USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 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 79 LYS NZ :NH3+ 137:sc= 1.49 (180deg=0.632) USER MOD Set 1.2: A 92 TYR OH : rot 171:sc= 0.264 USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 80 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.6!) USER MOD Set 3.1: A 34 ASN : amide:sc= -0.532 K(o=-0.064,f=-6!) USER MOD Set 3.2: A 70 LYS NZ :NH3+ -113:sc= 0.468 (180deg=-0.0686) USER MOD Set 4.1: A 54 LYS NZ :NH3+ -160:sc= 0.749! (180deg=-0.636!) USER MOD Set 4.2: A 88 TYR OH : rot 30:sc= 0.628 USER MOD Set 5.1: A 41 THR OG1 : rot 101:sc= 1.35 USER MOD Set 5.2: A 75 CYS SG : rot 10:sc= -3.78! USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0.841 (180deg=0.772) USER MOD Single : A 8 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.99) USER MOD Single : A 11 ASN : amide:sc= 0.609 K(o=0.61,f=-4.2!) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.14) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0898 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 21 ASN : amide:sc= -0.97 K(o=-0.97,f=-0.08) USER MOD Single : A 27 THR OG1 : rot 124:sc= -1.14! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 37 ASN : amide:sc= -2.47! C(o=-2.5!,f=-9.6!) USER MOD Single : A 40 HIS : no HD1:sc= 0.288 K(o=0.29,f=-3.3!) USER MOD Single : A 44 SER OG : rot 72:sc= 0.286 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot -23:sc= 0.269 USER MOD Single : A 81 MET CE :methyl 177:sc= -1.49 (180deg=-1.55) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc=-0.00286 (180deg=-0.0875) USER MOD Single : A 87 SER OG : rot 138:sc= 1.29 USER MOD Single : A 89 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 16.226 2.091 -6.103 1.00 0.00 N ATOM 65 CA GLU A 5 16.180 0.651 -6.263 1.00 0.00 C ATOM 66 C GLU A 5 15.052 0.072 -5.417 1.00 0.00 C ATOM 67 O GLU A 5 14.997 0.295 -4.204 1.00 0.00 O ATOM 68 CB GLU A 5 17.513 0.045 -5.833 1.00 0.00 C ATOM 69 CG GLU A 5 17.606 -1.455 -6.047 1.00 0.00 C ATOM 70 CD GLU A 5 18.636 -2.095 -5.146 1.00 0.00 C ATOM 71 OE1 GLU A 5 19.818 -2.176 -5.538 1.00 0.00 O ATOM 72 OE2 GLU A 5 18.260 -2.519 -4.033 1.00 0.00 O ATOM 0 HA GLU A 5 15.997 0.412 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.317 0.531 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.676 0.262 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.632 -1.908 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.860 -1.657 -7.088 1.00 0.00 H new ATOM 79 N ILE A 6 14.169 -0.677 -6.055 1.00 0.00 N ATOM 80 CA ILE A 6 12.998 -1.214 -5.382 1.00 0.00 C ATOM 81 C ILE A 6 13.330 -2.499 -4.625 1.00 0.00 C ATOM 82 O ILE A 6 13.885 -3.446 -5.189 1.00 0.00 O ATOM 83 CB ILE A 6 11.854 -1.500 -6.385 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.536 -0.245 -7.207 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.609 -1.982 -5.649 1.00 0.00 C ATOM 86 CD1 ILE A 6 10.490 -0.466 -8.284 1.00 0.00 C ATOM 0 H ILE A 6 14.241 -0.928 -7.041 1.00 0.00 H new ATOM 0 HA ILE A 6 12.670 -0.456 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 6 12.180 -2.286 -7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.191 0.540 -6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.453 0.115 -7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.814 -2.179 -6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.840 -2.897 -5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.281 -1.215 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.319 0.466 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.840 -1.228 -8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.558 -0.795 -7.824 1.00 0.00 H new ATOM 98 N LYS A 7 13.009 -2.511 -3.342 1.00 0.00 N ATOM 99 CA LYS A 7 13.100 -3.712 -2.527 1.00 0.00 C ATOM 100 C LYS A 7 11.705 -4.316 -2.412 1.00 0.00 C ATOM 101 O LYS A 7 10.725 -3.582 -2.267 1.00 0.00 O ATOM 102 CB LYS A 7 13.649 -3.369 -1.139 1.00 0.00 C ATOM 103 CG LYS A 7 15.068 -2.821 -1.144 1.00 0.00 C ATOM 104 CD LYS A 7 16.100 -3.935 -1.054 1.00 0.00 C ATOM 105 CE LYS A 7 17.521 -3.400 -1.173 1.00 0.00 C ATOM 106 NZ LYS A 7 17.795 -2.291 -0.216 1.00 0.00 N ATOM 0 H LYS A 7 12.678 -1.689 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 7 13.779 -4.429 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.991 -2.636 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.620 -4.265 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.233 -2.245 -2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.197 -2.136 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.987 -4.459 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.918 -4.664 -1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.227 -4.211 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.689 -3.047 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.804 -2.042 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.224 -1.461 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.548 -2.595 0.748 1.00 0.00 H new ATOM 120 N GLN A 8 11.601 -5.632 -2.488 1.00 0.00 N ATOM 121 CA GLN A 8 10.291 -6.268 -2.490 1.00 0.00 C ATOM 122 C GLN A 8 10.003 -6.984 -1.179 1.00 0.00 C ATOM 123 O GLN A 8 10.894 -7.552 -0.548 1.00 0.00 O ATOM 124 CB GLN A 8 10.155 -7.257 -3.651 1.00 0.00 C ATOM 125 CG GLN A 8 11.158 -8.397 -3.616 1.00 0.00 C ATOM 126 CD GLN A 8 10.835 -9.490 -4.618 1.00 0.00 C ATOM 127 OE1 GLN A 8 9.668 -9.751 -4.917 1.00 0.00 O ATOM 128 NE2 GLN A 8 11.861 -10.130 -5.149 1.00 0.00 N ATOM 0 H GLN A 8 12.392 -6.273 -2.548 1.00 0.00 H new ATOM 0 HA GLN A 8 9.560 -5.469 -2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.148 -7.673 -3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.269 -6.716 -4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.155 -8.005 -3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.182 -8.824 -2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.812 -9.884 -4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.702 -10.870 -5.833 1.00 0.00 H new ATOM 137 N GLY A 9 8.741 -6.942 -0.791 1.00 0.00 N ATOM 138 CA GLY A 9 8.268 -7.676 0.358 1.00 0.00 C ATOM 139 C GLY A 9 6.897 -8.252 0.080 1.00 0.00 C ATOM 140 O GLY A 9 6.378 -8.092 -1.027 1.00 0.00 O ATOM 0 H GLY A 9 8.020 -6.398 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.966 -8.478 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.225 -7.019 1.227 1.00 0.00 H new ATOM 144 N GLU A 10 6.298 -8.904 1.062 1.00 0.00 N ATOM 145 CA GLU A 10 4.983 -9.492 0.872 1.00 0.00 C ATOM 146 C GLU A 10 3.917 -8.402 0.806 1.00 0.00 C ATOM 147 O GLU A 10 3.676 -7.693 1.788 1.00 0.00 O ATOM 148 CB GLU A 10 4.661 -10.483 1.991 1.00 0.00 C ATOM 149 CG GLU A 10 3.332 -11.194 1.796 1.00 0.00 C ATOM 150 CD GLU A 10 3.022 -12.174 2.904 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.549 -11.736 3.972 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.243 -13.386 2.711 1.00 0.00 O ATOM 0 H GLU A 10 6.697 -9.039 1.991 1.00 0.00 H new ATOM 0 HA GLU A 10 4.988 -10.035 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.457 -11.225 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.646 -9.953 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.534 -10.453 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.345 -11.723 0.843 1.00 0.00 H new ATOM 159 N ASN A 11 3.315 -8.257 -0.374 1.00 0.00 N ATOM 160 CA ASN A 11 2.242 -7.288 -0.611 1.00 0.00 C ATOM 161 C ASN A 11 2.740 -5.850 -0.526 1.00 0.00 C ATOM 162 O ASN A 11 1.939 -4.919 -0.446 1.00 0.00 O ATOM 163 CB ASN A 11 1.078 -7.493 0.368 1.00 0.00 C ATOM 164 CG ASN A 11 0.296 -8.764 0.094 1.00 0.00 C ATOM 165 OD1 ASN A 11 0.585 -9.822 0.652 1.00 0.00 O ATOM 166 ND2 ASN A 11 -0.706 -8.666 -0.764 1.00 0.00 N ATOM 0 H ASN A 11 3.558 -8.810 -1.196 1.00 0.00 H new ATOM 0 HA ASN A 11 1.885 -7.464 -1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.467 -7.523 1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.405 -6.638 0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.271 -9.486 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.913 -7.770 -1.206 1.00 0.00 H new ATOM 173 N LYS A 12 4.054 -5.661 -0.571 1.00 0.00 N ATOM 174 CA LYS A 12 4.618 -4.321 -0.488 1.00 0.00 C ATOM 175 C LYS A 12 5.896 -4.188 -1.307 1.00 0.00 C ATOM 176 O LYS A 12 6.679 -5.129 -1.423 1.00 0.00 O ATOM 177 CB LYS A 12 4.902 -3.929 0.968 1.00 0.00 C ATOM 178 CG LYS A 12 5.916 -4.818 1.674 1.00 0.00 C ATOM 179 CD LYS A 12 6.428 -4.172 2.956 1.00 0.00 C ATOM 180 CE LYS A 12 5.306 -3.894 3.946 1.00 0.00 C ATOM 181 NZ LYS A 12 5.794 -3.157 5.141 1.00 0.00 N ATOM 0 H LYS A 12 4.741 -6.409 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 12 3.872 -3.644 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.261 -2.900 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.966 -3.952 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.458 -5.779 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.754 -5.018 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.167 -4.825 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.936 -3.239 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.524 -3.314 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.856 -4.836 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.035 -3.105 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.613 -3.655 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.076 -2.195 4.864 1.00 0.00 H new ATOM 195 N PHE A 13 6.080 -3.013 -1.885 1.00 0.00 N ATOM 196 CA PHE A 13 7.324 -2.656 -2.545 1.00 0.00 C ATOM 197 C PHE A 13 7.841 -1.362 -1.946 1.00 0.00 C ATOM 198 O PHE A 13 7.104 -0.379 -1.852 1.00 0.00 O ATOM 199 CB PHE A 13 7.121 -2.489 -4.054 1.00 0.00 C ATOM 200 CG PHE A 13 6.763 -3.763 -4.767 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.734 -4.711 -5.042 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.461 -4.009 -5.166 1.00 0.00 C ATOM 203 CE1 PHE A 13 7.413 -5.881 -5.704 1.00 0.00 C ATOM 204 CE2 PHE A 13 5.134 -5.176 -5.827 1.00 0.00 C ATOM 205 CZ PHE A 13 6.111 -6.115 -6.095 1.00 0.00 C ATOM 0 H PHE A 13 5.371 -2.280 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 13 8.048 -3.457 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.334 -1.755 -4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.034 -2.085 -4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.754 -4.534 -4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.692 -3.280 -4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.180 -6.611 -5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.114 -5.355 -6.135 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.856 -7.030 -6.609 1.00 0.00 H new ATOM 215 N TYR A 14 9.090 -1.355 -1.521 1.00 0.00 N ATOM 216 CA TYR A 14 9.632 -0.195 -0.846 1.00 0.00 C ATOM 217 C TYR A 14 11.001 0.176 -1.393 1.00 0.00 C ATOM 218 O TYR A 14 11.889 -0.666 -1.524 1.00 0.00 O ATOM 219 CB TYR A 14 9.690 -0.423 0.674 1.00 0.00 C ATOM 220 CG TYR A 14 10.553 -1.592 1.113 1.00 0.00 C ATOM 221 CD1 TYR A 14 10.094 -2.901 1.007 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.822 -1.384 1.640 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.876 -3.966 1.410 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.610 -2.444 2.045 1.00 0.00 C ATOM 225 CZ TYR A 14 12.132 -3.733 1.927 1.00 0.00 C ATOM 226 OH TYR A 14 12.916 -4.792 2.323 1.00 0.00 O ATOM 0 H TYR A 14 9.742 -2.132 -1.630 1.00 0.00 H new ATOM 0 HA TYR A 14 8.962 0.643 -1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.064 0.484 1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.676 -0.580 1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.110 -3.088 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.199 -0.376 1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.505 -4.976 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.594 -2.265 2.452 1.00 0.00 H new ATOM 0 HH TYR A 14 13.772 -4.456 2.663 1.00 0.00 H new ATOM 236 N ILE A 15 11.149 1.442 -1.738 1.00 0.00 N ATOM 237 CA ILE A 15 12.426 1.976 -2.166 1.00 0.00 C ATOM 238 C ILE A 15 13.190 2.487 -0.955 1.00 0.00 C ATOM 239 O ILE A 15 12.739 3.406 -0.262 1.00 0.00 O ATOM 240 CB ILE A 15 12.258 3.115 -3.195 1.00 0.00 C ATOM 241 CG1 ILE A 15 11.552 2.594 -4.450 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.611 3.721 -3.551 1.00 0.00 C ATOM 243 CD1 ILE A 15 11.326 3.655 -5.509 1.00 0.00 C ATOM 0 H ILE A 15 10.391 2.125 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 15 12.981 1.173 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 15 11.643 3.897 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.144 1.785 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.590 2.168 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.471 4.522 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.077 4.124 -2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.253 2.951 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.822 3.211 -6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.708 4.453 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.286 4.065 -5.824 1.00 0.00 H new ATOM 255 N GLY A 16 14.324 1.867 -0.686 1.00 0.00 N ATOM 256 CA GLY A 16 15.126 2.243 0.454 1.00 0.00 C ATOM 257 C GLY A 16 16.204 1.223 0.738 1.00 0.00 C ATOM 258 O GLY A 16 16.242 0.161 0.112 1.00 0.00 O ATOM 0 H GLY A 16 14.707 1.103 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.584 3.216 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.486 2.350 1.330 1.00 0.00 H new ATOM 262 N ASP A 17 17.075 1.540 1.678 1.00 0.00 N ATOM 263 CA ASP A 17 18.177 0.656 2.024 1.00 0.00 C ATOM 264 C ASP A 17 17.690 -0.502 2.878 1.00 0.00 C ATOM 265 O ASP A 17 17.959 -1.667 2.578 1.00 0.00 O ATOM 266 CB ASP A 17 19.270 1.429 2.768 1.00 0.00 C ATOM 267 CG ASP A 17 20.040 2.367 1.863 1.00 0.00 C ATOM 268 OD1 ASP A 17 21.018 1.920 1.233 1.00 0.00 O ATOM 269 OD2 ASP A 17 19.679 3.561 1.784 1.00 0.00 O ATOM 0 H ASP A 17 17.042 2.405 2.218 1.00 0.00 H new ATOM 0 HA ASP A 17 18.593 0.256 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.818 2.002 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.962 0.722 3.226 1.00 0.00 H new ATOM 274 N ASP A 18 16.943 -0.178 3.918 1.00 0.00 N ATOM 275 CA ASP A 18 16.499 -1.172 4.885 1.00 0.00 C ATOM 276 C ASP A 18 14.980 -1.136 5.004 1.00 0.00 C ATOM 277 O ASP A 18 14.340 -0.210 4.505 1.00 0.00 O ATOM 278 CB ASP A 18 17.141 -0.880 6.247 1.00 0.00 C ATOM 279 CG ASP A 18 17.061 -2.047 7.214 1.00 0.00 C ATOM 280 OD1 ASP A 18 15.989 -2.262 7.811 1.00 0.00 O ATOM 281 OD2 ASP A 18 18.081 -2.748 7.382 1.00 0.00 O ATOM 0 H ASP A 18 16.628 0.772 4.117 1.00 0.00 H new ATOM 0 HA ASP A 18 16.801 -2.164 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.187 -0.613 6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.652 -0.014 6.693 1.00 0.00 H new ATOM 286 N GLU A 19 14.405 -2.136 5.657 1.00 0.00 N ATOM 287 CA GLU A 19 12.977 -2.141 5.944 1.00 0.00 C ATOM 288 C GLU A 19 12.662 -1.048 6.958 1.00 0.00 C ATOM 289 O GLU A 19 11.581 -0.458 6.948 1.00 0.00 O ATOM 290 CB GLU A 19 12.540 -3.500 6.491 1.00 0.00 C ATOM 291 CG GLU A 19 12.725 -4.637 5.505 1.00 0.00 C ATOM 292 CD GLU A 19 12.369 -5.983 6.095 1.00 0.00 C ATOM 293 OE1 GLU A 19 11.179 -6.351 6.073 1.00 0.00 O ATOM 294 OE2 GLU A 19 13.283 -6.684 6.578 1.00 0.00 O ATOM 0 H GLU A 19 14.906 -2.956 5.999 1.00 0.00 H new ATOM 0 HA GLU A 19 12.431 -1.953 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.108 -3.718 7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.490 -3.446 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.107 -4.455 4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.761 -4.655 5.167 1.00 0.00 H new ATOM 301 N ASN A 20 13.634 -0.772 7.817 1.00 0.00 N ATOM 302 CA ASN A 20 13.507 0.283 8.813 1.00 0.00 C ATOM 303 C ASN A 20 13.949 1.624 8.236 1.00 0.00 C ATOM 304 O ASN A 20 14.105 2.604 8.961 1.00 0.00 O ATOM 305 CB ASN A 20 14.339 -0.054 10.055 1.00 0.00 C ATOM 306 CG ASN A 20 13.837 -1.290 10.776 1.00 0.00 C ATOM 307 OD1 ASN A 20 14.261 -2.410 10.487 1.00 0.00 O ATOM 308 ND2 ASN A 20 12.932 -1.097 11.720 1.00 0.00 N ATOM 0 H ASN A 20 14.525 -1.268 7.844 1.00 0.00 H new ATOM 0 HA ASN A 20 12.458 0.357 9.100 1.00 0.00 H new ATOM 0 HB2 ASN A 20 15.378 -0.206 9.762 1.00 0.00 H new ATOM 0 HB3 ASN A 20 14.322 0.794 10.740 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.559 -1.892 12.239 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.607 -0.153 11.929 1.00 0.00 H new ATOM 315 N ASN A 21 14.144 1.658 6.923 1.00 0.00 N ATOM 316 CA ASN A 21 14.545 2.876 6.233 1.00 0.00 C ATOM 317 C ASN A 21 13.996 2.869 4.810 1.00 0.00 C ATOM 318 O ASN A 21 14.737 2.716 3.836 1.00 0.00 O ATOM 319 CB ASN A 21 16.072 3.018 6.220 1.00 0.00 C ATOM 320 CG ASN A 21 16.550 4.318 5.589 1.00 0.00 C ATOM 321 OD1 ASN A 21 17.615 4.364 4.974 1.00 0.00 O ATOM 322 ND2 ASN A 21 15.776 5.383 5.739 1.00 0.00 N ATOM 0 H ASN A 21 14.030 0.849 6.312 1.00 0.00 H new ATOM 0 HA ASN A 21 14.133 3.732 6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.444 2.960 7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.504 2.178 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.057 6.278 5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.899 5.308 6.255 1.00 0.00 H new ATOM 329 N ALA A 22 12.685 2.984 4.706 1.00 0.00 N ATOM 330 CA ALA A 22 12.016 3.021 3.418 1.00 0.00 C ATOM 331 C ALA A 22 11.528 4.429 3.123 1.00 0.00 C ATOM 332 O ALA A 22 10.793 5.018 3.917 1.00 0.00 O ATOM 333 CB ALA A 22 10.856 2.037 3.397 1.00 0.00 C ATOM 0 H ALA A 22 12.057 3.054 5.506 1.00 0.00 H new ATOM 0 HA ALA A 22 12.726 2.731 2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.364 2.076 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.231 1.029 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.141 2.301 4.177 1.00 0.00 H new ATOM 339 N LEU A 23 11.944 4.965 1.986 1.00 0.00 N ATOM 340 CA LEU A 23 11.581 6.321 1.601 1.00 0.00 C ATOM 341 C LEU A 23 10.294 6.314 0.791 1.00 0.00 C ATOM 342 O LEU A 23 9.586 7.316 0.719 1.00 0.00 O ATOM 343 CB LEU A 23 12.705 6.981 0.790 1.00 0.00 C ATOM 344 CG LEU A 23 14.004 7.256 1.557 1.00 0.00 C ATOM 345 CD1 LEU A 23 14.813 5.981 1.756 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.839 8.306 0.837 1.00 0.00 C ATOM 0 H LEU A 23 12.535 4.480 1.311 1.00 0.00 H new ATOM 0 HA LEU A 23 11.426 6.900 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.936 6.342 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.334 7.925 0.390 1.00 0.00 H new ATOM 0 HG LEU A 23 13.732 7.638 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.727 6.212 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.223 5.261 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.068 5.557 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.757 8.488 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.088 7.950 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.271 9.233 0.761 1.00 0.00 H new ATOM 358 N ALA A 24 10.005 5.175 0.182 1.00 0.00 N ATOM 359 CA ALA A 24 8.803 5.018 -0.622 1.00 0.00 C ATOM 360 C ALA A 24 8.263 3.599 -0.507 1.00 0.00 C ATOM 361 O ALA A 24 8.799 2.676 -1.114 1.00 0.00 O ATOM 362 CB ALA A 24 9.098 5.356 -2.073 1.00 0.00 C ATOM 0 H ALA A 24 10.590 4.341 0.230 1.00 0.00 H new ATOM 0 HA ALA A 24 8.043 5.704 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.192 5.235 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.443 6.388 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.871 4.688 -2.452 1.00 0.00 H new ATOM 368 N GLU A 25 7.215 3.431 0.284 1.00 0.00 N ATOM 369 CA GLU A 25 6.623 2.116 0.513 1.00 0.00 C ATOM 370 C GLU A 25 5.180 2.074 0.016 1.00 0.00 C ATOM 371 O GLU A 25 4.335 2.850 0.471 1.00 0.00 O ATOM 372 CB GLU A 25 6.678 1.768 2.005 1.00 0.00 C ATOM 373 CG GLU A 25 6.055 0.425 2.354 1.00 0.00 C ATOM 374 CD GLU A 25 6.032 0.175 3.848 1.00 0.00 C ATOM 375 OE1 GLU A 25 5.329 0.915 4.564 1.00 0.00 O ATOM 376 OE2 GLU A 25 6.718 -0.762 4.312 1.00 0.00 O ATOM 0 H GLU A 25 6.752 4.191 0.782 1.00 0.00 H new ATOM 0 HA GLU A 25 7.198 1.379 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.719 1.768 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.169 2.550 2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.037 0.387 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.614 -0.371 1.863 1.00 0.00 H new ATOM 383 N ILE A 26 4.905 1.173 -0.918 1.00 0.00 N ATOM 384 CA ILE A 26 3.563 1.004 -1.455 1.00 0.00 C ATOM 385 C ILE A 26 3.078 -0.431 -1.243 1.00 0.00 C ATOM 386 O ILE A 26 3.829 -1.387 -1.451 1.00 0.00 O ATOM 387 CB ILE A 26 3.502 1.374 -2.959 1.00 0.00 C ATOM 388 CG1 ILE A 26 2.083 1.186 -3.500 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.501 0.550 -3.765 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.914 1.629 -4.937 1.00 0.00 C ATOM 0 H ILE A 26 5.600 0.544 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 26 2.904 1.684 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 26 3.773 2.425 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.810 0.134 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.388 1.745 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.438 0.829 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.510 0.741 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.270 -0.510 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.883 1.465 -5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.155 2.689 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.583 1.053 -5.576 1.00 0.00 H new ATOM 402 N THR A 27 1.838 -0.575 -0.800 1.00 0.00 N ATOM 403 CA THR A 27 1.262 -1.883 -0.537 1.00 0.00 C ATOM 404 C THR A 27 0.066 -2.142 -1.445 1.00 0.00 C ATOM 405 O THR A 27 -0.554 -1.203 -1.950 1.00 0.00 O ATOM 406 CB THR A 27 0.805 -1.992 0.929 1.00 0.00 C ATOM 407 OG1 THR A 27 -0.125 -0.943 1.219 1.00 0.00 O ATOM 408 CG2 THR A 27 1.989 -1.896 1.882 1.00 0.00 C ATOM 0 H THR A 27 1.208 0.205 -0.614 1.00 0.00 H new ATOM 0 HA THR A 27 2.035 -2.626 -0.735 1.00 0.00 H new ATOM 0 HB THR A 27 0.329 -2.963 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.958 -1.330 1.560 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.636 -1.976 2.910 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.689 -2.705 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.490 -0.938 1.744 1.00 0.00 H new ATOM 416 N TYR A 28 -0.253 -3.412 -1.653 1.00 0.00 N ATOM 417 CA TYR A 28 -1.436 -3.782 -2.413 1.00 0.00 C ATOM 418 C TYR A 28 -1.947 -5.145 -1.966 1.00 0.00 C ATOM 419 O TYR A 28 -1.161 -6.049 -1.669 1.00 0.00 O ATOM 420 CB TYR A 28 -1.155 -3.783 -3.926 1.00 0.00 C ATOM 421 CG TYR A 28 -0.243 -4.896 -4.396 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.138 -4.762 -4.345 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.768 -6.080 -4.902 1.00 0.00 C ATOM 424 CE1 TYR A 28 1.970 -5.775 -4.781 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.056 -7.096 -5.337 1.00 0.00 C ATOM 426 CZ TYR A 28 1.422 -6.941 -5.275 1.00 0.00 C ATOM 427 OH TYR A 28 2.240 -7.954 -5.719 1.00 0.00 O ATOM 0 H TYR A 28 0.291 -4.202 -1.306 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.206 -3.035 -2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.103 -3.859 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.711 -2.826 -4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.569 -3.851 -3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.839 -6.206 -4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.042 -5.655 -4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.369 -8.010 -5.725 1.00 0.00 H new ATOM 0 HH TYR A 28 1.692 -8.703 -6.033 1.00 0.00 H new ATOM 437 N ARG A 29 -3.259 -5.289 -1.916 1.00 0.00 N ATOM 438 CA ARG A 29 -3.878 -6.534 -1.494 1.00 0.00 C ATOM 439 C ARG A 29 -4.906 -6.982 -2.530 1.00 0.00 C ATOM 440 O ARG A 29 -5.489 -6.158 -3.234 1.00 0.00 O ATOM 441 CB ARG A 29 -4.540 -6.350 -0.124 1.00 0.00 C ATOM 442 CG ARG A 29 -5.151 -7.619 0.442 1.00 0.00 C ATOM 443 CD ARG A 29 -5.872 -7.361 1.752 1.00 0.00 C ATOM 444 NE ARG A 29 -6.991 -6.436 1.594 1.00 0.00 N ATOM 445 CZ ARG A 29 -8.269 -6.816 1.552 1.00 0.00 C ATOM 446 NH1 ARG A 29 -8.581 -8.107 1.583 1.00 0.00 N ATOM 447 NH2 ARG A 29 -9.235 -5.911 1.474 1.00 0.00 N ATOM 0 H ARG A 29 -3.921 -4.554 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.112 -7.305 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.798 -5.972 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.317 -5.590 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.850 -8.040 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.368 -8.361 0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.238 -8.305 2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.168 -6.956 2.478 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.783 -5.441 1.511 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.843 -8.809 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.559 -8.396 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.003 -4.918 1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.210 -6.208 1.442 1.00 0.00 H new ATOM 461 N PHE A 30 -5.112 -8.286 -2.636 1.00 0.00 N ATOM 462 CA PHE A 30 -6.091 -8.828 -3.568 1.00 0.00 C ATOM 463 C PHE A 30 -7.478 -8.822 -2.936 1.00 0.00 C ATOM 464 O PHE A 30 -7.813 -9.708 -2.147 1.00 0.00 O ATOM 465 CB PHE A 30 -5.712 -10.257 -3.985 1.00 0.00 C ATOM 466 CG PHE A 30 -4.494 -10.338 -4.864 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.219 -10.218 -4.331 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.627 -10.540 -6.229 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.103 -10.296 -5.143 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.515 -10.618 -7.045 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.251 -10.496 -6.502 1.00 0.00 C ATOM 0 H PHE A 30 -4.615 -8.989 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.101 -8.198 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.540 -10.852 -3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.555 -10.707 -4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.097 -10.062 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.612 -10.638 -6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.116 -10.201 -4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.634 -10.774 -8.107 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.380 -10.557 -7.138 1.00 0.00 H new ATOM 481 N VAL A 31 -8.275 -7.816 -3.268 1.00 0.00 N ATOM 482 CA VAL A 31 -9.624 -7.711 -2.726 1.00 0.00 C ATOM 483 C VAL A 31 -10.567 -8.690 -3.414 1.00 0.00 C ATOM 484 O VAL A 31 -11.422 -9.299 -2.769 1.00 0.00 O ATOM 485 CB VAL A 31 -10.194 -6.282 -2.841 1.00 0.00 C ATOM 486 CG1 VAL A 31 -9.527 -5.361 -1.838 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.035 -5.733 -4.249 1.00 0.00 C ATOM 0 H VAL A 31 -8.014 -7.064 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.550 -7.960 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.260 -6.331 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.942 -4.357 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.705 -5.732 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.454 -5.330 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.447 -4.725 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.977 -5.705 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.567 -6.375 -4.952 1.00 0.00 H new ATOM 497 N ASP A 32 -10.402 -8.851 -4.720 1.00 0.00 N ATOM 498 CA ASP A 32 -11.249 -9.762 -5.473 1.00 0.00 C ATOM 499 C ASP A 32 -10.518 -10.312 -6.689 1.00 0.00 C ATOM 500 O ASP A 32 -10.707 -9.826 -7.799 1.00 0.00 O ATOM 501 CB ASP A 32 -12.539 -9.067 -5.906 1.00 0.00 C ATOM 502 CG ASP A 32 -13.520 -10.025 -6.551 1.00 0.00 C ATOM 503 OD1 ASP A 32 -14.197 -10.771 -5.809 1.00 0.00 O ATOM 504 OD2 ASP A 32 -13.624 -10.028 -7.797 1.00 0.00 O ATOM 0 H ASP A 32 -9.696 -8.367 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.502 -10.596 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.007 -8.601 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.301 -8.268 -6.608 1.00 0.00 H new ATOM 509 N ASN A 33 -9.650 -11.291 -6.432 1.00 0.00 N ATOM 510 CA ASN A 33 -8.921 -12.044 -7.461 1.00 0.00 C ATOM 511 C ASN A 33 -8.248 -11.137 -8.494 1.00 0.00 C ATOM 512 O ASN A 33 -7.076 -10.794 -8.359 1.00 0.00 O ATOM 513 CB ASN A 33 -9.857 -13.040 -8.150 1.00 0.00 C ATOM 514 CG ASN A 33 -9.144 -13.929 -9.149 1.00 0.00 C ATOM 515 OD1 ASN A 33 -7.968 -14.252 -8.986 1.00 0.00 O ATOM 516 ND2 ASN A 33 -9.851 -14.324 -10.195 1.00 0.00 N ATOM 0 H ASN A 33 -9.427 -11.591 -5.483 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.123 -12.587 -6.954 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.335 -13.663 -7.394 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.649 -12.492 -8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.423 -14.919 -10.904 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.824 -14.033 -10.292 1.00 0.00 H new ATOM 523 N ASN A 34 -9.007 -10.726 -9.500 1.00 0.00 N ATOM 524 CA ASN A 34 -8.471 -9.908 -10.588 1.00 0.00 C ATOM 525 C ASN A 34 -8.418 -8.435 -10.189 1.00 0.00 C ATOM 526 O ASN A 34 -8.110 -7.571 -11.005 1.00 0.00 O ATOM 527 CB ASN A 34 -9.317 -10.061 -11.865 1.00 0.00 C ATOM 528 CG ASN A 34 -10.579 -9.195 -11.886 1.00 0.00 C ATOM 529 OD1 ASN A 34 -10.950 -8.661 -12.932 1.00 0.00 O ATOM 530 ND2 ASN A 34 -11.268 -9.071 -10.759 1.00 0.00 N ATOM 0 H ASN A 34 -9.999 -10.944 -9.589 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.459 -10.259 -10.790 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.701 -9.808 -12.728 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.605 -11.107 -11.974 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.128 -8.523 -10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.938 -9.524 -9.907 1.00 0.00 H new ATOM 537 N GLU A 35 -8.723 -8.156 -8.937 1.00 0.00 N ATOM 538 CA GLU A 35 -8.824 -6.792 -8.457 1.00 0.00 C ATOM 539 C GLU A 35 -7.903 -6.588 -7.261 1.00 0.00 C ATOM 540 O GLU A 35 -8.019 -7.291 -6.252 1.00 0.00 O ATOM 541 CB GLU A 35 -10.274 -6.508 -8.074 1.00 0.00 C ATOM 542 CG GLU A 35 -10.598 -5.043 -7.850 1.00 0.00 C ATOM 543 CD GLU A 35 -12.074 -4.834 -7.593 1.00 0.00 C ATOM 544 OE1 GLU A 35 -12.881 -5.067 -8.517 1.00 0.00 O ATOM 545 OE2 GLU A 35 -12.442 -4.467 -6.459 1.00 0.00 O ATOM 0 H GLU A 35 -8.907 -8.865 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.517 -6.101 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.925 -6.893 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.510 -7.061 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.024 -4.668 -7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.294 -4.465 -8.723 1.00 0.00 H new ATOM 552 N ILE A 36 -6.988 -5.633 -7.381 1.00 0.00 N ATOM 553 CA ILE A 36 -6.026 -5.353 -6.325 1.00 0.00 C ATOM 554 C ILE A 36 -6.190 -3.931 -5.794 1.00 0.00 C ATOM 555 O ILE A 36 -6.313 -2.972 -6.563 1.00 0.00 O ATOM 556 CB ILE A 36 -4.562 -5.576 -6.790 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.278 -4.859 -8.118 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.269 -7.063 -6.913 1.00 0.00 C ATOM 559 CD1 ILE A 36 -2.867 -5.070 -8.640 1.00 0.00 C ATOM 0 H ILE A 36 -6.893 -5.038 -8.204 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.234 -6.060 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.902 -5.147 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.988 -5.208 -8.867 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.451 -3.791 -7.988 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.239 -7.205 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.412 -7.543 -5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.946 -7.508 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.743 -4.533 -9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.149 -4.695 -7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.695 -6.134 -8.804 1.00 0.00 H new ATOM 571 N ASN A 37 -6.205 -3.808 -4.476 1.00 0.00 N ATOM 572 CA ASN A 37 -6.351 -2.510 -3.832 1.00 0.00 C ATOM 573 C ASN A 37 -4.999 -2.000 -3.369 1.00 0.00 C ATOM 574 O ASN A 37 -4.145 -2.779 -2.952 1.00 0.00 O ATOM 575 CB ASN A 37 -7.308 -2.581 -2.626 1.00 0.00 C ATOM 576 CG ASN A 37 -6.655 -3.139 -1.369 1.00 0.00 C ATOM 577 OD1 ASN A 37 -6.652 -4.345 -1.136 1.00 0.00 O ATOM 578 ND2 ASN A 37 -6.110 -2.258 -0.540 1.00 0.00 N ATOM 0 H ASN A 37 -6.118 -4.592 -3.830 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.773 -1.825 -4.567 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.690 -1.582 -2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.165 -3.202 -2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.670 -2.575 0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.131 -1.264 -0.766 1.00 0.00 H new ATOM 585 N ILE A 38 -4.804 -0.700 -3.462 1.00 0.00 N ATOM 586 CA ILE A 38 -3.624 -0.062 -2.903 1.00 0.00 C ATOM 587 C ILE A 38 -4.053 0.824 -1.740 1.00 0.00 C ATOM 588 O ILE A 38 -4.665 1.874 -1.940 1.00 0.00 O ATOM 589 CB ILE A 38 -2.837 0.775 -3.952 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.203 -0.126 -5.019 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.758 1.608 -3.278 1.00 0.00 C ATOM 592 CD1 ILE A 38 -3.177 -0.652 -6.050 1.00 0.00 C ATOM 0 H ILE A 38 -5.451 -0.059 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.947 -0.846 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.549 1.442 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.418 0.432 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.723 -0.971 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.221 2.185 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.218 2.287 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.061 0.950 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.646 -1.279 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.949 -1.241 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.639 0.185 -6.574 1.00 0.00 H new ATOM 604 N ASP A 39 -3.771 0.374 -0.526 1.00 0.00 N ATOM 605 CA ASP A 39 -4.222 1.070 0.672 1.00 0.00 C ATOM 606 C ASP A 39 -3.146 1.994 1.227 1.00 0.00 C ATOM 607 O ASP A 39 -3.390 3.179 1.456 1.00 0.00 O ATOM 608 CB ASP A 39 -4.679 0.072 1.754 1.00 0.00 C ATOM 609 CG ASP A 39 -3.812 -1.178 1.851 1.00 0.00 C ATOM 610 OD1 ASP A 39 -2.612 -1.067 2.178 1.00 0.00 O ATOM 611 OD2 ASP A 39 -4.340 -2.286 1.613 1.00 0.00 O ATOM 0 H ASP A 39 -3.231 -0.472 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.075 1.684 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.681 0.576 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.707 -0.226 1.548 1.00 0.00 H new ATOM 616 N HIS A 40 -1.961 1.456 1.436 1.00 0.00 N ATOM 617 CA HIS A 40 -0.871 2.208 2.030 1.00 0.00 C ATOM 618 C HIS A 40 0.150 2.624 0.976 1.00 0.00 C ATOM 619 O HIS A 40 0.661 1.801 0.218 1.00 0.00 O ATOM 620 CB HIS A 40 -0.216 1.363 3.133 1.00 0.00 C ATOM 621 CG HIS A 40 1.078 1.897 3.666 1.00 0.00 C ATOM 622 ND1 HIS A 40 1.157 2.787 4.709 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.356 1.622 3.313 1.00 0.00 C ATOM 624 CE1 HIS A 40 2.425 3.038 4.973 1.00 0.00 C ATOM 625 NE2 HIS A 40 3.179 2.341 4.142 1.00 0.00 N ATOM 0 H HIS A 40 -1.726 0.492 1.201 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.268 3.123 2.470 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.919 1.268 3.961 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.043 0.359 2.745 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.670 0.957 2.522 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.787 3.704 5.742 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.199 2.338 4.120 1.00 0.00 H new ATOM 634 N THR A 41 0.430 3.916 0.927 1.00 0.00 N ATOM 635 CA THR A 41 1.461 4.440 0.051 1.00 0.00 C ATOM 636 C THR A 41 2.176 5.609 0.722 1.00 0.00 C ATOM 637 O THR A 41 1.652 6.723 0.784 1.00 0.00 O ATOM 638 CB THR A 41 0.872 4.890 -1.301 1.00 0.00 C ATOM 639 OG1 THR A 41 0.108 3.823 -1.876 1.00 0.00 O ATOM 640 CG2 THR A 41 1.973 5.300 -2.269 1.00 0.00 C ATOM 0 H THR A 41 -0.046 4.623 1.487 1.00 0.00 H new ATOM 0 HA THR A 41 2.177 3.641 -0.140 1.00 0.00 H new ATOM 0 HB THR A 41 0.229 5.752 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.846 3.985 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.529 5.613 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.542 6.127 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.638 4.454 -2.443 1.00 0.00 H new ATOM 648 N GLY A 42 3.358 5.335 1.251 1.00 0.00 N ATOM 649 CA GLY A 42 4.125 6.352 1.935 1.00 0.00 C ATOM 650 C GLY A 42 5.397 6.684 1.193 1.00 0.00 C ATOM 651 O GLY A 42 6.379 5.947 1.271 1.00 0.00 O ATOM 0 H GLY A 42 3.802 4.418 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.521 7.253 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.369 6.009 2.941 1.00 0.00 H new ATOM 655 N VAL A 43 5.370 7.779 0.453 1.00 0.00 N ATOM 656 CA VAL A 43 6.519 8.205 -0.329 1.00 0.00 C ATOM 657 C VAL A 43 6.986 9.580 0.125 1.00 0.00 C ATOM 658 O VAL A 43 6.186 10.515 0.208 1.00 0.00 O ATOM 659 CB VAL A 43 6.188 8.252 -1.838 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.404 8.677 -2.650 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.664 6.904 -2.316 1.00 0.00 C ATOM 0 H VAL A 43 4.559 8.393 0.377 1.00 0.00 H new ATOM 0 HA VAL A 43 7.313 7.475 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 43 5.406 8.996 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.144 8.702 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.726 9.669 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.214 7.965 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.437 6.959 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.421 6.138 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.759 6.649 -1.765 1.00 0.00 H new ATOM 671 N SER A 44 8.271 9.693 0.433 1.00 0.00 N ATOM 672 CA SER A 44 8.854 10.962 0.826 1.00 0.00 C ATOM 673 C SER A 44 8.941 11.883 -0.385 1.00 0.00 C ATOM 674 O SER A 44 9.441 11.492 -1.443 1.00 0.00 O ATOM 675 CB SER A 44 10.240 10.744 1.427 1.00 0.00 C ATOM 676 OG SER A 44 10.199 9.759 2.450 1.00 0.00 O ATOM 0 H SER A 44 8.930 8.915 0.417 1.00 0.00 H new ATOM 0 HA SER A 44 8.221 11.427 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.935 10.435 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.616 11.682 1.835 1.00 0.00 H new ATOM 0 HG SER A 44 10.068 8.875 2.048 1.00 0.00 H new ATOM 766 N VAL A 52 10.586 8.641 -8.388 1.00 0.00 N ATOM 767 CA VAL A 52 10.339 7.717 -7.289 1.00 0.00 C ATOM 768 C VAL A 52 8.930 7.142 -7.378 1.00 0.00 C ATOM 769 O VAL A 52 8.741 5.925 -7.433 1.00 0.00 O ATOM 770 CB VAL A 52 10.511 8.413 -5.920 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.455 7.400 -4.788 1.00 0.00 C ATOM 772 CG2 VAL A 52 11.808 9.205 -5.872 1.00 0.00 C ATOM 0 HA VAL A 52 11.070 6.913 -7.372 1.00 0.00 H new ATOM 0 HB VAL A 52 9.684 9.112 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.578 7.913 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.492 6.890 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.255 6.670 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.905 9.685 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.651 8.533 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.799 9.966 -6.652 1.00 0.00 H new ATOM 782 N GLY A 53 7.949 8.034 -7.415 1.00 0.00 N ATOM 783 CA GLY A 53 6.562 7.622 -7.445 1.00 0.00 C ATOM 784 C GLY A 53 6.210 6.846 -8.696 1.00 0.00 C ATOM 785 O GLY A 53 5.597 5.783 -8.617 1.00 0.00 O ATOM 0 H GLY A 53 8.093 9.044 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.351 7.008 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.924 8.503 -7.377 1.00 0.00 H new ATOM 789 N LYS A 54 6.617 7.360 -9.850 1.00 0.00 N ATOM 790 CA LYS A 54 6.259 6.742 -11.119 1.00 0.00 C ATOM 791 C LYS A 54 6.929 5.385 -11.308 1.00 0.00 C ATOM 792 O LYS A 54 6.398 4.536 -12.016 1.00 0.00 O ATOM 793 CB LYS A 54 6.587 7.658 -12.298 1.00 0.00 C ATOM 794 CG LYS A 54 5.418 8.529 -12.731 1.00 0.00 C ATOM 795 CD LYS A 54 5.743 9.315 -13.993 1.00 0.00 C ATOM 796 CE LYS A 54 4.515 10.019 -14.547 1.00 0.00 C ATOM 797 NZ LYS A 54 3.472 9.061 -15.006 1.00 0.00 N ATOM 0 H LYS A 54 7.192 8.198 -9.933 1.00 0.00 H new ATOM 0 HA LYS A 54 5.181 6.582 -11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.427 8.298 -12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.909 7.049 -13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.543 7.904 -12.906 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.161 9.219 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.517 10.051 -13.775 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.148 8.641 -14.748 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.095 10.669 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.810 10.658 -15.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.826 9.540 -15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.926 8.258 -15.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.934 8.714 -14.186 1.00 0.00 H new ATOM 811 N LYS A 55 8.083 5.173 -10.685 1.00 0.00 N ATOM 812 CA LYS A 55 8.750 3.878 -10.789 1.00 0.00 C ATOM 813 C LYS A 55 7.935 2.813 -10.061 1.00 0.00 C ATOM 814 O LYS A 55 7.701 1.727 -10.591 1.00 0.00 O ATOM 815 CB LYS A 55 10.176 3.935 -10.230 1.00 0.00 C ATOM 816 CG LYS A 55 10.948 2.636 -10.428 1.00 0.00 C ATOM 817 CD LYS A 55 12.401 2.751 -9.987 1.00 0.00 C ATOM 818 CE LYS A 55 13.177 3.735 -10.850 1.00 0.00 C ATOM 819 NZ LYS A 55 14.634 3.713 -10.546 1.00 0.00 N ATOM 0 H LYS A 55 8.569 5.864 -10.114 1.00 0.00 H new ATOM 0 HA LYS A 55 8.820 3.617 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.717 4.749 -10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.134 4.167 -9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.462 1.839 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.912 2.352 -11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.441 3.071 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.875 1.771 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.022 3.495 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.789 4.741 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.126 4.397 -11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.784 3.967 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.011 2.760 -10.721 1.00 0.00 H new ATOM 833 N LEU A 56 7.488 3.142 -8.854 1.00 0.00 N ATOM 834 CA LEU A 56 6.641 2.238 -8.084 1.00 0.00 C ATOM 835 C LEU A 56 5.294 2.059 -8.768 1.00 0.00 C ATOM 836 O LEU A 56 4.801 0.937 -8.905 1.00 0.00 O ATOM 837 CB LEU A 56 6.432 2.765 -6.663 1.00 0.00 C ATOM 838 CG LEU A 56 7.673 2.744 -5.770 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.358 3.358 -4.418 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.190 1.321 -5.602 1.00 0.00 C ATOM 0 H LEU A 56 7.697 4.025 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 56 7.144 1.273 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.065 3.790 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.651 2.174 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 56 8.453 3.336 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.250 3.337 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.034 4.390 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.563 2.789 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.073 1.328 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.416 0.704 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.451 0.911 -6.578 1.00 0.00 H new ATOM 852 N LEU A 57 4.707 3.170 -9.199 1.00 0.00 N ATOM 853 CA LEU A 57 3.431 3.138 -9.897 1.00 0.00 C ATOM 854 C LEU A 57 3.520 2.289 -11.154 1.00 0.00 C ATOM 855 O LEU A 57 2.686 1.413 -11.367 1.00 0.00 O ATOM 856 CB LEU A 57 2.959 4.551 -10.252 1.00 0.00 C ATOM 857 CG LEU A 57 1.963 5.183 -9.271 1.00 0.00 C ATOM 858 CD1 LEU A 57 2.556 5.285 -7.875 1.00 0.00 C ATOM 859 CD2 LEU A 57 1.534 6.554 -9.771 1.00 0.00 C ATOM 0 H LEU A 57 5.097 4.105 -9.076 1.00 0.00 H new ATOM 0 HA LEU A 57 2.701 2.689 -9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.832 5.199 -10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.500 4.524 -11.241 1.00 0.00 H new ATOM 0 HG LEU A 57 1.086 4.538 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.827 5.737 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.813 4.289 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.453 5.903 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.827 6.993 -9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.408 7.199 -9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.059 6.453 -10.747 1.00 0.00 H new ATOM 871 N LYS A 58 4.540 2.526 -11.976 1.00 0.00 N ATOM 872 CA LYS A 58 4.694 1.788 -13.223 1.00 0.00 C ATOM 873 C LYS A 58 4.818 0.292 -12.954 1.00 0.00 C ATOM 874 O LYS A 58 4.287 -0.516 -13.703 1.00 0.00 O ATOM 875 CB LYS A 58 5.919 2.262 -14.010 1.00 0.00 C ATOM 876 CG LYS A 58 5.930 1.759 -15.445 1.00 0.00 C ATOM 877 CD LYS A 58 7.296 1.894 -16.095 1.00 0.00 C ATOM 878 CE LYS A 58 8.304 0.930 -15.485 1.00 0.00 C ATOM 879 NZ LYS A 58 9.523 0.797 -16.322 1.00 0.00 N ATOM 0 H LYS A 58 5.267 3.220 -11.801 1.00 0.00 H new ATOM 0 HA LYS A 58 3.802 1.978 -13.819 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.944 3.352 -14.012 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.823 1.923 -13.504 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.624 0.713 -15.463 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.196 2.316 -16.028 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.211 1.704 -17.165 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.655 2.917 -15.981 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.583 1.279 -14.491 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.841 -0.049 -15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.183 0.132 -15.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.261 0.440 -17.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.980 1.726 -16.419 1.00 0.00 H new ATOM 893 N ALA A 59 5.513 -0.065 -11.880 1.00 0.00 N ATOM 894 CA ALA A 59 5.698 -1.465 -11.520 1.00 0.00 C ATOM 895 C ALA A 59 4.363 -2.128 -11.186 1.00 0.00 C ATOM 896 O ALA A 59 4.076 -3.241 -11.635 1.00 0.00 O ATOM 897 CB ALA A 59 6.663 -1.588 -10.349 1.00 0.00 C ATOM 0 H ALA A 59 5.958 0.596 -11.243 1.00 0.00 H new ATOM 0 HA ALA A 59 6.124 -1.982 -12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.791 -2.639 -10.092 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.627 -1.162 -10.626 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.263 -1.050 -9.490 1.00 0.00 H new ATOM 903 N VAL A 60 3.545 -1.431 -10.407 1.00 0.00 N ATOM 904 CA VAL A 60 2.241 -1.950 -10.010 1.00 0.00 C ATOM 905 C VAL A 60 1.268 -1.943 -11.192 1.00 0.00 C ATOM 906 O VAL A 60 0.499 -2.888 -11.376 1.00 0.00 O ATOM 907 CB VAL A 60 1.642 -1.142 -8.835 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.264 -1.675 -8.449 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.579 -1.180 -7.636 1.00 0.00 C ATOM 0 H VAL A 60 3.761 -0.505 -10.037 1.00 0.00 H new ATOM 0 HA VAL A 60 2.391 -2.978 -9.679 1.00 0.00 H new ATOM 0 HB VAL A 60 1.526 -0.108 -9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.134 -1.089 -7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.408 -1.598 -9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.349 -2.719 -8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.145 -0.607 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.724 -2.213 -7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.540 -0.747 -7.912 1.00 0.00 H new ATOM 919 N VAL A 61 1.319 -0.888 -11.995 1.00 0.00 N ATOM 920 CA VAL A 61 0.455 -0.776 -13.167 1.00 0.00 C ATOM 921 C VAL A 61 0.863 -1.789 -14.233 1.00 0.00 C ATOM 922 O VAL A 61 0.016 -2.333 -14.933 1.00 0.00 O ATOM 923 CB VAL A 61 0.478 0.653 -13.753 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.369 0.744 -15.013 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.011 1.652 -12.716 1.00 0.00 C ATOM 0 H VAL A 61 1.948 -0.097 -11.858 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.564 -0.991 -12.846 1.00 0.00 H new ATOM 0 HB VAL A 61 1.507 0.893 -14.021 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.333 1.761 -15.403 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.019 0.055 -15.763 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.400 0.481 -14.778 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.009 2.656 -13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.031 1.403 -12.423 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.637 1.615 -11.841 1.00 0.00 H new ATOM 935 N GLU A 62 2.161 -2.046 -14.344 1.00 0.00 N ATOM 936 CA GLU A 62 2.666 -3.093 -15.227 1.00 0.00 C ATOM 937 C GLU A 62 2.093 -4.435 -14.790 1.00 0.00 C ATOM 938 O GLU A 62 1.545 -5.184 -15.598 1.00 0.00 O ATOM 939 CB GLU A 62 4.195 -3.131 -15.184 1.00 0.00 C ATOM 940 CG GLU A 62 4.815 -4.191 -16.078 1.00 0.00 C ATOM 941 CD GLU A 62 6.327 -4.217 -15.982 1.00 0.00 C ATOM 942 OE1 GLU A 62 6.854 -4.818 -15.025 1.00 0.00 O ATOM 943 OE2 GLU A 62 6.997 -3.637 -16.864 1.00 0.00 O ATOM 0 H GLU A 62 2.886 -1.543 -13.832 1.00 0.00 H new ATOM 0 HA GLU A 62 2.357 -2.883 -16.251 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.580 -2.154 -15.476 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.515 -3.305 -14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.420 -5.169 -15.805 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.523 -4.007 -17.112 1.00 0.00 H new ATOM 950 N HIS A 63 2.212 -4.703 -13.494 1.00 0.00 N ATOM 951 CA HIS A 63 1.617 -5.879 -12.866 1.00 0.00 C ATOM 952 C HIS A 63 0.134 -5.990 -13.228 1.00 0.00 C ATOM 953 O HIS A 63 -0.360 -7.067 -13.590 1.00 0.00 O ATOM 954 CB HIS A 63 1.802 -5.761 -11.344 1.00 0.00 C ATOM 955 CG HIS A 63 1.094 -6.796 -10.523 1.00 0.00 C ATOM 956 ND1 HIS A 63 0.212 -6.471 -9.518 1.00 0.00 N ATOM 957 CD2 HIS A 63 1.180 -8.145 -10.516 1.00 0.00 C ATOM 958 CE1 HIS A 63 -0.207 -7.573 -8.928 1.00 0.00 C ATOM 959 NE2 HIS A 63 0.365 -8.608 -9.512 1.00 0.00 N ATOM 0 H HIS A 63 2.727 -4.107 -12.845 1.00 0.00 H new ATOM 0 HA HIS A 63 2.109 -6.782 -13.226 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.868 -5.813 -11.121 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.458 -4.776 -11.030 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.781 -8.749 -11.180 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.903 -7.620 -8.103 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.226 -9.587 -9.261 1.00 0.00 H new ATOM 968 N ALA A 64 -0.564 -4.868 -13.144 1.00 0.00 N ATOM 969 CA ALA A 64 -1.980 -4.820 -13.458 1.00 0.00 C ATOM 970 C ALA A 64 -2.220 -5.023 -14.949 1.00 0.00 C ATOM 971 O ALA A 64 -3.155 -5.706 -15.338 1.00 0.00 O ATOM 972 CB ALA A 64 -2.577 -3.500 -13.000 1.00 0.00 C ATOM 0 H ALA A 64 -0.167 -3.973 -12.858 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.472 -5.633 -12.925 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.640 -3.478 -13.242 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.448 -3.397 -11.923 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.072 -2.677 -13.506 1.00 0.00 H new ATOM 978 N ARG A 65 -1.366 -4.442 -15.778 1.00 0.00 N ATOM 979 CA ARG A 65 -1.527 -4.536 -17.222 1.00 0.00 C ATOM 980 C ARG A 65 -1.293 -5.957 -17.715 1.00 0.00 C ATOM 981 O ARG A 65 -2.029 -6.441 -18.573 1.00 0.00 O ATOM 982 CB ARG A 65 -0.585 -3.565 -17.943 1.00 0.00 C ATOM 983 CG ARG A 65 -1.319 -2.476 -18.713 1.00 0.00 C ATOM 984 CD ARG A 65 -2.204 -3.072 -19.798 1.00 0.00 C ATOM 985 NE ARG A 65 -3.071 -2.076 -20.422 1.00 0.00 N ATOM 986 CZ ARG A 65 -4.353 -2.293 -20.716 1.00 0.00 C ATOM 987 NH1 ARG A 65 -4.903 -3.474 -20.452 1.00 0.00 N ATOM 988 NH2 ARG A 65 -5.079 -1.340 -21.277 1.00 0.00 N ATOM 0 H ARG A 65 -0.555 -3.901 -15.477 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.556 -4.260 -17.453 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.076 -3.101 -17.212 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.046 -4.126 -18.633 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.927 -1.888 -18.026 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.597 -1.795 -19.162 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.577 -3.533 -20.561 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.817 -3.864 -19.368 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.673 -1.164 -20.645 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.344 -4.213 -20.025 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.884 -3.641 -20.676 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.658 -0.435 -21.486 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.060 -1.510 -21.500 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.277 -6.621 -17.165 1.00 0.00 N ATOM 1003 CA GLU A 66 0.042 -7.996 -17.549 1.00 0.00 C ATOM 1004 C GLU A 66 -1.157 -8.910 -17.361 1.00 0.00 C ATOM 1005 O GLU A 66 -1.576 -9.609 -18.286 1.00 0.00 O ATOM 1006 CB GLU A 66 1.199 -8.543 -16.713 1.00 0.00 C ATOM 1007 CG GLU A 66 2.502 -7.792 -16.877 1.00 0.00 C ATOM 1008 CD GLU A 66 3.609 -8.397 -16.047 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.667 -8.115 -14.832 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.418 -9.176 -16.598 1.00 0.00 O ATOM 0 H GLU A 66 0.339 -6.230 -16.453 1.00 0.00 H new ATOM 0 HA GLU A 66 0.324 -7.974 -18.602 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.912 -8.522 -15.662 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.361 -9.588 -16.979 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.793 -7.795 -17.927 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.360 -6.751 -16.588 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.712 -8.888 -16.159 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.755 -9.832 -15.784 1.00 0.00 C ATOM 1019 C ASN A 67 -4.137 -9.192 -15.857 1.00 0.00 C ATOM 1020 O ASN A 67 -5.124 -9.776 -15.415 1.00 0.00 O ATOM 1021 CB ASN A 67 -2.472 -10.354 -14.375 1.00 0.00 C ATOM 1022 CG ASN A 67 -1.127 -11.056 -14.290 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.705 -11.726 -15.231 1.00 0.00 O ATOM 1024 ND2 ASN A 67 -0.432 -10.883 -13.176 1.00 0.00 N ATOM 0 H ASN A 67 -1.458 -8.226 -15.425 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.749 -10.663 -16.489 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.493 -9.524 -13.669 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.261 -11.045 -14.078 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.488 -11.313 -13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.816 -10.320 -12.417 1.00 0.00 H new ATOM 1031 N ASN A 68 -4.194 -7.993 -16.437 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.440 -7.228 -16.566 1.00 0.00 C ATOM 1033 C ASN A 68 -6.153 -7.103 -15.223 1.00 0.00 C ATOM 1034 O ASN A 68 -7.356 -7.350 -15.110 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.369 -7.856 -17.610 1.00 0.00 C ATOM 1036 CG ASN A 68 -6.513 -6.981 -18.841 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -7.362 -6.092 -18.890 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -5.691 -7.231 -19.847 1.00 0.00 N ATOM 0 H ASN A 68 -3.379 -7.523 -16.831 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.175 -6.226 -16.904 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.980 -8.831 -17.902 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.351 -8.024 -17.168 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.748 -6.678 -20.702 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.000 -7.977 -19.768 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.400 -6.707 -14.213 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.924 -6.571 -12.868 1.00 0.00 C ATOM 1047 C LEU A 69 -6.482 -5.171 -12.659 1.00 0.00 C ATOM 1048 O LEU A 69 -5.884 -4.185 -13.089 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.824 -6.856 -11.840 1.00 0.00 C ATOM 1050 CG LEU A 69 -4.146 -8.222 -11.965 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -3.018 -8.347 -10.956 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.153 -9.345 -11.768 1.00 0.00 C ATOM 0 H LEU A 69 -4.412 -6.472 -14.302 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.729 -7.294 -12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.061 -6.082 -11.925 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.253 -6.772 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.730 -8.305 -12.969 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.546 -9.324 -11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.279 -7.566 -11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.418 -8.240 -9.948 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.648 -10.307 -11.861 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.599 -9.264 -10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.934 -9.270 -12.525 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.628 -5.092 -12.005 1.00 0.00 N ATOM 1065 CA LYS A 70 -8.256 -3.815 -11.723 1.00 0.00 C ATOM 1066 C LYS A 70 -7.619 -3.182 -10.496 1.00 0.00 C ATOM 1067 O LYS A 70 -7.300 -3.875 -9.527 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.759 -3.990 -11.504 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.490 -4.556 -12.711 1.00 0.00 C ATOM 1070 CD LYS A 70 -11.993 -4.565 -12.490 1.00 0.00 C ATOM 1071 CE LYS A 70 -12.740 -5.054 -13.721 1.00 0.00 C ATOM 1072 NZ LYS A 70 -12.412 -6.464 -14.058 1.00 0.00 N ATOM 0 H LYS A 70 -8.143 -5.901 -11.659 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.107 -3.159 -12.581 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.919 -4.650 -10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.195 -3.025 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.253 -3.962 -13.594 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.143 -5.570 -12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.232 -5.206 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.329 -3.560 -12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.813 -4.964 -13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.496 -4.414 -14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.895 -6.494 -14.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.820 -6.872 -13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.291 -7.014 -14.144 1.00 0.00 H new ATOM 1086 N ILE A 71 -7.431 -1.874 -10.546 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.773 -1.155 -9.468 1.00 0.00 C ATOM 1088 C ILE A 71 -7.748 -0.237 -8.740 1.00 0.00 C ATOM 1089 O ILE A 71 -8.431 0.576 -9.358 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.590 -0.315 -10.004 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.507 -1.229 -10.582 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -5.016 0.571 -8.907 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -3.324 -0.480 -11.158 1.00 0.00 C ATOM 0 H ILE A 71 -7.726 -1.286 -11.325 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.397 -1.901 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.960 0.330 -10.801 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.155 -1.901 -9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.947 -1.851 -11.362 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.185 1.153 -9.307 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.790 1.247 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.661 -0.051 -8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.598 -1.192 -11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.663 0.171 -11.964 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.859 0.121 -10.377 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.820 -0.386 -7.426 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.569 0.541 -6.589 1.00 0.00 C ATOM 1107 C ILE A 72 -7.653 1.128 -5.522 1.00 0.00 C ATOM 1108 O ILE A 72 -6.937 0.400 -4.834 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.806 -0.115 -5.927 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.420 -1.416 -5.218 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.892 -0.368 -6.960 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.571 -2.072 -4.483 1.00 0.00 C ATOM 0 H ILE A 72 -7.367 -1.143 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.941 1.334 -7.238 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.197 0.574 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.023 -2.116 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.618 -1.209 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.753 -0.829 -6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.192 0.578 -7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.510 -1.034 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.223 -2.988 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.954 -1.390 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.365 -2.311 -5.190 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.654 2.444 -5.399 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.741 3.116 -4.487 1.00 0.00 C ATOM 1126 C ALA A 73 -7.470 3.653 -3.264 1.00 0.00 C ATOM 1127 O ALA A 73 -8.539 4.251 -3.377 1.00 0.00 O ATOM 1128 CB ALA A 73 -6.012 4.242 -5.204 1.00 0.00 C ATOM 0 H ALA A 73 -8.274 3.068 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.012 2.382 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.332 4.736 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.443 3.833 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.737 4.965 -5.578 1.00 0.00 H new ATOM 1134 N SER A 74 -6.887 3.422 -2.096 1.00 0.00 N ATOM 1135 CA SER A 74 -7.419 3.948 -0.850 1.00 0.00 C ATOM 1136 C SER A 74 -6.469 5.008 -0.294 1.00 0.00 C ATOM 1137 O SER A 74 -6.761 5.667 0.708 1.00 0.00 O ATOM 1138 CB SER A 74 -7.613 2.816 0.165 1.00 0.00 C ATOM 1139 OG SER A 74 -8.228 3.290 1.351 1.00 0.00 O ATOM 0 H SER A 74 -6.037 2.868 -1.987 1.00 0.00 H new ATOM 0 HA SER A 74 -8.389 4.406 -1.040 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.226 2.030 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.648 2.371 0.406 1.00 0.00 H new ATOM 0 HG SER A 74 -8.076 4.254 1.435 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.332 5.159 -0.958 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.339 6.152 -0.582 1.00 0.00 C ATOM 1147 C CYS A 75 -4.494 7.409 -1.433 1.00 0.00 C ATOM 1148 O CYS A 75 -4.336 7.369 -2.657 1.00 0.00 O ATOM 1149 CB CYS A 75 -2.938 5.566 -0.746 1.00 0.00 C ATOM 1150 SG CYS A 75 -2.700 4.696 -2.309 1.00 0.00 S ATOM 0 H CYS A 75 -5.073 4.598 -1.770 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.489 6.427 0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.206 6.370 -0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.742 4.879 0.077 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.716 4.918 -3.088 1.00 0.00 H new ATOM 1156 N SER A 76 -4.809 8.519 -0.781 1.00 0.00 N ATOM 1157 CA SER A 76 -5.034 9.789 -1.462 1.00 0.00 C ATOM 1158 C SER A 76 -3.812 10.213 -2.280 1.00 0.00 C ATOM 1159 O SER A 76 -3.951 10.813 -3.352 1.00 0.00 O ATOM 1160 CB SER A 76 -5.387 10.866 -0.432 1.00 0.00 C ATOM 1161 OG SER A 76 -5.552 12.136 -1.036 1.00 0.00 O ATOM 0 H SER A 76 -4.916 8.566 0.232 1.00 0.00 H new ATOM 0 HA SER A 76 -5.864 9.663 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.305 10.587 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.601 10.921 0.321 1.00 0.00 H new ATOM 0 HG SER A 76 -5.778 12.798 -0.349 1.00 0.00 H new ATOM 1167 N PHE A 77 -2.624 9.886 -1.780 1.00 0.00 N ATOM 1168 CA PHE A 77 -1.374 10.236 -2.448 1.00 0.00 C ATOM 1169 C PHE A 77 -1.325 9.636 -3.855 1.00 0.00 C ATOM 1170 O PHE A 77 -1.086 10.341 -4.836 1.00 0.00 O ATOM 1171 CB PHE A 77 -0.187 9.738 -1.618 1.00 0.00 C ATOM 1172 CG PHE A 77 1.153 10.188 -2.125 1.00 0.00 C ATOM 1173 CD1 PHE A 77 1.614 11.464 -1.855 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.952 9.334 -2.868 1.00 0.00 C ATOM 1175 CE1 PHE A 77 2.846 11.883 -2.316 1.00 0.00 C ATOM 1176 CE2 PHE A 77 3.186 9.747 -3.333 1.00 0.00 C ATOM 1177 CZ PHE A 77 3.634 11.024 -3.056 1.00 0.00 C ATOM 0 H PHE A 77 -2.500 9.374 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.318 11.321 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.308 10.081 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.207 8.648 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.003 12.141 -1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.606 8.334 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.193 12.882 -2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.799 9.072 -3.912 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.598 11.350 -3.417 1.00 0.00 H new ATOM 1187 N ALA A 78 -1.574 8.335 -3.945 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.533 7.639 -5.222 1.00 0.00 C ATOM 1189 C ALA A 78 -2.771 7.952 -6.053 1.00 0.00 C ATOM 1190 O ALA A 78 -2.687 8.132 -7.267 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.398 6.141 -5.004 1.00 0.00 C ATOM 0 H ALA A 78 -1.806 7.742 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.661 7.989 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.369 5.634 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.478 5.934 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.250 5.779 -4.429 1.00 0.00 H new ATOM 1197 N LYS A 79 -3.909 8.038 -5.378 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.188 8.312 -6.025 1.00 0.00 C ATOM 1199 C LYS A 79 -5.133 9.592 -6.857 1.00 0.00 C ATOM 1200 O LYS A 79 -5.617 9.628 -7.990 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.279 8.412 -4.957 1.00 0.00 C ATOM 1202 CG LYS A 79 -7.643 8.817 -5.488 1.00 0.00 C ATOM 1203 CD LYS A 79 -8.714 8.677 -4.419 1.00 0.00 C ATOM 1204 CE LYS A 79 -10.048 9.238 -4.877 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.436 8.731 -6.218 1.00 0.00 N ATOM 0 H LYS A 79 -3.973 7.920 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.416 7.493 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.369 7.448 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.967 9.135 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.608 9.849 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.900 8.197 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.832 7.625 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.394 9.194 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.819 8.975 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.993 10.326 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.446 8.482 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.262 9.468 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.872 7.888 -6.447 1.00 0.00 H new ATOM 1219 N HIS A 80 -4.514 10.628 -6.304 1.00 0.00 N ATOM 1220 CA HIS A 80 -4.406 11.914 -6.992 1.00 0.00 C ATOM 1221 C HIS A 80 -3.549 11.811 -8.246 1.00 0.00 C ATOM 1222 O HIS A 80 -3.737 12.569 -9.191 1.00 0.00 O ATOM 1223 CB HIS A 80 -3.843 12.986 -6.059 1.00 0.00 C ATOM 1224 CG HIS A 80 -4.885 13.638 -5.206 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -5.235 13.177 -3.957 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -5.654 14.728 -5.431 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -6.173 13.953 -3.453 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -6.446 14.905 -4.323 1.00 0.00 N ATOM 0 H HIS A 80 -4.079 10.605 -5.382 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.413 12.203 -7.294 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.087 12.536 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.342 13.749 -6.655 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.831 12.362 -3.494 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.647 15.345 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.641 13.830 -2.487 1.00 0.00 H new ATOM 1237 N MET A 81 -2.615 10.870 -8.259 1.00 0.00 N ATOM 1238 CA MET A 81 -1.746 10.683 -9.415 1.00 0.00 C ATOM 1239 C MET A 81 -2.414 9.790 -10.455 1.00 0.00 C ATOM 1240 O MET A 81 -2.160 9.915 -11.653 1.00 0.00 O ATOM 1241 CB MET A 81 -0.403 10.084 -8.995 1.00 0.00 C ATOM 1242 CG MET A 81 0.445 11.020 -8.146 1.00 0.00 C ATOM 1243 SD MET A 81 2.070 10.336 -7.761 1.00 0.00 S ATOM 1244 CE MET A 81 1.618 8.906 -6.784 1.00 0.00 C ATOM 0 H MET A 81 -2.439 10.227 -7.487 1.00 0.00 H new ATOM 0 HA MET A 81 -1.566 11.662 -9.859 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.583 9.165 -8.437 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.158 9.810 -9.888 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.570 11.967 -8.671 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.082 11.238 -7.217 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.516 8.349 -6.517 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.109 9.231 -5.877 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.953 8.265 -7.363 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.277 8.897 -9.987 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.999 7.987 -10.869 1.00 0.00 C ATOM 1256 C LEU A 82 -5.056 8.738 -11.674 1.00 0.00 C ATOM 1257 O LEU A 82 -5.229 8.494 -12.866 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.650 6.862 -10.061 1.00 0.00 C ATOM 1259 CG LEU A 82 -3.678 5.988 -9.262 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -4.434 4.947 -8.454 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -2.674 5.316 -10.188 1.00 0.00 C ATOM 0 H LEU A 82 -3.495 8.783 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.283 7.549 -11.565 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.370 7.301 -9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.211 6.224 -10.743 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.132 6.631 -8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.726 4.337 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.111 5.446 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.008 4.311 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.993 4.700 -9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.204 4.689 -10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.105 6.077 -10.722 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.759 9.657 -11.018 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.761 10.479 -11.694 1.00 0.00 C ATOM 1275 C GLU A 83 -6.095 11.599 -12.490 1.00 0.00 C ATOM 1276 O GLU A 83 -6.704 12.191 -13.387 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.735 11.076 -10.678 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.626 10.050 -10.002 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.523 10.669 -8.952 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -10.509 11.341 -9.320 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -9.243 10.495 -7.750 1.00 0.00 O ATOM 0 H GLU A 83 -5.655 9.852 -10.022 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.313 9.840 -12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.167 11.608 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.362 11.812 -11.180 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.240 9.554 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.006 9.282 -9.540 1.00 0.00 H new ATOM 1288 N LYS A 84 -4.844 11.882 -12.154 1.00 0.00 N ATOM 1289 CA LYS A 84 -4.087 12.939 -12.807 1.00 0.00 C ATOM 1290 C LYS A 84 -3.751 12.550 -14.241 1.00 0.00 C ATOM 1291 O LYS A 84 -3.949 13.334 -15.171 1.00 0.00 O ATOM 1292 CB LYS A 84 -2.801 13.218 -12.023 1.00 0.00 C ATOM 1293 CG LYS A 84 -1.962 14.358 -12.576 1.00 0.00 C ATOM 1294 CD LYS A 84 -0.712 14.573 -11.737 1.00 0.00 C ATOM 1295 CE LYS A 84 0.124 15.741 -12.238 1.00 0.00 C ATOM 1296 NZ LYS A 84 0.615 15.529 -13.624 1.00 0.00 N ATOM 0 H LYS A 84 -4.328 11.388 -11.425 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.697 13.842 -12.829 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.062 13.444 -10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.195 12.312 -12.008 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.680 14.140 -13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.553 15.273 -12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.999 14.752 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.108 13.665 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.471 16.653 -12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.974 15.888 -11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.300 16.273 -13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.075 14.599 -13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.186 15.567 -14.286 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.279 11.327 -14.416 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.785 10.884 -15.708 1.00 0.00 C ATOM 1312 C GLU A 85 -3.704 9.825 -16.315 1.00 0.00 C ATOM 1313 O GLU A 85 -4.356 9.068 -15.600 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.368 10.344 -15.545 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.633 10.131 -16.850 1.00 0.00 C ATOM 1316 CD GLU A 85 0.822 9.792 -16.630 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.548 10.632 -16.052 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.244 8.687 -17.017 1.00 0.00 O ATOM 0 H GLU A 85 -3.228 10.623 -13.679 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.771 11.732 -16.393 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.796 11.036 -14.927 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.411 9.397 -15.006 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.112 9.327 -17.409 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.707 11.032 -17.459 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.743 9.780 -17.642 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.642 8.883 -18.369 1.00 0.00 C ATOM 1327 C ASP A 86 -4.078 7.470 -18.466 1.00 0.00 C ATOM 1328 O ASP A 86 -4.787 6.536 -18.838 1.00 0.00 O ATOM 1329 CB ASP A 86 -4.893 9.424 -19.780 1.00 0.00 C ATOM 1330 CG ASP A 86 -3.614 9.552 -20.586 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -2.909 10.575 -20.431 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -3.301 8.639 -21.374 1.00 0.00 O ATOM 0 H ASP A 86 -3.157 10.359 -18.244 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.578 8.838 -17.812 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.584 8.762 -20.302 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.376 10.399 -19.712 1.00 0.00 H new ATOM 1337 N SER A 87 -2.816 7.311 -18.100 1.00 0.00 N ATOM 1338 CA SER A 87 -2.112 6.046 -18.286 1.00 0.00 C ATOM 1339 C SER A 87 -2.557 4.984 -17.276 1.00 0.00 C ATOM 1340 O SER A 87 -2.173 3.822 -17.381 1.00 0.00 O ATOM 1341 CB SER A 87 -0.607 6.278 -18.160 1.00 0.00 C ATOM 1342 OG SER A 87 -0.207 7.423 -18.895 1.00 0.00 O ATOM 0 H SER A 87 -2.253 8.045 -17.670 1.00 0.00 H new ATOM 0 HA SER A 87 -2.355 5.674 -19.281 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.341 6.404 -17.110 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.069 5.402 -18.522 1.00 0.00 H new ATOM 0 HG SER A 87 0.434 7.943 -18.367 1.00 0.00 H new ATOM 1348 N TYR A 88 -3.371 5.380 -16.305 1.00 0.00 N ATOM 1349 CA TYR A 88 -3.780 4.461 -15.247 1.00 0.00 C ATOM 1350 C TYR A 88 -5.282 4.183 -15.292 1.00 0.00 C ATOM 1351 O TYR A 88 -5.764 3.231 -14.681 1.00 0.00 O ATOM 1352 CB TYR A 88 -3.424 5.046 -13.878 1.00 0.00 C ATOM 1353 CG TYR A 88 -2.038 5.647 -13.795 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.902 4.852 -13.855 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -1.871 7.017 -13.642 1.00 0.00 C ATOM 1356 CE1 TYR A 88 0.363 5.404 -13.764 1.00 0.00 C ATOM 1357 CE2 TYR A 88 -0.613 7.577 -13.554 1.00 0.00 C ATOM 1358 CZ TYR A 88 0.501 6.768 -13.614 1.00 0.00 C ATOM 1359 OH TYR A 88 1.755 7.329 -13.517 1.00 0.00 O ATOM 0 H TYR A 88 -3.758 6.320 -16.227 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.248 3.523 -15.406 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.155 5.813 -13.623 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.512 4.261 -13.127 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.008 3.784 -13.975 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.741 7.655 -13.591 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.237 4.771 -13.810 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.502 8.645 -13.439 1.00 0.00 H new ATOM 0 HH TYR A 88 2.396 6.785 -14.020 1.00 0.00 H new ATOM 1369 N GLN A 89 -6.008 4.994 -16.048 1.00 0.00 N ATOM 1370 CA GLN A 89 -7.470 5.037 -15.953 1.00 0.00 C ATOM 1371 C GLN A 89 -8.153 3.843 -16.627 1.00 0.00 C ATOM 1372 O GLN A 89 -9.364 3.662 -16.493 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.981 6.350 -16.543 1.00 0.00 C ATOM 1374 CG GLN A 89 -7.482 7.573 -15.788 1.00 0.00 C ATOM 1375 CD GLN A 89 -7.911 8.880 -16.424 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -8.961 8.967 -17.055 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -7.096 9.908 -16.260 1.00 0.00 N ATOM 0 H GLN A 89 -5.613 5.634 -16.737 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.728 4.977 -14.896 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.668 6.420 -17.585 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.071 6.345 -16.537 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.852 7.536 -14.763 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.394 7.541 -15.736 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.233 9.795 -15.729 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.331 10.814 -16.665 1.00 0.00 H new ATOM 1386 N ASP A 90 -7.389 3.030 -17.343 1.00 0.00 N ATOM 1387 CA ASP A 90 -7.943 1.836 -17.980 1.00 0.00 C ATOM 1388 C ASP A 90 -8.269 0.774 -16.936 1.00 0.00 C ATOM 1389 O ASP A 90 -9.338 0.159 -16.968 1.00 0.00 O ATOM 1390 CB ASP A 90 -6.953 1.266 -18.997 1.00 0.00 C ATOM 1391 CG ASP A 90 -7.540 0.138 -19.826 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -7.607 -1.008 -19.332 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -7.920 0.389 -20.989 1.00 0.00 O ATOM 0 H ASP A 90 -6.391 3.171 -17.499 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.861 2.122 -18.495 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.623 2.064 -19.662 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.070 0.902 -18.472 1.00 0.00 H new ATOM 1398 N VAL A 91 -7.348 0.575 -16.001 1.00 0.00 N ATOM 1399 CA VAL A 91 -7.490 -0.474 -15.000 1.00 0.00 C ATOM 1400 C VAL A 91 -7.927 0.085 -13.647 1.00 0.00 C ATOM 1401 O VAL A 91 -8.524 -0.628 -12.839 1.00 0.00 O ATOM 1402 CB VAL A 91 -6.179 -1.273 -14.822 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -5.848 -2.050 -16.088 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -5.022 -0.352 -14.450 1.00 0.00 C ATOM 0 H VAL A 91 -6.494 1.127 -15.915 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.267 -1.144 -15.369 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.327 -1.981 -14.007 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.922 -2.606 -15.942 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.657 -2.746 -16.310 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.728 -1.356 -16.920 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.112 -0.941 -14.331 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.876 0.386 -15.239 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.249 0.158 -13.514 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.635 1.355 -13.403 1.00 0.00 N ATOM 1415 CA TYR A 92 -7.986 1.988 -12.142 1.00 0.00 C ATOM 1416 C TYR A 92 -9.472 2.333 -12.095 1.00 0.00 C ATOM 1417 O TYR A 92 -9.989 3.023 -12.972 1.00 0.00 O ATOM 1418 CB TYR A 92 -7.131 3.246 -11.921 1.00 0.00 C ATOM 1419 CG TYR A 92 -7.633 4.152 -10.814 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.676 3.723 -9.491 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -8.074 5.438 -11.101 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.152 4.551 -8.489 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -8.545 6.269 -10.104 1.00 0.00 C ATOM 1424 CZ TYR A 92 -8.582 5.823 -8.801 1.00 0.00 C ATOM 1425 OH TYR A 92 -9.075 6.646 -7.815 1.00 0.00 O ATOM 0 H TYR A 92 -7.155 1.967 -14.063 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.782 1.281 -11.338 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.110 2.942 -11.691 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.093 3.814 -12.851 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.333 2.730 -9.242 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.048 5.793 -12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.186 4.202 -7.468 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.883 7.266 -10.345 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.198 7.550 -8.174 1.00 0.00 H new ATOM 1435 N LEU A 93 -10.148 1.825 -11.072 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.544 2.145 -10.819 1.00 0.00 C ATOM 1437 C LEU A 93 -11.608 3.298 -9.820 1.00 0.00 C ATOM 1438 O LEU A 93 -10.834 4.241 -9.926 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.272 0.911 -10.267 1.00 0.00 C ATOM 1440 CG LEU A 93 -12.222 -0.332 -11.160 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -12.951 -1.488 -10.499 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -12.823 -0.036 -12.525 1.00 0.00 C ATOM 0 H LEU A 93 -9.742 1.179 -10.395 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.034 2.442 -11.746 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.842 0.659 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.316 1.172 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.178 -0.614 -11.299 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.906 -2.364 -11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.478 -1.718 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.992 -1.213 -10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.778 -0.932 -13.144 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -13.862 0.271 -12.406 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.260 0.765 -13.004 1.00 0.00 H new