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 35 GLN : amide:sc= -1.89! K(o=-3.4!,f=-6) USER MOD Set 1.2: A 45 LYS NZ :NH3+ 159:sc= -1.48 (180deg=-2.92!) USER MOD Set 2.1: A 25 ASN : amide:sc= -2.48! C(o=-2.6!,f=-6.7!) USER MOD Set 2.2: A 27 ASN : amide:sc= -0.0782 X(o=-2.6,f=-3) USER MOD Set 3.1: A 22 TYR OH : rot 30:sc= -0.802 USER MOD Set 3.2: A 41 GLN : amide:sc= -3.41! C(o=-4.2!,f=-7.5!) USER MOD Set 4.1: A 14 ASN : amide:sc= -0.463 K(o=-0.46,f=-11!) USER MOD Set 4.2: A 20 TYR OH : rot 180:sc= 0 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 19 SER OG : rot 34:sc= 0.336 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.004 X(o=0.004,f=0) USER MOD Single : A 40 GLN : amide:sc=-0.00764 X(o=-0.0076,f=-0.0076) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -1.29 (180deg=-1.75) USER MOD Single : A 47 GLN : amide:sc= -0.535 K(o=-0.54,f=-3.3!) USER MOD Single : A 48 GLN : amide:sc= -5.09! C(o=-5.1!,f=-10!) USER MOD Single : A 49 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.19) USER MOD Single : A 53 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.47) USER MOD Single : A 55 GLN : amide:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 58 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.55) USER MOD Single : A 66 TYR OH : rot -105:sc= 0.821 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) 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 20:sc= 0.00994 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 145:sc= 0.966 (180deg=0.363) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.604 -2.867 -5.264 1.00 0.00 N ATOM 60 CA GLY A 7 -7.047 -2.809 -3.925 1.00 0.00 C ATOM 61 C GLY A 7 -7.862 -1.932 -2.995 1.00 0.00 C ATOM 62 O GLY A 7 -9.075 -1.800 -3.161 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.992 -3.817 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.026 -2.430 -3.976 1.00 0.00 H new ATOM 66 N ILE A 8 -7.196 -1.332 -2.015 1.00 0.00 N ATOM 67 CA ILE A 8 -7.868 -0.464 -1.055 1.00 0.00 C ATOM 68 C ILE A 8 -7.477 0.995 -1.266 1.00 0.00 C ATOM 69 O ILE A 8 -6.376 1.291 -1.730 1.00 0.00 O ATOM 70 CB ILE A 8 -7.539 -0.867 0.394 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.037 -0.744 0.654 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.015 -2.286 0.670 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.696 -0.422 2.092 1.00 0.00 C ATOM 0 H ILE A 8 -6.192 -1.431 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.939 -0.579 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.061 -0.190 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.551 -1.679 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.628 0.034 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.775 -2.557 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.093 -2.343 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.518 -2.976 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.614 -0.350 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.153 0.528 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.075 -1.211 2.741 1.00 0.00 H new ATOM 85 N GLN A 9 -8.385 1.901 -0.921 1.00 0.00 N ATOM 86 CA GLN A 9 -8.134 3.330 -1.072 1.00 0.00 C ATOM 87 C GLN A 9 -7.806 3.970 0.273 1.00 0.00 C ATOM 88 O GLN A 9 -8.640 3.999 1.178 1.00 0.00 O ATOM 89 CB GLN A 9 -9.349 4.019 -1.696 1.00 0.00 C ATOM 90 CG GLN A 9 -9.004 5.292 -2.453 1.00 0.00 C ATOM 91 CD GLN A 9 -9.980 5.586 -3.574 1.00 0.00 C ATOM 92 OE1 GLN A 9 -9.907 4.991 -4.649 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.903 6.509 -3.329 1.00 0.00 N ATOM 0 H GLN A 9 -9.301 1.672 -0.535 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.276 3.455 -1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.841 3.324 -2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.065 4.257 -0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.991 6.131 -1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.999 5.204 -2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.927 6.978 -2.424 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.587 6.749 -4.046 1.00 0.00 H new ATOM 102 N VAL A 10 -6.586 4.482 0.397 1.00 0.00 N ATOM 103 CA VAL A 10 -6.147 5.122 1.631 1.00 0.00 C ATOM 104 C VAL A 10 -6.032 6.632 1.456 1.00 0.00 C ATOM 105 O VAL A 10 -5.963 7.134 0.334 1.00 0.00 O ATOM 106 CB VAL A 10 -4.790 4.565 2.101 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.911 3.091 2.454 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.728 4.782 1.034 1.00 0.00 C ATOM 0 H VAL A 10 -5.884 4.466 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.902 4.903 2.387 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.486 5.104 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.942 2.715 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.640 2.967 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.237 2.532 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.775 4.383 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.023 4.270 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.624 5.849 0.836 1.00 0.00 H new ATOM 118 N PHE A 11 -6.010 7.352 2.573 1.00 0.00 N ATOM 119 CA PHE A 11 -5.903 8.806 2.543 1.00 0.00 C ATOM 120 C PHE A 11 -4.574 9.266 3.134 1.00 0.00 C ATOM 121 O PHE A 11 -4.366 9.207 4.346 1.00 0.00 O ATOM 122 CB PHE A 11 -7.063 9.440 3.314 1.00 0.00 C ATOM 123 CG PHE A 11 -8.400 9.235 2.661 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.791 10.024 1.591 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.266 8.255 3.117 1.00 0.00 C ATOM 126 CE1 PHE A 11 -10.020 9.839 0.987 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.497 8.065 2.517 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.875 8.858 1.451 1.00 0.00 C ATOM 0 H PHE A 11 -6.065 6.952 3.510 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.948 9.127 1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.091 9.022 4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.878 10.509 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.127 10.793 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.976 7.632 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.312 10.460 0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.163 7.297 2.882 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.836 8.712 0.981 1.00 0.00 H new ATOM 138 N VAL A 12 -3.675 9.723 2.268 1.00 0.00 N ATOM 139 CA VAL A 12 -2.365 10.194 2.703 1.00 0.00 C ATOM 140 C VAL A 12 -2.409 11.670 3.079 1.00 0.00 C ATOM 141 O VAL A 12 -2.579 12.537 2.222 1.00 0.00 O ATOM 142 CB VAL A 12 -1.302 9.986 1.607 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.043 10.533 2.058 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.193 8.513 1.244 1.00 0.00 C ATOM 0 H VAL A 12 -3.830 9.777 1.261 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.092 9.607 3.580 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.610 10.534 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.781 10.377 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.048 11.599 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.362 10.015 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.438 8.384 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.908 7.941 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.155 8.157 0.876 1.00 0.00 H new ATOM 154 N LYS A 13 -2.253 11.951 4.369 1.00 0.00 N ATOM 155 CA LYS A 13 -2.273 13.323 4.861 1.00 0.00 C ATOM 156 C LYS A 13 -0.878 13.940 4.810 1.00 0.00 C ATOM 157 O LYS A 13 -0.042 13.678 5.673 1.00 0.00 O ATOM 158 CB LYS A 13 -2.808 13.365 6.294 1.00 0.00 C ATOM 159 CG LYS A 13 -3.251 14.748 6.738 1.00 0.00 C ATOM 160 CD LYS A 13 -4.332 14.673 7.803 1.00 0.00 C ATOM 161 CE LYS A 13 -4.573 16.028 8.450 1.00 0.00 C ATOM 162 NZ LYS A 13 -5.969 16.163 8.952 1.00 0.00 N ATOM 0 H LYS A 13 -2.111 11.246 5.092 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.932 13.904 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.650 12.678 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.034 13.005 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.394 15.298 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.624 15.305 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.259 14.312 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.043 13.951 8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.875 16.165 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.369 16.817 7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.093 17.100 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.635 16.057 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.156 15.426 9.661 1.00 0.00 H new ATOM 176 N ASN A 14 -0.636 14.761 3.793 1.00 0.00 N ATOM 177 CA ASN A 14 0.657 15.415 3.631 1.00 0.00 C ATOM 178 C ASN A 14 0.901 16.424 4.749 1.00 0.00 C ATOM 179 O ASN A 14 -0.031 16.989 5.323 1.00 0.00 O ATOM 180 CB ASN A 14 0.730 16.116 2.272 1.00 0.00 C ATOM 181 CG ASN A 14 -0.444 17.047 2.038 1.00 0.00 C ATOM 182 OD1 ASN A 14 -0.960 17.660 2.973 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.870 17.158 0.786 1.00 0.00 N ATOM 0 H ASN A 14 -1.318 14.989 3.069 1.00 0.00 H new ATOM 0 HA ASN A 14 1.432 14.650 3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.658 16.683 2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.759 15.367 1.481 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.656 17.771 0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.412 16.631 0.043 1.00 0.00 H new ATOM 190 N PRO A 15 2.183 16.656 5.067 1.00 0.00 N ATOM 191 CA PRO A 15 2.580 17.598 6.118 1.00 0.00 C ATOM 192 C PRO A 15 2.311 19.047 5.729 1.00 0.00 C ATOM 193 O PRO A 15 2.515 19.962 6.527 1.00 0.00 O ATOM 194 CB PRO A 15 4.083 17.353 6.264 1.00 0.00 C ATOM 195 CG PRO A 15 4.510 16.814 4.943 1.00 0.00 C ATOM 196 CD PRO A 15 3.344 16.018 4.425 1.00 0.00 C ATOM 0 HA PRO A 15 2.018 17.443 7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.613 18.275 6.505 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.293 16.646 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.767 17.621 4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.396 16.187 5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.277 16.064 3.338 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.424 14.965 4.695 1.00 0.00 H new ATOM 204 N ASP A 16 1.853 19.250 4.499 1.00 0.00 N ATOM 205 CA ASP A 16 1.555 20.589 4.004 1.00 0.00 C ATOM 206 C ASP A 16 0.176 21.046 4.470 1.00 0.00 C ATOM 207 O ASP A 16 0.044 22.065 5.146 1.00 0.00 O ATOM 208 CB ASP A 16 1.627 20.620 2.477 1.00 0.00 C ATOM 209 CG ASP A 16 0.841 21.772 1.883 1.00 0.00 C ATOM 210 OD1 ASP A 16 1.317 22.923 1.972 1.00 0.00 O ATOM 211 OD2 ASP A 16 -0.249 21.523 1.328 1.00 0.00 O ATOM 0 H ASP A 16 1.680 18.504 3.826 1.00 0.00 H new ATOM 0 HA ASP A 16 2.301 21.273 4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.669 20.697 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.245 19.680 2.079 1.00 0.00 H new ATOM 216 N GLY A 17 -0.850 20.284 4.102 1.00 0.00 N ATOM 217 CA GLY A 17 -2.205 20.628 4.490 1.00 0.00 C ATOM 218 C GLY A 17 -3.240 20.090 3.521 1.00 0.00 C ATOM 219 O GLY A 17 -3.944 20.855 2.865 1.00 0.00 O ATOM 0 H GLY A 17 -0.767 19.435 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.405 20.234 5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.298 21.712 4.551 1.00 0.00 H new ATOM 223 N GLY A 18 -3.330 18.766 3.430 1.00 0.00 N ATOM 224 CA GLY A 18 -4.287 18.148 2.530 1.00 0.00 C ATOM 225 C GLY A 18 -4.367 16.646 2.712 1.00 0.00 C ATOM 226 O GLY A 18 -3.901 16.109 3.717 1.00 0.00 O ATOM 0 H GLY A 18 -2.758 18.111 3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.272 18.584 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.009 18.372 1.500 1.00 0.00 H new ATOM 230 N SER A 19 -4.962 15.964 1.738 1.00 0.00 N ATOM 231 CA SER A 19 -5.106 14.514 1.797 1.00 0.00 C ATOM 232 C SER A 19 -5.456 13.947 0.425 1.00 0.00 C ATOM 233 O SER A 19 -6.471 14.312 -0.170 1.00 0.00 O ATOM 234 CB SER A 19 -6.185 14.130 2.811 1.00 0.00 C ATOM 235 OG SER A 19 -7.460 14.594 2.401 1.00 0.00 O ATOM 0 H SER A 19 -5.352 16.393 0.899 1.00 0.00 H new ATOM 0 HA SER A 19 -4.153 14.090 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.209 13.047 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.938 14.550 3.786 1.00 0.00 H new ATOM 0 HG SER A 19 -7.522 14.559 1.424 1.00 0.00 H new ATOM 241 N TYR A 20 -4.610 13.052 -0.071 1.00 0.00 N ATOM 242 CA TYR A 20 -4.827 12.434 -1.374 1.00 0.00 C ATOM 243 C TYR A 20 -5.345 11.008 -1.222 1.00 0.00 C ATOM 244 O TYR A 20 -5.322 10.440 -0.130 1.00 0.00 O ATOM 245 CB TYR A 20 -3.529 12.433 -2.184 1.00 0.00 C ATOM 246 CG TYR A 20 -2.864 13.789 -2.264 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.583 14.916 -2.642 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.517 13.943 -1.961 1.00 0.00 C ATOM 249 CE1 TYR A 20 -2.980 16.156 -2.717 1.00 0.00 C ATOM 250 CE2 TYR A 20 -0.905 15.179 -2.033 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.641 16.283 -2.412 1.00 0.00 C ATOM 252 OH TYR A 20 -1.036 17.517 -2.484 1.00 0.00 O ATOM 0 H TYR A 20 -3.767 12.738 0.409 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.578 13.019 -1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.833 11.722 -1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.741 12.081 -3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.632 14.821 -2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.938 13.081 -1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.554 17.022 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.143 15.281 -1.794 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.091 17.433 -2.237 1.00 0.00 H new ATOM 262 N ALA A 21 -5.813 10.434 -2.325 1.00 0.00 N ATOM 263 CA ALA A 21 -6.335 9.073 -2.316 1.00 0.00 C ATOM 264 C ALA A 21 -5.515 8.165 -3.226 1.00 0.00 C ATOM 265 O ALA A 21 -5.555 8.296 -4.450 1.00 0.00 O ATOM 266 CB ALA A 21 -7.797 9.066 -2.739 1.00 0.00 C ATOM 0 H ALA A 21 -5.841 10.890 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.260 8.688 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.174 8.043 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.379 9.675 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.887 9.475 -3.745 1.00 0.00 H new ATOM 272 N TYR A 22 -4.773 7.244 -2.621 1.00 0.00 N ATOM 273 CA TYR A 22 -3.941 6.316 -3.378 1.00 0.00 C ATOM 274 C TYR A 22 -4.604 4.945 -3.474 1.00 0.00 C ATOM 275 O TYR A 22 -5.285 4.506 -2.548 1.00 0.00 O ATOM 276 CB TYR A 22 -2.564 6.184 -2.724 1.00 0.00 C ATOM 277 CG TYR A 22 -1.673 7.385 -2.943 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.841 8.546 -2.198 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.661 7.360 -3.895 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.030 9.646 -2.395 1.00 0.00 C ATOM 281 CE2 TYR A 22 0.156 8.455 -4.099 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.032 9.596 -3.346 1.00 0.00 C ATOM 283 OH TYR A 22 0.779 10.689 -3.545 1.00 0.00 O ATOM 0 H TYR A 22 -4.731 7.120 -1.609 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.821 6.713 -4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.693 6.028 -1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.068 5.297 -3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.620 8.589 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.511 6.469 -4.486 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.176 10.541 -1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.937 8.418 -4.844 1.00 0.00 H new ATOM 0 HH TYR A 22 0.869 11.187 -2.706 1.00 0.00 H new ATOM 293 N ALA A 23 -4.397 4.273 -4.602 1.00 0.00 N ATOM 294 CA ALA A 23 -4.972 2.951 -4.820 1.00 0.00 C ATOM 295 C ALA A 23 -3.887 1.879 -4.846 1.00 0.00 C ATOM 296 O ALA A 23 -3.049 1.853 -5.748 1.00 0.00 O ATOM 297 CB ALA A 23 -5.769 2.930 -6.116 1.00 0.00 C ATOM 0 H ALA A 23 -3.836 4.622 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.643 2.732 -3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.193 1.937 -6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.574 3.663 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.112 3.175 -6.951 1.00 0.00 H new ATOM 303 N ILE A 24 -3.910 0.998 -3.852 1.00 0.00 N ATOM 304 CA ILE A 24 -2.928 -0.076 -3.762 1.00 0.00 C ATOM 305 C ILE A 24 -3.503 -1.286 -3.033 1.00 0.00 C ATOM 306 O ILE A 24 -4.312 -1.145 -2.117 1.00 0.00 O ATOM 307 CB ILE A 24 -1.652 0.387 -3.036 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.827 -0.821 -2.587 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.008 1.264 -1.844 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.621 -0.491 -2.301 1.00 0.00 C ATOM 0 H ILE A 24 -4.597 1.006 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.673 -0.357 -4.784 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.052 0.976 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.278 -1.246 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.871 -1.588 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.095 1.583 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.558 2.140 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.627 0.698 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.145 -1.394 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.089 -0.094 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.674 0.253 -1.507 1.00 0.00 H new ATOM 322 N ASN A 25 -3.078 -2.476 -3.447 1.00 0.00 N ATOM 323 CA ASN A 25 -3.550 -3.711 -2.833 1.00 0.00 C ATOM 324 C ASN A 25 -2.985 -3.869 -1.424 1.00 0.00 C ATOM 325 O ASN A 25 -1.827 -3.551 -1.154 1.00 0.00 O ATOM 326 CB ASN A 25 -3.154 -4.915 -3.690 1.00 0.00 C ATOM 327 CG ASN A 25 -4.127 -6.069 -3.551 1.00 0.00 C ATOM 328 OD1 ASN A 25 -3.952 -6.945 -2.704 1.00 0.00 O ATOM 329 ND2 ASN A 25 -5.161 -6.075 -4.385 1.00 0.00 N ATOM 0 H ASN A 25 -2.408 -2.610 -4.204 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.637 -3.662 -2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.102 -4.612 -4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.156 -5.248 -3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.849 -6.826 -4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.267 -5.328 -5.072 1.00 0.00 H new ATOM 336 N PRO A 26 -3.822 -4.372 -0.504 1.00 0.00 N ATOM 337 CA PRO A 26 -3.428 -4.584 0.892 1.00 0.00 C ATOM 338 C PRO A 26 -2.422 -5.720 1.044 1.00 0.00 C ATOM 339 O PRO A 26 -1.691 -5.786 2.032 1.00 0.00 O ATOM 340 CB PRO A 26 -4.746 -4.942 1.582 1.00 0.00 C ATOM 341 CG PRO A 26 -5.600 -5.507 0.499 1.00 0.00 C ATOM 342 CD PRO A 26 -5.216 -4.772 -0.756 1.00 0.00 C ATOM 0 HA PRO A 26 -2.934 -3.708 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.590 -5.666 2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.208 -4.064 2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.434 -6.579 0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.658 -5.369 0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.298 -5.410 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.857 -3.908 -0.928 1.00 0.00 H new ATOM 350 N ASN A 27 -2.388 -6.611 0.059 1.00 0.00 N ATOM 351 CA ASN A 27 -1.471 -7.744 0.084 1.00 0.00 C ATOM 352 C ASN A 27 -0.033 -7.285 -0.138 1.00 0.00 C ATOM 353 O ASN A 27 0.903 -7.844 0.434 1.00 0.00 O ATOM 354 CB ASN A 27 -1.862 -8.767 -0.985 1.00 0.00 C ATOM 355 CG ASN A 27 -3.254 -9.329 -0.765 1.00 0.00 C ATOM 356 OD1 ASN A 27 -3.716 -9.447 0.370 1.00 0.00 O ATOM 357 ND2 ASN A 27 -3.928 -9.680 -1.854 1.00 0.00 N ATOM 0 H ASN A 27 -2.985 -6.570 -0.767 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.537 -8.211 1.067 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.813 -8.298 -1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.139 -9.583 -0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.869 -10.065 -1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.505 -9.564 -2.775 1.00 0.00 H new ATOM 364 N SER A 28 0.134 -6.264 -0.972 1.00 0.00 N ATOM 365 CA SER A 28 1.458 -5.731 -1.272 1.00 0.00 C ATOM 366 C SER A 28 2.119 -5.176 -0.013 1.00 0.00 C ATOM 367 O SER A 28 1.496 -5.098 1.046 1.00 0.00 O ATOM 368 CB SER A 28 1.361 -4.635 -2.335 1.00 0.00 C ATOM 369 OG SER A 28 1.423 -5.185 -3.640 1.00 0.00 O ATOM 0 H SER A 28 -0.631 -5.789 -1.452 1.00 0.00 H new ATOM 0 HA SER A 28 2.072 -6.546 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.427 -4.086 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.172 -3.919 -2.199 1.00 0.00 H new ATOM 0 HG SER A 28 1.357 -4.465 -4.302 1.00 0.00 H new ATOM 375 N PHE A 29 3.385 -4.792 -0.137 1.00 0.00 N ATOM 376 CA PHE A 29 4.132 -4.246 0.989 1.00 0.00 C ATOM 377 C PHE A 29 3.918 -2.739 1.104 1.00 0.00 C ATOM 378 O PHE A 29 3.534 -2.081 0.137 1.00 0.00 O ATOM 379 CB PHE A 29 5.623 -4.550 0.836 1.00 0.00 C ATOM 380 CG PHE A 29 5.915 -5.999 0.565 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.554 -6.975 1.480 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.549 -6.385 -0.605 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.821 -8.308 1.233 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.818 -7.717 -0.858 1.00 0.00 C ATOM 385 CZ PHE A 29 6.453 -8.680 0.062 1.00 0.00 C ATOM 0 H PHE A 29 3.915 -4.849 -1.007 1.00 0.00 H new ATOM 0 HA PHE A 29 3.764 -4.719 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.027 -3.948 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.143 -4.247 1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.058 -6.691 2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.836 -5.636 -1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.536 -9.059 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.313 -8.004 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.661 -9.722 -0.133 1.00 0.00 H new ATOM 395 N ILE A 30 4.169 -2.201 2.293 1.00 0.00 N ATOM 396 CA ILE A 30 4.004 -0.773 2.534 1.00 0.00 C ATOM 397 C ILE A 30 4.845 0.049 1.563 1.00 0.00 C ATOM 398 O ILE A 30 4.426 1.115 1.111 1.00 0.00 O ATOM 399 CB ILE A 30 4.393 -0.398 3.977 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.488 -1.120 4.976 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.311 1.109 4.172 1.00 0.00 C ATOM 402 CD1 ILE A 30 2.032 -0.720 4.872 1.00 0.00 C ATOM 0 H ILE A 30 4.487 -2.732 3.104 1.00 0.00 H new ATOM 0 HA ILE A 30 2.949 -0.546 2.379 1.00 0.00 H new ATOM 0 HB ILE A 30 5.421 -0.713 4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.573 -2.195 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.841 -0.916 5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.589 1.359 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.993 1.603 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.292 1.446 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.450 -1.271 5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.934 0.350 5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.662 -0.950 3.873 1.00 0.00 H new ATOM 414 N LEU A 31 6.032 -0.455 1.244 1.00 0.00 N ATOM 415 CA LEU A 31 6.932 0.232 0.324 1.00 0.00 C ATOM 416 C LEU A 31 6.207 0.613 -0.964 1.00 0.00 C ATOM 417 O LEU A 31 6.304 1.748 -1.429 1.00 0.00 O ATOM 418 CB LEU A 31 8.136 -0.654 0.001 1.00 0.00 C ATOM 419 CG LEU A 31 9.271 0.013 -0.778 1.00 0.00 C ATOM 420 CD1 LEU A 31 10.032 0.982 0.112 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.211 -1.036 -1.354 1.00 0.00 C ATOM 0 H LEU A 31 6.394 -1.336 1.608 1.00 0.00 H new ATOM 0 HA LEU A 31 7.279 1.145 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.541 -1.037 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.786 -1.514 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 31 8.837 0.576 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.835 1.447 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.352 1.753 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.455 0.442 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.012 -0.543 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.638 -1.627 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.657 -1.691 -2.027 1.00 0.00 H new ATOM 433 N GLY A 32 5.480 -0.343 -1.533 1.00 0.00 N ATOM 434 CA GLY A 32 4.748 -0.088 -2.760 1.00 0.00 C ATOM 435 C GLY A 32 3.941 1.194 -2.697 1.00 0.00 C ATOM 436 O GLY A 32 3.960 1.995 -3.632 1.00 0.00 O ATOM 0 H GLY A 32 5.385 -1.290 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.449 -0.032 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.080 -0.925 -2.962 1.00 0.00 H new ATOM 440 N LEU A 33 3.228 1.389 -1.593 1.00 0.00 N ATOM 441 CA LEU A 33 2.409 2.582 -1.412 1.00 0.00 C ATOM 442 C LEU A 33 3.262 3.845 -1.484 1.00 0.00 C ATOM 443 O LEU A 33 2.950 4.776 -2.226 1.00 0.00 O ATOM 444 CB LEU A 33 1.677 2.523 -0.070 1.00 0.00 C ATOM 445 CG LEU A 33 0.977 3.810 0.370 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.154 4.155 -0.587 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.451 3.672 1.791 1.00 0.00 C ATOM 0 H LEU A 33 3.201 0.736 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 33 1.676 2.615 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.934 1.727 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.395 2.242 0.701 1.00 0.00 H new ATOM 0 HG LEU A 33 1.704 4.622 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.641 5.073 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.248 4.296 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.881 3.343 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.044 4.597 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.262 2.848 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.281 3.472 2.468 1.00 0.00 H new ATOM 459 N LYS A 34 4.342 3.868 -0.711 1.00 0.00 N ATOM 460 CA LYS A 34 5.243 5.014 -0.689 1.00 0.00 C ATOM 461 C LYS A 34 5.684 5.386 -2.101 1.00 0.00 C ATOM 462 O LYS A 34 5.519 6.528 -2.531 1.00 0.00 O ATOM 463 CB LYS A 34 6.468 4.709 0.176 1.00 0.00 C ATOM 464 CG LYS A 34 6.244 4.954 1.658 1.00 0.00 C ATOM 465 CD LYS A 34 5.720 3.711 2.356 1.00 0.00 C ATOM 466 CE LYS A 34 6.851 2.771 2.744 1.00 0.00 C ATOM 467 NZ LYS A 34 7.527 3.204 3.998 1.00 0.00 N ATOM 0 H LYS A 34 4.615 3.105 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 34 4.705 5.860 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.756 3.668 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.303 5.322 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.180 5.265 2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.536 5.772 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.164 4.000 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.022 3.191 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.457 1.763 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.580 2.727 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.291 2.538 4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.925 4.156 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.837 3.222 4.776 1.00 0.00 H new ATOM 481 N GLN A 35 6.243 4.416 -2.817 1.00 0.00 N ATOM 482 CA GLN A 35 6.706 4.643 -4.180 1.00 0.00 C ATOM 483 C GLN A 35 5.720 5.513 -4.953 1.00 0.00 C ATOM 484 O GLN A 35 6.115 6.452 -5.642 1.00 0.00 O ATOM 485 CB GLN A 35 6.904 3.310 -4.903 1.00 0.00 C ATOM 486 CG GLN A 35 7.310 3.462 -6.360 1.00 0.00 C ATOM 487 CD GLN A 35 8.777 3.809 -6.523 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.610 2.936 -6.770 1.00 0.00 O ATOM 489 NE2 GLN A 35 9.102 5.089 -6.387 1.00 0.00 N ATOM 0 H GLN A 35 6.386 3.466 -2.476 1.00 0.00 H new ATOM 0 HA GLN A 35 7.661 5.166 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.667 2.733 -4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.978 2.737 -4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.099 2.534 -6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.703 4.240 -6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.380 5.780 -6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.074 5.382 -6.487 1.00 0.00 H new ATOM 498 N GLN A 36 4.435 5.192 -4.832 1.00 0.00 N ATOM 499 CA GLN A 36 3.393 5.944 -5.520 1.00 0.00 C ATOM 500 C GLN A 36 3.411 7.410 -5.099 1.00 0.00 C ATOM 501 O GLN A 36 3.282 8.307 -5.933 1.00 0.00 O ATOM 502 CB GLN A 36 2.020 5.335 -5.230 1.00 0.00 C ATOM 503 CG GLN A 36 1.699 4.122 -6.089 1.00 0.00 C ATOM 504 CD GLN A 36 0.223 3.778 -6.084 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.513 4.137 -7.003 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.219 3.078 -5.045 1.00 0.00 N ATOM 0 H GLN A 36 4.092 4.417 -4.264 1.00 0.00 H new ATOM 0 HA GLN A 36 3.588 5.890 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.973 5.048 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.254 6.094 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.021 4.311 -7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.269 3.265 -5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.426 2.801 -4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.203 2.817 -4.987 1.00 0.00 H new ATOM 515 N ILE A 37 3.571 7.646 -3.801 1.00 0.00 N ATOM 516 CA ILE A 37 3.606 9.003 -3.271 1.00 0.00 C ATOM 517 C ILE A 37 4.819 9.766 -3.793 1.00 0.00 C ATOM 518 O ILE A 37 4.762 10.978 -3.996 1.00 0.00 O ATOM 519 CB ILE A 37 3.636 9.005 -1.731 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.367 8.358 -1.174 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.787 10.425 -1.206 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.520 7.847 0.242 1.00 0.00 C ATOM 0 H ILE A 37 3.678 6.915 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 37 2.696 9.498 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 37 4.495 8.422 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.555 9.085 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.077 7.530 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.807 10.410 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.717 10.854 -1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.946 11.030 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.581 7.401 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.309 7.096 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.780 8.675 0.902 1.00 0.00 H new ATOM 534 N GLU A 38 5.916 9.046 -4.009 1.00 0.00 N ATOM 535 CA GLU A 38 7.143 9.656 -4.508 1.00 0.00 C ATOM 536 C GLU A 38 7.034 9.954 -6.001 1.00 0.00 C ATOM 537 O GLU A 38 7.283 11.076 -6.441 1.00 0.00 O ATOM 538 CB GLU A 38 8.338 8.738 -4.246 1.00 0.00 C ATOM 539 CG GLU A 38 9.588 9.130 -5.017 1.00 0.00 C ATOM 540 CD GLU A 38 9.577 8.619 -6.445 1.00 0.00 C ATOM 541 OE1 GLU A 38 8.997 7.539 -6.683 1.00 0.00 O ATOM 542 OE2 GLU A 38 10.148 9.299 -7.323 1.00 0.00 O ATOM 0 H GLU A 38 5.980 8.041 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 38 7.293 10.596 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.563 8.744 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.065 7.716 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.680 10.216 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.466 8.739 -4.502 1.00 0.00 H new ATOM 549 N ASP A 39 6.660 8.940 -6.774 1.00 0.00 N ATOM 550 CA ASP A 39 6.517 9.092 -8.218 1.00 0.00 C ATOM 551 C ASP A 39 5.405 10.081 -8.552 1.00 0.00 C ATOM 552 O ASP A 39 5.288 10.536 -9.690 1.00 0.00 O ATOM 553 CB ASP A 39 6.226 7.739 -8.868 1.00 0.00 C ATOM 554 CG ASP A 39 7.492 6.993 -9.243 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.289 7.538 -10.034 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.684 5.863 -8.747 1.00 0.00 O ATOM 0 H ASP A 39 6.450 8.005 -6.425 1.00 0.00 H new ATOM 0 HA ASP A 39 7.455 9.481 -8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.638 7.129 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.619 7.891 -9.761 1.00 0.00 H new ATOM 561 N GLN A 40 4.591 10.408 -7.554 1.00 0.00 N ATOM 562 CA GLN A 40 3.487 11.342 -7.744 1.00 0.00 C ATOM 563 C GLN A 40 3.851 12.728 -7.223 1.00 0.00 C ATOM 564 O GLN A 40 3.899 13.694 -7.984 1.00 0.00 O ATOM 565 CB GLN A 40 2.231 10.831 -7.036 1.00 0.00 C ATOM 566 CG GLN A 40 1.504 9.736 -7.800 1.00 0.00 C ATOM 567 CD GLN A 40 0.724 10.271 -8.985 1.00 0.00 C ATOM 568 OE1 GLN A 40 -0.304 10.929 -8.820 1.00 0.00 O ATOM 569 NE2 GLN A 40 1.209 9.991 -10.189 1.00 0.00 N ATOM 0 H GLN A 40 4.675 10.041 -6.606 1.00 0.00 H new ATOM 0 HA GLN A 40 3.287 11.417 -8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.507 10.453 -6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.549 11.666 -6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.228 9.000 -8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.823 9.218 -7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.064 9.442 -10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.726 10.325 -11.023 1.00 0.00 H new ATOM 578 N GLN A 41 4.105 12.818 -5.921 1.00 0.00 N ATOM 579 CA GLN A 41 4.463 14.086 -5.299 1.00 0.00 C ATOM 580 C GLN A 41 5.931 14.418 -5.543 1.00 0.00 C ATOM 581 O GLN A 41 6.314 15.586 -5.599 1.00 0.00 O ATOM 582 CB GLN A 41 4.182 14.039 -3.796 1.00 0.00 C ATOM 583 CG GLN A 41 2.714 13.837 -3.457 1.00 0.00 C ATOM 584 CD GLN A 41 2.449 13.873 -1.965 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.242 12.836 -1.335 1.00 0.00 O ATOM 586 NE2 GLN A 41 2.454 15.070 -1.392 1.00 0.00 N ATOM 0 H GLN A 41 4.069 12.028 -5.277 1.00 0.00 H new ATOM 0 HA GLN A 41 3.853 14.868 -5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.763 13.231 -3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.527 14.968 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.122 14.611 -3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.381 12.880 -3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.630 15.903 -1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.282 15.157 -0.390 1.00 0.00 H new ATOM 595 N GLY A 42 6.751 13.380 -5.689 1.00 0.00 N ATOM 596 CA GLY A 42 8.168 13.582 -5.925 1.00 0.00 C ATOM 597 C GLY A 42 9.010 13.275 -4.702 1.00 0.00 C ATOM 598 O GLY A 42 10.145 12.811 -4.821 1.00 0.00 O ATOM 0 H GLY A 42 6.458 12.404 -5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.489 12.948 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.339 14.615 -6.230 1.00 0.00 H new ATOM 602 N LEU A 43 8.455 13.535 -3.524 1.00 0.00 N ATOM 603 CA LEU A 43 9.162 13.284 -2.273 1.00 0.00 C ATOM 604 C LEU A 43 9.653 11.842 -2.204 1.00 0.00 C ATOM 605 O LEU A 43 8.942 10.901 -2.558 1.00 0.00 O ATOM 606 CB LEU A 43 8.251 13.582 -1.080 1.00 0.00 C ATOM 607 CG LEU A 43 8.947 14.073 0.190 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.033 15.002 0.974 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.379 12.895 1.050 1.00 0.00 C ATOM 0 H LEU A 43 7.517 13.920 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 43 10.028 13.945 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.522 14.333 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.694 12.676 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 43 9.837 14.632 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.545 15.341 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.774 15.863 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.124 14.468 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.873 13.263 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.504 12.309 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.071 12.268 0.487 1.00 0.00 H new ATOM 621 N PRO A 44 10.897 11.662 -1.737 1.00 0.00 N ATOM 622 CA PRO A 44 11.511 10.336 -1.608 1.00 0.00 C ATOM 623 C PRO A 44 10.870 9.506 -0.502 1.00 0.00 C ATOM 624 O PRO A 44 10.194 10.040 0.378 1.00 0.00 O ATOM 625 CB PRO A 44 12.968 10.652 -1.264 1.00 0.00 C ATOM 626 CG PRO A 44 12.924 11.997 -0.625 1.00 0.00 C ATOM 627 CD PRO A 44 11.802 12.738 -1.298 1.00 0.00 C ATOM 0 HA PRO A 44 11.392 9.742 -2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.386 9.906 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.593 10.658 -2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.749 11.914 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.871 12.522 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.306 13.425 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.160 13.331 -2.140 1.00 0.00 H new ATOM 635 N LYS A 45 11.085 8.196 -0.551 1.00 0.00 N ATOM 636 CA LYS A 45 10.531 7.290 0.448 1.00 0.00 C ATOM 637 C LYS A 45 11.307 7.384 1.758 1.00 0.00 C ATOM 638 O LYS A 45 10.723 7.565 2.827 1.00 0.00 O ATOM 639 CB LYS A 45 10.554 5.850 -0.069 1.00 0.00 C ATOM 640 CG LYS A 45 10.145 5.721 -1.526 1.00 0.00 C ATOM 641 CD LYS A 45 10.013 4.265 -1.941 1.00 0.00 C ATOM 642 CE LYS A 45 10.378 4.068 -3.405 1.00 0.00 C ATOM 643 NZ LYS A 45 10.066 2.689 -3.873 1.00 0.00 N ATOM 0 H LYS A 45 11.640 7.737 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 45 9.499 7.585 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.558 5.444 0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.887 5.243 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.196 6.233 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.884 6.215 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.660 3.648 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.990 3.928 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.835 4.790 -4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.440 4.267 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.985 2.684 -4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.828 2.043 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.167 2.375 -3.454 1.00 0.00 H new ATOM 657 N LYS A 46 12.627 7.260 1.668 1.00 0.00 N ATOM 658 CA LYS A 46 13.484 7.333 2.845 1.00 0.00 C ATOM 659 C LYS A 46 13.033 8.452 3.779 1.00 0.00 C ATOM 660 O LYS A 46 13.103 8.319 5.000 1.00 0.00 O ATOM 661 CB LYS A 46 14.939 7.559 2.428 1.00 0.00 C ATOM 662 CG LYS A 46 15.154 8.838 1.637 1.00 0.00 C ATOM 663 CD LYS A 46 16.508 8.846 0.947 1.00 0.00 C ATOM 664 CE LYS A 46 16.429 8.230 -0.442 1.00 0.00 C ATOM 665 NZ LYS A 46 16.016 6.800 -0.392 1.00 0.00 N ATOM 0 H LYS A 46 13.126 7.108 0.792 1.00 0.00 H new ATOM 0 HA LYS A 46 13.407 6.385 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.564 7.584 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.272 6.711 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.365 8.944 0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.080 9.697 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.873 9.870 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.229 8.294 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.719 8.792 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.400 8.311 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.262 6.336 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.508 6.324 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.989 6.740 -0.242 1.00 0.00 H new ATOM 679 N GLN A 47 12.569 9.552 3.195 1.00 0.00 N ATOM 680 CA GLN A 47 12.105 10.693 3.976 1.00 0.00 C ATOM 681 C GLN A 47 10.663 10.492 4.430 1.00 0.00 C ATOM 682 O GLN A 47 10.383 10.434 5.627 1.00 0.00 O ATOM 683 CB GLN A 47 12.220 11.980 3.156 1.00 0.00 C ATOM 684 CG GLN A 47 13.652 12.445 2.952 1.00 0.00 C ATOM 685 CD GLN A 47 14.158 13.299 4.099 1.00 0.00 C ATOM 686 OE1 GLN A 47 13.612 14.366 4.381 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.206 12.832 4.767 1.00 0.00 N ATOM 0 H GLN A 47 12.504 9.677 2.185 1.00 0.00 H new ATOM 0 HA GLN A 47 12.736 10.777 4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.755 11.823 2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.658 12.770 3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.300 11.576 2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.717 13.014 2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.627 11.943 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.590 13.363 5.549 1.00 0.00 H new ATOM 696 N GLN A 48 9.754 10.388 3.467 1.00 0.00 N ATOM 697 CA GLN A 48 8.340 10.195 3.769 1.00 0.00 C ATOM 698 C GLN A 48 8.148 9.060 4.769 1.00 0.00 C ATOM 699 O GLN A 48 8.495 7.912 4.493 1.00 0.00 O ATOM 700 CB GLN A 48 7.559 9.899 2.487 1.00 0.00 C ATOM 701 CG GLN A 48 7.456 8.417 2.166 1.00 0.00 C ATOM 702 CD GLN A 48 6.949 8.159 0.761 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.891 7.557 0.571 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.702 8.613 -0.234 1.00 0.00 N ATOM 0 H GLN A 48 9.970 10.434 2.471 1.00 0.00 H new ATOM 0 HA GLN A 48 7.960 11.115 4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.555 10.313 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.039 10.410 1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.436 7.954 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.788 7.939 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.571 9.107 -0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.411 8.468 -1.201 1.00 0.00 H new ATOM 713 N GLN A 49 7.593 9.389 5.931 1.00 0.00 N ATOM 714 CA GLN A 49 7.356 8.397 6.972 1.00 0.00 C ATOM 715 C GLN A 49 5.888 8.384 7.388 1.00 0.00 C ATOM 716 O GLN A 49 5.387 9.351 7.963 1.00 0.00 O ATOM 717 CB GLN A 49 8.240 8.681 8.188 1.00 0.00 C ATOM 718 CG GLN A 49 7.944 7.783 9.378 1.00 0.00 C ATOM 719 CD GLN A 49 8.757 8.152 10.604 1.00 0.00 C ATOM 720 OE1 GLN A 49 8.847 9.323 10.973 1.00 0.00 O ATOM 721 NE2 GLN A 49 9.354 7.152 11.242 1.00 0.00 N ATOM 0 H GLN A 49 7.299 10.335 6.175 1.00 0.00 H new ATOM 0 HA GLN A 49 7.609 7.417 6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.285 8.560 7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.109 9.721 8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.883 7.843 9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.151 6.748 9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.252 6.196 10.901 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.914 7.340 12.073 1.00 0.00 H new ATOM 730 N LEU A 50 5.205 7.284 7.094 1.00 0.00 N ATOM 731 CA LEU A 50 3.793 7.146 7.437 1.00 0.00 C ATOM 732 C LEU A 50 3.627 6.495 8.806 1.00 0.00 C ATOM 733 O LEU A 50 4.281 5.499 9.114 1.00 0.00 O ATOM 734 CB LEU A 50 3.069 6.316 6.375 1.00 0.00 C ATOM 735 CG LEU A 50 3.346 6.700 4.920 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.010 5.544 3.991 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.555 7.942 4.537 1.00 0.00 C ATOM 0 H LEU A 50 5.605 6.475 6.619 1.00 0.00 H new ATOM 0 HA LEU A 50 3.354 8.143 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.342 5.270 6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.996 6.392 6.552 1.00 0.00 H new ATOM 0 HG LEU A 50 4.408 6.924 4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.213 5.835 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.620 4.679 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.955 5.288 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.764 8.201 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.489 7.745 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.844 8.771 5.183 1.00 0.00 H new ATOM 749 N GLU A 51 2.746 7.064 9.623 1.00 0.00 N ATOM 750 CA GLU A 51 2.494 6.538 10.959 1.00 0.00 C ATOM 751 C GLU A 51 1.020 6.183 11.135 1.00 0.00 C ATOM 752 O GLU A 51 0.149 6.761 10.485 1.00 0.00 O ATOM 753 CB GLU A 51 2.914 7.557 12.021 1.00 0.00 C ATOM 754 CG GLU A 51 3.394 6.924 13.316 1.00 0.00 C ATOM 755 CD GLU A 51 3.117 7.793 14.528 1.00 0.00 C ATOM 756 OE1 GLU A 51 2.040 8.424 14.571 1.00 0.00 O ATOM 757 OE2 GLU A 51 3.976 7.842 15.432 1.00 0.00 O ATOM 0 H GLU A 51 2.195 7.888 9.383 1.00 0.00 H new ATOM 0 HA GLU A 51 3.086 5.631 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.709 8.184 11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.070 8.212 12.238 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.906 5.958 13.447 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.465 6.733 13.248 1.00 0.00 H new ATOM 764 N PHE A 52 0.749 5.227 12.017 1.00 0.00 N ATOM 765 CA PHE A 52 -0.618 4.792 12.277 1.00 0.00 C ATOM 766 C PHE A 52 -0.861 4.627 13.775 1.00 0.00 C ATOM 767 O PHE A 52 -0.346 3.699 14.398 1.00 0.00 O ATOM 768 CB PHE A 52 -0.903 3.474 11.555 1.00 0.00 C ATOM 769 CG PHE A 52 -2.367 3.205 11.353 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.228 3.134 12.437 1.00 0.00 C ATOM 771 CD2 PHE A 52 -2.883 3.023 10.080 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.576 2.888 12.254 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.230 2.776 9.892 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.077 2.707 10.980 1.00 0.00 C ATOM 0 H PHE A 52 1.458 4.739 12.564 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.294 5.559 11.899 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.407 3.486 10.585 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.467 2.654 12.126 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.841 3.272 13.436 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.225 3.075 9.225 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.237 2.837 13.107 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.620 2.637 8.894 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.129 2.512 10.835 1.00 0.00 H new ATOM 784 N GLN A 53 -1.648 5.534 14.344 1.00 0.00 N ATOM 785 CA GLN A 53 -1.957 5.490 15.768 1.00 0.00 C ATOM 786 C GLN A 53 -0.690 5.298 16.595 1.00 0.00 C ATOM 787 O GLN A 53 -0.699 4.603 17.610 1.00 0.00 O ATOM 788 CB GLN A 53 -2.948 4.362 16.062 1.00 0.00 C ATOM 789 CG GLN A 53 -3.728 4.558 17.352 1.00 0.00 C ATOM 790 CD GLN A 53 -4.297 5.957 17.483 1.00 0.00 C ATOM 791 OE1 GLN A 53 -3.909 6.716 18.371 1.00 0.00 O ATOM 792 NE2 GLN A 53 -5.222 6.306 16.597 1.00 0.00 N ATOM 0 H GLN A 53 -2.083 6.308 13.841 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.409 6.442 16.045 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.650 4.281 15.232 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.406 3.418 16.115 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.541 3.834 17.394 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.076 4.354 18.201 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.514 5.645 15.877 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.641 7.235 16.636 1.00 0.00 H new ATOM 801 N GLY A 54 0.399 5.919 16.153 1.00 0.00 N ATOM 802 CA GLY A 54 1.659 5.803 16.864 1.00 0.00 C ATOM 803 C GLY A 54 2.429 4.555 16.480 1.00 0.00 C ATOM 804 O GLY A 54 3.037 3.907 17.331 1.00 0.00 O ATOM 0 H GLY A 54 0.431 6.500 15.315 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.271 6.681 16.658 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.467 5.792 17.937 1.00 0.00 H new ATOM 808 N GLN A 55 2.401 4.216 15.195 1.00 0.00 N ATOM 809 CA GLN A 55 3.101 3.036 14.701 1.00 0.00 C ATOM 810 C GLN A 55 3.899 3.362 13.444 1.00 0.00 C ATOM 811 O GLN A 55 3.409 4.044 12.544 1.00 0.00 O ATOM 812 CB GLN A 55 2.104 1.912 14.409 1.00 0.00 C ATOM 813 CG GLN A 55 1.318 1.464 15.631 1.00 0.00 C ATOM 814 CD GLN A 55 0.557 0.175 15.394 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.973 -0.896 15.839 1.00 0.00 O ATOM 816 NE2 GLN A 55 -0.566 0.270 14.691 1.00 0.00 N ATOM 0 H GLN A 55 1.901 4.741 14.478 1.00 0.00 H new ATOM 0 HA GLN A 55 3.795 2.706 15.474 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.406 2.247 13.641 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.642 1.057 14.000 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.002 1.329 16.469 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.617 2.249 15.915 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.874 1.178 14.341 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.121 -0.565 14.501 1.00 0.00 H new ATOM 825 N VAL A 56 5.133 2.871 13.388 1.00 0.00 N ATOM 826 CA VAL A 56 6.000 3.110 12.241 1.00 0.00 C ATOM 827 C VAL A 56 5.817 2.030 11.179 1.00 0.00 C ATOM 828 O VAL A 56 6.252 0.892 11.354 1.00 0.00 O ATOM 829 CB VAL A 56 7.482 3.158 12.657 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.366 3.456 11.456 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.694 4.190 13.754 1.00 0.00 C ATOM 0 H VAL A 56 5.555 2.305 14.124 1.00 0.00 H new ATOM 0 HA VAL A 56 5.715 4.077 11.826 1.00 0.00 H new ATOM 0 HB VAL A 56 7.762 2.180 13.050 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.409 3.486 11.771 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.235 2.676 10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.088 4.420 11.030 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.747 4.210 14.036 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.396 5.174 13.391 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.091 3.926 14.623 1.00 0.00 H new ATOM 841 N LEU A 57 5.170 2.396 10.078 1.00 0.00 N ATOM 842 CA LEU A 57 4.929 1.459 8.986 1.00 0.00 C ATOM 843 C LEU A 57 6.200 1.230 8.174 1.00 0.00 C ATOM 844 O LEU A 57 6.545 2.031 7.306 1.00 0.00 O ATOM 845 CB LEU A 57 3.816 1.981 8.076 1.00 0.00 C ATOM 846 CG LEU A 57 2.574 2.528 8.781 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.608 3.128 7.771 1.00 0.00 C ATOM 848 CD2 LEU A 57 1.893 1.433 9.588 1.00 0.00 C ATOM 0 H LEU A 57 4.803 3.334 9.918 1.00 0.00 H new ATOM 0 HA LEU A 57 4.620 0.507 9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.229 2.769 7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.507 1.173 7.413 1.00 0.00 H new ATOM 0 HG LEU A 57 2.886 3.316 9.467 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.730 3.512 8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.099 3.942 7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.302 2.361 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.011 1.840 10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.594 0.623 8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.585 1.050 10.338 1.00 0.00 H new ATOM 860 N GLN A 58 6.890 0.131 8.462 1.00 0.00 N ATOM 861 CA GLN A 58 8.122 -0.203 7.757 1.00 0.00 C ATOM 862 C GLN A 58 7.839 -0.544 6.298 1.00 0.00 C ATOM 863 O GLN A 58 6.699 -0.825 5.926 1.00 0.00 O ATOM 864 CB GLN A 58 8.823 -1.378 8.441 1.00 0.00 C ATOM 865 CG GLN A 58 8.956 -1.215 9.946 1.00 0.00 C ATOM 866 CD GLN A 58 10.144 -0.357 10.338 1.00 0.00 C ATOM 867 OE1 GLN A 58 11.121 -0.850 10.901 1.00 0.00 O ATOM 868 NE2 GLN A 58 10.065 0.934 10.040 1.00 0.00 N ATOM 0 H GLN A 58 6.617 -0.543 9.178 1.00 0.00 H new ATOM 0 HA GLN A 58 8.776 0.669 7.787 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.269 -2.293 8.231 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.816 -1.500 8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.044 -0.768 10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.055 -2.198 10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.235 1.300 9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.834 1.560 10.278 1.00 0.00 H new ATOM 877 N ASP A 59 8.882 -0.517 5.476 1.00 0.00 N ATOM 878 CA ASP A 59 8.745 -0.823 4.057 1.00 0.00 C ATOM 879 C ASP A 59 8.475 -2.310 3.846 1.00 0.00 C ATOM 880 O ASP A 59 7.478 -2.688 3.231 1.00 0.00 O ATOM 881 CB ASP A 59 10.009 -0.410 3.300 1.00 0.00 C ATOM 882 CG ASP A 59 10.703 0.777 3.938 1.00 0.00 C ATOM 883 OD1 ASP A 59 11.161 0.645 5.093 1.00 0.00 O ATOM 884 OD2 ASP A 59 10.789 1.837 3.284 1.00 0.00 O ATOM 0 H ASP A 59 9.832 -0.286 5.768 1.00 0.00 H new ATOM 0 HA ASP A 59 7.897 -0.259 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.699 -1.253 3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.749 -0.165 2.270 1.00 0.00 H new ATOM 889 N TRP A 60 9.369 -3.147 4.359 1.00 0.00 N ATOM 890 CA TRP A 60 9.227 -4.593 4.225 1.00 0.00 C ATOM 891 C TRP A 60 7.865 -5.055 4.731 1.00 0.00 C ATOM 892 O TRP A 60 7.295 -6.017 4.216 1.00 0.00 O ATOM 893 CB TRP A 60 10.340 -5.308 4.993 1.00 0.00 C ATOM 894 CG TRP A 60 9.973 -5.630 6.410 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.236 -6.694 6.843 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.324 -4.879 7.577 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.107 -6.651 8.211 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.766 -5.548 8.685 1.00 0.00 C ATOM 899 CE3 TRP A 60 11.056 -3.710 7.796 1.00 0.00 C ATOM 900 CZ2 TRP A 60 9.919 -5.083 9.989 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.206 -3.249 9.090 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.640 -3.935 10.173 1.00 0.00 C ATOM 0 H TRP A 60 10.200 -2.850 4.871 1.00 0.00 H new ATOM 0 HA TRP A 60 9.305 -4.845 3.167 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.595 -6.231 4.473 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.233 -4.683 4.990 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.816 -7.457 6.205 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.602 -7.330 8.780 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.497 -3.175 6.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.484 -5.610 10.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.769 -2.345 9.270 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.776 -3.550 11.173 1.00 0.00 H new ATOM 913 N LEU A 61 7.349 -4.364 5.742 1.00 0.00 N ATOM 914 CA LEU A 61 6.053 -4.704 6.318 1.00 0.00 C ATOM 915 C LEU A 61 4.940 -4.542 5.288 1.00 0.00 C ATOM 916 O LEU A 61 5.139 -3.941 4.233 1.00 0.00 O ATOM 917 CB LEU A 61 5.768 -3.825 7.537 1.00 0.00 C ATOM 918 CG LEU A 61 6.515 -4.193 8.819 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.157 -3.230 9.941 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.205 -5.626 9.225 1.00 0.00 C ATOM 0 H LEU A 61 7.808 -3.565 6.179 1.00 0.00 H new ATOM 0 HA LEU A 61 6.084 -5.748 6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.012 -2.794 7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.698 -3.858 7.742 1.00 0.00 H new ATOM 0 HG LEU A 61 7.585 -4.114 8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.698 -3.508 10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.431 -2.216 9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.085 -3.276 10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.746 -5.870 10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.134 -5.732 9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.513 -6.304 8.429 1.00 0.00 H new ATOM 932 N GLY A 62 3.766 -5.080 5.603 1.00 0.00 N ATOM 933 CA GLY A 62 2.637 -4.982 4.695 1.00 0.00 C ATOM 934 C GLY A 62 1.510 -4.141 5.261 1.00 0.00 C ATOM 935 O GLY A 62 1.531 -3.771 6.435 1.00 0.00 O ATOM 0 H GLY A 62 3.576 -5.582 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.970 -4.550 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.264 -5.982 4.474 1.00 0.00 H new ATOM 939 N LEU A 63 0.523 -3.838 4.424 1.00 0.00 N ATOM 940 CA LEU A 63 -0.618 -3.034 4.847 1.00 0.00 C ATOM 941 C LEU A 63 -1.501 -3.810 5.819 1.00 0.00 C ATOM 942 O LEU A 63 -1.956 -3.271 6.827 1.00 0.00 O ATOM 943 CB LEU A 63 -1.438 -2.598 3.632 1.00 0.00 C ATOM 944 CG LEU A 63 -0.982 -1.313 2.940 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.033 -1.624 1.851 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.175 -0.566 2.362 1.00 0.00 C ATOM 0 H LEU A 63 0.490 -4.137 3.449 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.238 -2.149 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.423 -3.406 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.474 -2.470 3.945 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.503 -0.674 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.346 -0.697 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.901 -2.115 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.419 -2.283 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.831 0.346 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.682 -1.199 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.867 -0.309 3.164 1.00 0.00 H new ATOM 958 N GLY A 64 -1.738 -5.081 5.509 1.00 0.00 N ATOM 959 CA GLY A 64 -2.564 -5.912 6.366 1.00 0.00 C ATOM 960 C GLY A 64 -1.943 -6.134 7.731 1.00 0.00 C ATOM 961 O GLY A 64 -2.628 -6.530 8.675 1.00 0.00 O ATOM 0 H GLY A 64 -1.373 -5.550 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.542 -5.445 6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.728 -6.876 5.884 1.00 0.00 H new ATOM 965 N ILE A 65 -0.643 -5.882 7.836 1.00 0.00 N ATOM 966 CA ILE A 65 0.070 -6.058 9.095 1.00 0.00 C ATOM 967 C ILE A 65 -0.537 -5.194 10.196 1.00 0.00 C ATOM 968 O ILE A 65 -0.773 -5.664 11.309 1.00 0.00 O ATOM 969 CB ILE A 65 1.563 -5.710 8.950 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.229 -6.639 7.932 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.262 -5.805 10.298 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.849 -8.093 8.102 1.00 0.00 C ATOM 0 H ILE A 65 -0.062 -5.555 7.064 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.025 -7.109 9.367 1.00 0.00 H new ATOM 0 HB ILE A 65 1.649 -4.685 8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.959 -6.316 6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.311 -6.542 8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.317 -5.556 10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.801 -5.107 10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.170 -6.820 10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.358 -8.693 7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.144 -8.433 9.095 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.771 -8.203 7.987 1.00 0.00 H new ATOM 984 N TYR A 66 -0.790 -3.930 9.876 1.00 0.00 N ATOM 985 CA TYR A 66 -1.370 -3.000 10.838 1.00 0.00 C ATOM 986 C TYR A 66 -2.884 -2.916 10.670 1.00 0.00 C ATOM 987 O TYR A 66 -3.480 -1.853 10.838 1.00 0.00 O ATOM 988 CB TYR A 66 -0.749 -1.611 10.674 1.00 0.00 C ATOM 989 CG TYR A 66 0.728 -1.566 10.996 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.169 -1.427 12.306 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.682 -1.664 9.991 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.517 -1.384 12.605 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.032 -1.624 10.281 1.00 0.00 C ATOM 994 CZ TYR A 66 3.444 -1.483 11.589 1.00 0.00 C ATOM 995 OH TYR A 66 4.788 -1.443 11.883 1.00 0.00 O ATOM 0 H TYR A 66 -0.603 -3.526 8.958 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.154 -3.371 11.840 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.899 -1.274 9.648 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.275 -0.908 11.321 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.446 -1.351 13.104 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.363 -1.773 8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.843 -1.273 13.629 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.761 -1.703 9.488 1.00 0.00 H new ATOM 0 HH TYR A 66 5.153 -0.571 11.625 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.499 -4.046 10.337 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.938 -4.080 10.152 1.00 0.00 C ATOM 1007 C GLY A 67 -5.451 -2.885 9.373 1.00 0.00 C ATOM 1008 O GLY A 67 -6.547 -2.388 9.636 1.00 0.00 O ATOM 0 H GLY A 67 -3.027 -4.938 10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.212 -4.996 9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.426 -4.111 11.126 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.658 -2.422 8.413 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.038 -1.277 7.594 1.00 0.00 C ATOM 1014 C ILE A 68 -6.029 -1.683 6.509 1.00 0.00 C ATOM 1015 O ILE A 68 -5.820 -2.668 5.802 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.809 -0.625 6.934 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.873 -0.052 8.000 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.245 0.464 5.964 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.535 0.394 7.454 1.00 0.00 C ATOM 0 H ILE A 68 -3.748 -2.822 8.183 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.509 -0.554 8.260 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.268 -1.388 6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.360 0.796 8.482 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.709 -0.805 8.770 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.366 0.916 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.876 0.029 5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.806 1.228 6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.924 0.789 8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.027 -0.455 6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.688 1.170 6.705 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.107 -0.915 6.383 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.130 -1.195 5.382 1.00 0.00 C ATOM 1033 C GLN A 69 -8.575 0.087 4.686 1.00 0.00 C ATOM 1034 O GLN A 69 -8.275 1.190 5.143 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.334 -1.881 6.030 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.031 -3.278 6.548 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.265 -3.984 7.075 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -10.956 -4.686 6.335 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -10.549 -3.803 8.359 1.00 0.00 N ATOM 0 H GLN A 69 -7.294 -0.095 6.961 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.699 -1.862 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.692 -1.266 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.144 -1.940 5.302 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.592 -3.872 5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.287 -3.214 7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.949 -3.213 8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.367 -4.254 8.769 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.290 -0.066 3.577 1.00 0.00 N ATOM 1049 CA ASP A 70 -9.777 1.080 2.817 1.00 0.00 C ATOM 1050 C ASP A 70 -10.406 2.118 3.742 1.00 0.00 C ATOM 1051 O ASP A 70 -10.795 1.806 4.867 1.00 0.00 O ATOM 1052 CB ASP A 70 -10.796 0.629 1.770 1.00 0.00 C ATOM 1053 CG ASP A 70 -11.984 -0.083 2.387 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -11.808 -0.723 3.445 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.090 -0.002 1.812 1.00 0.00 O ATOM 0 H ASP A 70 -9.545 -0.972 3.184 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.926 1.537 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.146 1.497 1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.309 -0.035 1.056 1.00 0.00 H new ATOM 1060 N SER A 71 -10.500 3.353 3.260 1.00 0.00 N ATOM 1061 CA SER A 71 -11.076 4.438 4.045 1.00 0.00 C ATOM 1062 C SER A 71 -10.256 4.691 5.307 1.00 0.00 C ATOM 1063 O SER A 71 -10.806 4.954 6.376 1.00 0.00 O ATOM 1064 CB SER A 71 -12.523 4.112 4.421 1.00 0.00 C ATOM 1065 OG SER A 71 -13.233 3.592 3.310 1.00 0.00 O ATOM 0 H SER A 71 -10.185 3.627 2.330 1.00 0.00 H new ATOM 0 HA SER A 71 -11.061 5.341 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.536 3.389 5.236 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.019 5.012 4.785 1.00 0.00 H new ATOM 0 HG SER A 71 -14.154 3.390 3.576 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.937 4.610 5.173 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.039 4.830 6.301 1.00 0.00 C ATOM 1073 C ASP A 72 -7.258 6.129 6.127 1.00 0.00 C ATOM 1074 O ASP A 72 -7.210 6.697 5.036 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.072 3.654 6.448 1.00 0.00 C ATOM 1076 CG ASP A 72 -7.632 2.550 7.323 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -8.869 2.375 7.338 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -6.834 1.861 7.991 1.00 0.00 O ATOM 0 H ASP A 72 -8.466 4.394 4.295 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.643 4.908 7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.842 3.251 5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.134 4.010 6.873 1.00 0.00 H new ATOM 1083 N THR A 73 -6.646 6.595 7.212 1.00 0.00 N ATOM 1084 CA THR A 73 -5.869 7.828 7.181 1.00 0.00 C ATOM 1085 C THR A 73 -4.419 7.573 7.575 1.00 0.00 C ATOM 1086 O THR A 73 -4.143 6.856 8.537 1.00 0.00 O ATOM 1087 CB THR A 73 -6.465 8.892 8.121 1.00 0.00 C ATOM 1088 OG1 THR A 73 -7.829 9.149 7.768 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.666 10.184 8.052 1.00 0.00 C ATOM 0 H THR A 73 -6.674 6.137 8.123 1.00 0.00 H new ATOM 0 HA THR A 73 -5.905 8.199 6.157 1.00 0.00 H new ATOM 0 HB THR A 73 -6.420 8.510 9.141 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.201 9.825 8.372 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.106 10.920 8.724 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.635 9.991 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.683 10.568 7.032 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.495 8.166 6.826 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.071 8.004 7.098 1.00 0.00 C ATOM 1099 C LEU A 74 -1.393 9.358 7.276 1.00 0.00 C ATOM 1100 O LEU A 74 -1.529 10.247 6.435 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.399 7.230 5.962 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.000 5.863 5.634 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.384 5.300 4.362 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -1.801 4.900 6.796 1.00 0.00 C ATOM 0 H LEU A 74 -3.706 8.763 6.026 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.966 7.441 8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.431 7.844 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.348 7.091 6.216 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.070 5.988 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.824 4.327 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.578 5.980 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.308 5.190 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.235 3.932 6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.735 4.780 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.290 5.297 7.685 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.660 9.508 8.375 1.00 0.00 N ATOM 1117 CA ILE A 75 0.041 10.753 8.661 1.00 0.00 C ATOM 1118 C ILE A 75 1.397 10.792 7.964 1.00 0.00 C ATOM 1119 O ILE A 75 2.221 9.893 8.133 1.00 0.00 O ATOM 1120 CB ILE A 75 0.249 10.946 10.175 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.086 10.840 10.913 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.908 12.290 10.451 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.148 11.776 10.380 1.00 0.00 C ATOM 0 H ILE A 75 -0.537 8.783 9.081 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.583 11.562 8.282 1.00 0.00 H new ATOM 0 HB ILE A 75 0.908 10.158 10.540 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.449 9.815 10.844 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.925 11.051 11.970 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.049 12.413 11.525 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.876 12.330 9.951 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.272 13.091 10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.067 11.646 10.951 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.805 12.806 10.474 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.338 11.551 9.330 1.00 0.00 H new ATOM 1135 N LEU A 76 1.623 11.841 7.181 1.00 0.00 N ATOM 1136 CA LEU A 76 2.880 12.000 6.458 1.00 0.00 C ATOM 1137 C LEU A 76 3.724 13.113 7.072 1.00 0.00 C ATOM 1138 O LEU A 76 3.272 14.252 7.195 1.00 0.00 O ATOM 1139 CB LEU A 76 2.609 12.305 4.984 1.00 0.00 C ATOM 1140 CG LEU A 76 3.839 12.401 4.081 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.429 11.021 3.833 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.483 13.076 2.764 1.00 0.00 C ATOM 0 H LEU A 76 0.952 12.594 7.030 1.00 0.00 H new ATOM 0 HA LEU A 76 3.434 11.064 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.952 11.530 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.064 13.247 4.923 1.00 0.00 H new ATOM 0 HG LEU A 76 4.590 13.009 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.303 11.110 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.722 10.575 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.684 10.389 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.371 13.136 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.714 12.496 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.109 14.081 2.960 1.00 0.00 H new ATOM 1154 N SER A 77 4.951 12.776 7.453 1.00 0.00 N ATOM 1155 CA SER A 77 5.858 13.747 8.056 1.00 0.00 C ATOM 1156 C SER A 77 7.287 13.531 7.566 1.00 0.00 C ATOM 1157 O SER A 77 7.794 12.410 7.568 1.00 0.00 O ATOM 1158 CB SER A 77 5.808 13.644 9.581 1.00 0.00 C ATOM 1159 OG SER A 77 4.705 14.362 10.105 1.00 0.00 O ATOM 0 H SER A 77 5.341 11.839 7.355 1.00 0.00 H new ATOM 0 HA SER A 77 5.536 14.744 7.756 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.737 12.597 9.876 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.734 14.033 10.005 1.00 0.00 H new ATOM 0 HG SER A 77 4.040 14.500 9.399 1.00 0.00 H new ATOM 1165 N LYS A 78 7.932 14.615 7.148 1.00 0.00 N ATOM 1166 CA LYS A 78 9.303 14.548 6.656 1.00 0.00 C ATOM 1167 C LYS A 78 10.282 14.324 7.804 1.00 0.00 C ATOM 1168 O LYS A 78 10.118 14.877 8.892 1.00 0.00 O ATOM 1169 CB LYS A 78 9.662 15.835 5.910 1.00 0.00 C ATOM 1170 CG LYS A 78 10.698 15.636 4.817 1.00 0.00 C ATOM 1171 CD LYS A 78 11.248 16.962 4.321 1.00 0.00 C ATOM 1172 CE LYS A 78 11.817 16.839 2.916 1.00 0.00 C ATOM 1173 NZ LYS A 78 12.343 18.139 2.414 1.00 0.00 N ATOM 0 H LYS A 78 7.527 15.551 7.140 1.00 0.00 H new ATOM 0 HA LYS A 78 9.376 13.705 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.757 16.254 5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.037 16.567 6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.515 15.022 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.250 15.093 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.457 17.711 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.026 17.311 5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.616 16.098 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.042 16.476 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.722 18.013 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.575 18.840 2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.100 18.473 3.044 1.00 0.00 H new ATOM 1187 N LYS A 79 11.302 13.509 7.555 1.00 0.00 N ATOM 1188 CA LYS A 79 12.310 13.213 8.566 1.00 0.00 C ATOM 1189 C LYS A 79 13.032 14.483 9.003 1.00 0.00 C ATOM 1190 O LYS A 79 13.313 15.362 8.188 1.00 0.00 O ATOM 1191 CB LYS A 79 13.321 12.199 8.025 1.00 0.00 C ATOM 1192 CG LYS A 79 12.697 10.878 7.613 1.00 0.00 C ATOM 1193 CD LYS A 79 12.670 9.890 8.767 1.00 0.00 C ATOM 1194 CE LYS A 79 12.168 8.525 8.321 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.270 7.674 7.793 1.00 0.00 N ATOM 0 H LYS A 79 11.452 13.042 6.661 1.00 0.00 H new ATOM 0 HA LYS A 79 11.805 12.787 9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.833 12.633 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.078 12.012 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.681 11.050 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.259 10.453 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.671 9.791 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.028 10.273 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.691 8.021 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.406 8.652 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.094 6.681 8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.313 7.764 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.174 7.982 8.205 1.00 0.00 H new