USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 706 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 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 SER OG : rot 150:sc= 0.174 USER MOD Set 2.2: A 71 SER OG : rot 127:sc= 0.197 USER MOD Set 3.1: A 17 SER OG : rot 24:sc= -1.86! USER MOD Set 3.2: A 56 SER OG : rot -125:sc= -0.249 USER MOD Set 4.1: A 51 GLN :FLIP amide:sc= 0.147 F(o=-3,f=-2.4) USER MOD Set 4.2: A 53 SER OG : rot -147:sc= -2.59! USER MOD Set 5.1: A 43 ASN :FLIP amide:sc= -5.54! C(o=-6.3!,f=-4.6!) USER MOD Set 5.2: A 58 THR OG1 : rot -163:sc= 0.942 USER MOD Set 6.1: A 7 THR OG1 : rot -130:sc= -0.0383 USER MOD Set 6.2: A 93 ASN : amide:sc= -0.992! C(o=-1!,f=-7.3!) USER MOD Single : A 10 ASN : amide:sc= -8.37! C(o=-8.4!,f=-19!) USER MOD Single : A 11 THR OG1 : rot 39:sc= -0.905 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 60:sc= -0.576 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -5.76 K(o=-5.8,f=-13!) USER MOD Single : A 40 HIS : no HD1:sc= -6.28 X(o=-6.3,f=-6.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.696! X(o=-0.7!,f=-0.81) USER MOD Single : A 57 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.1!) USER MOD Single : A 60 TYR OH : rot -37:sc= 0.495 USER MOD Single : A 61 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -140:sc= -0.313 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 100:sc= 0.257 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 82 THR OG1 : rot 44:sc= 0.843 USER MOD Single : A 83 SER OG : rot -42:sc= -0.754 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.77! C(o=-6.5!,f=-4.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 175:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.077 -5.289 -5.277 1.00 0.00 N ATOM 59 CA PHE A 4 11.953 -6.287 -5.897 1.00 0.00 C ATOM 60 C PHE A 4 13.400 -6.151 -5.418 1.00 0.00 C ATOM 61 O PHE A 4 14.077 -7.150 -5.184 1.00 0.00 O ATOM 62 CB PHE A 4 11.881 -6.183 -7.428 1.00 0.00 C ATOM 63 CG PHE A 4 12.711 -5.076 -8.018 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.231 -3.778 -8.060 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.970 -5.337 -8.533 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.992 -2.761 -8.603 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.736 -4.325 -9.077 1.00 0.00 C ATOM 68 CZ PHE A 4 14.246 -3.035 -9.113 1.00 0.00 C ATOM 0 HA PHE A 4 11.599 -7.271 -5.591 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.203 -7.131 -7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.841 -6.036 -7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.251 -3.558 -7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.358 -6.345 -8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.607 -1.752 -8.629 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.717 -4.542 -9.474 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.842 -2.242 -9.539 1.00 0.00 H new ATOM 78 N ILE A 5 13.875 -4.916 -5.282 1.00 0.00 N ATOM 79 CA ILE A 5 15.247 -4.676 -4.843 1.00 0.00 C ATOM 80 C ILE A 5 15.494 -5.229 -3.442 1.00 0.00 C ATOM 81 O ILE A 5 16.637 -5.476 -3.057 1.00 0.00 O ATOM 82 CB ILE A 5 15.588 -3.171 -4.862 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.094 -2.963 -4.695 1.00 0.00 C ATOM 84 CG2 ILE A 5 14.820 -2.428 -3.775 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.889 -3.301 -5.938 1.00 0.00 C ATOM 0 H ILE A 5 13.335 -4.071 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 5 15.895 -5.198 -5.547 1.00 0.00 H new ATOM 0 HB ILE A 5 15.287 -2.764 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.282 -1.924 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.449 -3.578 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.076 -1.369 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.749 -2.547 -3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.085 -2.836 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.949 -3.131 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.730 -4.348 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.561 -2.668 -6.763 1.00 0.00 H new ATOM 97 N GLU A 6 14.422 -5.431 -2.687 1.00 0.00 N ATOM 98 CA GLU A 6 14.542 -5.966 -1.335 1.00 0.00 C ATOM 99 C GLU A 6 14.823 -7.469 -1.358 1.00 0.00 C ATOM 100 O GLU A 6 15.371 -8.020 -0.403 1.00 0.00 O ATOM 101 CB GLU A 6 13.268 -5.687 -0.534 1.00 0.00 C ATOM 102 CG GLU A 6 13.008 -4.208 -0.299 1.00 0.00 C ATOM 103 CD GLU A 6 14.128 -3.532 0.468 1.00 0.00 C ATOM 104 OE1 GLU A 6 14.192 -3.707 1.703 1.00 0.00 O ATOM 105 OE2 GLU A 6 14.940 -2.825 -0.166 1.00 0.00 O ATOM 0 H GLU A 6 13.466 -5.235 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 6 15.383 -5.467 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.416 -6.118 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.336 -6.193 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.878 -3.709 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.074 -4.090 0.250 1.00 0.00 H new ATOM 112 N THR A 7 14.439 -8.129 -2.449 1.00 0.00 N ATOM 113 CA THR A 7 14.650 -9.568 -2.587 1.00 0.00 C ATOM 114 C THR A 7 15.563 -9.902 -3.769 1.00 0.00 C ATOM 115 O THR A 7 15.716 -11.070 -4.130 1.00 0.00 O ATOM 116 CB THR A 7 13.308 -10.280 -2.756 1.00 0.00 C ATOM 117 OG1 THR A 7 12.662 -9.854 -3.942 1.00 0.00 O ATOM 118 CG2 THR A 7 12.355 -10.041 -1.604 1.00 0.00 C ATOM 0 H THR A 7 13.981 -7.691 -3.248 1.00 0.00 H new ATOM 0 HA THR A 7 15.141 -9.915 -1.678 1.00 0.00 H new ATOM 0 HB THR A 7 13.547 -11.343 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.737 -9.602 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.422 -10.574 -1.787 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.804 -10.403 -0.679 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.152 -8.974 -1.516 1.00 0.00 H new ATOM 126 N CYS A 8 16.162 -8.883 -4.378 1.00 0.00 N ATOM 127 CA CYS A 8 17.043 -9.099 -5.517 1.00 0.00 C ATOM 128 C CYS A 8 18.413 -8.472 -5.282 1.00 0.00 C ATOM 129 O CYS A 8 18.554 -7.525 -4.509 1.00 0.00 O ATOM 130 CB CYS A 8 16.417 -8.531 -6.794 1.00 0.00 C ATOM 131 SG CYS A 8 14.726 -9.128 -7.125 1.00 0.00 S ATOM 0 H CYS A 8 16.054 -7.907 -4.103 1.00 0.00 H new ATOM 0 HA CYS A 8 17.176 -10.174 -5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.399 -7.443 -6.724 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.053 -8.786 -7.642 1.00 0.00 H new ATOM 136 N ARG A 9 19.418 -9.015 -5.959 1.00 0.00 N ATOM 137 CA ARG A 9 20.784 -8.528 -5.835 1.00 0.00 C ATOM 138 C ARG A 9 21.408 -8.309 -7.209 1.00 0.00 C ATOM 139 O ARG A 9 20.810 -8.651 -8.229 1.00 0.00 O ATOM 140 CB ARG A 9 21.629 -9.518 -5.033 1.00 0.00 C ATOM 141 CG ARG A 9 21.787 -10.869 -5.714 1.00 0.00 C ATOM 142 CD ARG A 9 21.059 -11.970 -4.959 1.00 0.00 C ATOM 143 NE ARG A 9 21.988 -12.878 -4.292 1.00 0.00 N ATOM 144 CZ ARG A 9 22.703 -13.806 -4.925 1.00 0.00 C ATOM 145 NH1 ARG A 9 22.588 -13.962 -6.238 1.00 0.00 N ATOM 146 NH2 ARG A 9 23.534 -14.581 -4.242 1.00 0.00 N ATOM 0 H ARG A 9 19.310 -9.798 -6.603 1.00 0.00 H new ATOM 0 HA ARG A 9 20.757 -7.573 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.616 -9.088 -4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.172 -9.664 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 9 21.402 -10.810 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.846 -11.117 -5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.393 -11.524 -4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 9 20.435 -12.534 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 9 22.096 -12.797 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.949 -13.369 -6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.138 -14.675 -6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.625 -14.466 -3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.082 -15.292 -4.726 1.00 0.00 H new ATOM 160 N ASN A 10 22.608 -7.731 -7.228 1.00 0.00 N ATOM 161 CA ASN A 10 23.328 -7.459 -8.472 1.00 0.00 C ATOM 162 C ASN A 10 22.450 -6.756 -9.503 1.00 0.00 C ATOM 163 O ASN A 10 22.272 -7.241 -10.621 1.00 0.00 O ATOM 164 CB ASN A 10 23.920 -8.751 -9.055 1.00 0.00 C ATOM 165 CG ASN A 10 22.871 -9.720 -9.567 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.267 -10.462 -8.794 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.662 -9.729 -10.878 1.00 0.00 N ATOM 0 H ASN A 10 23.106 -7.439 -6.387 1.00 0.00 H new ATOM 0 HA ASN A 10 24.145 -6.781 -8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.596 -8.496 -9.871 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.517 -9.246 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.978 -10.369 -11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.186 -9.096 -11.482 1.00 0.00 H new ATOM 174 N THR A 11 21.923 -5.596 -9.127 1.00 0.00 N ATOM 175 CA THR A 11 21.095 -4.810 -10.029 1.00 0.00 C ATOM 176 C THR A 11 21.980 -4.038 -11.001 1.00 0.00 C ATOM 177 O THR A 11 22.948 -3.394 -10.596 1.00 0.00 O ATOM 178 CB THR A 11 20.201 -3.849 -9.244 1.00 0.00 C ATOM 179 OG1 THR A 11 20.933 -3.210 -8.213 1.00 0.00 O ATOM 180 CG2 THR A 11 19.008 -4.528 -8.605 1.00 0.00 C ATOM 0 H THR A 11 22.055 -5.181 -8.205 1.00 0.00 H new ATOM 0 HA THR A 11 20.452 -5.486 -10.593 1.00 0.00 H new ATOM 0 HB THR A 11 19.840 -3.128 -9.977 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.834 -2.999 -8.534 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.416 -3.790 -8.064 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.394 -4.989 -9.379 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.354 -5.295 -7.912 1.00 0.00 H new ATOM 188 N GLN A 12 21.645 -4.108 -12.281 1.00 0.00 N ATOM 189 CA GLN A 12 22.420 -3.416 -13.308 1.00 0.00 C ATOM 190 C GLN A 12 21.592 -3.172 -14.559 1.00 0.00 C ATOM 191 O GLN A 12 20.540 -3.781 -14.751 1.00 0.00 O ATOM 192 CB GLN A 12 23.699 -4.185 -13.651 1.00 0.00 C ATOM 193 CG GLN A 12 23.486 -5.669 -13.898 1.00 0.00 C ATOM 194 CD GLN A 12 24.793 -6.416 -14.088 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.718 -6.286 -13.285 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.877 -7.201 -15.155 1.00 0.00 N ATOM 0 H GLN A 12 20.846 -4.634 -12.635 1.00 0.00 H new ATOM 0 HA GLN A 12 22.705 -2.447 -12.899 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.149 -3.741 -14.539 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.413 -4.062 -12.836 1.00 0.00 H new ATOM 0 HG2 GLN A 12 22.943 -6.100 -13.057 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.863 -5.802 -14.782 1.00 0.00 H new ATOM 0 HE21 GLN A 12 24.086 -7.279 -15.794 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.733 -7.726 -15.336 1.00 0.00 H new ATOM 205 N LEU A 13 22.077 -2.273 -15.406 1.00 0.00 N ATOM 206 CA LEU A 13 21.383 -1.937 -16.638 1.00 0.00 C ATOM 207 C LEU A 13 21.961 -2.708 -17.811 1.00 0.00 C ATOM 208 O LEU A 13 23.178 -2.828 -17.956 1.00 0.00 O ATOM 209 CB LEU A 13 21.497 -0.443 -16.929 1.00 0.00 C ATOM 210 CG LEU A 13 20.775 0.014 -18.198 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.624 0.936 -17.846 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.737 0.700 -19.161 1.00 0.00 C ATOM 0 H LEU A 13 22.949 -1.764 -15.260 1.00 0.00 H new ATOM 0 HA LEU A 13 20.335 -2.206 -16.508 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.098 0.111 -16.080 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.552 -0.182 -17.012 1.00 0.00 H new ATOM 0 HG LEU A 13 20.375 -0.869 -18.698 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.120 1.253 -18.759 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.917 0.408 -17.206 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.006 1.811 -17.320 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.196 1.014 -20.054 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.176 1.572 -18.677 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.528 0.005 -19.442 1.00 0.00 H new ATOM 224 N ALA A 14 21.075 -3.221 -18.650 1.00 0.00 N ATOM 225 CA ALA A 14 21.471 -3.975 -19.825 1.00 0.00 C ATOM 226 C ALA A 14 20.945 -3.281 -21.073 1.00 0.00 C ATOM 227 O ALA A 14 19.858 -2.704 -21.052 1.00 0.00 O ATOM 228 CB ALA A 14 20.945 -5.400 -19.734 1.00 0.00 C ATOM 0 H ALA A 14 20.066 -3.126 -18.535 1.00 0.00 H new ATOM 0 HA ALA A 14 22.559 -4.019 -19.881 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.248 -5.957 -20.621 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.353 -5.882 -18.846 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.857 -5.383 -19.670 1.00 0.00 H new ATOM 234 N GLY A 15 21.715 -3.313 -22.152 1.00 0.00 N ATOM 235 CA GLY A 15 21.283 -2.653 -23.369 1.00 0.00 C ATOM 236 C GLY A 15 21.059 -1.170 -23.148 1.00 0.00 C ATOM 237 O GLY A 15 21.724 -0.562 -22.310 1.00 0.00 O ATOM 0 H GLY A 15 22.621 -3.778 -22.208 1.00 0.00 H new ATOM 0 HA2 GLY A 15 22.032 -2.797 -24.148 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.361 -3.112 -23.725 1.00 0.00 H new ATOM 241 N SER A 16 20.152 -0.573 -23.914 1.00 0.00 N ATOM 242 CA SER A 16 19.898 0.857 -23.792 1.00 0.00 C ATOM 243 C SER A 16 18.873 1.184 -22.711 1.00 0.00 C ATOM 244 O SER A 16 19.006 2.196 -22.024 1.00 0.00 O ATOM 245 CB SER A 16 19.393 1.411 -25.123 1.00 0.00 C ATOM 246 OG SER A 16 20.083 0.831 -26.216 1.00 0.00 O ATOM 0 H SER A 16 19.587 -1.050 -24.617 1.00 0.00 H new ATOM 0 HA SER A 16 20.844 1.319 -23.511 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.325 1.216 -25.219 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.522 2.493 -25.142 1.00 0.00 H new ATOM 0 HG SER A 16 19.738 1.203 -27.055 1.00 0.00 H new ATOM 252 N SER A 17 17.844 0.353 -22.555 1.00 0.00 N ATOM 253 CA SER A 17 16.827 0.628 -21.555 1.00 0.00 C ATOM 254 C SER A 17 16.317 -0.635 -20.854 1.00 0.00 C ATOM 255 O SER A 17 15.139 -0.723 -20.511 1.00 0.00 O ATOM 256 CB SER A 17 15.672 1.387 -22.206 1.00 0.00 C ATOM 257 OG SER A 17 15.396 0.884 -23.500 1.00 0.00 O ATOM 0 H SER A 17 17.698 -0.498 -23.098 1.00 0.00 H new ATOM 0 HA SER A 17 17.287 1.239 -20.778 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.782 1.304 -21.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.919 2.447 -22.270 1.00 0.00 H new ATOM 0 HG SER A 17 15.715 -0.040 -23.566 1.00 0.00 H new ATOM 263 N GLU A 18 17.206 -1.602 -20.625 1.00 0.00 N ATOM 264 CA GLU A 18 16.831 -2.839 -19.933 1.00 0.00 C ATOM 265 C GLU A 18 17.531 -2.969 -18.589 1.00 0.00 C ATOM 266 O GLU A 18 18.645 -2.482 -18.405 1.00 0.00 O ATOM 267 CB GLU A 18 17.129 -4.079 -20.779 1.00 0.00 C ATOM 268 CG GLU A 18 16.056 -4.392 -21.800 1.00 0.00 C ATOM 269 CD GLU A 18 16.385 -3.872 -23.184 1.00 0.00 C ATOM 270 OE1 GLU A 18 16.897 -2.738 -23.285 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.129 -4.598 -24.167 1.00 0.00 O ATOM 0 H GLU A 18 18.185 -1.555 -20.906 1.00 0.00 H new ATOM 0 HA GLU A 18 15.756 -2.778 -19.766 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.078 -3.936 -21.295 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.251 -4.938 -20.119 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.912 -5.471 -21.848 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.112 -3.959 -21.470 1.00 0.00 H new ATOM 278 N LEU A 19 16.865 -3.639 -17.655 1.00 0.00 N ATOM 279 CA LEU A 19 17.411 -3.857 -16.324 1.00 0.00 C ATOM 280 C LEU A 19 17.449 -5.351 -16.027 1.00 0.00 C ATOM 281 O LEU A 19 16.425 -6.030 -16.097 1.00 0.00 O ATOM 282 CB LEU A 19 16.561 -3.128 -15.277 1.00 0.00 C ATOM 283 CG LEU A 19 16.768 -3.575 -13.827 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.212 -3.358 -13.397 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.816 -2.830 -12.904 1.00 0.00 C ATOM 0 H LEU A 19 15.939 -4.043 -17.799 1.00 0.00 H new ATOM 0 HA LEU A 19 18.425 -3.459 -16.283 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.773 -2.061 -15.343 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.510 -3.261 -15.532 1.00 0.00 H new ATOM 0 HG LEU A 19 16.552 -4.641 -13.761 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.337 -3.682 -12.364 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.874 -3.936 -14.041 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.461 -2.300 -13.478 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.974 -3.158 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.003 -1.759 -12.976 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.787 -3.039 -13.197 1.00 0.00 H new ATOM 297 N ALA A 20 18.622 -5.869 -15.688 1.00 0.00 N ATOM 298 CA ALA A 20 18.757 -7.281 -15.380 1.00 0.00 C ATOM 299 C ALA A 20 19.252 -7.463 -13.947 1.00 0.00 C ATOM 300 O ALA A 20 20.040 -6.661 -13.444 1.00 0.00 O ATOM 301 CB ALA A 20 19.687 -7.944 -16.384 1.00 0.00 C ATOM 0 H ALA A 20 19.488 -5.334 -15.620 1.00 0.00 H new ATOM 0 HA ALA A 20 17.783 -7.764 -15.456 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.783 -9.003 -16.146 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.277 -7.833 -17.388 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.668 -7.471 -16.338 1.00 0.00 H new ATOM 307 N ALA A 21 18.766 -8.507 -13.285 1.00 0.00 N ATOM 308 CA ALA A 21 19.135 -8.776 -11.899 1.00 0.00 C ATOM 309 C ALA A 21 18.835 -10.223 -11.514 1.00 0.00 C ATOM 310 O ALA A 21 18.178 -10.947 -12.261 1.00 0.00 O ATOM 311 CB ALA A 21 18.408 -7.816 -10.970 1.00 0.00 C ATOM 0 H ALA A 21 18.115 -9.182 -13.686 1.00 0.00 H new ATOM 0 HA ALA A 21 20.210 -8.623 -11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.690 -8.025 -9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.681 -6.791 -11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.332 -7.944 -11.085 1.00 0.00 H new ATOM 317 N GLU A 22 19.276 -10.627 -10.325 1.00 0.00 N ATOM 318 CA GLU A 22 19.002 -11.968 -9.825 1.00 0.00 C ATOM 319 C GLU A 22 18.046 -11.862 -8.644 1.00 0.00 C ATOM 320 O GLU A 22 18.233 -11.019 -7.764 1.00 0.00 O ATOM 321 CB GLU A 22 20.292 -12.678 -9.399 1.00 0.00 C ATOM 322 CG GLU A 22 21.264 -12.918 -10.543 1.00 0.00 C ATOM 323 CD GLU A 22 22.708 -12.955 -10.084 1.00 0.00 C ATOM 324 OE1 GLU A 22 22.949 -13.294 -8.906 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.599 -12.647 -10.903 1.00 0.00 O ATOM 0 H GLU A 22 19.824 -10.044 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 22 18.551 -12.559 -10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.787 -12.083 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.036 -13.635 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 22 21.018 -13.861 -11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.144 -12.131 -11.288 1.00 0.00 H new ATOM 332 N CYS A 23 17.013 -12.697 -8.612 1.00 0.00 N ATOM 333 CA CYS A 23 16.049 -12.640 -7.524 1.00 0.00 C ATOM 334 C CYS A 23 15.778 -14.014 -6.926 1.00 0.00 C ATOM 335 O CYS A 23 15.546 -14.986 -7.644 1.00 0.00 O ATOM 336 CB CYS A 23 14.744 -12.023 -8.018 1.00 0.00 C ATOM 337 SG CYS A 23 14.939 -10.356 -8.727 1.00 0.00 S ATOM 0 H CYS A 23 16.825 -13.410 -9.316 1.00 0.00 H new ATOM 0 HA CYS A 23 16.478 -12.018 -6.738 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.305 -12.678 -8.770 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.039 -11.974 -7.188 1.00 0.00 H new ATOM 342 N LYS A 24 15.817 -14.081 -5.604 1.00 0.00 N ATOM 343 CA LYS A 24 15.579 -15.329 -4.897 1.00 0.00 C ATOM 344 C LYS A 24 14.137 -15.798 -5.074 1.00 0.00 C ATOM 345 O LYS A 24 13.197 -15.008 -4.997 1.00 0.00 O ATOM 346 CB LYS A 24 15.904 -15.170 -3.410 1.00 0.00 C ATOM 347 CG LYS A 24 15.013 -14.168 -2.694 1.00 0.00 C ATOM 348 CD LYS A 24 14.635 -14.652 -1.304 1.00 0.00 C ATOM 349 CE LYS A 24 15.641 -14.197 -0.261 1.00 0.00 C ATOM 350 NZ LYS A 24 15.667 -15.108 0.917 1.00 0.00 N ATOM 0 H LYS A 24 16.012 -13.284 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 24 16.236 -16.086 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.811 -16.140 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.943 -14.858 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.528 -13.210 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.109 -13.999 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.645 -14.276 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.574 -15.740 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.634 -14.153 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.394 -13.187 0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.366 -14.764 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.726 -15.130 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.928 -16.067 0.609 1.00 0.00 H new ATOM 364 N THR A 25 13.980 -17.095 -5.312 1.00 0.00 N ATOM 365 CA THR A 25 12.661 -17.688 -5.500 1.00 0.00 C ATOM 366 C THR A 25 12.047 -18.058 -4.157 1.00 0.00 C ATOM 367 O THR A 25 12.642 -17.815 -3.107 1.00 0.00 O ATOM 368 CB THR A 25 12.756 -18.922 -6.398 1.00 0.00 C ATOM 369 OG1 THR A 25 13.595 -19.904 -5.816 1.00 0.00 O ATOM 370 CG2 THR A 25 13.295 -18.611 -7.777 1.00 0.00 C ATOM 0 H THR A 25 14.752 -17.758 -5.380 1.00 0.00 H new ATOM 0 HA THR A 25 12.018 -16.953 -5.984 1.00 0.00 H new ATOM 0 HB THR A 25 11.735 -19.290 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.641 -20.686 -6.405 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.338 -19.527 -8.366 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.640 -17.893 -8.270 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.296 -18.188 -7.690 1.00 0.00 H new ATOM 378 N ARG A 26 10.853 -18.639 -4.187 1.00 0.00 N ATOM 379 CA ARG A 26 10.171 -19.030 -2.960 1.00 0.00 C ATOM 380 C ARG A 26 10.993 -20.052 -2.178 1.00 0.00 C ATOM 381 O ARG A 26 10.907 -20.124 -0.952 1.00 0.00 O ATOM 382 CB ARG A 26 8.790 -19.604 -3.281 1.00 0.00 C ATOM 383 CG ARG A 26 7.872 -18.620 -3.990 1.00 0.00 C ATOM 384 CD ARG A 26 6.428 -18.777 -3.536 1.00 0.00 C ATOM 385 NE ARG A 26 5.510 -17.974 -4.341 1.00 0.00 N ATOM 386 CZ ARG A 26 4.258 -17.696 -3.983 1.00 0.00 C ATOM 387 NH1 ARG A 26 3.770 -18.156 -2.837 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.491 -16.957 -4.772 1.00 0.00 N ATOM 0 H ARG A 26 10.340 -18.849 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 26 10.052 -18.140 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.910 -20.490 -3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.316 -19.928 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.207 -17.602 -3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.934 -18.774 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.141 -19.827 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.343 -18.484 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 26 5.848 -17.605 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.355 -18.726 -2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.810 -17.940 -2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.860 -16.601 -5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.532 -16.744 -4.497 1.00 0.00 H new ATOM 402 N ALA A 27 11.769 -20.859 -2.898 1.00 0.00 N ATOM 403 CA ALA A 27 12.584 -21.893 -2.271 1.00 0.00 C ATOM 404 C ALA A 27 13.899 -21.343 -1.716 1.00 0.00 C ATOM 405 O ALA A 27 14.778 -22.110 -1.323 1.00 0.00 O ATOM 406 CB ALA A 27 12.859 -23.012 -3.263 1.00 0.00 C ATOM 0 H ALA A 27 11.850 -20.816 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 27 12.018 -22.284 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.468 -23.780 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.915 -23.449 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.391 -22.611 -4.126 1.00 0.00 H new ATOM 412 N GLN A 28 14.046 -20.019 -1.701 1.00 0.00 N ATOM 413 CA GLN A 28 15.270 -19.383 -1.214 1.00 0.00 C ATOM 414 C GLN A 28 16.459 -19.680 -2.124 1.00 0.00 C ATOM 415 O GLN A 28 17.591 -19.830 -1.664 1.00 0.00 O ATOM 416 CB GLN A 28 15.579 -19.849 0.210 1.00 0.00 C ATOM 417 CG GLN A 28 14.378 -19.801 1.139 1.00 0.00 C ATOM 418 CD GLN A 28 14.751 -20.067 2.584 1.00 0.00 C ATOM 419 OE1 GLN A 28 15.379 -21.078 2.899 1.00 0.00 O ATOM 420 NE2 GLN A 28 14.363 -19.159 3.471 1.00 0.00 N ATOM 0 H GLN A 28 13.332 -19.365 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 28 15.104 -18.306 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.960 -20.870 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.373 -19.226 0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.903 -18.823 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.643 -20.538 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.844 -18.336 3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.584 -19.284 4.459 1.00 0.00 H new ATOM 429 N GLN A 29 16.189 -19.718 -3.424 1.00 0.00 N ATOM 430 CA GLN A 29 17.221 -19.945 -4.428 1.00 0.00 C ATOM 431 C GLN A 29 17.298 -18.730 -5.344 1.00 0.00 C ATOM 432 O GLN A 29 16.269 -18.199 -5.754 1.00 0.00 O ATOM 433 CB GLN A 29 16.918 -21.206 -5.240 1.00 0.00 C ATOM 434 CG GLN A 29 17.271 -22.492 -4.512 1.00 0.00 C ATOM 435 CD GLN A 29 17.355 -23.686 -5.442 1.00 0.00 C ATOM 436 OE1 GLN A 29 16.350 -24.126 -6.001 1.00 0.00 O ATOM 437 NE2 GLN A 29 18.560 -24.219 -5.611 1.00 0.00 N ATOM 0 H GLN A 29 15.253 -19.593 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 29 18.180 -20.090 -3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.858 -21.220 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.470 -21.166 -6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.226 -22.366 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.523 -22.687 -3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.366 -23.822 -5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.680 -25.025 -6.224 1.00 0.00 H new ATOM 446 N PHE A 30 18.508 -18.271 -5.648 1.00 0.00 N ATOM 447 CA PHE A 30 18.674 -17.092 -6.496 1.00 0.00 C ATOM 448 C PHE A 30 18.822 -17.466 -7.966 1.00 0.00 C ATOM 449 O PHE A 30 19.702 -18.243 -8.337 1.00 0.00 O ATOM 450 CB PHE A 30 19.897 -16.290 -6.049 1.00 0.00 C ATOM 451 CG PHE A 30 19.826 -15.827 -4.623 1.00 0.00 C ATOM 452 CD1 PHE A 30 20.219 -16.662 -3.591 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.365 -14.556 -4.315 1.00 0.00 C ATOM 454 CE1 PHE A 30 20.155 -16.240 -2.276 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.298 -14.129 -3.002 1.00 0.00 C ATOM 456 CZ PHE A 30 19.693 -14.972 -1.981 1.00 0.00 C ATOM 0 H PHE A 30 19.380 -18.691 -5.325 1.00 0.00 H new ATOM 0 HA PHE A 30 17.774 -16.486 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.789 -16.902 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.009 -15.422 -6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.580 -17.655 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.055 -13.893 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 30 20.466 -16.901 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 30 18.937 -13.137 -2.774 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.641 -14.640 -0.955 1.00 0.00 H new ATOM 466 N VAL A 31 17.958 -16.894 -8.800 1.00 0.00 N ATOM 467 CA VAL A 31 17.988 -17.145 -10.231 1.00 0.00 C ATOM 468 C VAL A 31 17.973 -15.827 -11.000 1.00 0.00 C ATOM 469 O VAL A 31 17.417 -14.833 -10.532 1.00 0.00 O ATOM 470 CB VAL A 31 16.796 -18.013 -10.680 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.898 -19.408 -10.084 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.479 -17.358 -10.294 1.00 0.00 C ATOM 0 H VAL A 31 17.225 -16.250 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 31 18.908 -17.687 -10.448 1.00 0.00 H new ATOM 0 HB VAL A 31 16.826 -18.101 -11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.048 -20.007 -10.412 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.823 -19.879 -10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.896 -19.340 -8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.651 -17.987 -10.620 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.437 -17.235 -9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.404 -16.382 -10.773 1.00 0.00 H new ATOM 482 N SER A 32 18.618 -15.812 -12.159 1.00 0.00 N ATOM 483 CA SER A 32 18.703 -14.600 -12.967 1.00 0.00 C ATOM 484 C SER A 32 17.355 -14.232 -13.581 1.00 0.00 C ATOM 485 O SER A 32 16.635 -15.084 -14.100 1.00 0.00 O ATOM 486 CB SER A 32 19.744 -14.773 -14.072 1.00 0.00 C ATOM 487 OG SER A 32 19.835 -13.609 -14.876 1.00 0.00 O ATOM 0 H SER A 32 19.089 -16.622 -12.561 1.00 0.00 H new ATOM 0 HA SER A 32 19.004 -13.787 -12.306 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.716 -14.989 -13.629 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.480 -15.628 -14.694 1.00 0.00 H new ATOM 0 HG SER A 32 20.509 -13.745 -15.574 1.00 0.00 H new ATOM 493 N THR A 33 17.038 -12.941 -13.522 1.00 0.00 N ATOM 494 CA THR A 33 15.793 -12.415 -14.068 1.00 0.00 C ATOM 495 C THR A 33 16.034 -11.041 -14.687 1.00 0.00 C ATOM 496 O THR A 33 17.041 -10.393 -14.401 1.00 0.00 O ATOM 497 CB THR A 33 14.722 -12.323 -12.979 1.00 0.00 C ATOM 498 OG1 THR A 33 13.561 -11.679 -13.472 1.00 0.00 O ATOM 499 CG2 THR A 33 15.178 -11.568 -11.750 1.00 0.00 C ATOM 0 H THR A 33 17.636 -12.233 -13.095 1.00 0.00 H new ATOM 0 HA THR A 33 15.438 -13.096 -14.841 1.00 0.00 H new ATOM 0 HB THR A 33 14.513 -13.354 -12.694 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.202 -12.187 -14.229 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.370 -11.541 -11.019 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.044 -12.068 -11.316 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.449 -10.550 -12.028 1.00 0.00 H new ATOM 507 N LYS A 34 15.119 -10.600 -15.542 1.00 0.00 N ATOM 508 CA LYS A 34 15.274 -9.312 -16.198 1.00 0.00 C ATOM 509 C LYS A 34 13.942 -8.587 -16.349 1.00 0.00 C ATOM 510 O LYS A 34 12.876 -9.203 -16.357 1.00 0.00 O ATOM 511 CB LYS A 34 15.918 -9.498 -17.573 1.00 0.00 C ATOM 512 CG LYS A 34 16.544 -8.229 -18.132 1.00 0.00 C ATOM 513 CD LYS A 34 17.391 -8.520 -19.361 1.00 0.00 C ATOM 514 CE LYS A 34 16.544 -8.555 -20.624 1.00 0.00 C ATOM 515 NZ LYS A 34 17.377 -8.496 -21.857 1.00 0.00 N ATOM 0 H LYS A 34 14.272 -11.110 -15.794 1.00 0.00 H new ATOM 0 HA LYS A 34 15.919 -8.699 -15.568 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.684 -10.270 -17.504 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.163 -9.859 -18.272 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.759 -7.518 -18.390 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.161 -7.759 -17.366 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.164 -7.758 -19.461 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.900 -9.476 -19.236 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.946 -9.466 -20.634 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.848 -7.717 -20.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.760 -8.522 -22.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.929 -7.615 -21.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.024 -9.310 -21.878 1.00 0.00 H new ATOM 529 N ILE A 35 14.027 -7.269 -16.484 1.00 0.00 N ATOM 530 CA ILE A 35 12.854 -6.421 -16.648 1.00 0.00 C ATOM 531 C ILE A 35 13.144 -5.359 -17.701 1.00 0.00 C ATOM 532 O ILE A 35 14.149 -4.655 -17.614 1.00 0.00 O ATOM 533 CB ILE A 35 12.472 -5.743 -15.315 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.193 -4.919 -15.471 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.612 -4.870 -14.814 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.967 -5.605 -14.910 1.00 0.00 C ATOM 0 H ILE A 35 14.910 -6.759 -16.483 1.00 0.00 H new ATOM 0 HA ILE A 35 12.017 -7.041 -16.967 1.00 0.00 H new ATOM 0 HB ILE A 35 12.286 -6.524 -14.578 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.324 -3.959 -14.971 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.031 -4.709 -16.528 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.324 -4.400 -13.873 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.499 -5.484 -14.657 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.831 -4.099 -15.552 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.095 -4.967 -15.053 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.812 -6.552 -15.426 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.109 -5.791 -13.845 1.00 0.00 H new ATOM 548 N ASN A 36 12.278 -5.248 -18.705 1.00 0.00 N ATOM 549 CA ASN A 36 12.475 -4.279 -19.778 1.00 0.00 C ATOM 550 C ASN A 36 11.868 -2.925 -19.427 1.00 0.00 C ATOM 551 O ASN A 36 10.654 -2.804 -19.271 1.00 0.00 O ATOM 552 CB ASN A 36 11.840 -4.799 -21.068 1.00 0.00 C ATOM 553 CG ASN A 36 12.346 -4.068 -22.294 1.00 0.00 C ATOM 554 OD1 ASN A 36 11.818 -3.022 -22.667 1.00 0.00 O ATOM 555 ND2 ASN A 36 13.378 -4.614 -22.927 1.00 0.00 N ATOM 0 H ASN A 36 11.436 -5.816 -18.797 1.00 0.00 H new ATOM 0 HA ASN A 36 13.548 -4.148 -19.916 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.050 -5.864 -21.170 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.757 -4.693 -21.006 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.763 -4.164 -23.757 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.786 -5.483 -22.583 1.00 0.00 H new ATOM 562 N LEU A 37 12.710 -1.906 -19.329 1.00 0.00 N ATOM 563 CA LEU A 37 12.241 -0.561 -19.020 1.00 0.00 C ATOM 564 C LEU A 37 11.818 0.168 -20.296 1.00 0.00 C ATOM 565 O LEU A 37 11.152 1.202 -20.236 1.00 0.00 O ATOM 566 CB LEU A 37 13.327 0.231 -18.290 1.00 0.00 C ATOM 567 CG LEU A 37 13.874 -0.438 -17.027 1.00 0.00 C ATOM 568 CD1 LEU A 37 14.985 -1.419 -17.374 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.371 0.610 -16.043 1.00 0.00 C ATOM 0 H LEU A 37 13.719 -1.984 -19.458 1.00 0.00 H new ATOM 0 HA LEU A 37 11.373 -0.643 -18.366 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.154 0.405 -18.978 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.925 1.208 -18.021 1.00 0.00 H new ATOM 0 HG LEU A 37 13.064 -0.996 -16.556 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.359 -1.883 -16.461 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.595 -2.190 -18.039 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.797 -0.888 -17.870 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.757 0.117 -15.150 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.165 1.196 -16.506 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.548 1.269 -15.767 1.00 0.00 H new ATOM 581 N ASP A 38 12.240 -0.360 -21.448 1.00 0.00 N ATOM 582 CA ASP A 38 11.931 0.255 -22.737 1.00 0.00 C ATOM 583 C ASP A 38 10.425 0.454 -22.928 1.00 0.00 C ATOM 584 O ASP A 38 9.979 1.537 -23.308 1.00 0.00 O ATOM 585 CB ASP A 38 12.463 -0.601 -23.895 1.00 0.00 C ATOM 586 CG ASP A 38 13.808 -1.249 -23.609 1.00 0.00 C ATOM 587 OD1 ASP A 38 13.993 -1.779 -22.493 1.00 0.00 O ATOM 588 OD2 ASP A 38 14.675 -1.231 -24.507 1.00 0.00 O ATOM 0 H ASP A 38 12.797 -1.212 -21.512 1.00 0.00 H new ATOM 0 HA ASP A 38 12.420 1.229 -22.741 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.736 -1.380 -24.123 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.552 0.022 -24.785 1.00 0.00 H new ATOM 593 N ASP A 39 9.636 -0.584 -22.657 1.00 0.00 N ATOM 594 CA ASP A 39 8.180 -0.490 -22.799 1.00 0.00 C ATOM 595 C ASP A 39 7.517 -0.073 -21.492 1.00 0.00 C ATOM 596 O ASP A 39 6.327 0.234 -21.465 1.00 0.00 O ATOM 597 CB ASP A 39 7.571 -1.804 -23.290 1.00 0.00 C ATOM 598 CG ASP A 39 8.196 -3.023 -22.640 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.740 -3.408 -21.543 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.139 -3.593 -23.228 1.00 0.00 O ATOM 0 H ASP A 39 9.974 -1.493 -22.341 1.00 0.00 H new ATOM 0 HA ASP A 39 7.991 0.279 -23.548 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.500 -1.800 -23.088 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.692 -1.873 -24.371 1.00 0.00 H new ATOM 605 N HIS A 40 8.284 -0.062 -20.405 1.00 0.00 N ATOM 606 CA HIS A 40 7.752 0.326 -19.102 1.00 0.00 C ATOM 607 C HIS A 40 8.063 1.794 -18.842 1.00 0.00 C ATOM 608 O HIS A 40 7.169 2.641 -18.854 1.00 0.00 O ATOM 609 CB HIS A 40 8.356 -0.549 -18.001 1.00 0.00 C ATOM 610 CG HIS A 40 7.631 -1.846 -17.811 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.266 -1.922 -17.624 1.00 0.00 N ATOM 612 CD2 HIS A 40 8.081 -3.124 -17.800 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.909 -3.189 -17.507 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.991 -3.937 -17.610 1.00 0.00 N ATOM 0 H HIS A 40 9.272 -0.316 -20.400 1.00 0.00 H new ATOM 0 HA HIS A 40 6.671 0.184 -19.099 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.399 -0.755 -18.242 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.349 0.004 -17.062 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.106 -3.444 -17.919 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.903 -3.551 -17.353 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.014 -4.955 -17.557 1.00 0.00 H new ATOM 623 N ILE A 41 9.343 2.090 -18.631 1.00 0.00 N ATOM 624 CA ILE A 41 9.777 3.459 -18.399 1.00 0.00 C ATOM 625 C ILE A 41 9.871 4.213 -19.725 1.00 0.00 C ATOM 626 O ILE A 41 10.094 3.615 -20.776 1.00 0.00 O ATOM 627 CB ILE A 41 11.134 3.514 -17.656 1.00 0.00 C ATOM 628 CG1 ILE A 41 10.992 2.943 -16.243 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.659 4.943 -17.590 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.643 1.472 -16.211 1.00 0.00 C ATOM 0 H ILE A 41 10.094 1.400 -18.616 1.00 0.00 H new ATOM 0 HA ILE A 41 9.033 3.938 -17.763 1.00 0.00 H new ATOM 0 HB ILE A 41 11.849 2.908 -18.213 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.927 3.097 -15.703 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.221 3.501 -15.711 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.613 4.956 -17.063 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.797 5.327 -18.601 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.943 5.570 -17.058 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.560 1.140 -15.176 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.693 1.312 -16.721 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.425 0.902 -16.713 1.00 0.00 H new ATOM 642 N ALA A 42 9.670 5.521 -19.658 1.00 0.00 N ATOM 643 CA ALA A 42 9.706 6.371 -20.851 1.00 0.00 C ATOM 644 C ALA A 42 10.365 7.721 -20.571 1.00 0.00 C ATOM 645 O ALA A 42 10.682 8.048 -19.428 1.00 0.00 O ATOM 646 CB ALA A 42 8.299 6.576 -21.384 1.00 0.00 C ATOM 0 H ALA A 42 9.479 6.023 -18.791 1.00 0.00 H new ATOM 0 HA ALA A 42 10.310 5.862 -21.602 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.334 7.209 -22.271 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.864 5.611 -21.644 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.687 7.056 -20.620 1.00 0.00 H new ATOM 652 N ASN A 43 10.580 8.490 -21.638 1.00 0.00 N ATOM 653 CA ASN A 43 11.208 9.807 -21.537 1.00 0.00 C ATOM 654 C ASN A 43 10.215 10.915 -21.888 1.00 0.00 C ATOM 655 O ASN A 43 9.783 11.030 -23.035 1.00 0.00 O ATOM 656 CB ASN A 43 12.415 9.880 -22.473 1.00 0.00 C ATOM 657 CG ASN A 43 13.075 11.244 -22.467 1.00 0.00 C ATOM 658 OD1 ASN A 43 12.857 12.009 -23.530 1.00 0.00 O flip ATOM 659 ND2 ASN A 43 13.769 11.605 -21.517 1.00 0.00 N flip ATOM 0 H ASN A 43 10.326 8.221 -22.589 1.00 0.00 H new ATOM 0 HA ASN A 43 11.535 9.952 -20.507 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.145 9.126 -22.178 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.099 9.638 -23.488 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.908 10.982 -20.721 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.205 12.527 -21.525 1.00 0.00 H new ATOM 666 N ILE A 44 9.860 11.728 -20.898 1.00 0.00 N ATOM 667 CA ILE A 44 8.922 12.827 -21.108 1.00 0.00 C ATOM 668 C ILE A 44 9.609 14.185 -20.941 1.00 0.00 C ATOM 669 O ILE A 44 9.652 14.739 -19.843 1.00 0.00 O ATOM 670 CB ILE A 44 7.715 12.720 -20.148 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.865 11.501 -20.513 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.866 13.985 -20.192 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.527 10.179 -20.191 1.00 0.00 C ATOM 0 H ILE A 44 10.207 11.647 -19.942 1.00 0.00 H new ATOM 0 HA ILE A 44 8.558 12.751 -22.133 1.00 0.00 H new ATOM 0 HB ILE A 44 8.094 12.603 -19.133 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.915 11.560 -19.983 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.638 11.533 -21.579 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.024 13.882 -19.507 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.473 14.841 -19.895 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.493 14.138 -21.205 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.865 9.361 -20.477 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.464 10.097 -20.742 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.729 10.124 -19.121 1.00 0.00 H new ATOM 685 N ASP A 45 10.143 14.713 -22.043 1.00 0.00 N ATOM 686 CA ASP A 45 10.827 16.009 -22.034 1.00 0.00 C ATOM 687 C ASP A 45 12.149 15.941 -21.274 1.00 0.00 C ATOM 688 O ASP A 45 12.517 16.880 -20.567 1.00 0.00 O ATOM 689 CB ASP A 45 9.930 17.083 -21.413 1.00 0.00 C ATOM 690 CG ASP A 45 10.503 18.478 -21.578 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.256 18.699 -22.549 1.00 0.00 O ATOM 692 OD2 ASP A 45 10.199 19.349 -20.735 1.00 0.00 O ATOM 0 H ASP A 45 10.115 14.262 -22.957 1.00 0.00 H new ATOM 0 HA ASP A 45 11.042 16.271 -23.070 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.944 17.041 -21.875 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.795 16.871 -20.352 1.00 0.00 H new ATOM 697 N GLY A 46 12.866 14.835 -21.433 1.00 0.00 N ATOM 698 CA GLY A 46 14.144 14.680 -20.762 1.00 0.00 C ATOM 699 C GLY A 46 14.010 14.172 -19.337 1.00 0.00 C ATOM 700 O GLY A 46 15.007 14.049 -18.625 1.00 0.00 O ATOM 0 H GLY A 46 12.587 14.044 -22.013 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.765 13.988 -21.331 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.661 15.639 -20.752 1.00 0.00 H new ATOM 704 N THR A 47 12.783 13.873 -18.915 1.00 0.00 N ATOM 705 CA THR A 47 12.543 13.379 -17.563 1.00 0.00 C ATOM 706 C THR A 47 11.995 11.955 -17.587 1.00 0.00 C ATOM 707 O THR A 47 11.157 11.613 -18.422 1.00 0.00 O ATOM 708 CB THR A 47 11.568 14.301 -16.830 1.00 0.00 C ATOM 709 OG1 THR A 47 12.041 15.636 -16.838 1.00 0.00 O ATOM 710 CG2 THR A 47 11.338 13.904 -15.389 1.00 0.00 C ATOM 0 H THR A 47 11.944 13.964 -19.488 1.00 0.00 H new ATOM 0 HA THR A 47 13.496 13.369 -17.033 1.00 0.00 H new ATOM 0 HB THR A 47 10.625 14.212 -17.369 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.404 16.212 -16.366 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.637 14.599 -14.928 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.927 12.895 -15.351 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.284 13.931 -14.849 1.00 0.00 H new ATOM 718 N LEU A 48 12.508 11.122 -16.690 1.00 0.00 N ATOM 719 CA LEU A 48 12.107 9.721 -16.632 1.00 0.00 C ATOM 720 C LEU A 48 10.747 9.545 -15.964 1.00 0.00 C ATOM 721 O LEU A 48 10.566 9.841 -14.783 1.00 0.00 O ATOM 722 CB LEU A 48 13.160 8.903 -15.880 1.00 0.00 C ATOM 723 CG LEU A 48 14.448 8.630 -16.657 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.539 8.128 -15.723 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.194 7.627 -17.772 1.00 0.00 C ATOM 0 H LEU A 48 13.202 11.392 -15.993 1.00 0.00 H new ATOM 0 HA LEU A 48 12.025 9.362 -17.658 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.414 9.427 -14.959 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.719 7.949 -15.593 1.00 0.00 H new ATOM 0 HG LEU A 48 14.785 9.565 -17.106 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.448 7.939 -16.294 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.739 8.880 -14.960 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.212 7.204 -15.245 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.121 7.444 -18.315 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.833 6.691 -17.345 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.445 8.026 -18.456 1.00 0.00 H new ATOM 737 N LYS A 49 9.801 9.044 -16.753 1.00 0.00 N ATOM 738 CA LYS A 49 8.441 8.794 -16.297 1.00 0.00 C ATOM 739 C LYS A 49 7.964 7.446 -16.830 1.00 0.00 C ATOM 740 O LYS A 49 8.554 6.900 -17.762 1.00 0.00 O ATOM 741 CB LYS A 49 7.500 9.910 -16.754 1.00 0.00 C ATOM 742 CG LYS A 49 8.077 11.306 -16.579 1.00 0.00 C ATOM 743 CD LYS A 49 6.999 12.372 -16.693 1.00 0.00 C ATOM 744 CE LYS A 49 7.565 13.764 -16.459 1.00 0.00 C ATOM 745 NZ LYS A 49 6.560 14.681 -15.855 1.00 0.00 N ATOM 0 H LYS A 49 9.959 8.800 -17.731 1.00 0.00 H new ATOM 0 HA LYS A 49 8.434 8.774 -15.207 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.253 9.758 -17.805 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.568 9.839 -16.194 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.563 11.381 -15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.845 11.481 -17.333 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.543 12.325 -17.682 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.210 12.172 -15.968 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.434 13.697 -15.804 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.911 14.178 -17.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.987 15.619 -15.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.742 14.766 -16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.248 14.300 -14.939 1.00 0.00 H new ATOM 759 N TRP A 50 6.908 6.900 -16.236 1.00 0.00 N ATOM 760 CA TRP A 50 6.391 5.601 -16.664 1.00 0.00 C ATOM 761 C TRP A 50 5.374 5.733 -17.799 1.00 0.00 C ATOM 762 O TRP A 50 4.373 6.439 -17.677 1.00 0.00 O ATOM 763 CB TRP A 50 5.772 4.861 -15.478 1.00 0.00 C ATOM 764 CG TRP A 50 6.806 4.214 -14.613 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.510 3.079 -14.892 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.272 4.674 -13.341 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.390 2.809 -13.873 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.259 3.772 -12.908 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.952 5.763 -12.527 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.926 3.924 -11.698 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.617 5.912 -11.326 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.594 4.997 -10.921 1.00 0.00 C ATOM 0 H TRP A 50 6.397 7.329 -15.465 1.00 0.00 H new ATOM 0 HA TRP A 50 7.233 5.024 -17.048 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.187 5.561 -14.881 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.082 4.102 -15.846 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.392 2.481 -15.783 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.036 2.020 -13.840 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.199 6.475 -12.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.680 3.218 -11.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.378 6.750 -10.688 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.096 5.142 -9.976 1.00 0.00 H new ATOM 783 N GLN A 51 5.648 5.042 -18.904 1.00 0.00 N ATOM 784 CA GLN A 51 4.775 5.066 -20.076 1.00 0.00 C ATOM 785 C GLN A 51 5.302 4.109 -21.146 1.00 0.00 C ATOM 786 O GLN A 51 6.509 3.881 -21.234 1.00 0.00 O ATOM 787 CB GLN A 51 4.687 6.490 -20.634 1.00 0.00 C ATOM 788 CG GLN A 51 3.848 6.604 -21.896 1.00 0.00 C ATOM 789 CD GLN A 51 3.860 8.004 -22.479 1.00 0.00 C ATOM 790 OE1 GLN A 51 5.054 8.547 -22.691 1.00 0.00 O flip ATOM 791 NE2 GLN A 51 2.809 8.591 -22.736 1.00 0.00 N flip ATOM 0 H GLN A 51 6.475 4.454 -19.012 1.00 0.00 H new ATOM 0 HA GLN A 51 3.777 4.742 -19.780 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.267 7.144 -19.870 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.694 6.850 -20.845 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.221 5.901 -22.641 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.821 6.316 -21.672 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.914 8.136 -22.557 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.833 9.532 -23.128 1.00 0.00 H new ATOM 800 N PRO A 52 4.412 3.519 -21.972 1.00 0.00 N ATOM 801 CA PRO A 52 4.820 2.577 -23.017 1.00 0.00 C ATOM 802 C PRO A 52 5.614 3.250 -24.131 1.00 0.00 C ATOM 803 O PRO A 52 5.177 3.317 -25.280 1.00 0.00 O ATOM 804 CB PRO A 52 3.502 2.001 -23.551 1.00 0.00 C ATOM 805 CG PRO A 52 2.447 2.444 -22.588 1.00 0.00 C ATOM 806 CD PRO A 52 2.955 3.706 -21.951 1.00 0.00 C ATOM 0 HA PRO A 52 5.487 1.810 -22.622 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.293 2.367 -24.556 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.546 0.914 -23.611 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.502 2.622 -23.102 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.261 1.677 -21.836 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.653 4.591 -22.511 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.577 3.827 -20.936 1.00 0.00 H new ATOM 814 N SER A 53 6.796 3.724 -23.769 1.00 0.00 N ATOM 815 CA SER A 53 7.704 4.377 -24.700 1.00 0.00 C ATOM 816 C SER A 53 9.124 4.256 -24.164 1.00 0.00 C ATOM 817 O SER A 53 9.354 4.424 -22.968 1.00 0.00 O ATOM 818 CB SER A 53 7.319 5.845 -24.904 1.00 0.00 C ATOM 819 OG SER A 53 6.914 6.444 -23.686 1.00 0.00 O ATOM 0 H SER A 53 7.155 3.666 -22.816 1.00 0.00 H new ATOM 0 HA SER A 53 7.639 3.889 -25.673 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.167 6.392 -25.317 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.511 5.914 -25.632 1.00 0.00 H new ATOM 0 HG SER A 53 6.228 7.121 -23.866 1.00 0.00 H new ATOM 825 N ASN A 54 10.065 3.915 -25.034 1.00 0.00 N ATOM 826 CA ASN A 54 11.454 3.723 -24.611 1.00 0.00 C ATOM 827 C ASN A 54 12.218 5.038 -24.520 1.00 0.00 C ATOM 828 O ASN A 54 12.597 5.626 -25.531 1.00 0.00 O ATOM 829 CB ASN A 54 12.200 2.759 -25.549 1.00 0.00 C ATOM 830 CG ASN A 54 11.297 2.020 -26.526 1.00 0.00 C ATOM 831 OD1 ASN A 54 11.581 1.957 -27.722 1.00 0.00 O ATOM 832 ND2 ASN A 54 10.203 1.458 -26.023 1.00 0.00 N ATOM 0 H ASN A 54 9.899 3.766 -26.029 1.00 0.00 H new ATOM 0 HA ASN A 54 11.409 3.286 -23.613 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.944 3.321 -26.113 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.741 2.029 -24.947 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.563 0.951 -26.634 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.004 1.533 -25.026 1.00 0.00 H new ATOM 839 N PHE A 55 12.466 5.471 -23.289 1.00 0.00 N ATOM 840 CA PHE A 55 13.213 6.696 -23.033 1.00 0.00 C ATOM 841 C PHE A 55 14.491 6.731 -23.874 1.00 0.00 C ATOM 842 O PHE A 55 14.971 7.796 -24.259 1.00 0.00 O ATOM 843 CB PHE A 55 13.557 6.801 -21.542 1.00 0.00 C ATOM 844 CG PHE A 55 14.315 5.618 -21.007 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.654 4.457 -20.634 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.693 5.669 -20.882 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.356 3.370 -20.148 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.399 4.586 -20.395 1.00 0.00 C ATOM 849 CZ PHE A 55 15.730 3.435 -20.029 1.00 0.00 C ATOM 0 H PHE A 55 12.157 4.987 -22.446 1.00 0.00 H new ATOM 0 HA PHE A 55 12.592 7.547 -23.313 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.147 7.703 -21.378 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.634 6.916 -20.973 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.579 4.402 -20.724 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.222 6.566 -21.169 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.830 2.471 -19.862 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.474 4.640 -20.301 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.281 2.587 -19.650 1.00 0.00 H new ATOM 859 N SER A 56 15.029 5.543 -24.154 1.00 0.00 N ATOM 860 CA SER A 56 16.257 5.396 -24.937 1.00 0.00 C ATOM 861 C SER A 56 16.232 6.200 -26.242 1.00 0.00 C ATOM 862 O SER A 56 17.278 6.435 -26.846 1.00 0.00 O ATOM 863 CB SER A 56 16.498 3.919 -25.257 1.00 0.00 C ATOM 864 OG SER A 56 15.317 3.301 -25.737 1.00 0.00 O ATOM 0 H SER A 56 14.627 4.658 -23.845 1.00 0.00 H new ATOM 0 HA SER A 56 17.068 5.792 -24.326 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.288 3.830 -26.003 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.845 3.402 -24.362 1.00 0.00 H new ATOM 0 HG SER A 56 15.113 2.515 -25.188 1.00 0.00 H new ATOM 870 N GLN A 57 15.045 6.605 -26.688 1.00 0.00 N ATOM 871 CA GLN A 57 14.921 7.357 -27.935 1.00 0.00 C ATOM 872 C GLN A 57 15.604 8.720 -27.840 1.00 0.00 C ATOM 873 O GLN A 57 16.048 9.270 -28.849 1.00 0.00 O ATOM 874 CB GLN A 57 13.446 7.535 -28.302 1.00 0.00 C ATOM 875 CG GLN A 57 12.746 6.233 -28.655 1.00 0.00 C ATOM 876 CD GLN A 57 12.533 6.069 -30.148 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.066 6.835 -30.951 1.00 0.00 O ATOM 878 NE2 GLN A 57 11.750 5.066 -30.529 1.00 0.00 N ATOM 0 H GLN A 57 14.162 6.427 -26.209 1.00 0.00 H new ATOM 0 HA GLN A 57 15.421 6.785 -28.717 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.926 8.002 -27.466 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.370 8.219 -29.147 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.336 5.396 -28.282 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.782 6.195 -28.148 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.328 4.455 -29.830 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.571 4.907 -31.520 1.00 0.00 H new ATOM 887 N THR A 58 15.697 9.260 -26.629 1.00 0.00 N ATOM 888 CA THR A 58 16.337 10.557 -26.425 1.00 0.00 C ATOM 889 C THR A 58 17.395 10.492 -25.325 1.00 0.00 C ATOM 890 O THR A 58 18.067 11.485 -25.043 1.00 0.00 O ATOM 891 CB THR A 58 15.302 11.618 -26.048 1.00 0.00 C ATOM 892 OG1 THR A 58 14.980 11.525 -24.674 1.00 0.00 O ATOM 893 CG2 THR A 58 14.007 11.511 -26.822 1.00 0.00 C ATOM 0 H THR A 58 15.340 8.824 -25.779 1.00 0.00 H new ATOM 0 HA THR A 58 16.817 10.826 -27.366 1.00 0.00 H new ATOM 0 HB THR A 58 15.770 12.572 -26.293 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.144 12.007 -24.500 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.324 12.297 -26.499 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.210 11.622 -27.887 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.553 10.537 -26.638 1.00 0.00 H new ATOM 901 N CYS A 59 17.527 9.334 -24.687 1.00 0.00 N ATOM 902 CA CYS A 59 18.489 9.174 -23.605 1.00 0.00 C ATOM 903 C CYS A 59 19.659 8.290 -24.012 1.00 0.00 C ATOM 904 O CYS A 59 19.520 7.389 -24.838 1.00 0.00 O ATOM 905 CB CYS A 59 17.803 8.584 -22.370 1.00 0.00 C ATOM 906 SG CYS A 59 16.156 9.284 -22.024 1.00 0.00 S ATOM 0 H CYS A 59 16.983 8.498 -24.899 1.00 0.00 H new ATOM 0 HA CYS A 59 18.881 10.163 -23.370 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.707 7.506 -22.502 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.443 8.743 -21.502 1.00 0.00 H new ATOM 911 N TYR A 60 20.819 8.576 -23.430 1.00 0.00 N ATOM 912 CA TYR A 60 22.039 7.829 -23.714 1.00 0.00 C ATOM 913 C TYR A 60 22.856 7.661 -22.436 1.00 0.00 C ATOM 914 O TYR A 60 22.694 8.424 -21.482 1.00 0.00 O ATOM 915 CB TYR A 60 22.871 8.547 -24.779 1.00 0.00 C ATOM 916 CG TYR A 60 23.384 9.901 -24.339 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.507 10.938 -24.046 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.746 10.139 -24.215 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.975 12.174 -23.642 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.221 11.372 -23.811 1.00 0.00 C ATOM 921 CZ TYR A 60 24.331 12.386 -23.526 1.00 0.00 C ATOM 922 OH TYR A 60 24.800 13.615 -23.122 1.00 0.00 O ATOM 0 H TYR A 60 20.940 9.328 -22.752 1.00 0.00 H new ATOM 0 HA TYR A 60 21.765 6.845 -24.094 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.719 7.918 -25.051 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.266 8.672 -25.677 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.443 10.776 -24.135 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.446 9.347 -24.438 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.280 12.970 -23.418 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.284 11.541 -23.719 1.00 0.00 H new ATOM 0 HH TYR A 60 24.238 14.321 -23.504 1.00 0.00 H new ATOM 932 N ASN A 61 23.717 6.649 -22.413 1.00 0.00 N ATOM 933 CA ASN A 61 24.544 6.380 -21.241 1.00 0.00 C ATOM 934 C ASN A 61 23.677 6.020 -20.039 1.00 0.00 C ATOM 935 O ASN A 61 23.883 6.523 -18.934 1.00 0.00 O ATOM 936 CB ASN A 61 25.417 7.595 -20.917 1.00 0.00 C ATOM 937 CG ASN A 61 26.368 7.938 -22.046 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.323 7.331 -23.116 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.237 8.914 -21.813 1.00 0.00 N ATOM 0 H ASN A 61 23.860 6.003 -23.189 1.00 0.00 H new ATOM 0 HA ASN A 61 25.190 5.531 -21.466 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.778 8.454 -20.710 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.989 7.397 -20.011 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.903 9.188 -22.536 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.239 9.390 -20.911 1.00 0.00 H new ATOM 946 N SER A 62 22.699 5.151 -20.269 1.00 0.00 N ATOM 947 CA SER A 62 21.799 4.718 -19.210 1.00 0.00 C ATOM 948 C SER A 62 22.537 3.849 -18.202 1.00 0.00 C ATOM 949 O SER A 62 23.328 2.981 -18.572 1.00 0.00 O ATOM 950 CB SER A 62 20.606 3.961 -19.794 1.00 0.00 C ATOM 951 OG SER A 62 19.686 4.852 -20.401 1.00 0.00 O ATOM 0 H SER A 62 22.510 4.733 -21.180 1.00 0.00 H new ATOM 0 HA SER A 62 21.427 5.604 -18.695 1.00 0.00 H new ATOM 0 HB2 SER A 62 20.955 3.237 -20.530 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.106 3.399 -19.005 1.00 0.00 H new ATOM 0 HG SER A 62 19.229 4.398 -21.139 1.00 0.00 H new ATOM 957 N ALA A 63 22.270 4.091 -16.925 1.00 0.00 N ATOM 958 CA ALA A 63 22.908 3.334 -15.855 1.00 0.00 C ATOM 959 C ALA A 63 21.935 3.044 -14.720 1.00 0.00 C ATOM 960 O ALA A 63 21.000 3.806 -14.480 1.00 0.00 O ATOM 961 CB ALA A 63 24.118 4.090 -15.328 1.00 0.00 C ATOM 0 H ALA A 63 21.616 4.805 -16.605 1.00 0.00 H new ATOM 0 HA ALA A 63 23.233 2.379 -16.269 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.587 3.515 -14.529 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.834 4.239 -16.136 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.802 5.058 -14.941 1.00 0.00 H new ATOM 967 N ILE A 64 22.160 1.937 -14.021 1.00 0.00 N ATOM 968 CA ILE A 64 21.299 1.557 -12.914 1.00 0.00 C ATOM 969 C ILE A 64 22.100 1.242 -11.655 1.00 0.00 C ATOM 970 O ILE A 64 23.156 0.613 -11.710 1.00 0.00 O ATOM 971 CB ILE A 64 20.410 0.351 -13.284 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.338 0.805 -14.276 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.763 -0.256 -12.042 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.336 -0.267 -14.623 1.00 0.00 C ATOM 0 H ILE A 64 22.929 1.291 -14.202 1.00 0.00 H new ATOM 0 HA ILE A 64 20.659 2.415 -12.706 1.00 0.00 H new ATOM 0 HB ILE A 64 21.031 -0.419 -13.742 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.809 1.662 -13.858 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.824 1.145 -15.191 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.142 -1.104 -12.332 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.539 -0.593 -11.355 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.145 0.495 -11.550 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.608 0.130 -15.331 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.852 -1.116 -15.071 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.822 -0.591 -13.718 1.00 0.00 H new ATOM 986 N GLN A 65 21.566 1.676 -10.522 1.00 0.00 N ATOM 987 CA GLN A 65 22.186 1.446 -9.225 1.00 0.00 C ATOM 988 C GLN A 65 21.113 1.036 -8.230 1.00 0.00 C ATOM 989 O GLN A 65 20.269 1.846 -7.846 1.00 0.00 O ATOM 990 CB GLN A 65 22.905 2.705 -8.737 1.00 0.00 C ATOM 991 CG GLN A 65 24.107 3.089 -9.584 1.00 0.00 C ATOM 992 CD GLN A 65 25.186 3.791 -8.781 1.00 0.00 C ATOM 993 OE1 GLN A 65 26.189 3.185 -8.407 1.00 0.00 O ATOM 994 NE2 GLN A 65 24.982 5.075 -8.513 1.00 0.00 N ATOM 0 H GLN A 65 20.691 2.198 -10.476 1.00 0.00 H new ATOM 0 HA GLN A 65 22.926 0.651 -9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.199 3.535 -8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.231 2.551 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.525 2.193 -10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.782 3.740 -10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 65 24.135 5.537 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 65 25.673 5.600 -7.976 1.00 0.00 H new ATOM 1003 N GLY A 66 21.128 -0.231 -7.838 1.00 0.00 N ATOM 1004 CA GLY A 66 20.124 -0.722 -6.917 1.00 0.00 C ATOM 1005 C GLY A 66 18.758 -0.765 -7.572 1.00 0.00 C ATOM 1006 O GLY A 66 18.570 -1.451 -8.577 1.00 0.00 O ATOM 0 H GLY A 66 21.813 -0.924 -8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.398 -1.720 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.089 -0.080 -6.037 1.00 0.00 H new ATOM 1010 N SER A 67 17.801 -0.040 -7.008 1.00 0.00 N ATOM 1011 CA SER A 67 16.451 -0.012 -7.555 1.00 0.00 C ATOM 1012 C SER A 67 16.185 1.281 -8.325 1.00 0.00 C ATOM 1013 O SER A 67 15.097 1.466 -8.871 1.00 0.00 O ATOM 1014 CB SER A 67 15.425 -0.157 -6.431 1.00 0.00 C ATOM 1015 OG SER A 67 15.217 1.078 -5.767 1.00 0.00 O ATOM 0 H SER A 67 17.933 0.534 -6.176 1.00 0.00 H new ATOM 0 HA SER A 67 16.358 -0.848 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.481 -0.517 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.768 -0.905 -5.716 1.00 0.00 H new ATOM 0 HG SER A 67 15.134 0.921 -4.803 1.00 0.00 H new ATOM 1021 N VAL A 68 17.174 2.174 -8.373 1.00 0.00 N ATOM 1022 CA VAL A 68 17.019 3.442 -9.081 1.00 0.00 C ATOM 1023 C VAL A 68 17.744 3.431 -10.424 1.00 0.00 C ATOM 1024 O VAL A 68 18.856 2.914 -10.539 1.00 0.00 O ATOM 1025 CB VAL A 68 17.541 4.625 -8.244 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.044 5.943 -8.819 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.121 4.482 -6.789 1.00 0.00 C ATOM 0 H VAL A 68 18.085 2.043 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 68 15.950 3.567 -9.253 1.00 0.00 H new ATOM 0 HB VAL A 68 18.630 4.620 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.422 6.769 -8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.399 6.050 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.954 5.956 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.500 5.328 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.033 4.459 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.528 3.556 -6.382 1.00 0.00 H new ATOM 1037 N LEU A 69 17.102 4.000 -11.437 1.00 0.00 N ATOM 1038 CA LEU A 69 17.675 4.062 -12.774 1.00 0.00 C ATOM 1039 C LEU A 69 18.195 5.471 -13.065 1.00 0.00 C ATOM 1040 O LEU A 69 17.455 6.451 -12.957 1.00 0.00 O ATOM 1041 CB LEU A 69 16.613 3.653 -13.805 1.00 0.00 C ATOM 1042 CG LEU A 69 16.877 4.081 -15.253 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.208 3.532 -15.743 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.741 3.620 -16.158 1.00 0.00 C ATOM 0 H LEU A 69 16.179 4.427 -11.356 1.00 0.00 H new ATOM 0 HA LEU A 69 18.516 3.371 -12.838 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.512 2.568 -13.781 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.655 4.069 -13.494 1.00 0.00 H new ATOM 0 HG LEU A 69 16.926 5.169 -15.286 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.375 3.848 -16.773 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.012 3.911 -15.112 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.192 2.443 -15.696 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.943 3.931 -17.183 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.662 2.534 -16.118 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.804 4.065 -15.822 1.00 0.00 H new ATOM 1056 N THR A 70 19.470 5.571 -13.435 1.00 0.00 N ATOM 1057 CA THR A 70 20.076 6.859 -13.749 1.00 0.00 C ATOM 1058 C THR A 70 20.460 6.892 -15.223 1.00 0.00 C ATOM 1059 O THR A 70 21.160 6.006 -15.708 1.00 0.00 O ATOM 1060 CB THR A 70 21.313 7.094 -12.877 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.067 6.694 -11.540 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.764 8.538 -12.846 1.00 0.00 C ATOM 0 H THR A 70 20.101 4.775 -13.524 1.00 0.00 H new ATOM 0 HA THR A 70 19.356 7.651 -13.545 1.00 0.00 H new ATOM 0 HB THR A 70 22.102 6.495 -13.333 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.869 6.850 -10.999 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.644 8.631 -12.210 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.011 8.864 -13.856 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.962 9.161 -12.449 1.00 0.00 H new ATOM 1070 N SER A 71 19.979 7.896 -15.943 1.00 0.00 N ATOM 1071 CA SER A 71 20.261 8.005 -17.371 1.00 0.00 C ATOM 1072 C SER A 71 20.233 9.456 -17.835 1.00 0.00 C ATOM 1073 O SER A 71 19.544 10.289 -17.247 1.00 0.00 O ATOM 1074 CB SER A 71 19.256 7.174 -18.172 1.00 0.00 C ATOM 1075 OG SER A 71 19.199 7.600 -19.523 1.00 0.00 O ATOM 0 H SER A 71 19.395 8.643 -15.567 1.00 0.00 H new ATOM 0 HA SER A 71 21.265 7.618 -17.545 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.536 6.121 -18.131 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.268 7.258 -17.719 1.00 0.00 H new ATOM 0 HG SER A 71 19.341 6.832 -20.115 1.00 0.00 H new ATOM 1081 N THR A 72 20.964 9.751 -18.908 1.00 0.00 N ATOM 1082 CA THR A 72 20.987 11.097 -19.459 1.00 0.00 C ATOM 1083 C THR A 72 19.949 11.197 -20.573 1.00 0.00 C ATOM 1084 O THR A 72 19.946 10.384 -21.496 1.00 0.00 O ATOM 1085 CB THR A 72 22.381 11.422 -20.001 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.380 11.025 -19.080 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.587 12.892 -20.296 1.00 0.00 C ATOM 0 H THR A 72 21.544 9.078 -19.408 1.00 0.00 H new ATOM 0 HA THR A 72 20.748 11.816 -18.675 1.00 0.00 H new ATOM 0 HB THR A 72 22.461 10.869 -20.937 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.264 11.239 -19.444 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.596 13.049 -20.677 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.863 13.218 -21.043 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.450 13.469 -19.382 1.00 0.00 H new ATOM 1095 N CYS A 73 19.051 12.173 -20.476 1.00 0.00 N ATOM 1096 CA CYS A 73 18.000 12.322 -21.477 1.00 0.00 C ATOM 1097 C CYS A 73 17.988 13.702 -22.120 1.00 0.00 C ATOM 1098 O CYS A 73 18.185 14.719 -21.456 1.00 0.00 O ATOM 1099 CB CYS A 73 16.636 12.037 -20.851 1.00 0.00 C ATOM 1100 SG CYS A 73 16.419 10.315 -20.296 1.00 0.00 S ATOM 0 H CYS A 73 19.029 12.864 -19.726 1.00 0.00 H new ATOM 0 HA CYS A 73 18.211 11.599 -22.265 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.492 12.703 -20.000 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.858 12.275 -21.577 1.00 0.00 H new ATOM 1105 N GLU A 74 17.703 13.718 -23.418 1.00 0.00 N ATOM 1106 CA GLU A 74 17.619 14.958 -24.183 1.00 0.00 C ATOM 1107 C GLU A 74 16.340 15.721 -23.844 1.00 0.00 C ATOM 1108 O GLU A 74 15.267 15.128 -23.736 1.00 0.00 O ATOM 1109 CB GLU A 74 17.660 14.655 -25.682 1.00 0.00 C ATOM 1110 CG GLU A 74 18.104 15.834 -26.534 1.00 0.00 C ATOM 1111 CD GLU A 74 17.800 15.632 -28.005 1.00 0.00 C ATOM 1112 OE1 GLU A 74 18.258 14.618 -28.573 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.102 16.486 -28.590 1.00 0.00 O ATOM 0 H GLU A 74 17.525 12.877 -23.967 1.00 0.00 H new ATOM 0 HA GLU A 74 18.474 15.580 -23.918 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.336 13.818 -25.856 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.669 14.337 -26.006 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.607 16.739 -26.184 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.175 15.989 -26.405 1.00 0.00 H new ATOM 1120 N ARG A 75 16.454 17.035 -23.687 1.00 0.00 N ATOM 1121 CA ARG A 75 15.299 17.867 -23.372 1.00 0.00 C ATOM 1122 C ARG A 75 14.655 18.387 -24.654 1.00 0.00 C ATOM 1123 O ARG A 75 15.347 18.701 -25.622 1.00 0.00 O ATOM 1124 CB ARG A 75 15.717 19.032 -22.474 1.00 0.00 C ATOM 1125 CG ARG A 75 16.685 18.630 -21.374 1.00 0.00 C ATOM 1126 CD ARG A 75 17.153 19.834 -20.572 1.00 0.00 C ATOM 1127 NE ARG A 75 18.426 20.358 -21.061 1.00 0.00 N ATOM 1128 CZ ARG A 75 19.115 21.323 -20.454 1.00 0.00 C ATOM 1129 NH1 ARG A 75 18.658 21.872 -19.335 1.00 0.00 N ATOM 1130 NH2 ARG A 75 20.264 21.740 -20.968 1.00 0.00 N ATOM 0 H ARG A 75 17.333 17.546 -23.772 1.00 0.00 H new ATOM 0 HA ARG A 75 14.566 17.262 -22.838 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.177 19.807 -23.087 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.827 19.470 -22.022 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.203 17.914 -20.708 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.547 18.127 -21.813 1.00 0.00 H new ATOM 0 HD2 ARG A 75 16.397 20.617 -20.620 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.255 19.553 -19.524 1.00 0.00 H new ATOM 0 HE ARG A 75 18.810 19.961 -21.919 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.775 21.555 -18.935 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.190 22.611 -18.875 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.620 21.322 -21.828 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.792 22.479 -20.504 1.00 0.00 H new ATOM 1144 N THR A 76 13.327 18.458 -24.665 1.00 0.00 N ATOM 1145 CA THR A 76 12.592 18.920 -25.842 1.00 0.00 C ATOM 1146 C THR A 76 13.112 20.265 -26.347 1.00 0.00 C ATOM 1147 O THR A 76 13.029 20.560 -27.539 1.00 0.00 O ATOM 1148 CB THR A 76 11.100 19.028 -25.522 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.596 17.789 -25.055 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.261 19.446 -26.710 1.00 0.00 C ATOM 0 H THR A 76 12.737 18.202 -23.874 1.00 0.00 H new ATOM 0 HA THR A 76 12.745 18.185 -26.633 1.00 0.00 H new ATOM 0 HB THR A 76 11.025 19.799 -24.756 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.530 17.810 -24.077 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.214 19.503 -26.414 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.592 20.423 -27.064 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.372 18.714 -27.510 1.00 0.00 H new ATOM 1158 N ASN A 77 13.646 21.080 -25.442 1.00 0.00 N ATOM 1159 CA ASN A 77 14.173 22.389 -25.817 1.00 0.00 C ATOM 1160 C ASN A 77 15.609 22.291 -26.340 1.00 0.00 C ATOM 1161 O ASN A 77 16.237 23.305 -26.643 1.00 0.00 O ATOM 1162 CB ASN A 77 14.112 23.348 -24.627 1.00 0.00 C ATOM 1163 CG ASN A 77 12.694 23.571 -24.136 1.00 0.00 C ATOM 1164 OD1 ASN A 77 12.101 22.700 -23.500 1.00 0.00 O ATOM 1165 ND2 ASN A 77 12.143 24.744 -24.429 1.00 0.00 N ATOM 0 H ASN A 77 13.725 20.859 -24.449 1.00 0.00 H new ATOM 0 HA ASN A 77 13.549 22.777 -26.623 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.717 22.951 -23.812 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.550 24.305 -24.912 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.192 24.951 -24.124 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.671 25.437 -24.959 1.00 0.00 H new ATOM 1172 N GLY A 78 16.121 21.068 -26.450 1.00 0.00 N ATOM 1173 CA GLY A 78 17.472 20.867 -26.942 1.00 0.00 C ATOM 1174 C GLY A 78 18.498 20.802 -25.834 1.00 0.00 C ATOM 1175 O GLY A 78 18.466 21.590 -24.888 1.00 0.00 O ATOM 0 H GLY A 78 15.623 20.212 -26.207 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.509 19.943 -27.519 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.730 21.679 -27.622 1.00 0.00 H new ATOM 1179 N GLY A 79 19.392 19.839 -25.951 1.00 0.00 N ATOM 1180 CA GLY A 79 20.423 19.636 -24.950 1.00 0.00 C ATOM 1181 C GLY A 79 20.272 18.289 -24.273 1.00 0.00 C ATOM 1182 O GLY A 79 19.462 17.474 -24.710 1.00 0.00 O ATOM 0 H GLY A 79 19.425 19.183 -26.731 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.405 19.703 -25.417 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.370 20.429 -24.204 1.00 0.00 H new ATOM 1186 N TYR A 80 21.051 18.043 -23.222 1.00 0.00 N ATOM 1187 CA TYR A 80 20.981 16.766 -22.508 1.00 0.00 C ATOM 1188 C TYR A 80 20.876 16.980 -20.999 1.00 0.00 C ATOM 1189 O TYR A 80 21.467 17.912 -20.450 1.00 0.00 O ATOM 1190 CB TYR A 80 22.211 15.911 -22.826 1.00 0.00 C ATOM 1191 CG TYR A 80 22.484 15.766 -24.307 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.636 15.026 -25.120 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.587 16.375 -24.893 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.877 14.897 -26.474 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.836 16.250 -26.246 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.978 15.511 -27.032 1.00 0.00 C ATOM 1197 OH TYR A 80 23.221 15.386 -28.381 1.00 0.00 O ATOM 0 H TYR A 80 21.733 18.703 -22.847 1.00 0.00 H new ATOM 0 HA TYR A 80 20.084 16.246 -22.844 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.084 16.353 -22.346 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.076 14.920 -22.392 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.773 14.543 -24.686 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.261 16.956 -24.280 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.207 14.318 -27.092 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.698 16.729 -26.686 1.00 0.00 H new ATOM 0 HH TYR A 80 24.035 15.880 -28.614 1.00 0.00 H new ATOM 1207 N ASN A 81 20.111 16.114 -20.336 1.00 0.00 N ATOM 1208 CA ASN A 81 19.916 16.197 -18.892 1.00 0.00 C ATOM 1209 C ASN A 81 19.573 14.820 -18.323 1.00 0.00 C ATOM 1210 O ASN A 81 18.688 14.133 -18.831 1.00 0.00 O ATOM 1211 CB ASN A 81 18.804 17.196 -18.561 1.00 0.00 C ATOM 1212 CG ASN A 81 18.800 17.594 -17.097 1.00 0.00 C ATOM 1213 OD1 ASN A 81 18.313 16.854 -16.243 1.00 0.00 O ATOM 1214 ND2 ASN A 81 19.344 18.769 -16.802 1.00 0.00 N ATOM 0 H ASN A 81 19.614 15.342 -20.781 1.00 0.00 H new ATOM 0 HA ASN A 81 20.844 16.543 -18.437 1.00 0.00 H new ATOM 0 HB2 ASN A 81 18.925 18.087 -19.177 1.00 0.00 H new ATOM 0 HB3 ASN A 81 17.839 16.760 -18.819 1.00 0.00 H new ATOM 0 HD21 ASN A 81 19.370 19.091 -15.834 1.00 0.00 H new ATOM 0 HD22 ASN A 81 19.736 19.350 -17.543 1.00 0.00 H new ATOM 1221 N THR A 82 20.289 14.420 -17.279 1.00 0.00 N ATOM 1222 CA THR A 82 20.077 13.119 -16.646 1.00 0.00 C ATOM 1223 C THR A 82 19.091 13.209 -15.487 1.00 0.00 C ATOM 1224 O THR A 82 19.173 14.113 -14.656 1.00 0.00 O ATOM 1225 CB THR A 82 21.402 12.530 -16.166 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.179 11.418 -15.316 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.256 13.520 -15.412 1.00 0.00 C ATOM 0 H THR A 82 21.026 14.979 -16.849 1.00 0.00 H new ATOM 0 HA THR A 82 19.648 12.458 -17.399 1.00 0.00 H new ATOM 0 HB THR A 82 21.931 12.234 -17.072 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.484 10.845 -15.702 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.182 13.038 -15.099 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.488 14.367 -16.058 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.715 13.872 -14.533 1.00 0.00 H new ATOM 1235 N SER A 83 18.157 12.260 -15.437 1.00 0.00 N ATOM 1236 CA SER A 83 17.148 12.213 -14.386 1.00 0.00 C ATOM 1237 C SER A 83 17.215 10.875 -13.644 1.00 0.00 C ATOM 1238 O SER A 83 17.732 9.887 -14.172 1.00 0.00 O ATOM 1239 CB SER A 83 15.755 12.412 -14.990 1.00 0.00 C ATOM 1240 OG SER A 83 15.371 11.291 -15.766 1.00 0.00 O ATOM 0 H SER A 83 18.081 11.507 -16.121 1.00 0.00 H new ATOM 0 HA SER A 83 17.344 13.015 -13.675 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.029 12.572 -14.193 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.749 13.308 -15.611 1.00 0.00 H new ATOM 0 HG SER A 83 16.133 10.987 -16.302 1.00 0.00 H new ATOM 1246 N SER A 84 16.700 10.847 -12.418 1.00 0.00 N ATOM 1247 CA SER A 84 16.714 9.628 -11.620 1.00 0.00 C ATOM 1248 C SER A 84 15.303 9.232 -11.195 1.00 0.00 C ATOM 1249 O SER A 84 14.465 10.088 -10.912 1.00 0.00 O ATOM 1250 CB SER A 84 17.602 9.810 -10.386 1.00 0.00 C ATOM 1251 OG SER A 84 18.972 9.671 -10.717 1.00 0.00 O ATOM 0 H SER A 84 16.270 11.650 -11.959 1.00 0.00 H new ATOM 0 HA SER A 84 17.122 8.827 -12.237 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.428 10.794 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.332 9.075 -9.628 1.00 0.00 H new ATOM 0 HG SER A 84 19.517 9.793 -9.912 1.00 0.00 H new ATOM 1257 N ILE A 85 15.047 7.925 -11.151 1.00 0.00 N ATOM 1258 CA ILE A 85 13.733 7.416 -10.764 1.00 0.00 C ATOM 1259 C ILE A 85 13.836 6.099 -9.992 1.00 0.00 C ATOM 1260 O ILE A 85 14.685 5.260 -10.291 1.00 0.00 O ATOM 1261 CB ILE A 85 12.838 7.209 -12.002 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.413 6.857 -11.577 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.415 6.125 -12.904 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.464 6.675 -12.742 1.00 0.00 C ATOM 0 H ILE A 85 15.730 7.202 -11.378 1.00 0.00 H new ATOM 0 HA ILE A 85 13.286 8.166 -10.111 1.00 0.00 H new ATOM 0 HB ILE A 85 12.807 8.141 -12.567 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.434 5.940 -10.989 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.031 7.644 -10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.770 5.993 -13.773 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.412 6.418 -13.234 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.477 5.187 -12.352 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.471 6.427 -12.367 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.414 7.599 -13.318 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.823 5.868 -13.381 1.00 0.00 H new ATOM 1276 N ASP A 86 12.949 5.922 -9.009 1.00 0.00 N ATOM 1277 CA ASP A 86 12.920 4.705 -8.192 1.00 0.00 C ATOM 1278 C ASP A 86 11.863 3.727 -8.711 1.00 0.00 C ATOM 1279 O ASP A 86 10.671 4.031 -8.702 1.00 0.00 O ATOM 1280 CB ASP A 86 12.626 5.056 -6.731 1.00 0.00 C ATOM 1281 CG ASP A 86 12.770 3.861 -5.808 1.00 0.00 C ATOM 1282 OD1 ASP A 86 11.857 3.009 -5.793 1.00 0.00 O ATOM 1283 OD2 ASP A 86 13.796 3.779 -5.100 1.00 0.00 O ATOM 0 H ASP A 86 12.238 6.609 -8.759 1.00 0.00 H new ATOM 0 HA ASP A 86 13.898 4.228 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.304 5.846 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.614 5.452 -6.652 1.00 0.00 H new ATOM 1288 N LEU A 87 12.309 2.560 -9.170 1.00 0.00 N ATOM 1289 CA LEU A 87 11.395 1.546 -9.710 1.00 0.00 C ATOM 1290 C LEU A 87 11.047 0.460 -8.689 1.00 0.00 C ATOM 1291 O LEU A 87 10.214 -0.403 -8.964 1.00 0.00 O ATOM 1292 CB LEU A 87 11.993 0.905 -10.962 1.00 0.00 C ATOM 1293 CG LEU A 87 12.715 1.873 -11.899 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.645 1.118 -12.837 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.707 2.697 -12.686 1.00 0.00 C ATOM 0 H LEU A 87 13.293 2.290 -9.181 1.00 0.00 H new ATOM 0 HA LEU A 87 10.469 2.062 -9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.694 0.128 -10.655 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.194 0.413 -11.517 1.00 0.00 H new ATOM 0 HG LEU A 87 13.320 2.552 -11.298 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.149 1.825 -13.496 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.387 0.573 -12.253 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.066 0.414 -13.435 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.235 3.382 -13.349 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.077 2.033 -13.278 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.085 3.267 -11.996 1.00 0.00 H new ATOM 1307 N ASN A 88 11.693 0.478 -7.525 1.00 0.00 N ATOM 1308 CA ASN A 88 11.451 -0.537 -6.495 1.00 0.00 C ATOM 1309 C ASN A 88 9.957 -0.804 -6.298 1.00 0.00 C ATOM 1310 O ASN A 88 9.567 -1.904 -5.908 1.00 0.00 O ATOM 1311 CB ASN A 88 12.071 -0.072 -5.171 1.00 0.00 C ATOM 1312 CG ASN A 88 11.845 -1.050 -4.033 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.009 -2.336 -4.315 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.528 -0.652 -2.912 1.00 0.00 N flip ATOM 0 H ASN A 88 12.387 1.181 -7.269 1.00 0.00 H new ATOM 0 HA ASN A 88 11.913 -1.468 -6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.142 0.074 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.650 0.896 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.413 0.347 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.381 -1.321 -2.156 1.00 0.00 H new ATOM 1321 N SER A 89 9.128 0.196 -6.571 1.00 0.00 N ATOM 1322 CA SER A 89 7.683 0.050 -6.420 1.00 0.00 C ATOM 1323 C SER A 89 7.035 -0.637 -7.627 1.00 0.00 C ATOM 1324 O SER A 89 6.109 -1.432 -7.469 1.00 0.00 O ATOM 1325 CB SER A 89 7.034 1.417 -6.200 1.00 0.00 C ATOM 1326 OG SER A 89 5.811 1.292 -5.496 1.00 0.00 O ATOM 0 H SER A 89 9.429 1.114 -6.897 1.00 0.00 H new ATOM 0 HA SER A 89 7.517 -0.585 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.714 2.061 -5.642 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.856 1.898 -7.162 1.00 0.00 H new ATOM 0 HG SER A 89 5.416 2.179 -5.366 1.00 0.00 H new ATOM 1332 N VAL A 90 7.495 -0.300 -8.830 1.00 0.00 N ATOM 1333 CA VAL A 90 6.922 -0.869 -10.048 1.00 0.00 C ATOM 1334 C VAL A 90 7.304 -2.337 -10.251 1.00 0.00 C ATOM 1335 O VAL A 90 6.434 -3.181 -10.470 1.00 0.00 O ATOM 1336 CB VAL A 90 7.302 -0.047 -11.306 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.129 1.438 -11.042 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.724 -0.338 -11.762 1.00 0.00 C ATOM 0 H VAL A 90 8.257 0.359 -8.987 1.00 0.00 H new ATOM 0 HA VAL A 90 5.841 -0.821 -9.913 1.00 0.00 H new ATOM 0 HB VAL A 90 6.628 -0.347 -12.109 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.400 2.000 -11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.090 1.643 -10.785 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.773 1.738 -10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.952 0.258 -12.646 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.421 -0.084 -10.964 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.819 -1.397 -12.003 1.00 0.00 H new ATOM 1348 N ILE A 91 8.595 -2.641 -10.194 1.00 0.00 N ATOM 1349 CA ILE A 91 9.050 -4.010 -10.382 1.00 0.00 C ATOM 1350 C ILE A 91 8.929 -4.806 -9.085 1.00 0.00 C ATOM 1351 O ILE A 91 9.053 -4.257 -7.990 1.00 0.00 O ATOM 1352 CB ILE A 91 10.500 -4.070 -10.925 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.566 -3.441 -12.324 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.004 -5.508 -10.969 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.288 -2.111 -12.357 1.00 0.00 C ATOM 0 H ILE A 91 9.338 -1.964 -10.021 1.00 0.00 H new ATOM 0 HA ILE A 91 8.402 -4.464 -11.131 1.00 0.00 H new ATOM 0 HB ILE A 91 11.143 -3.504 -10.251 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.066 -4.133 -13.001 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.552 -3.304 -12.700 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.024 -5.525 -11.354 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.988 -5.930 -9.964 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.361 -6.099 -11.621 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.296 -1.726 -13.377 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.776 -1.403 -11.706 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.313 -2.245 -12.012 1.00 0.00 H new ATOM 1367 N GLU A 92 8.658 -6.099 -9.222 1.00 0.00 N ATOM 1368 CA GLU A 92 8.484 -6.980 -8.074 1.00 0.00 C ATOM 1369 C GLU A 92 9.153 -8.322 -8.335 1.00 0.00 C ATOM 1370 O GLU A 92 9.527 -8.618 -9.469 1.00 0.00 O ATOM 1371 CB GLU A 92 6.993 -7.198 -7.817 1.00 0.00 C ATOM 1372 CG GLU A 92 6.661 -7.505 -6.368 1.00 0.00 C ATOM 1373 CD GLU A 92 5.200 -7.263 -6.042 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.711 -6.143 -6.303 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.546 -8.192 -5.525 1.00 0.00 O ATOM 0 H GLU A 92 8.553 -6.563 -10.124 1.00 0.00 H new ATOM 0 HA GLU A 92 8.944 -6.517 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.446 -6.306 -8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.642 -8.019 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.910 -8.544 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.282 -6.888 -5.718 1.00 0.00 H new ATOM 1382 N ASN A 93 9.320 -9.134 -7.293 1.00 0.00 N ATOM 1383 CA ASN A 93 9.957 -10.434 -7.446 1.00 0.00 C ATOM 1384 C ASN A 93 8.928 -11.555 -7.329 1.00 0.00 C ATOM 1385 O ASN A 93 8.541 -11.951 -6.229 1.00 0.00 O ATOM 1386 CB ASN A 93 11.046 -10.607 -6.383 1.00 0.00 C ATOM 1387 CG ASN A 93 11.714 -11.967 -6.441 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.898 -12.537 -7.517 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.085 -12.491 -5.279 1.00 0.00 N ATOM 0 H ASN A 93 9.025 -8.914 -6.342 1.00 0.00 H new ATOM 0 HA ASN A 93 10.410 -10.485 -8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.800 -9.831 -6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.609 -10.464 -5.395 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.543 -13.402 -5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.912 -11.982 -4.412 1.00 0.00 H new ATOM 1396 N VAL A 94 8.507 -12.069 -8.478 1.00 0.00 N ATOM 1397 CA VAL A 94 7.537 -13.157 -8.527 1.00 0.00 C ATOM 1398 C VAL A 94 8.227 -14.495 -8.767 1.00 0.00 C ATOM 1399 O VAL A 94 8.539 -14.844 -9.905 1.00 0.00 O ATOM 1400 CB VAL A 94 6.476 -12.917 -9.618 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.450 -14.041 -9.632 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.799 -11.571 -9.402 1.00 0.00 C ATOM 0 H VAL A 94 8.824 -11.748 -9.393 1.00 0.00 H new ATOM 0 HA VAL A 94 7.038 -13.185 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 94 6.972 -12.905 -10.588 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.711 -13.850 -10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.951 -14.988 -9.832 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.952 -14.091 -8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.051 -11.411 -10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.316 -11.559 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.545 -10.777 -9.448 1.00 0.00 H new ATOM 1412 N ASP A 95 8.462 -15.246 -7.695 1.00 0.00 N ATOM 1413 CA ASP A 95 9.113 -16.549 -7.795 1.00 0.00 C ATOM 1414 C ASP A 95 10.440 -16.460 -8.543 1.00 0.00 C ATOM 1415 O ASP A 95 10.841 -17.403 -9.223 1.00 0.00 O ATOM 1416 CB ASP A 95 8.193 -17.555 -8.486 1.00 0.00 C ATOM 1417 CG ASP A 95 8.651 -18.985 -8.283 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.183 -19.289 -7.193 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.481 -19.802 -9.213 1.00 0.00 O ATOM 0 H ASP A 95 8.211 -14.974 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 95 9.320 -16.889 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.180 -17.442 -8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.155 -17.336 -9.553 1.00 0.00 H new ATOM 1424 N GLY A 96 11.122 -15.325 -8.412 1.00 0.00 N ATOM 1425 CA GLY A 96 12.407 -15.151 -9.075 1.00 0.00 C ATOM 1426 C GLY A 96 12.299 -14.474 -10.429 1.00 0.00 C ATOM 1427 O GLY A 96 13.125 -14.710 -11.311 1.00 0.00 O ATOM 0 H GLY A 96 10.811 -14.525 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.062 -14.561 -8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.878 -16.126 -9.201 1.00 0.00 H new ATOM 1431 N SER A 97 11.283 -13.635 -10.602 1.00 0.00 N ATOM 1432 CA SER A 97 11.089 -12.934 -11.867 1.00 0.00 C ATOM 1433 C SER A 97 10.626 -11.500 -11.637 1.00 0.00 C ATOM 1434 O SER A 97 9.733 -11.246 -10.829 1.00 0.00 O ATOM 1435 CB SER A 97 10.070 -13.675 -12.735 1.00 0.00 C ATOM 1436 OG SER A 97 9.911 -13.038 -13.991 1.00 0.00 O ATOM 0 H SER A 97 10.586 -13.425 -9.888 1.00 0.00 H new ATOM 0 HA SER A 97 12.048 -12.906 -12.384 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.395 -14.705 -12.884 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.110 -13.716 -12.220 1.00 0.00 H new ATOM 0 HG SER A 97 9.256 -13.532 -14.528 1.00 0.00 H new ATOM 1442 N LEU A 98 11.239 -10.563 -12.356 1.00 0.00 N ATOM 1443 CA LEU A 98 10.886 -9.154 -12.229 1.00 0.00 C ATOM 1444 C LEU A 98 9.538 -8.875 -12.879 1.00 0.00 C ATOM 1445 O LEU A 98 9.357 -9.092 -14.077 1.00 0.00 O ATOM 1446 CB LEU A 98 11.954 -8.262 -12.870 1.00 0.00 C ATOM 1447 CG LEU A 98 13.375 -8.449 -12.339 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.299 -7.392 -12.923 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.390 -8.391 -10.819 1.00 0.00 C ATOM 0 H LEU A 98 11.980 -10.754 -13.030 1.00 0.00 H new ATOM 0 HA LEU A 98 10.825 -8.925 -11.165 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.959 -8.447 -13.944 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.666 -7.221 -12.727 1.00 0.00 H new ATOM 0 HG LEU A 98 13.733 -9.431 -12.646 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.308 -7.537 -12.536 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.311 -7.479 -14.009 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.942 -6.401 -12.642 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.410 -8.526 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.014 -7.423 -10.488 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.756 -9.182 -10.418 1.00 0.00 H new ATOM 1461 N LYS A 99 8.591 -8.402 -12.077 1.00 0.00 N ATOM 1462 CA LYS A 99 7.251 -8.100 -12.566 1.00 0.00 C ATOM 1463 C LYS A 99 6.882 -6.648 -12.291 1.00 0.00 C ATOM 1464 O LYS A 99 7.064 -6.150 -11.184 1.00 0.00 O ATOM 1465 CB LYS A 99 6.233 -9.030 -11.906 1.00 0.00 C ATOM 1466 CG LYS A 99 6.159 -10.404 -12.552 1.00 0.00 C ATOM 1467 CD LYS A 99 5.228 -10.403 -13.755 1.00 0.00 C ATOM 1468 CE LYS A 99 4.581 -11.763 -13.959 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.756 -11.809 -15.198 1.00 0.00 N ATOM 0 H LYS A 99 8.727 -8.219 -11.083 1.00 0.00 H new ATOM 0 HA LYS A 99 7.239 -8.257 -13.645 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.488 -9.146 -10.853 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.248 -8.565 -11.946 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.156 -10.716 -12.862 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.810 -11.133 -11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.454 -9.648 -13.617 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.787 -10.127 -14.649 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.355 -12.529 -14.011 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.956 -12.000 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.333 -12.754 -15.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.001 -11.096 -15.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.357 -11.609 -16.023 1.00 0.00 H new ATOM 1483 N TYR A 100 6.365 -5.973 -13.311 1.00 0.00 N ATOM 1484 CA TYR A 100 5.969 -4.575 -13.186 1.00 0.00 C ATOM 1485 C TYR A 100 4.599 -4.462 -12.524 1.00 0.00 C ATOM 1486 O TYR A 100 4.334 -3.521 -11.775 1.00 0.00 O ATOM 1487 CB TYR A 100 5.945 -3.912 -14.566 1.00 0.00 C ATOM 1488 CG TYR A 100 5.607 -2.438 -14.537 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.313 -2.005 -14.273 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.583 -1.480 -14.781 1.00 0.00 C ATOM 1491 CE1 TYR A 100 4.003 -0.658 -14.252 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.280 -0.132 -14.763 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.989 0.274 -14.498 1.00 0.00 C ATOM 1494 OH TYR A 100 4.684 1.615 -14.481 1.00 0.00 O ATOM 0 H TYR A 100 6.210 -6.373 -14.237 1.00 0.00 H new ATOM 0 HA TYR A 100 6.698 -4.062 -12.558 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.920 -4.041 -15.036 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.218 -4.428 -15.193 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.538 -2.732 -14.081 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.595 -1.794 -14.988 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.993 -0.337 -14.044 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.050 0.600 -14.956 1.00 0.00 H new ATOM 0 HH TYR A 100 5.505 2.139 -14.595 1.00 0.00 H new