USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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 47 GLN : amide:sc= 0.322 K(o=-0.91,f=-5.9) USER MOD Set 1.2: A 78 LYS NZ :NH3+ -130:sc= -1.23 (180deg=-4.01!) USER MOD Set 2.1: A 22 TYR OH : rot -140:sc= -0.809 USER MOD Set 2.2: A 41 GLN : amide:sc= -3.5! C(o=-4.3!,f=-4.6!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.56! C(o=-3.6!,f=-9.6!) USER MOD Single : A 19 SER OG : rot 38:sc= 0.138 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0255 K(o=-0.026,f=-1.9!) USER MOD Single : A 27 ASN : amide:sc= -0.917 X(o=-0.92,f=-0.93) USER MOD Single : A 28 SER OG : rot 180:sc= -0.104 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc=-0.000851 (180deg=-0.105) USER MOD Single : A 35 GLN : amide:sc= -3.31! C(o=-3.3!,f=-5!) USER MOD Single : A 36 GLN : amide:sc= 0.247 X(o=0.25,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1) USER MOD Single : A 45 LYS NZ :NH3+ 140:sc= -0.246 (180deg=-1.99!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.72 K(o=-1.7,f=-4.9!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 53 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.38) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.997 X(o=-1,f=-1.4) USER MOD Single : A 66 TYR OH : rot -116:sc= 0.326 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 8:sc= 0.133 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.017 -3.032 -5.089 1.00 0.00 N ATOM 60 CA GLY A 7 -7.266 -2.659 -3.905 1.00 0.00 C ATOM 61 C GLY A 7 -8.047 -1.738 -2.989 1.00 0.00 C ATOM 62 O GLY A 7 -9.175 -1.353 -3.299 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.986 -3.559 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.340 -2.168 -4.205 1.00 0.00 H new ATOM 66 N ILE A 8 -7.447 -1.384 -1.857 1.00 0.00 N ATOM 67 CA ILE A 8 -8.095 -0.502 -0.894 1.00 0.00 C ATOM 68 C ILE A 8 -7.692 0.951 -1.121 1.00 0.00 C ATOM 69 O ILE A 8 -6.582 1.234 -1.571 1.00 0.00 O ATOM 70 CB ILE A 8 -7.749 -0.899 0.554 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.256 -0.694 0.818 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.145 -2.344 0.816 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.934 -0.401 2.267 1.00 0.00 C ATOM 0 H ILE A 8 -6.514 -1.694 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.170 -0.606 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.311 -0.260 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.714 -1.587 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.896 0.129 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.894 -2.610 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.218 -2.461 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.607 -2.999 0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.858 -0.267 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.448 0.509 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.264 -1.234 2.889 1.00 0.00 H new ATOM 85 N GLN A 9 -8.601 1.868 -0.805 1.00 0.00 N ATOM 86 CA GLN A 9 -8.340 3.292 -0.973 1.00 0.00 C ATOM 87 C GLN A 9 -7.994 3.944 0.361 1.00 0.00 C ATOM 88 O GLN A 9 -8.778 3.896 1.309 1.00 0.00 O ATOM 89 CB GLN A 9 -9.554 3.985 -1.593 1.00 0.00 C ATOM 90 CG GLN A 9 -9.456 5.502 -1.591 1.00 0.00 C ATOM 91 CD GLN A 9 -10.508 6.156 -2.464 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.560 6.577 -1.981 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.230 6.247 -3.760 1.00 0.00 N ATOM 0 H GLN A 9 -9.525 1.650 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.487 3.402 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.675 3.638 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.450 3.686 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.559 5.868 -0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.466 5.799 -1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.346 5.885 -4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.900 6.679 -4.396 1.00 0.00 H new ATOM 102 N VAL A 10 -6.814 4.552 0.429 1.00 0.00 N ATOM 103 CA VAL A 10 -6.364 5.215 1.648 1.00 0.00 C ATOM 104 C VAL A 10 -6.120 6.700 1.408 1.00 0.00 C ATOM 105 O VAL A 10 -5.759 7.111 0.305 1.00 0.00 O ATOM 106 CB VAL A 10 -5.073 4.575 2.190 1.00 0.00 C ATOM 107 CG1 VAL A 10 -5.296 3.103 2.502 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.934 4.751 1.198 1.00 0.00 C ATOM 0 H VAL A 10 -6.152 4.599 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.158 5.095 2.385 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.799 5.080 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.372 2.668 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.081 3.005 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.595 2.580 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.029 4.293 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.196 4.273 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.759 5.814 1.030 1.00 0.00 H new ATOM 118 N PHE A 11 -6.320 7.503 2.448 1.00 0.00 N ATOM 119 CA PHE A 11 -6.122 8.944 2.351 1.00 0.00 C ATOM 120 C PHE A 11 -4.800 9.356 2.993 1.00 0.00 C ATOM 121 O PHE A 11 -4.665 9.358 4.216 1.00 0.00 O ATOM 122 CB PHE A 11 -7.281 9.686 3.021 1.00 0.00 C ATOM 123 CG PHE A 11 -8.614 9.414 2.385 1.00 0.00 C ATOM 124 CD1 PHE A 11 -9.027 10.134 1.276 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.455 8.439 2.898 1.00 0.00 C ATOM 126 CE1 PHE A 11 -10.253 9.886 0.688 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.682 8.187 2.314 1.00 0.00 C ATOM 128 CZ PHE A 11 -11.082 8.912 1.209 1.00 0.00 C ATOM 0 H PHE A 11 -6.619 7.180 3.368 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.091 9.211 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.324 9.402 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.083 10.757 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.383 10.898 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.148 7.870 3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.562 10.453 -0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.328 7.423 2.722 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.042 8.718 0.753 1.00 0.00 H new ATOM 138 N VAL A 12 -3.827 9.705 2.157 1.00 0.00 N ATOM 139 CA VAL A 12 -2.516 10.120 2.642 1.00 0.00 C ATOM 140 C VAL A 12 -2.443 11.635 2.801 1.00 0.00 C ATOM 141 O VAL A 12 -2.514 12.377 1.821 1.00 0.00 O ATOM 142 CB VAL A 12 -1.395 9.660 1.691 1.00 0.00 C ATOM 143 CG1 VAL A 12 -0.032 10.047 2.245 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.478 8.159 1.457 1.00 0.00 C ATOM 0 H VAL A 12 -3.922 9.709 1.141 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.374 9.648 3.614 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.527 10.162 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.747 9.714 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.021 11.130 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.113 9.575 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.679 7.851 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.373 7.636 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.442 7.913 1.013 1.00 0.00 H new ATOM 154 N LYS A 13 -2.299 12.087 4.041 1.00 0.00 N ATOM 155 CA LYS A 13 -2.214 13.514 4.331 1.00 0.00 C ATOM 156 C LYS A 13 -0.763 13.984 4.326 1.00 0.00 C ATOM 157 O LYS A 13 0.048 13.535 5.135 1.00 0.00 O ATOM 158 CB LYS A 13 -2.855 13.820 5.686 1.00 0.00 C ATOM 159 CG LYS A 13 -2.402 15.138 6.290 1.00 0.00 C ATOM 160 CD LYS A 13 -2.910 15.303 7.713 1.00 0.00 C ATOM 161 CE LYS A 13 -4.307 15.903 7.739 1.00 0.00 C ATOM 162 NZ LYS A 13 -4.686 16.366 9.103 1.00 0.00 N ATOM 0 H LYS A 13 -2.239 11.486 4.863 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.755 14.050 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.939 13.837 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.621 13.013 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.313 15.187 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.762 15.964 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.920 14.334 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.227 15.943 8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.355 16.742 7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.027 15.161 7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.645 16.768 9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.665 15.561 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.014 17.092 9.422 1.00 0.00 H new ATOM 176 N ASN A 14 -0.443 14.893 3.409 1.00 0.00 N ATOM 177 CA ASN A 14 0.911 15.424 3.300 1.00 0.00 C ATOM 178 C ASN A 14 1.226 16.354 4.469 1.00 0.00 C ATOM 179 O ASN A 14 0.333 16.884 5.130 1.00 0.00 O ATOM 180 CB ASN A 14 1.081 16.174 1.977 1.00 0.00 C ATOM 181 CG ASN A 14 -0.193 16.868 1.537 1.00 0.00 C ATOM 182 OD1 ASN A 14 -0.439 18.021 1.891 1.00 0.00 O ATOM 183 ND2 ASN A 14 -1.012 16.166 0.762 1.00 0.00 N ATOM 0 H ASN A 14 -1.102 15.276 2.732 1.00 0.00 H new ATOM 0 HA ASN A 14 1.607 14.586 3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.876 16.912 2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.395 15.473 1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.885 16.580 0.436 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.768 15.213 0.493 1.00 0.00 H new ATOM 190 N PRO A 15 2.526 16.557 4.729 1.00 0.00 N ATOM 191 CA PRO A 15 2.989 17.423 5.817 1.00 0.00 C ATOM 192 C PRO A 15 2.713 18.898 5.542 1.00 0.00 C ATOM 193 O PRO A 15 2.668 19.713 6.463 1.00 0.00 O ATOM 194 CB PRO A 15 4.497 17.161 5.861 1.00 0.00 C ATOM 195 CG PRO A 15 4.844 16.710 4.485 1.00 0.00 C ATOM 196 CD PRO A 15 3.643 15.957 3.981 1.00 0.00 C ATOM 0 HA PRO A 15 2.477 17.208 6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.047 18.062 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.745 16.400 6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.070 17.560 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.728 16.073 4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.516 16.076 2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.728 14.888 4.175 1.00 0.00 H new ATOM 204 N ASP A 16 2.528 19.233 4.269 1.00 0.00 N ATOM 205 CA ASP A 16 2.255 20.609 3.873 1.00 0.00 C ATOM 206 C ASP A 16 0.784 20.954 4.088 1.00 0.00 C ATOM 207 O ASP A 16 0.451 22.058 4.516 1.00 0.00 O ATOM 208 CB ASP A 16 2.634 20.825 2.407 1.00 0.00 C ATOM 209 CG ASP A 16 2.955 22.275 2.100 1.00 0.00 C ATOM 210 OD1 ASP A 16 4.066 22.724 2.451 1.00 0.00 O ATOM 211 OD2 ASP A 16 2.095 22.960 1.508 1.00 0.00 O ATOM 0 H ASP A 16 2.562 18.570 3.495 1.00 0.00 H new ATOM 0 HA ASP A 16 2.859 21.268 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.497 20.205 2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.813 20.495 1.770 1.00 0.00 H new ATOM 216 N GLY A 17 -0.092 20.001 3.786 1.00 0.00 N ATOM 217 CA GLY A 17 -1.517 20.224 3.951 1.00 0.00 C ATOM 218 C GLY A 17 -2.336 19.584 2.847 1.00 0.00 C ATOM 219 O GLY A 17 -2.061 19.784 1.665 1.00 0.00 O ATOM 0 H GLY A 17 0.159 19.079 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.835 19.824 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.714 21.296 3.971 1.00 0.00 H new ATOM 223 N GLY A 18 -3.345 18.810 3.234 1.00 0.00 N ATOM 224 CA GLY A 18 -4.190 18.149 2.257 1.00 0.00 C ATOM 225 C GLY A 18 -4.189 16.641 2.415 1.00 0.00 C ATOM 226 O GLY A 18 -3.472 16.099 3.256 1.00 0.00 O ATOM 0 H GLY A 18 -3.592 18.629 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.210 18.521 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.850 18.406 1.254 1.00 0.00 H new ATOM 230 N SER A 19 -4.997 15.962 1.607 1.00 0.00 N ATOM 231 CA SER A 19 -5.092 14.508 1.666 1.00 0.00 C ATOM 232 C SER A 19 -5.514 13.937 0.316 1.00 0.00 C ATOM 233 O SER A 19 -6.586 14.257 -0.199 1.00 0.00 O ATOM 234 CB SER A 19 -6.088 14.084 2.746 1.00 0.00 C ATOM 235 OG SER A 19 -7.317 14.776 2.607 1.00 0.00 O ATOM 0 H SER A 19 -5.595 16.395 0.904 1.00 0.00 H new ATOM 0 HA SER A 19 -4.107 14.114 1.916 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.263 13.010 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.666 14.280 3.732 1.00 0.00 H new ATOM 0 HG SER A 19 -7.528 14.881 1.656 1.00 0.00 H new ATOM 241 N TYR A 20 -4.664 13.089 -0.252 1.00 0.00 N ATOM 242 CA TYR A 20 -4.946 12.474 -1.544 1.00 0.00 C ATOM 243 C TYR A 20 -5.399 11.027 -1.371 1.00 0.00 C ATOM 244 O TYR A 20 -5.145 10.405 -0.340 1.00 0.00 O ATOM 245 CB TYR A 20 -3.708 12.529 -2.440 1.00 0.00 C ATOM 246 CG TYR A 20 -3.075 13.900 -2.515 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.854 15.038 -2.689 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.699 14.058 -2.412 1.00 0.00 C ATOM 249 CE1 TYR A 20 -3.280 16.292 -2.759 1.00 0.00 C ATOM 250 CE2 TYR A 20 -1.116 15.309 -2.480 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.911 16.423 -2.653 1.00 0.00 C ATOM 252 OH TYR A 20 -1.336 17.671 -2.721 1.00 0.00 O ATOM 0 H TYR A 20 -3.774 12.812 0.162 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.753 13.034 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.970 11.817 -2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.983 12.210 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.926 14.940 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.074 13.188 -2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.900 17.166 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.044 15.414 -2.398 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.364 17.589 -2.628 1.00 0.00 H new ATOM 262 N ALA A 21 -6.070 10.498 -2.389 1.00 0.00 N ATOM 263 CA ALA A 21 -6.556 9.124 -2.352 1.00 0.00 C ATOM 264 C ALA A 21 -5.692 8.213 -3.218 1.00 0.00 C ATOM 265 O ALA A 21 -5.698 8.319 -4.444 1.00 0.00 O ATOM 266 CB ALA A 21 -8.007 9.066 -2.804 1.00 0.00 C ATOM 0 H ALA A 21 -6.289 11.000 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.493 8.769 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.357 8.034 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.619 9.678 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.086 9.444 -3.823 1.00 0.00 H new ATOM 272 N TYR A 22 -4.951 7.320 -2.572 1.00 0.00 N ATOM 273 CA TYR A 22 -4.080 6.392 -3.284 1.00 0.00 C ATOM 274 C TYR A 22 -4.714 5.007 -3.371 1.00 0.00 C ATOM 275 O TYR A 22 -5.613 4.674 -2.599 1.00 0.00 O ATOM 276 CB TYR A 22 -2.721 6.300 -2.588 1.00 0.00 C ATOM 277 CG TYR A 22 -1.833 7.499 -2.832 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.975 8.658 -2.078 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.852 7.473 -3.815 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.166 9.756 -2.298 1.00 0.00 C ATOM 281 CE2 TYR A 22 -0.038 8.567 -4.041 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.200 9.705 -3.280 1.00 0.00 C ATOM 283 OH TYR A 22 0.609 10.797 -3.501 1.00 0.00 O ATOM 0 H TYR A 22 -4.936 7.219 -1.557 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.938 6.771 -4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.879 6.187 -1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.207 5.402 -2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.730 8.701 -1.307 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.723 6.583 -4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.290 10.649 -1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.720 8.530 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 22 0.745 10.914 -4.464 1.00 0.00 H new ATOM 293 N ALA A 23 -4.239 4.204 -4.318 1.00 0.00 N ATOM 294 CA ALA A 23 -4.756 2.855 -4.506 1.00 0.00 C ATOM 295 C ALA A 23 -3.657 1.815 -4.320 1.00 0.00 C ATOM 296 O ALA A 23 -2.710 1.752 -5.105 1.00 0.00 O ATOM 297 CB ALA A 23 -5.387 2.719 -5.884 1.00 0.00 C ATOM 0 H ALA A 23 -3.497 4.465 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.520 2.677 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.769 1.706 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.207 3.431 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.638 2.923 -6.649 1.00 0.00 H new ATOM 303 N ILE A 24 -3.788 1.001 -3.278 1.00 0.00 N ATOM 304 CA ILE A 24 -2.806 -0.037 -2.991 1.00 0.00 C ATOM 305 C ILE A 24 -3.473 -1.283 -2.419 1.00 0.00 C ATOM 306 O ILE A 24 -4.111 -1.231 -1.369 1.00 0.00 O ATOM 307 CB ILE A 24 -1.736 0.460 -2.000 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.706 -0.640 -1.734 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.387 0.910 -0.700 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.644 -0.112 -1.303 1.00 0.00 C ATOM 0 H ILE A 24 -4.565 1.040 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.326 -0.288 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.222 1.314 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.090 -1.307 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.582 -1.237 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.619 1.258 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.086 1.721 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.924 0.073 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.324 -0.947 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.049 0.532 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.534 0.460 -0.382 1.00 0.00 H new ATOM 322 N ASN A 25 -3.319 -2.403 -3.117 1.00 0.00 N ATOM 323 CA ASN A 25 -3.906 -3.664 -2.679 1.00 0.00 C ATOM 324 C ASN A 25 -3.502 -3.981 -1.242 1.00 0.00 C ATOM 325 O ASN A 25 -2.390 -3.687 -0.804 1.00 0.00 O ATOM 326 CB ASN A 25 -3.472 -4.802 -3.605 1.00 0.00 C ATOM 327 CG ASN A 25 -4.137 -4.725 -4.966 1.00 0.00 C ATOM 328 OD1 ASN A 25 -4.543 -3.652 -5.411 1.00 0.00 O ATOM 329 ND2 ASN A 25 -4.251 -5.868 -5.634 1.00 0.00 N ATOM 0 H ASN A 25 -2.793 -2.463 -3.989 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.991 -3.565 -2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.390 -4.772 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.713 -5.758 -3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.690 -5.879 -6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.900 -6.734 -5.226 1.00 0.00 H new ATOM 336 N PRO A 26 -4.427 -4.595 -0.489 1.00 0.00 N ATOM 337 CA PRO A 26 -4.191 -4.967 0.909 1.00 0.00 C ATOM 338 C PRO A 26 -3.184 -6.104 1.044 1.00 0.00 C ATOM 339 O PRO A 26 -2.687 -6.378 2.136 1.00 0.00 O ATOM 340 CB PRO A 26 -5.572 -5.415 1.395 1.00 0.00 C ATOM 341 CG PRO A 26 -6.283 -5.855 0.162 1.00 0.00 C ATOM 342 CD PRO A 26 -5.775 -4.975 -0.946 1.00 0.00 C ATOM 0 HA PRO A 26 -3.768 -4.143 1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.493 -6.227 2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.102 -4.600 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.082 -6.905 -0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.362 -5.754 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.742 -5.506 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.412 -4.102 -1.090 1.00 0.00 H new ATOM 350 N ASN A 27 -2.887 -6.761 -0.072 1.00 0.00 N ATOM 351 CA ASN A 27 -1.938 -7.869 -0.077 1.00 0.00 C ATOM 352 C ASN A 27 -0.573 -7.414 -0.584 1.00 0.00 C ATOM 353 O ASN A 27 0.240 -8.228 -1.022 1.00 0.00 O ATOM 354 CB ASN A 27 -2.463 -9.013 -0.947 1.00 0.00 C ATOM 355 CG ASN A 27 -1.505 -10.188 -0.997 1.00 0.00 C ATOM 356 OD1 ASN A 27 -0.988 -10.536 -2.058 1.00 0.00 O ATOM 357 ND2 ASN A 27 -1.265 -10.805 0.155 1.00 0.00 N ATOM 0 H ASN A 27 -3.289 -6.546 -0.984 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.825 -8.223 0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.425 -9.348 -0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.637 -8.646 -1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.629 -11.602 0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.716 -10.481 1.011 1.00 0.00 H new ATOM 364 N SER A 28 -0.329 -6.109 -0.520 1.00 0.00 N ATOM 365 CA SER A 28 0.936 -5.545 -0.976 1.00 0.00 C ATOM 366 C SER A 28 1.767 -5.052 0.204 1.00 0.00 C ATOM 367 O SER A 28 1.353 -5.161 1.359 1.00 0.00 O ATOM 368 CB SER A 28 0.683 -4.395 -1.953 1.00 0.00 C ATOM 369 OG SER A 28 -0.008 -4.846 -3.104 1.00 0.00 O ATOM 0 H SER A 28 -0.990 -5.423 -0.157 1.00 0.00 H new ATOM 0 HA SER A 28 1.493 -6.330 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.103 -3.615 -1.459 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.633 -3.948 -2.247 1.00 0.00 H new ATOM 0 HG SER A 28 -0.159 -4.092 -3.711 1.00 0.00 H new ATOM 375 N PHE A 29 2.942 -4.508 -0.094 1.00 0.00 N ATOM 376 CA PHE A 29 3.834 -3.998 0.941 1.00 0.00 C ATOM 377 C PHE A 29 3.659 -2.492 1.117 1.00 0.00 C ATOM 378 O PHE A 29 3.334 -1.780 0.166 1.00 0.00 O ATOM 379 CB PHE A 29 5.289 -4.316 0.593 1.00 0.00 C ATOM 380 CG PHE A 29 5.539 -5.775 0.337 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.240 -6.337 -0.894 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.072 -6.585 1.327 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.469 -7.679 -1.133 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.303 -7.927 1.094 1.00 0.00 C ATOM 385 CZ PHE A 29 6.000 -8.475 -0.137 1.00 0.00 C ATOM 0 H PHE A 29 3.299 -4.409 -1.044 1.00 0.00 H new ATOM 0 HA PHE A 29 3.577 -4.488 1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.576 -3.746 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.930 -3.983 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.823 -5.719 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.310 -6.162 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.233 -8.105 -2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.720 -8.547 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.178 -9.524 -0.321 1.00 0.00 H new ATOM 395 N ILE A 30 3.876 -2.016 2.338 1.00 0.00 N ATOM 396 CA ILE A 30 3.743 -0.595 2.638 1.00 0.00 C ATOM 397 C ILE A 30 4.634 0.244 1.729 1.00 0.00 C ATOM 398 O ILE A 30 4.157 1.129 1.017 1.00 0.00 O ATOM 399 CB ILE A 30 4.097 -0.295 4.106 1.00 0.00 C ATOM 400 CG1 ILE A 30 2.999 -0.817 5.035 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.301 1.199 4.306 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.713 -0.024 4.957 1.00 0.00 C ATOM 0 H ILE A 30 4.145 -2.593 3.135 1.00 0.00 H new ATOM 0 HA ILE A 30 2.700 -0.331 2.463 1.00 0.00 H new ATOM 0 HB ILE A 30 5.028 -0.806 4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.790 -1.858 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.365 -0.800 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.551 1.396 5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.114 1.544 3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.385 1.729 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.980 -0.451 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.907 1.012 5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.324 -0.062 3.940 1.00 0.00 H new ATOM 414 N LEU A 31 5.932 -0.039 1.757 1.00 0.00 N ATOM 415 CA LEU A 31 6.892 0.688 0.935 1.00 0.00 C ATOM 416 C LEU A 31 6.331 0.942 -0.461 1.00 0.00 C ATOM 417 O LEU A 31 6.464 2.038 -1.005 1.00 0.00 O ATOM 418 CB LEU A 31 8.204 -0.092 0.836 1.00 0.00 C ATOM 419 CG LEU A 31 9.468 0.743 0.631 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.810 1.513 1.897 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.632 -0.144 0.213 1.00 0.00 C ATOM 0 H LEU A 31 6.343 -0.767 2.341 1.00 0.00 H new ATOM 0 HA LEU A 31 7.084 1.650 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.324 -0.679 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.122 -0.799 0.010 1.00 0.00 H new ATOM 0 HG LEU A 31 9.280 1.461 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.713 2.102 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.985 2.178 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.978 0.812 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.523 0.468 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.821 -0.886 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.387 -0.650 -0.721 1.00 0.00 H new ATOM 433 N GLY A 32 5.703 -0.079 -1.035 1.00 0.00 N ATOM 434 CA GLY A 32 5.129 0.054 -2.362 1.00 0.00 C ATOM 435 C GLY A 32 4.324 1.328 -2.520 1.00 0.00 C ATOM 436 O GLY A 32 4.399 1.994 -3.553 1.00 0.00 O ATOM 0 H GLY A 32 5.581 -0.996 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.928 0.038 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.489 -0.804 -2.565 1.00 0.00 H new ATOM 440 N LEU A 33 3.550 1.668 -1.495 1.00 0.00 N ATOM 441 CA LEU A 33 2.726 2.871 -1.525 1.00 0.00 C ATOM 442 C LEU A 33 3.593 4.124 -1.594 1.00 0.00 C ATOM 443 O LEU A 33 3.425 4.960 -2.482 1.00 0.00 O ATOM 444 CB LEU A 33 1.825 2.927 -0.290 1.00 0.00 C ATOM 445 CG LEU A 33 1.232 4.296 0.046 1.00 0.00 C ATOM 446 CD1 LEU A 33 0.448 4.843 -1.136 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.344 4.203 1.279 1.00 0.00 C ATOM 0 H LEU A 33 3.476 1.128 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 33 2.104 2.833 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.005 2.223 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.399 2.581 0.570 1.00 0.00 H new ATOM 0 HG LEU A 33 2.051 4.983 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.034 5.818 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.110 4.946 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.363 4.158 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.070 5.186 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.469 3.502 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.934 3.855 2.127 1.00 0.00 H new ATOM 459 N LYS A 34 4.521 4.247 -0.652 1.00 0.00 N ATOM 460 CA LYS A 34 5.418 5.396 -0.606 1.00 0.00 C ATOM 461 C LYS A 34 5.980 5.703 -1.991 1.00 0.00 C ATOM 462 O LYS A 34 6.064 6.863 -2.393 1.00 0.00 O ATOM 463 CB LYS A 34 6.564 5.136 0.375 1.00 0.00 C ATOM 464 CG LYS A 34 6.194 5.396 1.825 1.00 0.00 C ATOM 465 CD LYS A 34 5.593 4.162 2.477 1.00 0.00 C ATOM 466 CE LYS A 34 5.590 4.278 3.993 1.00 0.00 C ATOM 467 NZ LYS A 34 6.956 4.125 4.564 1.00 0.00 N ATOM 0 H LYS A 34 4.672 3.565 0.091 1.00 0.00 H new ATOM 0 HA LYS A 34 4.846 6.259 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.891 4.101 0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.411 5.767 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.081 5.705 2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.482 6.220 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.573 4.021 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.160 3.280 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.182 5.247 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.933 3.517 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.888 3.973 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.427 3.309 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.509 4.986 4.378 1.00 0.00 H new ATOM 481 N GLN A 35 6.362 4.656 -2.715 1.00 0.00 N ATOM 482 CA GLN A 35 6.915 4.815 -4.055 1.00 0.00 C ATOM 483 C GLN A 35 5.979 5.635 -4.936 1.00 0.00 C ATOM 484 O GLN A 35 6.428 6.433 -5.758 1.00 0.00 O ATOM 485 CB GLN A 35 7.166 3.447 -4.692 1.00 0.00 C ATOM 486 CG GLN A 35 8.030 3.507 -5.941 1.00 0.00 C ATOM 487 CD GLN A 35 7.401 4.332 -7.046 1.00 0.00 C ATOM 488 OE1 GLN A 35 6.206 4.216 -7.320 1.00 0.00 O ATOM 489 NE2 GLN A 35 8.204 5.172 -7.689 1.00 0.00 N ATOM 0 H GLN A 35 6.299 3.689 -2.397 1.00 0.00 H new ATOM 0 HA GLN A 35 7.862 5.347 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.645 2.797 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.208 2.992 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.002 3.929 -5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.207 2.495 -6.304 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.188 5.236 -7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.836 5.753 -8.443 1.00 0.00 H new ATOM 498 N GLN A 36 4.678 5.433 -4.758 1.00 0.00 N ATOM 499 CA GLN A 36 3.679 6.154 -5.538 1.00 0.00 C ATOM 500 C GLN A 36 3.718 7.646 -5.227 1.00 0.00 C ATOM 501 O GLN A 36 3.563 8.480 -6.119 1.00 0.00 O ATOM 502 CB GLN A 36 2.282 5.598 -5.257 1.00 0.00 C ATOM 503 CG GLN A 36 2.057 4.204 -5.821 1.00 0.00 C ATOM 504 CD GLN A 36 0.594 3.808 -5.829 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.204 4.352 -6.593 1.00 0.00 O ATOM 506 NE2 GLN A 36 0.233 2.855 -4.978 1.00 0.00 N ATOM 0 H GLN A 36 4.291 4.776 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 36 3.911 6.016 -6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.119 5.576 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.539 6.275 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.447 4.160 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.622 3.482 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.927 2.431 -4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.739 2.547 -4.940 1.00 0.00 H new ATOM 515 N ILE A 37 3.925 7.975 -3.956 1.00 0.00 N ATOM 516 CA ILE A 37 3.985 9.366 -3.527 1.00 0.00 C ATOM 517 C ILE A 37 5.270 10.034 -4.005 1.00 0.00 C ATOM 518 O ILE A 37 5.327 11.254 -4.156 1.00 0.00 O ATOM 519 CB ILE A 37 3.896 9.488 -1.994 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.464 9.227 -1.523 1.00 0.00 C ATOM 521 CG2 ILE A 37 4.365 10.863 -1.544 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.354 8.977 -0.035 1.00 0.00 C ATOM 0 H ILE A 37 4.054 7.296 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 37 3.128 9.870 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 37 4.549 8.739 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.842 10.082 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.065 8.365 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.296 10.934 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.400 11.014 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.736 11.629 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.311 8.800 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.949 8.104 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.722 9.847 0.508 1.00 0.00 H new ATOM 534 N GLU A 38 6.298 9.225 -4.243 1.00 0.00 N ATOM 535 CA GLU A 38 7.582 9.739 -4.705 1.00 0.00 C ATOM 536 C GLU A 38 7.504 10.162 -6.169 1.00 0.00 C ATOM 537 O GLU A 38 8.172 11.106 -6.590 1.00 0.00 O ATOM 538 CB GLU A 38 8.673 8.681 -4.526 1.00 0.00 C ATOM 539 CG GLU A 38 9.954 8.995 -5.281 1.00 0.00 C ATOM 540 CD GLU A 38 10.559 10.324 -4.876 1.00 0.00 C ATOM 541 OE1 GLU A 38 9.819 11.330 -4.849 1.00 0.00 O ATOM 542 OE2 GLU A 38 11.773 10.360 -4.585 1.00 0.00 O ATOM 0 H GLU A 38 6.267 8.212 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 38 7.832 10.614 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.901 8.582 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.291 7.717 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.679 8.201 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.747 9.005 -6.351 1.00 0.00 H new ATOM 549 N ASP A 39 6.683 9.457 -6.939 1.00 0.00 N ATOM 550 CA ASP A 39 6.516 9.759 -8.356 1.00 0.00 C ATOM 551 C ASP A 39 5.398 10.775 -8.567 1.00 0.00 C ATOM 552 O ASP A 39 5.366 11.474 -9.579 1.00 0.00 O ATOM 553 CB ASP A 39 6.214 8.480 -9.140 1.00 0.00 C ATOM 554 CG ASP A 39 7.473 7.784 -9.619 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.529 8.447 -9.682 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.401 6.577 -9.932 1.00 0.00 O ATOM 0 H ASP A 39 6.123 8.672 -6.606 1.00 0.00 H new ATOM 0 HA ASP A 39 7.448 10.189 -8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.642 7.798 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.587 8.723 -9.998 1.00 0.00 H new ATOM 561 N GLN A 40 4.484 10.850 -7.605 1.00 0.00 N ATOM 562 CA GLN A 40 3.363 11.780 -7.687 1.00 0.00 C ATOM 563 C GLN A 40 3.765 13.162 -7.182 1.00 0.00 C ATOM 564 O GLN A 40 3.682 14.148 -7.914 1.00 0.00 O ATOM 565 CB GLN A 40 2.176 11.253 -6.879 1.00 0.00 C ATOM 566 CG GLN A 40 1.420 10.130 -7.571 1.00 0.00 C ATOM 567 CD GLN A 40 0.300 10.639 -8.456 1.00 0.00 C ATOM 568 OE1 GLN A 40 0.233 11.828 -8.771 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.588 9.740 -8.863 1.00 0.00 N ATOM 0 H GLN A 40 4.497 10.279 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 40 3.070 11.867 -8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.534 10.897 -5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.488 12.075 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.116 9.545 -8.173 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.007 9.458 -6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.494 8.765 -8.578 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.364 10.024 -9.461 1.00 0.00 H new ATOM 578 N GLN A 41 4.198 13.225 -5.927 1.00 0.00 N ATOM 579 CA GLN A 41 4.611 14.487 -5.325 1.00 0.00 C ATOM 580 C GLN A 41 6.055 14.817 -5.688 1.00 0.00 C ATOM 581 O GLN A 41 6.357 15.925 -6.130 1.00 0.00 O ATOM 582 CB GLN A 41 4.457 14.424 -3.804 1.00 0.00 C ATOM 583 CG GLN A 41 3.048 14.082 -3.349 1.00 0.00 C ATOM 584 CD GLN A 41 2.978 13.739 -1.874 1.00 0.00 C ATOM 585 OE1 GLN A 41 3.880 14.071 -1.104 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.903 13.072 -1.471 1.00 0.00 N ATOM 0 H GLN A 41 4.272 12.418 -5.308 1.00 0.00 H new ATOM 0 HA GLN A 41 3.968 15.275 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.148 13.680 -3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.744 15.385 -3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.389 14.926 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.677 13.239 -3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.179 12.817 -2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.801 12.815 -0.489 1.00 0.00 H new ATOM 595 N GLY A 42 6.945 13.847 -5.499 1.00 0.00 N ATOM 596 CA GLY A 42 8.347 14.055 -5.811 1.00 0.00 C ATOM 597 C GLY A 42 9.246 13.843 -4.610 1.00 0.00 C ATOM 598 O GLY A 42 10.472 13.863 -4.731 1.00 0.00 O ATOM 0 H GLY A 42 6.720 12.921 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.644 13.373 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.485 15.068 -6.190 1.00 0.00 H new ATOM 602 N LEU A 43 8.638 13.640 -3.446 1.00 0.00 N ATOM 603 CA LEU A 43 9.392 13.426 -2.216 1.00 0.00 C ATOM 604 C LEU A 43 9.850 11.975 -2.104 1.00 0.00 C ATOM 605 O LEU A 43 9.094 11.038 -2.361 1.00 0.00 O ATOM 606 CB LEU A 43 8.541 13.799 -1.001 1.00 0.00 C ATOM 607 CG LEU A 43 9.308 14.249 0.243 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.465 15.205 1.073 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.729 13.046 1.075 1.00 0.00 C ATOM 0 H LEU A 43 7.625 13.619 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 43 10.274 14.066 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.859 14.598 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.928 12.938 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 43 10.207 14.775 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.027 15.515 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.215 16.082 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.548 14.705 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.274 13.386 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.844 12.492 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.372 12.398 0.479 1.00 0.00 H new ATOM 621 N PRO A 44 11.118 11.783 -1.709 1.00 0.00 N ATOM 622 CA PRO A 44 11.704 10.449 -1.552 1.00 0.00 C ATOM 623 C PRO A 44 11.116 9.694 -0.364 1.00 0.00 C ATOM 624 O PRO A 44 10.623 10.299 0.588 1.00 0.00 O ATOM 625 CB PRO A 44 13.189 10.739 -1.319 1.00 0.00 C ATOM 626 CG PRO A 44 13.221 12.115 -0.750 1.00 0.00 C ATOM 627 CD PRO A 44 12.076 12.853 -1.386 1.00 0.00 C ATOM 0 HA PRO A 44 11.510 9.814 -2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.631 10.016 -0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.754 10.682 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.116 12.091 0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.170 12.605 -0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.644 13.587 -0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.392 13.392 -2.279 1.00 0.00 H new ATOM 635 N LYS A 45 11.172 8.368 -0.425 1.00 0.00 N ATOM 636 CA LYS A 45 10.648 7.529 0.646 1.00 0.00 C ATOM 637 C LYS A 45 11.491 7.669 1.909 1.00 0.00 C ATOM 638 O LYS A 45 10.959 7.784 3.013 1.00 0.00 O ATOM 639 CB LYS A 45 10.612 6.064 0.203 1.00 0.00 C ATOM 640 CG LYS A 45 10.034 5.863 -1.187 1.00 0.00 C ATOM 641 CD LYS A 45 9.748 4.397 -1.465 1.00 0.00 C ATOM 642 CE LYS A 45 10.996 3.665 -1.935 1.00 0.00 C ATOM 643 NZ LYS A 45 11.898 3.323 -0.800 1.00 0.00 N ATOM 0 H LYS A 45 11.576 7.851 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 45 9.634 7.860 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.624 5.661 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.023 5.491 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.114 6.439 -1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.732 6.246 -1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.365 3.922 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.969 4.315 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.707 2.753 -2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.533 4.286 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.293 2.372 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.672 4.015 -0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.359 3.343 0.089 1.00 0.00 H new ATOM 657 N LYS A 46 12.809 7.659 1.739 1.00 0.00 N ATOM 658 CA LYS A 46 13.726 7.787 2.865 1.00 0.00 C ATOM 659 C LYS A 46 13.385 9.012 3.708 1.00 0.00 C ATOM 660 O LYS A 46 13.835 9.136 4.847 1.00 0.00 O ATOM 661 CB LYS A 46 15.169 7.885 2.365 1.00 0.00 C ATOM 662 CG LYS A 46 15.485 9.201 1.675 1.00 0.00 C ATOM 663 CD LYS A 46 15.970 10.247 2.664 1.00 0.00 C ATOM 664 CE LYS A 46 16.694 11.386 1.962 1.00 0.00 C ATOM 665 NZ LYS A 46 18.113 11.044 1.668 1.00 0.00 N ATOM 0 H LYS A 46 13.266 7.564 0.832 1.00 0.00 H new ATOM 0 HA LYS A 46 13.623 6.899 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.847 7.755 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.361 7.066 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.247 9.039 0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.595 9.568 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.121 10.643 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.638 9.782 3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.178 11.626 1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.658 12.279 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.571 11.846 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.612 10.840 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.148 10.207 1.051 1.00 0.00 H new ATOM 679 N GLN A 47 12.587 9.911 3.142 1.00 0.00 N ATOM 680 CA GLN A 47 12.186 11.125 3.843 1.00 0.00 C ATOM 681 C GLN A 47 10.776 10.985 4.409 1.00 0.00 C ATOM 682 O GLN A 47 10.547 11.228 5.594 1.00 0.00 O ATOM 683 CB GLN A 47 12.254 12.329 2.902 1.00 0.00 C ATOM 684 CG GLN A 47 13.663 12.860 2.694 1.00 0.00 C ATOM 685 CD GLN A 47 13.679 14.268 2.134 1.00 0.00 C ATOM 686 OE1 GLN A 47 12.630 14.856 1.870 1.00 0.00 O ATOM 687 NE2 GLN A 47 14.873 14.819 1.950 1.00 0.00 N ATOM 0 H GLN A 47 12.205 9.822 2.200 1.00 0.00 H new ATOM 0 HA GLN A 47 12.877 11.282 4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.834 12.049 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.629 13.128 3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.197 12.845 3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.201 12.197 2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.717 14.296 2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.946 15.765 1.576 1.00 0.00 H new ATOM 696 N GLN A 48 9.837 10.594 3.554 1.00 0.00 N ATOM 697 CA GLN A 48 8.450 10.424 3.970 1.00 0.00 C ATOM 698 C GLN A 48 8.307 9.239 4.919 1.00 0.00 C ATOM 699 O GLN A 48 8.950 8.206 4.737 1.00 0.00 O ATOM 700 CB GLN A 48 7.550 10.226 2.749 1.00 0.00 C ATOM 701 CG GLN A 48 7.361 8.768 2.362 1.00 0.00 C ATOM 702 CD GLN A 48 6.656 8.604 1.030 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.491 8.212 0.976 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.362 8.905 -0.054 1.00 0.00 N ATOM 0 H GLN A 48 10.011 10.389 2.570 1.00 0.00 H new ATOM 0 HA GLN A 48 8.142 11.327 4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.575 10.669 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.976 10.766 1.903 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.334 8.279 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.786 8.262 3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.326 9.227 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.941 8.815 -0.978 1.00 0.00 H new ATOM 713 N GLN A 49 7.461 9.396 5.932 1.00 0.00 N ATOM 714 CA GLN A 49 7.235 8.339 6.910 1.00 0.00 C ATOM 715 C GLN A 49 5.759 8.246 7.282 1.00 0.00 C ATOM 716 O GLN A 49 5.212 9.145 7.923 1.00 0.00 O ATOM 717 CB GLN A 49 8.075 8.588 8.164 1.00 0.00 C ATOM 718 CG GLN A 49 8.465 7.314 8.898 1.00 0.00 C ATOM 719 CD GLN A 49 9.584 7.535 9.896 1.00 0.00 C ATOM 720 OE1 GLN A 49 9.655 8.579 10.546 1.00 0.00 O ATOM 721 NE2 GLN A 49 10.467 6.552 10.023 1.00 0.00 N ATOM 0 H GLN A 49 6.921 10.245 6.097 1.00 0.00 H new ATOM 0 HA GLN A 49 7.537 7.393 6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.980 9.128 7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.517 9.232 8.843 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.593 6.917 9.418 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.774 6.561 8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.370 5.704 9.464 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.242 6.645 10.679 1.00 0.00 H new ATOM 730 N LEU A 50 5.119 7.156 6.876 1.00 0.00 N ATOM 731 CA LEU A 50 3.705 6.946 7.166 1.00 0.00 C ATOM 732 C LEU A 50 3.522 6.268 8.520 1.00 0.00 C ATOM 733 O LEU A 50 4.182 5.275 8.822 1.00 0.00 O ATOM 734 CB LEU A 50 3.059 6.099 6.068 1.00 0.00 C ATOM 735 CG LEU A 50 2.973 6.746 4.685 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.418 5.760 3.668 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.116 8.002 4.735 1.00 0.00 C ATOM 0 H LEU A 50 5.557 6.403 6.345 1.00 0.00 H new ATOM 0 HA LEU A 50 3.218 7.920 7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.619 5.168 5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.051 5.834 6.387 1.00 0.00 H new ATOM 0 HG LEU A 50 3.979 7.029 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.364 6.238 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.072 4.890 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.420 5.445 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.066 8.448 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.111 7.743 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.556 8.715 5.432 1.00 0.00 H new ATOM 749 N GLU A 51 2.619 6.812 9.331 1.00 0.00 N ATOM 750 CA GLU A 51 2.349 6.258 10.653 1.00 0.00 C ATOM 751 C GLU A 51 0.874 5.893 10.798 1.00 0.00 C ATOM 752 O GLU A 51 0.023 6.393 10.062 1.00 0.00 O ATOM 753 CB GLU A 51 2.747 7.258 11.740 1.00 0.00 C ATOM 754 CG GLU A 51 4.234 7.568 11.766 1.00 0.00 C ATOM 755 CD GLU A 51 4.664 8.461 10.619 1.00 0.00 C ATOM 756 OE1 GLU A 51 3.814 9.220 10.108 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.850 8.401 10.232 1.00 0.00 O ATOM 0 H GLU A 51 2.063 7.634 9.096 1.00 0.00 H new ATOM 0 HA GLU A 51 2.943 5.352 10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.194 8.185 11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.450 6.863 12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.484 8.051 12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.796 6.635 11.726 1.00 0.00 H new ATOM 764 N PHE A 52 0.579 5.016 11.752 1.00 0.00 N ATOM 765 CA PHE A 52 -0.792 4.581 11.994 1.00 0.00 C ATOM 766 C PHE A 52 -1.014 4.281 13.473 1.00 0.00 C ATOM 767 O PHE A 52 -0.465 3.319 14.010 1.00 0.00 O ATOM 768 CB PHE A 52 -1.111 3.341 11.156 1.00 0.00 C ATOM 769 CG PHE A 52 -2.532 2.874 11.295 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.559 3.536 10.642 1.00 0.00 C ATOM 771 CD2 PHE A 52 -2.840 1.773 12.077 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.868 3.108 10.769 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.146 1.340 12.208 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.161 2.008 11.551 1.00 0.00 C ATOM 0 H PHE A 52 1.271 4.592 12.370 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.461 5.390 11.702 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.909 3.559 10.107 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.441 2.532 11.448 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.335 4.395 10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.050 1.246 12.591 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.660 3.634 10.257 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.372 0.481 12.823 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.182 1.671 11.649 1.00 0.00 H new ATOM 784 N GLN A 53 -1.822 5.111 14.125 1.00 0.00 N ATOM 785 CA GLN A 53 -2.116 4.935 15.542 1.00 0.00 C ATOM 786 C GLN A 53 -0.853 5.089 16.383 1.00 0.00 C ATOM 787 O GLN A 53 -0.649 4.362 17.354 1.00 0.00 O ATOM 788 CB GLN A 53 -2.742 3.561 15.788 1.00 0.00 C ATOM 789 CG GLN A 53 -4.036 3.337 15.022 1.00 0.00 C ATOM 790 CD GLN A 53 -5.165 4.224 15.510 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.342 4.417 16.713 1.00 0.00 O ATOM 792 NE2 GLN A 53 -5.936 4.769 14.577 1.00 0.00 N ATOM 0 H GLN A 53 -2.284 5.912 13.694 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.825 5.708 15.839 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.025 2.789 15.508 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.936 3.445 16.854 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.864 3.525 13.962 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.333 2.293 15.116 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.753 4.582 13.591 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.711 5.375 14.846 1.00 0.00 H new ATOM 801 N GLY A 54 -0.006 6.041 16.002 1.00 0.00 N ATOM 802 CA GLY A 54 1.226 6.273 16.732 1.00 0.00 C ATOM 803 C GLY A 54 2.230 5.152 16.546 1.00 0.00 C ATOM 804 O GLY A 54 2.830 4.682 17.512 1.00 0.00 O ATOM 0 H GLY A 54 -0.152 6.655 15.201 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.669 7.212 16.401 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.001 6.383 17.793 1.00 0.00 H new ATOM 808 N GLN A 55 2.410 4.721 15.301 1.00 0.00 N ATOM 809 CA GLN A 55 3.345 3.646 14.993 1.00 0.00 C ATOM 810 C GLN A 55 4.105 3.939 13.703 1.00 0.00 C ATOM 811 O GLN A 55 3.694 4.783 12.906 1.00 0.00 O ATOM 812 CB GLN A 55 2.603 2.315 14.871 1.00 0.00 C ATOM 813 CG GLN A 55 1.751 1.980 16.084 1.00 0.00 C ATOM 814 CD GLN A 55 1.506 0.491 16.232 1.00 0.00 C ATOM 815 OE1 GLN A 55 1.884 -0.115 17.235 1.00 0.00 O ATOM 816 NE2 GLN A 55 0.870 -0.107 15.232 1.00 0.00 N ATOM 0 H GLN A 55 1.921 5.100 14.490 1.00 0.00 H new ATOM 0 HA GLN A 55 4.064 3.579 15.810 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.966 2.343 13.987 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.329 1.517 14.716 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.241 2.355 16.982 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.794 2.496 16.005 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.575 0.434 14.419 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.677 -1.108 15.276 1.00 0.00 H new ATOM 825 N VAL A 56 5.215 3.236 13.503 1.00 0.00 N ATOM 826 CA VAL A 56 6.032 3.420 12.309 1.00 0.00 C ATOM 827 C VAL A 56 5.805 2.291 11.310 1.00 0.00 C ATOM 828 O VAL A 56 6.370 1.205 11.444 1.00 0.00 O ATOM 829 CB VAL A 56 7.530 3.487 12.659 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.369 3.598 11.396 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.806 4.654 13.597 1.00 0.00 C ATOM 0 H VAL A 56 5.569 2.534 14.152 1.00 0.00 H new ATOM 0 HA VAL A 56 5.729 4.366 11.860 1.00 0.00 H new ATOM 0 HB VAL A 56 7.808 2.565 13.171 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.425 3.644 11.663 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.192 2.727 10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.092 4.502 10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.869 4.687 13.834 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.513 5.586 13.114 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.233 4.526 14.515 1.00 0.00 H new ATOM 841 N LEU A 57 4.975 2.555 10.306 1.00 0.00 N ATOM 842 CA LEU A 57 4.674 1.562 9.281 1.00 0.00 C ATOM 843 C LEU A 57 5.949 1.085 8.593 1.00 0.00 C ATOM 844 O LEU A 57 6.484 1.765 7.719 1.00 0.00 O ATOM 845 CB LEU A 57 3.710 2.145 8.247 1.00 0.00 C ATOM 846 CG LEU A 57 2.481 2.864 8.804 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.675 3.494 7.679 1.00 0.00 C ATOM 848 CD2 LEU A 57 1.617 1.901 9.606 1.00 0.00 C ATOM 0 H LEU A 57 4.499 3.448 10.180 1.00 0.00 H new ATOM 0 HA LEU A 57 4.204 0.706 9.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.262 2.845 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.370 1.336 7.600 1.00 0.00 H new ATOM 0 HG LEU A 57 2.820 3.658 9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.804 4.001 8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.295 4.215 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.347 2.718 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.747 2.430 9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.288 1.085 8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.197 1.497 10.436 1.00 0.00 H new ATOM 860 N GLN A 58 6.427 -0.089 8.994 1.00 0.00 N ATOM 861 CA GLN A 58 7.639 -0.657 8.414 1.00 0.00 C ATOM 862 C GLN A 58 7.533 -0.729 6.894 1.00 0.00 C ATOM 863 O GLN A 58 6.556 -0.262 6.307 1.00 0.00 O ATOM 864 CB GLN A 58 7.897 -2.052 8.985 1.00 0.00 C ATOM 865 CG GLN A 58 8.639 -2.039 10.312 1.00 0.00 C ATOM 866 CD GLN A 58 9.776 -1.037 10.334 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.641 -1.043 9.459 1.00 0.00 O ATOM 868 NE2 GLN A 58 9.780 -0.168 11.339 1.00 0.00 N ATOM 0 H GLN A 58 5.995 -0.664 9.717 1.00 0.00 H new ATOM 0 HA GLN A 58 8.474 -0.006 8.671 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.944 -2.564 9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.472 -2.631 8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.938 -1.806 11.114 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.033 -3.035 10.513 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.043 -0.199 12.043 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.521 0.530 11.407 1.00 0.00 H new ATOM 877 N ASP A 59 8.544 -1.315 6.263 1.00 0.00 N ATOM 878 CA ASP A 59 8.565 -1.449 4.811 1.00 0.00 C ATOM 879 C ASP A 59 8.278 -2.888 4.393 1.00 0.00 C ATOM 880 O ASP A 59 7.654 -3.132 3.361 1.00 0.00 O ATOM 881 CB ASP A 59 9.918 -1.003 4.256 1.00 0.00 C ATOM 882 CG ASP A 59 11.075 -1.775 4.860 1.00 0.00 C ATOM 883 OD1 ASP A 59 11.448 -1.478 6.015 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.606 -2.677 4.179 1.00 0.00 O ATOM 0 H ASP A 59 9.360 -1.705 6.734 1.00 0.00 H new ATOM 0 HA ASP A 59 7.784 -0.809 4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.924 -1.133 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.054 0.061 4.450 1.00 0.00 H new ATOM 889 N TRP A 60 8.739 -3.835 5.201 1.00 0.00 N ATOM 890 CA TRP A 60 8.534 -5.251 4.914 1.00 0.00 C ATOM 891 C TRP A 60 7.240 -5.751 5.546 1.00 0.00 C ATOM 892 O TRP A 60 6.955 -6.950 5.535 1.00 0.00 O ATOM 893 CB TRP A 60 9.717 -6.073 5.426 1.00 0.00 C ATOM 894 CG TRP A 60 9.625 -6.402 6.886 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.024 -7.495 7.443 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.148 -5.632 7.973 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.142 -7.450 8.811 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.828 -6.318 9.161 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.858 -4.431 8.059 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.193 -5.840 10.417 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.219 -3.958 9.306 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.887 -4.662 10.471 1.00 0.00 C ATOM 0 H TRP A 60 9.257 -3.649 6.060 1.00 0.00 H new ATOM 0 HA TRP A 60 8.459 -5.371 3.833 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.780 -7.000 4.855 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.639 -5.522 5.243 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.529 -8.279 6.889 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.778 -8.147 9.461 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.120 -3.882 7.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.937 -6.380 11.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.766 -3.030 9.384 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.185 -4.267 11.431 1.00 0.00 H new ATOM 913 N LEU A 61 6.459 -4.828 6.096 1.00 0.00 N ATOM 914 CA LEU A 61 5.194 -5.177 6.733 1.00 0.00 C ATOM 915 C LEU A 61 4.014 -4.793 5.845 1.00 0.00 C ATOM 916 O LEU A 61 3.831 -3.624 5.509 1.00 0.00 O ATOM 917 CB LEU A 61 5.073 -4.480 8.089 1.00 0.00 C ATOM 918 CG LEU A 61 5.630 -5.247 9.289 1.00 0.00 C ATOM 919 CD1 LEU A 61 7.088 -5.611 9.060 1.00 0.00 C ATOM 920 CD2 LEU A 61 5.476 -4.428 10.563 1.00 0.00 C ATOM 0 H LEU A 61 6.679 -3.832 6.114 1.00 0.00 H new ATOM 0 HA LEU A 61 5.177 -6.256 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.584 -3.519 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.020 -4.270 8.274 1.00 0.00 H new ATOM 0 HG LEU A 61 5.061 -6.170 9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.467 -6.156 9.924 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.172 -6.236 8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.672 -4.702 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.878 -4.989 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.020 -3.489 10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.420 -4.219 10.736 1.00 0.00 H new ATOM 932 N GLY A 62 3.214 -5.788 5.471 1.00 0.00 N ATOM 933 CA GLY A 62 2.060 -5.534 4.627 1.00 0.00 C ATOM 934 C GLY A 62 0.980 -4.747 5.343 1.00 0.00 C ATOM 935 O GLY A 62 1.017 -4.599 6.566 1.00 0.00 O ATOM 0 H GLY A 62 3.344 -6.764 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.376 -4.986 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.648 -6.483 4.285 1.00 0.00 H new ATOM 939 N LEU A 63 0.017 -4.240 4.582 1.00 0.00 N ATOM 940 CA LEU A 63 -1.078 -3.462 5.151 1.00 0.00 C ATOM 941 C LEU A 63 -1.873 -4.293 6.153 1.00 0.00 C ATOM 942 O LEU A 63 -2.397 -3.767 7.134 1.00 0.00 O ATOM 943 CB LEU A 63 -2.002 -2.959 4.041 1.00 0.00 C ATOM 944 CG LEU A 63 -1.427 -1.876 3.127 1.00 0.00 C ATOM 945 CD1 LEU A 63 -0.705 -2.504 1.945 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.528 -0.943 2.647 1.00 0.00 C ATOM 0 H LEU A 63 -0.028 -4.353 3.569 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.650 -2.607 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.293 -3.810 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.912 -2.573 4.501 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.706 -1.291 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.302 -1.719 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.110 -3.130 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.405 -3.114 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.100 -0.179 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.273 -1.514 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.001 -0.466 3.506 1.00 0.00 H new ATOM 958 N GLY A 64 -1.957 -5.596 5.899 1.00 0.00 N ATOM 959 CA GLY A 64 -2.688 -6.479 6.789 1.00 0.00 C ATOM 960 C GLY A 64 -1.981 -6.681 8.115 1.00 0.00 C ATOM 961 O GLY A 64 -2.566 -6.465 9.177 1.00 0.00 O ATOM 0 H GLY A 64 -1.532 -6.055 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.681 -6.067 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.827 -7.445 6.304 1.00 0.00 H new ATOM 965 N ILE A 65 -0.721 -7.098 8.054 1.00 0.00 N ATOM 966 CA ILE A 65 0.066 -7.330 9.259 1.00 0.00 C ATOM 967 C ILE A 65 -0.296 -6.331 10.352 1.00 0.00 C ATOM 968 O ILE A 65 -0.297 -6.665 11.537 1.00 0.00 O ATOM 969 CB ILE A 65 1.576 -7.237 8.972 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.045 -8.463 8.186 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.355 -7.105 10.272 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.650 -8.432 6.726 1.00 0.00 C ATOM 0 H ILE A 65 -0.223 -7.282 7.183 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.168 -8.338 9.600 1.00 0.00 H new ATOM 0 HB ILE A 65 1.762 -6.349 8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.130 -8.538 8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.632 -9.360 8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.421 -7.040 10.053 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.037 -6.204 10.797 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.166 -7.976 10.899 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.015 -9.332 6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.564 -8.388 6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.086 -7.554 6.250 1.00 0.00 H new ATOM 984 N TYR A 66 -0.603 -5.104 9.946 1.00 0.00 N ATOM 985 CA TYR A 66 -0.966 -4.055 10.891 1.00 0.00 C ATOM 986 C TYR A 66 -2.466 -4.071 11.174 1.00 0.00 C ATOM 987 O TYR A 66 -2.893 -3.966 12.322 1.00 0.00 O ATOM 988 CB TYR A 66 -0.553 -2.685 10.348 1.00 0.00 C ATOM 989 CG TYR A 66 0.851 -2.279 10.735 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.261 -2.300 12.063 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.768 -1.876 9.773 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.542 -1.929 12.421 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.053 -1.505 10.121 1.00 0.00 C ATOM 994 CZ TYR A 66 3.434 -1.533 11.446 1.00 0.00 C ATOM 995 OH TYR A 66 4.713 -1.164 11.799 1.00 0.00 O ATOM 0 H TYR A 66 -0.608 -4.812 8.969 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.436 -4.244 11.825 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.633 -2.695 9.261 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.253 -1.933 10.712 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.566 -2.612 12.828 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.472 -1.852 8.735 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.844 -1.949 13.458 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.754 -1.195 9.360 1.00 0.00 H new ATOM 0 HH TYR A 66 4.853 -0.219 11.579 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.259 -4.204 10.115 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.702 -4.232 10.269 1.00 0.00 C ATOM 1007 C GLY A 67 -5.372 -3.004 9.684 1.00 0.00 C ATOM 1008 O GLY A 67 -6.433 -2.587 10.150 1.00 0.00 O ATOM 0 H GLY A 67 -2.928 -4.293 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.099 -5.124 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.950 -4.308 11.328 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.751 -2.424 8.663 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.294 -1.236 8.015 1.00 0.00 C ATOM 1014 C ILE A 68 -6.587 -1.557 7.272 1.00 0.00 C ATOM 1015 O ILE A 68 -6.733 -2.637 6.701 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.285 -0.625 7.024 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.976 -0.287 7.740 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.872 0.617 6.369 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.817 -0.048 6.798 1.00 0.00 C ATOM 0 H ILE A 68 -3.872 -2.757 8.267 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.501 -0.513 8.804 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.073 -1.358 6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.125 0.602 8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.721 -1.102 8.418 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.147 1.037 5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.781 0.349 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.109 1.355 7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.922 0.186 7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.641 -0.944 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.052 0.786 6.137 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.520 -0.611 7.285 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.801 -0.794 6.611 1.00 0.00 C ATOM 1033 C GLN A 69 -9.028 0.297 5.570 1.00 0.00 C ATOM 1034 O GLN A 69 -8.359 1.330 5.582 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.942 -0.789 7.630 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.888 -1.950 8.610 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.996 -1.893 9.643 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -11.958 -1.139 9.498 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -10.866 -2.693 10.695 1.00 0.00 N ATOM 0 H GLN A 69 -7.414 0.289 7.754 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.782 -1.758 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.916 0.147 8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.893 -0.817 7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.957 -2.888 8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.923 -1.948 9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.052 -3.302 10.775 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.580 -2.698 11.423 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.975 0.059 4.669 1.00 0.00 N ATOM 1049 CA ASP A 70 -10.292 1.021 3.620 1.00 0.00 C ATOM 1050 C ASP A 70 -10.916 2.282 4.210 1.00 0.00 C ATOM 1051 O ASP A 70 -11.582 2.232 5.244 1.00 0.00 O ATOM 1052 CB ASP A 70 -11.241 0.398 2.596 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.620 0.135 3.169 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.707 -0.222 4.363 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.611 0.284 2.424 1.00 0.00 O ATOM 0 H ASP A 70 -10.537 -0.792 4.644 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.363 1.296 3.121 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.329 1.062 1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.816 -0.538 2.234 1.00 0.00 H new ATOM 1060 N SER A 71 -10.696 3.412 3.545 1.00 0.00 N ATOM 1061 CA SER A 71 -11.233 4.687 4.006 1.00 0.00 C ATOM 1062 C SER A 71 -10.547 5.132 5.294 1.00 0.00 C ATOM 1063 O SER A 71 -11.183 5.689 6.189 1.00 0.00 O ATOM 1064 CB SER A 71 -12.743 4.577 4.230 1.00 0.00 C ATOM 1065 OG SER A 71 -13.374 5.836 4.075 1.00 0.00 O ATOM 0 H SER A 71 -10.150 3.470 2.686 1.00 0.00 H new ATOM 0 HA SER A 71 -11.040 5.434 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.168 3.864 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.938 4.189 5.230 1.00 0.00 H new ATOM 0 HG SER A 71 -14.338 5.739 4.222 1.00 0.00 H new ATOM 1071 N ASP A 72 -9.245 4.882 5.380 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.471 5.257 6.557 1.00 0.00 C ATOM 1073 C ASP A 72 -7.610 6.484 6.273 1.00 0.00 C ATOM 1074 O ASP A 72 -7.488 6.919 5.127 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.587 4.092 7.005 1.00 0.00 C ATOM 1076 CG ASP A 72 -7.199 4.188 8.467 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.436 5.111 8.819 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.659 3.339 9.260 1.00 0.00 O ATOM 0 H ASP A 72 -8.704 4.421 4.649 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.169 5.502 7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.114 3.153 6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.685 4.068 6.394 1.00 0.00 H new ATOM 1083 N THR A 73 -7.016 7.040 7.324 1.00 0.00 N ATOM 1084 CA THR A 73 -6.169 8.219 7.189 1.00 0.00 C ATOM 1085 C THR A 73 -4.729 7.909 7.580 1.00 0.00 C ATOM 1086 O THR A 73 -4.477 7.233 8.578 1.00 0.00 O ATOM 1087 CB THR A 73 -6.685 9.384 8.055 1.00 0.00 C ATOM 1088 OG1 THR A 73 -7.979 9.795 7.603 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.725 10.563 8.003 1.00 0.00 C ATOM 0 H THR A 73 -7.106 6.693 8.279 1.00 0.00 H new ATOM 0 HA THR A 73 -6.202 8.514 6.140 1.00 0.00 H new ATOM 0 HB THR A 73 -6.755 9.038 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.300 10.535 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.110 11.373 8.622 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.749 10.254 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.627 10.908 6.974 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.786 8.406 6.787 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.369 8.183 7.051 1.00 0.00 C ATOM 1099 C LEU A 74 -1.614 9.506 7.127 1.00 0.00 C ATOM 1100 O LEU A 74 -1.816 10.396 6.300 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.761 7.297 5.962 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.361 5.898 5.822 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.998 5.294 4.474 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -1.890 4.999 6.956 1.00 0.00 C ATOM 0 H LEU A 74 -3.977 8.966 5.956 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.279 7.679 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.861 7.811 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.694 7.195 6.159 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.446 5.982 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.434 4.298 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.386 5.926 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.914 5.224 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.327 4.007 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.803 4.921 6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.202 5.423 7.910 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.741 9.627 8.122 1.00 0.00 N ATOM 1117 CA ILE A 75 0.046 10.840 8.303 1.00 0.00 C ATOM 1118 C ILE A 75 1.390 10.735 7.590 1.00 0.00 C ATOM 1119 O ILE A 75 2.109 9.746 7.740 1.00 0.00 O ATOM 1120 CB ILE A 75 0.291 11.135 9.795 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.017 11.024 10.580 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.904 12.516 9.968 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.196 11.666 9.884 1.00 0.00 C ATOM 0 H ILE A 75 -0.561 8.900 8.814 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.530 11.657 7.869 1.00 0.00 H new ATOM 0 HB ILE A 75 0.991 10.397 10.186 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.238 9.971 10.755 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.885 11.489 11.557 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.071 12.710 11.028 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.855 12.561 9.436 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.226 13.268 9.564 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.089 11.549 10.498 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.996 12.727 9.733 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.354 11.186 8.918 1.00 0.00 H new ATOM 1135 N LEU A 76 1.724 11.761 6.815 1.00 0.00 N ATOM 1136 CA LEU A 76 2.984 11.785 6.079 1.00 0.00 C ATOM 1137 C LEU A 76 3.888 12.905 6.584 1.00 0.00 C ATOM 1138 O LEU A 76 3.472 14.060 6.674 1.00 0.00 O ATOM 1139 CB LEU A 76 2.719 11.964 4.583 1.00 0.00 C ATOM 1140 CG LEU A 76 3.945 11.894 3.672 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.203 10.461 3.232 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.764 12.801 2.463 1.00 0.00 C ATOM 0 H LEU A 76 1.141 12.587 6.680 1.00 0.00 H new ATOM 0 HA LEU A 76 3.490 10.833 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.011 11.199 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.234 12.929 4.433 1.00 0.00 H new ATOM 0 HG LEU A 76 4.812 12.241 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.079 10.431 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.378 9.837 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.337 10.086 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.646 12.738 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.886 12.485 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.630 13.830 2.797 1.00 0.00 H new ATOM 1154 N SER A 77 5.128 12.555 6.911 1.00 0.00 N ATOM 1155 CA SER A 77 6.091 13.530 7.409 1.00 0.00 C ATOM 1156 C SER A 77 7.502 13.187 6.941 1.00 0.00 C ATOM 1157 O SER A 77 7.825 12.022 6.703 1.00 0.00 O ATOM 1158 CB SER A 77 6.048 13.586 8.937 1.00 0.00 C ATOM 1159 OG SER A 77 4.908 14.298 9.389 1.00 0.00 O ATOM 0 H SER A 77 5.489 11.604 6.840 1.00 0.00 H new ATOM 0 HA SER A 77 5.821 14.507 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.032 12.574 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.952 14.065 9.312 1.00 0.00 H new ATOM 0 HG SER A 77 4.321 14.492 8.629 1.00 0.00 H new ATOM 1165 N LYS A 78 8.341 14.209 6.812 1.00 0.00 N ATOM 1166 CA LYS A 78 9.719 14.019 6.374 1.00 0.00 C ATOM 1167 C LYS A 78 10.596 13.549 7.530 1.00 0.00 C ATOM 1168 O LYS A 78 10.338 13.869 8.690 1.00 0.00 O ATOM 1169 CB LYS A 78 10.275 15.321 5.794 1.00 0.00 C ATOM 1170 CG LYS A 78 9.279 16.079 4.934 1.00 0.00 C ATOM 1171 CD LYS A 78 9.814 17.442 4.530 1.00 0.00 C ATOM 1172 CE LYS A 78 10.863 17.327 3.435 1.00 0.00 C ATOM 1173 NZ LYS A 78 12.162 16.824 3.961 1.00 0.00 N ATOM 0 H LYS A 78 8.090 15.179 7.005 1.00 0.00 H new ATOM 0 HA LYS A 78 9.726 13.252 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.599 15.964 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.159 15.095 5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.052 15.497 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.344 16.202 5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.992 18.068 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.247 17.936 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.502 16.655 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.012 18.302 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.931 17.447 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.135 16.814 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.329 15.859 3.610 1.00 0.00 H new ATOM 1187 N LYS A 79 11.636 12.788 7.205 1.00 0.00 N ATOM 1188 CA LYS A 79 12.555 12.275 8.215 1.00 0.00 C ATOM 1189 C LYS A 79 13.475 13.380 8.724 1.00 0.00 C ATOM 1190 O LYS A 79 13.860 14.277 7.974 1.00 0.00 O ATOM 1191 CB LYS A 79 13.389 11.128 7.640 1.00 0.00 C ATOM 1192 CG LYS A 79 12.563 9.917 7.241 1.00 0.00 C ATOM 1193 CD LYS A 79 13.348 8.627 7.409 1.00 0.00 C ATOM 1194 CE LYS A 79 12.651 7.458 6.730 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.530 6.258 6.651 1.00 0.00 N ATOM 0 H LYS A 79 11.864 12.513 6.250 1.00 0.00 H new ATOM 0 HA LYS A 79 11.964 11.903 9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.935 11.488 6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.131 10.824 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.659 9.876 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.245 10.018 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.346 8.750 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.473 8.411 8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.743 7.208 7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.345 7.751 5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.019 5.483 6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.385 6.489 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.801 5.963 7.611 1.00 0.00 H new