new ATOM 0 HH21 ARG A 122 14.799 -5.982 -38.990 1.00 0.00 H new ATOM 0 HH22 ARG A 122 16.111 -7.165 -38.972 1.00 0.00 H new ATOM 1864 N VAL A 123 16.344 -1.384 -31.052 1.00 0.00 N ATOM 1865 CA VAL A 123 16.702 -1.161 -29.658 1.00 0.00 C ATOM 1866 C VAL A 123 15.446 -0.804 -28.865 1.00 0.00 C ATOM 1867 O VAL A 123 15.271 -1.323 -27.766 1.00 0.00 O ATOM 1868 CB VAL A 123 17.818 -0.101 -29.566 1.00 0.00 C ATOM 1869 CG1 VAL A 123 18.118 0.328 -28.123 1.00 0.00 C ATOM 1870 CG2 VAL A 123 19.118 -0.663 -30.158 1.00 0.00 C ATOM 0 H VAL A 123 16.722 -0.690 -31.697 1.00 0.00 H new ATOM 0 HA VAL A 123 17.109 -2.068 -29.211 1.00 0.00 H new ATOM 0 HB VAL A 123 17.461 0.767 -30.121 1.00 0.00 H new ATOM 0 HG11 VAL A 123 18.912 1.075 -28.123 1.00 0.00 H new ATOM 0 HG12 VAL A 123 17.220 0.753 -27.676 1.00 0.00 H new ATOM 0 HG13 VAL A 123 18.436 -0.539 -27.544 1.00 0.00 H new ATOM 0 HG21 VAL A 123 19.904 0.090 -30.091 1.00 0.00 H new ATOM 0 HG22 VAL A 123 19.417 -1.551 -29.601 1.00 0.00 H new ATOM 0 HG23 VAL A 123 18.957 -0.927 -31.203 1.00 0.00 H new ATOM 1880 N ARG A 124 14.538 0.009 -29.418 1.00 0.00 N ATOM 1881 CA ARG A 124 13.270 0.343 -28.781 1.00 0.00 C ATOM 1882 C ARG A 124 12.524 -0.938 -28.449 1.00 0.00 C ATOM 1883 O ARG A 124 12.099 -1.117 -27.311 1.00 0.00 O ATOM 1884 CB ARG A 124 12.457 1.225 -29.745 1.00 0.00 C ATOM 1885 CG ARG A 124 11.036 1.557 -29.262 1.00 0.00 C ATOM 1886 CD ARG A 124 10.011 1.502 -30.398 1.00 0.00 C ATOM 1887 NE ARG A 124 9.742 0.132 -30.894 1.00 0.00 N ATOM 1888 CZ ARG A 124 9.284 -0.154 -32.122 1.00 0.00 C ATOM 1889 NH1 ARG A 124 9.140 0.829 -33.004 1.00 0.00 N ATOM 1890 NH2 ARG A 124 8.962 -1.398 -32.461 1.00 0.00 N ATOM 0 H ARG A 124 14.669 0.454 -30.327 1.00 0.00 H new ATOM 0 HA ARG A 124 13.434 0.891 -27.853 1.00 0.00 H new ATOM 0 HB2 ARG A 124 12.998 2.157 -29.908 1.00 0.00 H new ATOM 0 HB3 ARG A 124 12.391 0.721 -30.709 1.00 0.00 H new ATOM 0 HG2 ARG A 124 10.747 0.855 -28.480 1.00 0.00 H new ATOM 0 HG3 ARG A 124 11.029 2.552 -28.816 1.00 0.00 H new ATOM 0 HD2 ARG A 124 9.076 1.944 -30.053 1.00 0.00 H new ATOM 0 HD3 ARG A 124 10.367 2.115 -31.226 1.00 0.00 H new ATOM 0 HE ARG A 124 9.917 -0.647 -30.259 1.00 0.00 H new ATOM 0 HH11 ARG A 124 9.377 1.786 -32.744 1.00 0.00 H new ATOM 0 HH12 ARG A 124 8.793 0.626 -33.941 1.00 0.00 H new ATOM 0 HH21 ARG A 124 9.062 -2.153 -31.783 1.00 0.00 H new ATOM 0 HH22 ARG A 124 8.615 -1.597 -33.399 1.00 0.00 H new ATOM 1904 N ASP A 125 12.329 -1.797 -29.445 1.00 0.00 N ATOM 1905 CA ASP A 125 11.489 -2.975 -29.292 1.00 0.00 C ATOM 1906 C ASP A 125 12.096 -3.962 -28.296 1.00 0.00 C ATOM 1907 O ASP A 125 11.383 -4.513 -27.458 1.00 0.00 O ATOM 1908 CB ASP A 125 11.264 -3.643 -30.652 1.00 0.00 C ATOM 1909 CG ASP A 125 9.936 -4.399 -30.652 1.00 0.00 C ATOM 1910 OD1 ASP A 125 8.905 -3.719 -30.865 1.00 0.00 O ATOM 1911 OD2 ASP A 125 9.919 -5.636 -30.473 1.00 0.00 O ATOM 0 H ASP A 125 12.745 -1.696 -30.371 1.00 0.00 H new ATOM 0 HA ASP A 125 10.525 -2.658 -28.895 1.00 0.00 H new ATOM 0 HB2 ASP A 125 11.263 -2.890 -31.440 1.00 0.00 H new ATOM 0 HB3 ASP A 125 12.082 -4.330 -30.869 1.00 0.00 H new ATOM 1916 N GLU A 126 13.417 -4.158 -28.343 1.00 0.00 N ATOM 1917 CA GLU A 126 14.133 -5.024 -27.414 1.00 0.00 C ATOM 1918 C GLU A 126 14.029 -4.478 -25.985 1.00 0.00 C ATOM 1919 O GLU A 126 13.705 -5.232 -25.067 1.00 0.00 O ATOM 1920 CB GLU A 126 15.591 -5.154 -27.875 1.00 0.00 C ATOM 1921 CG GLU A 126 16.377 -6.220 -27.095 1.00 0.00 C ATOM 1922 CD GLU A 126 15.946 -7.658 -27.439 1.00 0.00 C ATOM 1923 OE1 GLU A 126 16.280 -8.154 -28.539 1.00 0.00 O ATOM 1924 OE2 GLU A 126 15.298 -8.315 -26.593 1.00 0.00 O ATOM 0 H GLU A 126 14.021 -3.714 -29.035 1.00 0.00 H new ATOM 0 HA GLU A 126 13.684 -6.017 -27.408 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.610 -5.402 -28.936 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.088 -4.190 -27.764 1.00 0.00 H new ATOM 0 HG2 GLU A 126 17.440 -6.105 -27.305 1.00 0.00 H new ATOM 0 HG3 GLU A 126 16.243 -6.052 -26.026 1.00 0.00 H new ATOM 1931 N ILE A 127 14.241 -3.169 -25.792 1.00 0.00 N ATOM 1932 CA ILE A 127 14.100 -2.521 -24.494 1.00 0.00 C ATOM 1933 C ILE A 127 12.678 -2.745 -23.986 1.00 0.00 C ATOM 1934 O ILE A 127 12.521 -3.205 -22.858 1.00 0.00 O ATOM 1935 CB ILE A 127 14.489 -1.026 -24.590 1.00 0.00 C ATOM 1936 CG1 ILE A 127 16.026 -0.895 -24.687 1.00 0.00 C ATOM 1937 CG2 ILE A 127 13.998 -0.206 -23.387 1.00 0.00 C ATOM 1938 CD1 ILE A 127 16.524 0.541 -24.898 1.00 0.00 C ATOM 0 H ILE A 127 14.516 -2.532 -26.540 1.00 0.00 H new ATOM 0 HA ILE A 127 14.784 -2.960 -23.768 1.00 0.00 H new ATOM 0 HB ILE A 127 14.006 -0.629 -25.483 1.00 0.00 H new ATOM 0 HG12 ILE A 127 16.471 -1.291 -23.774 1.00 0.00 H new ATOM 0 HG13 ILE A 127 16.381 -1.515 -25.510 1.00 0.00 H new ATOM 0 HG21 ILE A 127 14.299 0.834 -23.508 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.911 -0.264 -23.326 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.435 -0.606 -22.472 1.00 0.00 H new ATOM 0 HD11 ILE A 127 17.613 0.544 -24.955 1.00 0.00 H new ATOM 0 HD12 ILE A 127 16.111 0.937 -25.826 1.00 0.00 H new ATOM 0 HD13 ILE A 127 16.203 1.164 -24.063 1.00 0.00 H new ATOM 1950 N GLY A 128 11.657 -2.471 -24.803 1.00 0.00 N ATOM 1951 CA GLY A 128 10.265 -2.718 -24.456 1.00 0.00 C ATOM 1952 C GLY A 128 10.046 -4.146 -23.974 1.00 0.00 C ATOM 1953 O GLY A 128 9.465 -4.345 -22.907 1.00 0.00 O ATOM 0 H GLY A 128 11.781 -2.068 -25.732 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.955 -2.020 -23.678 1.00 0.00 H new ATOM 0 HA3 GLY A 128 9.635 -2.527 -25.325 1.00 0.00 H new ATOM 1957 N ASN A 129 10.568 -5.137 -24.705 1.00 0.00 N ATOM 1958 CA ASN A 129 10.420 -6.540 -24.332 1.00 0.00 C ATOM 1959 C ASN A 129 11.019 -6.805 -22.961 1.00 0.00 C ATOM 1960 O ASN A 129 10.373 -7.419 -22.116 1.00 0.00 O ATOM 1961 CB ASN A 129 11.053 -7.490 -25.365 1.00 0.00 C ATOM 1962 CG ASN A 129 10.105 -7.815 -26.512 1.00 0.00 C ATOM 1963 OD1 ASN A 129 9.365 -8.793 -26.464 1.00 0.00 O ATOM 1964 ND2 ASN A 129 10.105 -7.013 -27.560 1.00 0.00 N ATOM 0 H ASN A 129 11.099 -4.987 -25.563 1.00 0.00 H new ATOM 0 HA ASN A 129 9.349 -6.741 -24.303 1.00 0.00 H new ATOM 0 HB2 ASN A 129 11.960 -7.036 -25.764 1.00 0.00 H new ATOM 0 HB3 ASN A 129 11.351 -8.414 -24.870 1.00 0.00 H new ATOM 0 HD21 ASN A 129 9.484 -7.202 -28.347 1.00 0.00 H new ATOM 0 HD22 ASN A 129 10.726 -6.205 -27.583 1.00 0.00 H new ATOM 1971 N ARG A 130 12.243 -6.352 -22.705 1.00 0.00 N ATOM 1972 CA ARG A 130 12.886 -6.670 -21.431 1.00 0.00 C ATOM 1973 C ARG A 130 12.337 -5.822 -20.300 1.00 0.00 C ATOM 1974 O ARG A 130 12.327 -6.305 -19.173 1.00 0.00 O ATOM 1975 CB ARG A 130 14.417 -6.623 -21.529 1.00 0.00 C ATOM 1976 CG ARG A 130 14.970 -7.496 -22.669 1.00 0.00 C ATOM 1977 CD ARG A 130 14.394 -8.922 -22.760 1.00 0.00 C ATOM 1978 NE ARG A 130 14.600 -9.444 -24.117 1.00 0.00 N ATOM 1979 CZ ARG A 130 14.283 -10.653 -24.581 1.00 0.00 C ATOM 1980 NH1 ARG A 130 13.756 -11.585 -23.795 1.00 0.00 N ATOM 1981 NH2 ARG A 130 14.509 -10.885 -25.866 1.00 0.00 N ATOM 0 H ARG A 130 12.798 -5.780 -23.341 1.00 0.00 H new ATOM 0 HA ARG A 130 12.636 -7.703 -21.189 1.00 0.00 H new ATOM 0 HB2 ARG A 130 14.735 -5.592 -21.681 1.00 0.00 H new ATOM 0 HB3 ARG A 130 14.847 -6.953 -20.583 1.00 0.00 H new ATOM 0 HG2 ARG A 130 14.782 -6.987 -23.615 1.00 0.00 H new ATOM 0 HG3 ARG A 130 16.052 -7.568 -22.555 1.00 0.00 H new ATOM 0 HD2 ARG A 130 14.881 -9.570 -22.031 1.00 0.00 H new ATOM 0 HD3 ARG A 130 13.331 -8.913 -22.519 1.00 0.00 H new ATOM 0 HE ARG A 130 15.037 -8.807 -24.783 1.00 0.00 H new ATOM 0 HH11 ARG A 130 13.584 -11.384 -22.810 1.00 0.00 H new ATOM 0 HH12 ARG A 130 13.523 -12.502 -24.177 1.00 0.00 H new ATOM 0 HH21 ARG A 130 14.909 -10.154 -26.454 1.00 0.00 H new ATOM 0 HH22 ARG A 130 14.283 -11.795 -26.267 1.00 0.00 H new ATOM 1995 N LEU A 131 11.805 -4.625 -20.559 1.00 0.00 N ATOM 1996 CA LEU A 131 11.098 -3.882 -19.530 1.00 0.00 C ATOM 1997 C LEU A 131 9.801 -4.608 -19.170 1.00 0.00 C ATOM 1998 O LEU A 131 9.457 -4.685 -17.991 1.00 0.00 O ATOM 1999 CB LEU A 131 10.830 -2.429 -19.952 1.00 0.00 C ATOM 2000 CG LEU A 131 11.225 -1.408 -18.874 1.00 0.00 C ATOM 2001 CD1 LEU A 131 10.631 -1.712 -17.491 1.00 0.00 C ATOM 2002 CD2 LEU A 131 12.748 -1.267 -18.782 1.00 0.00 C ATOM 0 H LEU A 131 11.853 -4.159 -21.465 1.00 0.00 H new ATOM 0 HA LEU A 131 11.732 -3.834 -18.645 1.00 0.00 H new ATOM 0 HB2 LEU A 131 11.382 -2.215 -20.867 1.00 0.00 H new ATOM 0 HB3 LEU A 131 9.771 -2.313 -20.184 1.00 0.00 H new ATOM 0 HG LEU A 131 10.794 -0.459 -19.193 1.00 0.00 H new ATOM 0 HD11 LEU A 131 10.953 -0.950 -16.781 1.00 0.00 H new ATOM 0 HD12 LEU A 131 9.543 -1.713 -17.555 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.975 -2.690 -17.154 1.00 0.00 H new ATOM 0 HD21 LEU A 131 13.000 -0.538 -18.012 1.00 0.00 H new ATOM 0 HD22 LEU A 131 13.188 -2.231 -18.527 1.00 0.00 H new ATOM 0 HD23 LEU A 131 13.141 -0.931 -19.742 1.00 0.00 H new ATOM 2014 N LYS A 132 9.105 -5.187 -20.158 1.00 0.00 N ATOM 2015 CA LYS A 132 7.941 -6.019 -19.894 1.00 0.00 C ATOM 2016 C LYS A 132 8.337 -7.178 -19.002 1.00 0.00 C ATOM 2017 O LYS A 132 7.701 -7.389 -17.973 1.00 0.00 O ATOM 2018 CB LYS A 132 7.297 -6.495 -21.204 1.00 0.00 C ATOM 2019 CG LYS A 132 6.023 -7.309 -20.953 1.00 0.00 C ATOM 2020 CD LYS A 132 5.357 -7.665 -22.289 1.00 0.00 C ATOM 2021 CE LYS A 132 4.079 -8.480 -22.041 1.00 0.00 C ATOM 2022 NZ LYS A 132 3.401 -8.861 -23.305 1.00 0.00 N ATOM 0 H LYS A 132 9.335 -5.089 -21.147 1.00 0.00 H new ATOM 0 HA LYS A 132 7.188 -5.429 -19.371 1.00 0.00 H new ATOM 0 HB2 LYS A 132 7.059 -5.632 -21.826 1.00 0.00 H new ATOM 0 HB3 LYS A 132 8.012 -7.102 -21.760 1.00 0.00 H new ATOM 0 HG2 LYS A 132 6.265 -8.219 -20.404 1.00 0.00 H new ATOM 0 HG3 LYS A 132 5.332 -6.737 -20.334 1.00 0.00 H new ATOM 0 HD2 LYS A 132 5.116 -6.755 -22.838 1.00 0.00 H new ATOM 0 HD3 LYS A 132 6.048 -8.237 -22.908 1.00 0.00 H new ATOM 0 HE2 LYS A 132 4.328 -9.380 -21.479 1.00 0.00 H new ATOM 0 HE3 LYS A 132 3.394 -7.899 -21.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 2.544 -9.409 -23.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 3.139 -8.003 -23.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 4.044 -9.438 -23.883 1.00 0.00 H new ATOM 2036 N GLU A 133 9.398 -7.901 -19.359 1.00 0.00 N ATOM 2037 CA GLU A 133 9.834 -9.037 -18.559 1.00 0.00 C ATOM 2038 C GLU A 133 10.225 -8.583 -17.153 1.00 0.00 C ATOM 2039 O GLU A 133 9.823 -9.178 -16.165 1.00 0.00 O ATOM 2040 CB GLU A 133 10.966 -9.834 -19.208 1.00 0.00 C ATOM 2041 CG GLU A 133 10.517 -10.519 -20.502 1.00 0.00 C ATOM 2042 CD GLU A 133 11.548 -11.549 -20.994 1.00 0.00 C ATOM 2043 OE1 GLU A 133 12.703 -11.168 -21.285 1.00 0.00 O ATOM 2044 OE2 GLU A 133 11.199 -12.744 -21.128 1.00 0.00 O ATOM 0 H GLU A 133 9.964 -7.721 -20.188 1.00 0.00 H new ATOM 0 HA GLU A 133 8.983 -9.716 -18.493 1.00 0.00 H new ATOM 0 HB2 GLU A 133 11.802 -9.168 -19.422 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.328 -10.586 -18.507 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.560 -11.014 -20.337 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.358 -9.767 -21.275 1.00 0.00 H new ATOM 2051 N PHE A 134 10.931 -7.470 -17.021 1.00 0.00 N ATOM 2052 CA PHE A 134 11.339 -6.951 -15.724 1.00 0.00 C ATOM 2053 C PHE A 134 10.137 -6.670 -14.819 1.00 0.00 C ATOM 2054 O PHE A 134 10.222 -6.858 -13.605 1.00 0.00 O ATOM 2055 CB PHE A 134 12.188 -5.701 -15.936 1.00 0.00 C ATOM 2056 CG PHE A 134 12.516 -4.940 -14.669 1.00 0.00 C ATOM 2057 CD1 PHE A 134 13.464 -5.446 -13.761 1.00 0.00 C ATOM 2058 CD2 PHE A 134 11.841 -3.740 -14.377 1.00 0.00 C ATOM 2059 CE1 PHE A 134 13.729 -4.755 -12.566 1.00 0.00 C ATOM 2060 CE2 PHE A 134 12.119 -3.036 -13.195 1.00 0.00 C ATOM 2061 CZ PHE A 134 13.059 -3.549 -12.284 1.00 0.00 C ATOM 0 H PHE A 134 11.237 -6.901 -17.810 1.00 0.00 H new ATOM 0 HA PHE A 134 11.934 -7.706 -15.211 1.00 0.00 H new ATOM 0 HB2 PHE A 134 13.120 -5.989 -16.423 1.00 0.00 H new ATOM 0 HB3 PHE A 134 11.664 -5.033 -16.620 1.00 0.00 H new ATOM 0 HD1 PHE A 134 13.988 -6.364 -13.982 1.00 0.00 H new ATOM 0 HD2 PHE A 134 11.104 -3.358 -15.068 1.00 0.00 H new ATOM 0 HE1 PHE A 134 14.448 -5.150 -11.863 1.00 0.00 H new ATOM 0 HE2 PHE A 134 11.613 -2.105 -12.986 1.00 0.00 H new ATOM 0 HZ PHE A 134 13.267 -3.018 -11.367 1.00 0.00 H new ATOM 2071 N ALA A 135 9.010 -6.259 -15.403 1.00 0.00 N ATOM 2072 CA ALA A 135 7.801 -5.976 -14.658 1.00 0.00 C ATOM 2073 C ALA A 135 6.987 -7.246 -14.382 1.00 0.00 C ATOM 2074 O ALA A 135 6.354 -7.359 -13.332 1.00 0.00 O ATOM 2075 CB ALA A 135 6.958 -4.964 -15.443 1.00 0.00 C ATOM 0 H ALA A 135 8.919 -6.115 -16.409 1.00 0.00 H new ATOM 0 HA ALA A 135 8.082 -5.560 -13.690 1.00 0.00 H new ATOM 0 HB1 ALA A 135 6.045 -4.744 -14.890 1.00 0.00 H new ATOM 0 HB2 ALA A 135 7.528 -4.045 -15.582 1.00 0.00 H new ATOM 0 HB3 ALA A 135 6.701 -5.382 -16.416 1.00 0.00 H new ATOM 2081 N GLU A 136 6.983 -8.189 -15.326 1.00 0.00 N ATOM 2082 CA GLU A 136 6.109 -9.353 -15.333 1.00 0.00 C ATOM 2083 C GLU A 136 6.758 -10.562 -14.657 1.00 0.00 C ATOM 2084 O GLU A 136 6.127 -11.241 -13.844 1.00 0.00 O ATOM 2085 CB GLU A 136 5.743 -9.669 -16.795 1.00 0.00 C ATOM 2086 CG GLU A 136 4.929 -10.961 -16.939 1.00 0.00 C ATOM 2087 CD GLU A 136 4.397 -11.139 -18.372 1.00 0.00 C ATOM 2088 OE1 GLU A 136 5.099 -11.736 -19.220 1.00 0.00 O ATOM 2089 OE2 GLU A 136 3.258 -10.706 -18.658 1.00 0.00 O ATOM 0 H GLU A 136 7.610 -8.158 -16.130 1.00 0.00 H new ATOM 0 HA GLU A 136 5.210 -9.129 -14.759 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.173 -8.838 -17.210 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.657 -9.753 -17.383 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.551 -11.815 -16.673 1.00 0.00 H new ATOM 0 HG3 GLU A 136 4.093 -10.945 -16.239 1.00 0.00 H new ATOM 2096 N THR A 137 8.019 -10.818 -14.986 1.00 0.00 N ATOM 2097 CA THR A 137 8.764 -12.017 -14.637 1.00 0.00 C ATOM 2098 C THR A 137 9.917 -11.684 -13.674 1.00 0.00 C ATOM 2099 O THR A 137 10.396 -12.566 -12.955 1.00 0.00 O ATOM 2100 CB THR A 137 9.263 -12.707 -15.924 1.00 0.00 C ATOM 2101 OG1 THR A 137 10.246 -11.930 -16.561 1.00 0.00 O ATOM 2102 CG2 THR A 137 8.169 -12.908 -16.975 1.00 0.00 C ATOM 0 H THR A 137 8.576 -10.160 -15.531 1.00 0.00 H new ATOM 0 HA THR A 137 8.108 -12.712 -14.113 1.00 0.00 H new ATOM 0 HB THR A 137 9.639 -13.672 -15.584 1.00 0.00 H new ATOM 0 HG1 THR A 137 10.103 -10.984 -16.350 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.592 -13.398 -17.852 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.375 -13.529 -16.560 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.759 -11.940 -17.263 1.00 0.00 H new ATOM 2110 N GLY A 138 10.345 -10.413 -13.618 1.00 0.00 N ATOM 2111 CA GLY A 138 11.435 -9.944 -12.773 1.00 0.00 C ATOM 2112 C GLY A 138 12.815 -10.168 -13.399 1.00 0.00 C ATOM 2113 O GLY A 138 13.817 -10.050 -12.690 1.00 0.00 O ATOM 0 H GLY A 138 9.926 -9.670 -14.177 1.00 0.00 H new ATOM 0 HA2 GLY A 138 11.301 -8.881 -12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 138 11.390 -10.457 -11.813 1.00 0.00 H new ATOM 2117 N LYS A 139 12.891 -10.535 -14.685 1.00 0.00 N ATOM 2118 CA LYS A 139 14.155 -10.824 -15.349 1.00 0.00 C ATOM 2119 C LYS A 139 14.977 -9.550 -15.503 1.00 0.00 C ATOM 2120 O LYS A 139 14.413 -8.509 -15.892 1.00 0.00 O ATOM 2121 CB LYS A 139 13.928 -11.530 -16.693 1.00 0.00 C ATOM 2122 CG LYS A 139 13.367 -12.953 -16.531 1.00 0.00 C ATOM 2123 CD LYS A 139 14.282 -13.915 -15.763 1.00 0.00 C ATOM 2124 CE LYS A 139 13.693 -15.330 -15.815 1.00 0.00 C ATOM 2125 NZ LYS A 139 14.525 -16.315 -15.081 1.00 0.00 N ATOM 2126 OXT LYS A 139 16.198 -9.607 -15.245 1.00 0.00 O ATOM 0 H LYS A 139 12.075 -10.638 -15.288 1.00 0.00 H new ATOM 0 HA LYS A 139 14.725 -11.512 -14.725 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.239 -10.939 -17.297 1.00 0.00 H new ATOM 0 HB3 LYS A 139 14.871 -11.576 -17.238 1.00 0.00 H new ATOM 0 HG2 LYS A 139 12.408 -12.895 -16.016 1.00 0.00 H new ATOM 0 HG3 LYS A 139 13.173 -13.368 -17.520 1.00 0.00 H new ATOM 0 HD2 LYS A 139 15.281 -13.909 -16.198 1.00 0.00 H new ATOM 0 HD3 LYS A 139 14.383 -13.589 -14.728 1.00 0.00 H new ATOM 0 HE2 LYS A 139 12.689 -15.319 -15.391 1.00 0.00 H new ATOM 0 HE3 LYS A 139 13.597 -15.643 -16.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 14.086 -17.256 -15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 15.476 -16.347 -15.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 14.597 -16.033 -14.082 1.00 0.00 H new