USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -165:sc= 0 (180deg=-0.308) USER MOD Single : A 14 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.15) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 73:sc= 0.605 USER MOD Single : A 21 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -3.99! C(o=-4.6!,f=-4!) USER MOD Single : A 30 ASN : amide:sc= -2.07 K(o=-2.1,f=-3.1!) USER MOD Single : A 31 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-1.9) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 158:sc= -0.0922 (180deg=-0.99) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.49 X(o=-1.5,f=-1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.639 X(o=-0.64,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ -127:sc= 0.968 (180deg=-1.3!) USER MOD Single : A 55 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.1!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.957 K(o=-0.96,f=-2.7!) USER MOD Single : A 64 GLN : amide:sc= -0.624 X(o=-0.62,f=-1.1) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -5.8! C(o=-6.6!,f=-5.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -1.31 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.494 -5.712 -7.739 1.00 0.00 N ATOM 60 CA GLY A 7 -11.825 -6.867 -7.164 1.00 0.00 C ATOM 61 C GLY A 7 -10.540 -6.453 -6.442 1.00 0.00 C ATOM 62 O GLY A 7 -10.570 -6.113 -5.261 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.494 -7.368 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.590 -7.584 -7.950 1.00 0.00 H new ATOM 66 N PRO A 8 -9.414 -6.498 -7.203 1.00 0.00 N ATOM 67 CA PRO A 8 -8.122 -6.132 -6.649 1.00 0.00 C ATOM 68 C PRO A 8 -8.000 -4.614 -6.497 1.00 0.00 C ATOM 69 O PRO A 8 -8.228 -3.871 -7.450 1.00 0.00 O ATOM 70 CB PRO A 8 -7.101 -6.715 -7.613 1.00 0.00 C ATOM 71 CG PRO A 8 -7.854 -6.982 -8.906 1.00 0.00 C ATOM 72 CD PRO A 8 -9.341 -6.896 -8.606 1.00 0.00 C ATOM 0 HA PRO A 8 -7.970 -6.523 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.277 -6.020 -7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.669 -7.633 -7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.575 -6.253 -9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.600 -7.966 -9.299 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.833 -6.168 -9.250 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.834 -7.854 -8.772 1.00 0.00 H new ATOM 80 N LYS A 9 -7.642 -4.199 -5.291 1.00 0.00 N ATOM 81 CA LYS A 9 -7.488 -2.784 -5.001 1.00 0.00 C ATOM 82 C LYS A 9 -6.013 -2.399 -5.131 1.00 0.00 C ATOM 83 O LYS A 9 -5.135 -3.259 -5.067 1.00 0.00 O ATOM 84 CB LYS A 9 -8.094 -2.447 -3.637 1.00 0.00 C ATOM 85 CG LYS A 9 -7.091 -2.708 -2.512 1.00 0.00 C ATOM 86 CD LYS A 9 -6.681 -1.402 -1.828 1.00 0.00 C ATOM 87 CE LYS A 9 -7.428 -1.218 -0.506 1.00 0.00 C ATOM 88 NZ LYS A 9 -6.517 -0.690 0.535 1.00 0.00 N ATOM 0 H LYS A 9 -7.454 -4.819 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.039 -2.185 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.401 -1.401 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.991 -3.045 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.530 -3.384 -1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.208 -3.204 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.606 -1.405 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.890 -0.560 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.265 -0.534 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.846 -2.171 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.040 -0.571 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.732 -1.357 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.138 0.229 0.231 1.00 0.00 H new ATOM 102 N LYS A 10 -5.785 -1.106 -5.311 1.00 0.00 N ATOM 103 CA LYS A 10 -4.431 -0.597 -5.450 1.00 0.00 C ATOM 104 C LYS A 10 -3.670 -0.822 -4.142 1.00 0.00 C ATOM 105 O LYS A 10 -3.981 -0.205 -3.124 1.00 0.00 O ATOM 106 CB LYS A 10 -4.453 0.863 -5.906 1.00 0.00 C ATOM 107 CG LYS A 10 -3.123 1.254 -6.555 1.00 0.00 C ATOM 108 CD LYS A 10 -3.348 1.854 -7.945 1.00 0.00 C ATOM 109 CE LYS A 10 -2.446 1.183 -8.983 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.158 2.113 -10.097 1.00 0.00 N ATOM 0 H LYS A 10 -6.515 -0.396 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.896 -1.142 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.266 1.014 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.650 1.512 -5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.604 1.975 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.480 0.377 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.392 1.733 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.146 2.925 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.514 0.868 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.929 0.285 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.545 1.642 -10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.049 2.393 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.677 2.958 -9.728 1.00 0.00 H new ATOM 124 N PRO A 11 -2.660 -1.730 -4.214 1.00 0.00 N ATOM 125 CA PRO A 11 -1.852 -2.044 -3.048 1.00 0.00 C ATOM 126 C PRO A 11 -0.862 -0.917 -2.748 1.00 0.00 C ATOM 127 O PRO A 11 -0.678 -0.014 -3.563 1.00 0.00 O ATOM 128 CB PRO A 11 -1.169 -3.360 -3.386 1.00 0.00 C ATOM 129 CG PRO A 11 -1.253 -3.498 -4.897 1.00 0.00 C ATOM 130 CD PRO A 11 -2.263 -2.480 -5.402 1.00 0.00 C ATOM 0 HA PRO A 11 -2.445 -2.140 -2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.132 -3.359 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.663 -4.195 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.277 -3.325 -5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.558 -4.508 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.823 -1.826 -6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.120 -2.969 -5.866 1.00 0.00 H new ATOM 138 N PRO A 12 -0.234 -1.009 -1.545 1.00 0.00 N ATOM 139 CA PRO A 12 0.732 -0.007 -1.127 1.00 0.00 C ATOM 140 C PRO A 12 2.058 -0.181 -1.871 1.00 0.00 C ATOM 141 O PRO A 12 2.121 -0.883 -2.878 1.00 0.00 O ATOM 142 CB PRO A 12 0.866 -0.193 0.376 1.00 0.00 C ATOM 143 CG PRO A 12 0.328 -1.583 0.674 1.00 0.00 C ATOM 144 CD PRO A 12 -0.427 -2.064 -0.555 1.00 0.00 C ATOM 0 HA PRO A 12 0.414 1.009 -1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.906 -0.101 0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.302 0.568 0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.144 -2.265 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.331 -1.559 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.037 -3.017 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.484 -2.214 -0.337 1.00 0.00 H new ATOM 152 N MET A 13 3.084 0.472 -1.345 1.00 0.00 N ATOM 153 CA MET A 13 4.405 0.399 -1.947 1.00 0.00 C ATOM 154 C MET A 13 5.497 0.632 -0.901 1.00 0.00 C ATOM 155 O MET A 13 5.233 1.185 0.165 1.00 0.00 O ATOM 156 CB MET A 13 4.522 1.452 -3.051 1.00 0.00 C ATOM 157 CG MET A 13 3.943 0.932 -4.368 1.00 0.00 C ATOM 158 SD MET A 13 5.047 1.322 -5.716 1.00 0.00 S ATOM 159 CE MET A 13 5.039 3.104 -5.618 1.00 0.00 C ATOM 0 H MET A 13 3.027 1.054 -0.509 1.00 0.00 H new ATOM 0 HA MET A 13 4.538 -0.598 -2.368 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.996 2.358 -2.751 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.569 1.722 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.794 -0.146 -4.309 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.965 1.379 -4.547 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.454 3.521 -6.536 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.016 3.457 -5.490 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.642 3.424 -4.768 1.00 0.00 H new ATOM 169 N ASN A 14 6.701 0.198 -1.243 1.00 0.00 N ATOM 170 CA ASN A 14 7.835 0.352 -0.348 1.00 0.00 C ATOM 171 C ASN A 14 7.564 -0.416 0.948 1.00 0.00 C ATOM 172 O ASN A 14 8.052 -1.531 1.127 1.00 0.00 O ATOM 173 CB ASN A 14 8.057 1.822 0.012 1.00 0.00 C ATOM 174 CG ASN A 14 8.717 2.576 -1.145 1.00 0.00 C ATOM 175 OD1 ASN A 14 9.738 2.175 -1.679 1.00 0.00 O ATOM 176 ND2 ASN A 14 8.078 3.686 -1.501 1.00 0.00 N ATOM 0 H ASN A 14 6.916 -0.261 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 14 8.720 -0.033 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.103 2.288 0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.684 1.892 0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.438 4.259 -2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.228 3.964 -1.011 1.00 0.00 H new ATOM 183 N GLY A 15 6.787 0.211 1.818 1.00 0.00 N ATOM 184 CA GLY A 15 6.445 -0.399 3.092 1.00 0.00 C ATOM 185 C GLY A 15 5.916 0.647 4.076 1.00 0.00 C ATOM 186 O GLY A 15 5.138 0.323 4.972 1.00 0.00 O ATOM 0 H GLY A 15 6.384 1.136 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.693 -1.173 2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.324 -0.888 3.513 1.00 0.00 H new ATOM 190 N TYR A 16 6.361 1.879 3.877 1.00 0.00 N ATOM 191 CA TYR A 16 5.942 2.974 4.736 1.00 0.00 C ATOM 192 C TYR A 16 4.460 3.293 4.533 1.00 0.00 C ATOM 193 O TYR A 16 3.727 3.496 5.501 1.00 0.00 O ATOM 194 CB TYR A 16 6.775 4.185 4.311 1.00 0.00 C ATOM 195 CG TYR A 16 6.281 5.513 4.887 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.168 5.673 6.253 1.00 0.00 C ATOM 197 CD2 TYR A 16 5.948 6.551 4.041 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.703 6.923 6.796 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.483 7.801 4.584 1.00 0.00 C ATOM 200 CZ TYR A 16 5.383 7.925 5.934 1.00 0.00 C ATOM 201 OH TYR A 16 4.944 9.106 6.447 1.00 0.00 O ATOM 0 H TYR A 16 7.007 2.143 3.134 1.00 0.00 H new ATOM 0 HA TYR A 16 6.085 2.716 5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.808 4.029 4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.774 4.250 3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.428 4.860 6.915 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.036 6.426 2.972 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.611 7.062 7.863 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.220 8.622 3.933 1.00 0.00 H new ATOM 0 HH TYR A 16 4.754 9.730 5.716 1.00 0.00 H new ATOM 211 N GLN A 17 4.062 3.328 3.270 1.00 0.00 N ATOM 212 CA GLN A 17 2.680 3.620 2.929 1.00 0.00 C ATOM 213 C GLN A 17 1.743 2.620 3.609 1.00 0.00 C ATOM 214 O GLN A 17 0.601 2.950 3.927 1.00 0.00 O ATOM 215 CB GLN A 17 2.477 3.617 1.413 1.00 0.00 C ATOM 216 CG GLN A 17 2.959 4.930 0.793 1.00 0.00 C ATOM 217 CD GLN A 17 2.417 5.098 -0.628 1.00 0.00 C ATOM 218 OE1 GLN A 17 2.318 3.959 -1.307 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 2.108 6.189 -1.078 1.00 0.00 N flip ATOM 0 H GLN A 17 4.672 3.159 2.470 1.00 0.00 H new ATOM 0 HA GLN A 17 2.440 4.619 3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.020 2.781 0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.422 3.468 1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.636 5.768 1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.049 4.949 0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.209 7.025 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.749 6.265 -2.030 1.00 0.00 H new ATOM 228 N LYS A 18 2.260 1.417 3.812 1.00 0.00 N ATOM 229 CA LYS A 18 1.484 0.367 4.449 1.00 0.00 C ATOM 230 C LYS A 18 1.199 0.757 5.901 1.00 0.00 C ATOM 231 O LYS A 18 0.042 0.892 6.295 1.00 0.00 O ATOM 232 CB LYS A 18 2.188 -0.984 4.302 1.00 0.00 C ATOM 233 CG LYS A 18 1.507 -2.053 5.159 1.00 0.00 C ATOM 234 CD LYS A 18 0.023 -2.173 4.809 1.00 0.00 C ATOM 235 CE LYS A 18 -0.403 -3.640 4.723 1.00 0.00 C ATOM 236 NZ LYS A 18 -1.531 -3.907 5.644 1.00 0.00 N ATOM 0 H LYS A 18 3.207 1.146 3.546 1.00 0.00 H new ATOM 0 HA LYS A 18 0.519 0.254 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.179 -1.291 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.233 -0.888 4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.999 -3.014 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.616 -1.802 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.575 -1.661 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.171 -1.678 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.696 -3.881 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.439 -4.285 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.808 -4.907 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.240 -3.697 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.339 -3.305 5.387 1.00 0.00 H new ATOM 250 N PHE A 19 2.274 0.928 6.656 1.00 0.00 N ATOM 251 CA PHE A 19 2.154 1.300 8.055 1.00 0.00 C ATOM 252 C PHE A 19 1.339 2.585 8.213 1.00 0.00 C ATOM 253 O PHE A 19 0.470 2.671 9.079 1.00 0.00 O ATOM 254 CB PHE A 19 3.572 1.543 8.576 1.00 0.00 C ATOM 255 CG PHE A 19 3.626 2.317 9.895 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.156 1.748 11.037 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.145 3.574 9.925 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.207 2.466 12.261 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.195 4.292 11.149 1.00 0.00 C ATOM 260 CZ PHE A 19 3.725 3.723 12.291 1.00 0.00 C ATOM 0 H PHE A 19 3.232 0.816 6.325 1.00 0.00 H new ATOM 0 HA PHE A 19 1.647 0.509 8.608 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.069 0.582 8.710 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.136 2.091 7.822 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.744 0.750 11.013 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.519 4.026 9.018 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.834 2.014 13.168 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.606 5.290 11.173 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.763 4.269 13.222 1.00 0.00 H new ATOM 270 N SER A 20 1.648 3.553 7.361 1.00 0.00 N ATOM 271 CA SER A 20 0.955 4.829 7.395 1.00 0.00 C ATOM 272 C SER A 20 -0.556 4.607 7.296 1.00 0.00 C ATOM 273 O SER A 20 -1.304 4.996 8.191 1.00 0.00 O ATOM 274 CB SER A 20 1.432 5.745 6.267 1.00 0.00 C ATOM 275 OG SER A 20 2.825 6.031 6.364 1.00 0.00 O ATOM 0 H SER A 20 2.369 3.478 6.643 1.00 0.00 H new ATOM 0 HA SER A 20 1.183 5.317 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.225 5.275 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.868 6.677 6.294 1.00 0.00 H new ATOM 0 HG SER A 20 3.340 5.237 6.112 1.00 0.00 H new ATOM 281 N GLN A 21 -0.959 3.983 6.198 1.00 0.00 N ATOM 282 CA GLN A 21 -2.366 3.705 5.970 1.00 0.00 C ATOM 283 C GLN A 21 -3.009 3.141 7.239 1.00 0.00 C ATOM 284 O GLN A 21 -4.178 3.402 7.516 1.00 0.00 O ATOM 285 CB GLN A 21 -2.552 2.749 4.790 1.00 0.00 C ATOM 286 CG GLN A 21 -2.955 3.510 3.526 1.00 0.00 C ATOM 287 CD GLN A 21 -3.685 2.592 2.543 1.00 0.00 C ATOM 288 OE1 GLN A 21 -4.311 1.613 2.915 1.00 0.00 O ATOM 289 NE2 GLN A 21 -3.569 2.961 1.270 1.00 0.00 N ATOM 0 H GLN A 21 -0.335 3.663 5.457 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.865 4.641 5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.626 2.203 4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.316 2.010 5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.598 4.349 3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.068 3.927 3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.030 3.792 1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.019 2.413 0.537 1.00 0.00 H new ATOM 298 N GLU A 22 -2.215 2.379 7.977 1.00 0.00 N ATOM 299 CA GLU A 22 -2.691 1.776 9.210 1.00 0.00 C ATOM 300 C GLU A 22 -3.024 2.860 10.237 1.00 0.00 C ATOM 301 O GLU A 22 -4.057 2.795 10.902 1.00 0.00 O ATOM 302 CB GLU A 22 -1.666 0.787 9.769 1.00 0.00 C ATOM 303 CG GLU A 22 -2.356 -0.452 10.344 1.00 0.00 C ATOM 304 CD GLU A 22 -1.798 -1.731 9.716 1.00 0.00 C ATOM 305 OE1 GLU A 22 -0.728 -2.174 10.186 1.00 0.00 O ATOM 306 OE2 GLU A 22 -2.456 -2.237 8.781 1.00 0.00 O ATOM 0 H GLU A 22 -1.245 2.165 7.745 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.602 1.219 8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.975 0.490 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.074 1.271 10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.216 -0.482 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.429 -0.392 10.163 1.00 0.00 H new ATOM 313 N LEU A 23 -2.129 3.832 10.335 1.00 0.00 N ATOM 314 CA LEU A 23 -2.314 4.929 11.270 1.00 0.00 C ATOM 315 C LEU A 23 -3.462 5.817 10.786 1.00 0.00 C ATOM 316 O LEU A 23 -4.029 6.583 11.564 1.00 0.00 O ATOM 317 CB LEU A 23 -0.999 5.682 11.480 1.00 0.00 C ATOM 318 CG LEU A 23 0.116 4.903 12.180 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.481 5.239 11.577 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.084 5.138 13.691 1.00 0.00 C ATOM 0 H LEU A 23 -1.273 3.883 9.782 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.596 4.550 12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.631 6.009 10.507 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.207 6.581 12.061 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.056 3.839 12.016 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.256 4.672 12.093 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.485 4.979 10.518 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.676 6.305 11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.887 4.573 14.164 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.218 6.200 13.897 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.875 4.809 14.090 1.00 0.00 H new ATOM 332 N LEU A 24 -3.769 5.686 9.504 1.00 0.00 N ATOM 333 CA LEU A 24 -4.839 6.467 8.907 1.00 0.00 C ATOM 334 C LEU A 24 -6.170 5.741 9.109 1.00 0.00 C ATOM 335 O LEU A 24 -7.224 6.372 9.162 1.00 0.00 O ATOM 336 CB LEU A 24 -4.524 6.776 7.442 1.00 0.00 C ATOM 337 CG LEU A 24 -3.422 7.809 7.196 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.444 8.301 5.748 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.520 8.963 8.195 1.00 0.00 C ATOM 0 H LEU A 24 -3.295 5.051 8.862 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.925 7.434 9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.240 5.847 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.437 7.127 6.961 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.459 7.325 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.651 9.034 5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.289 7.458 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.408 8.762 5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.726 9.683 7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.488 9.453 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.416 8.576 9.209 1.00 0.00 H new ATOM 351 N SER A 25 -6.078 4.423 9.218 1.00 0.00 N ATOM 352 CA SER A 25 -7.262 3.604 9.413 1.00 0.00 C ATOM 353 C SER A 25 -7.462 3.320 10.904 1.00 0.00 C ATOM 354 O SER A 25 -8.569 3.007 11.336 1.00 0.00 O ATOM 355 CB SER A 25 -7.159 2.292 8.633 1.00 0.00 C ATOM 356 OG SER A 25 -7.890 2.340 7.410 1.00 0.00 O ATOM 0 H SER A 25 -5.202 3.903 9.175 1.00 0.00 H new ATOM 0 HA SER A 25 -8.124 4.154 9.035 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.112 2.077 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.534 1.474 9.248 1.00 0.00 H new ATOM 0 HG SER A 25 -7.798 1.485 6.940 1.00 0.00 H new ATOM 362 N ASN A 26 -6.372 3.441 11.647 1.00 0.00 N ATOM 363 CA ASN A 26 -6.414 3.201 13.080 1.00 0.00 C ATOM 364 C ASN A 26 -7.073 4.395 13.773 1.00 0.00 C ATOM 365 O ASN A 26 -8.105 4.246 14.426 1.00 0.00 O ATOM 366 CB ASN A 26 -5.004 3.041 13.653 1.00 0.00 C ATOM 367 CG ASN A 26 -4.382 1.714 13.216 1.00 0.00 C ATOM 368 OD1 ASN A 26 -3.073 1.779 12.988 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -5.046 0.697 13.095 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.455 3.702 11.284 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.980 2.285 13.252 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.376 3.868 13.320 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.042 3.088 14.741 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.048 0.716 13.286 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.599 -0.172 12.803 1.00 0.00 H new ATOM 376 N GLY A 27 -6.451 5.553 13.608 1.00 0.00 N ATOM 377 CA GLY A 27 -6.964 6.771 14.209 1.00 0.00 C ATOM 378 C GLY A 27 -6.171 7.140 15.465 1.00 0.00 C ATOM 379 O GLY A 27 -6.704 7.767 16.379 1.00 0.00 O ATOM 0 H GLY A 27 -5.595 5.673 13.066 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.910 7.587 13.488 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.016 6.640 14.464 1.00 0.00 H new ATOM 383 N GLU A 28 -4.910 6.734 15.469 1.00 0.00 N ATOM 384 CA GLU A 28 -4.038 7.014 16.597 1.00 0.00 C ATOM 385 C GLU A 28 -3.585 8.475 16.569 1.00 0.00 C ATOM 386 O GLU A 28 -3.134 9.008 17.581 1.00 0.00 O ATOM 387 CB GLU A 28 -2.835 6.068 16.608 1.00 0.00 C ATOM 388 CG GLU A 28 -3.174 4.742 15.923 1.00 0.00 C ATOM 389 CD GLU A 28 -2.370 3.590 16.530 1.00 0.00 C ATOM 390 OE1 GLU A 28 -2.823 3.070 17.572 1.00 0.00 O ATOM 391 OE2 GLU A 28 -1.321 3.257 15.938 1.00 0.00 O ATOM 0 H GLU A 28 -4.471 6.214 14.709 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.600 6.846 17.516 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.993 6.539 16.101 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.524 5.881 17.636 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.240 4.539 16.024 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.963 4.815 14.856 1.00 0.00 H new ATOM 398 N LEU A 29 -3.723 9.081 15.399 1.00 0.00 N ATOM 399 CA LEU A 29 -3.334 10.471 15.226 1.00 0.00 C ATOM 400 C LEU A 29 -4.516 11.259 14.658 1.00 0.00 C ATOM 401 O LEU A 29 -4.336 12.119 13.796 1.00 0.00 O ATOM 402 CB LEU A 29 -2.064 10.570 14.379 1.00 0.00 C ATOM 403 CG LEU A 29 -1.321 9.257 14.128 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.514 9.323 12.830 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.448 8.882 15.327 1.00 0.00 C ATOM 0 H LEU A 29 -4.099 8.636 14.562 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.084 10.920 16.187 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.327 11.005 13.415 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.379 11.264 14.866 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.060 8.465 14.008 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.005 8.377 12.675 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.186 9.509 11.993 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.216 10.130 12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.069 7.945 15.122 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.285 9.669 15.504 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.075 8.765 16.211 1.00 0.00 H new ATOM 417 N ASN A 30 -5.698 10.939 15.163 1.00 0.00 N ATOM 418 CA ASN A 30 -6.909 11.607 14.717 1.00 0.00 C ATOM 419 C ASN A 30 -7.177 12.819 15.611 1.00 0.00 C ATOM 420 O ASN A 30 -8.235 13.440 15.519 1.00 0.00 O ATOM 421 CB ASN A 30 -8.118 10.674 14.809 1.00 0.00 C ATOM 422 CG ASN A 30 -8.217 9.781 13.571 1.00 0.00 C ATOM 423 OD1 ASN A 30 -7.532 9.971 12.579 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.106 8.798 13.683 1.00 0.00 N ATOM 0 H ASN A 30 -5.843 10.225 15.877 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.765 11.909 13.680 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.037 10.055 15.703 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.029 11.263 14.911 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.247 8.147 12.910 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.647 8.695 14.542 1.00 0.00 H new ATOM 431 N HIS A 31 -6.201 13.118 16.456 1.00 0.00 N ATOM 432 CA HIS A 31 -6.319 14.245 17.366 1.00 0.00 C ATOM 433 C HIS A 31 -5.726 15.496 16.713 1.00 0.00 C ATOM 434 O HIS A 31 -5.854 16.597 17.245 1.00 0.00 O ATOM 435 CB HIS A 31 -5.678 13.921 18.717 1.00 0.00 C ATOM 436 CG HIS A 31 -4.229 13.507 18.626 1.00 0.00 C ATOM 437 ND1 HIS A 31 -3.835 12.213 18.333 1.00 0.00 N ATOM 438 CD2 HIS A 31 -3.084 14.230 18.791 1.00 0.00 C ATOM 439 CE1 HIS A 31 -2.511 12.170 18.326 1.00 0.00 C ATOM 440 NE2 HIS A 31 -2.047 13.421 18.611 1.00 0.00 N ATOM 0 H HIS A 31 -5.326 12.600 16.530 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.371 14.446 17.567 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -5.755 14.795 19.363 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.244 13.121 19.194 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.030 15.282 19.028 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.905 11.298 18.129 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.065 13.690 18.675 1.00 0.00 H new ATOM 448 N LEU A 32 -5.091 15.283 15.571 1.00 0.00 N ATOM 449 CA LEU A 32 -4.478 16.380 14.840 1.00 0.00 C ATOM 450 C LEU A 32 -4.926 16.326 13.378 1.00 0.00 C ATOM 451 O LEU A 32 -5.486 15.325 12.933 1.00 0.00 O ATOM 452 CB LEU A 32 -2.959 16.361 15.020 1.00 0.00 C ATOM 453 CG LEU A 32 -2.344 15.009 15.386 1.00 0.00 C ATOM 454 CD1 LEU A 32 -2.250 14.099 14.159 1.00 0.00 C ATOM 455 CD2 LEU A 32 -0.987 15.191 16.069 1.00 0.00 C ATOM 0 H LEU A 32 -4.987 14.368 15.133 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.811 17.338 15.240 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.499 16.709 14.095 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.696 17.080 15.796 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.002 14.517 16.102 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.809 13.144 14.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.248 13.931 13.754 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.626 14.573 13.401 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.572 14.215 16.319 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.308 15.713 15.395 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.114 15.775 16.980 1.00 0.00 H new ATOM 467 N PRO A 33 -4.653 17.443 12.652 1.00 0.00 N ATOM 468 CA PRO A 33 -5.021 17.532 11.249 1.00 0.00 C ATOM 469 C PRO A 33 -4.079 16.696 10.381 1.00 0.00 C ATOM 470 O PRO A 33 -2.971 16.367 10.800 1.00 0.00 O ATOM 471 CB PRO A 33 -4.971 19.016 10.922 1.00 0.00 C ATOM 472 CG PRO A 33 -4.131 19.655 12.016 1.00 0.00 C ATOM 473 CD PRO A 33 -3.990 18.647 13.145 1.00 0.00 C ATOM 0 HA PRO A 33 -6.013 17.127 11.048 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.528 19.185 9.940 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.973 19.445 10.898 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.151 19.935 11.630 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.605 20.568 12.377 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.942 18.456 13.376 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.457 19.010 14.060 1.00 0.00 H new ATOM 481 N LEU A 34 -4.554 16.377 9.186 1.00 0.00 N ATOM 482 CA LEU A 34 -3.767 15.586 8.255 1.00 0.00 C ATOM 483 C LEU A 34 -2.338 16.129 8.211 1.00 0.00 C ATOM 484 O LEU A 34 -1.385 15.404 8.494 1.00 0.00 O ATOM 485 CB LEU A 34 -4.448 15.536 6.885 1.00 0.00 C ATOM 486 CG LEU A 34 -3.831 14.579 5.864 1.00 0.00 C ATOM 487 CD1 LEU A 34 -2.339 14.862 5.678 1.00 0.00 C ATOM 488 CD2 LEU A 34 -4.095 13.122 6.250 1.00 0.00 C ATOM 0 H LEU A 34 -5.474 16.652 8.841 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.705 14.552 8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.492 15.257 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.442 16.540 6.462 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.313 14.750 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.925 14.167 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.204 15.884 5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.823 14.736 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.646 12.462 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.658 12.920 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.170 12.945 6.290 1.00 0.00 H new ATOM 500 N LYS A 35 -2.233 17.401 7.855 1.00 0.00 N ATOM 501 CA LYS A 35 -0.935 18.050 7.771 1.00 0.00 C ATOM 502 C LYS A 35 -0.048 17.556 8.915 1.00 0.00 C ATOM 503 O LYS A 35 1.171 17.476 8.770 1.00 0.00 O ATOM 504 CB LYS A 35 -1.099 19.571 7.731 1.00 0.00 C ATOM 505 CG LYS A 35 0.253 20.271 7.888 1.00 0.00 C ATOM 506 CD LYS A 35 1.049 20.225 6.583 1.00 0.00 C ATOM 507 CE LYS A 35 2.431 20.858 6.761 1.00 0.00 C ATOM 508 NZ LYS A 35 3.227 20.721 5.522 1.00 0.00 N ATOM 0 H LYS A 35 -3.025 18.000 7.621 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.434 17.782 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.558 19.866 6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.772 19.889 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.097 21.308 8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.824 19.792 8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.158 19.191 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.502 20.751 5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.324 21.912 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.953 20.380 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.162 21.156 5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.344 19.713 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.736 21.198 4.739 1.00 0.00 H new ATOM 522 N GLU A 36 -0.694 17.238 10.028 1.00 0.00 N ATOM 523 CA GLU A 36 0.021 16.754 11.196 1.00 0.00 C ATOM 524 C GLU A 36 0.087 15.226 11.183 1.00 0.00 C ATOM 525 O GLU A 36 1.143 14.644 11.427 1.00 0.00 O ATOM 526 CB GLU A 36 -0.626 17.264 12.485 1.00 0.00 C ATOM 527 CG GLU A 36 -0.133 18.672 12.827 1.00 0.00 C ATOM 528 CD GLU A 36 0.217 18.785 14.312 1.00 0.00 C ATOM 529 OE1 GLU A 36 1.048 17.967 14.763 1.00 0.00 O ATOM 530 OE2 GLU A 36 -0.355 19.686 14.963 1.00 0.00 O ATOM 0 H GLU A 36 -1.705 17.306 10.145 1.00 0.00 H new ATOM 0 HA GLU A 36 1.039 17.142 11.161 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.710 17.272 12.373 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.395 16.585 13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.743 18.911 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.902 19.402 12.574 1.00 0.00 H new ATOM 537 N ARG A 37 -1.055 14.618 10.897 1.00 0.00 N ATOM 538 CA ARG A 37 -1.140 13.169 10.849 1.00 0.00 C ATOM 539 C ARG A 37 0.073 12.589 10.119 1.00 0.00 C ATOM 540 O ARG A 37 0.848 11.831 10.700 1.00 0.00 O ATOM 541 CB ARG A 37 -2.418 12.715 10.139 1.00 0.00 C ATOM 542 CG ARG A 37 -3.661 13.158 10.913 1.00 0.00 C ATOM 543 CD ARG A 37 -4.886 12.342 10.496 1.00 0.00 C ATOM 544 NE ARG A 37 -6.107 12.910 11.110 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.354 12.598 10.732 1.00 0.00 C ATOM 546 NH1 ARG A 37 -7.553 11.721 9.738 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.402 13.163 11.346 1.00 0.00 N ATOM 0 H ARG A 37 -1.929 15.103 10.696 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.159 12.805 11.876 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.446 13.130 9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.416 11.630 10.037 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.489 13.041 11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.847 14.217 10.734 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.981 12.343 9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.763 11.304 10.804 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.992 13.582 11.869 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.755 11.291 9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.502 11.483 9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.251 13.831 12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.351 12.925 11.058 1.00 0.00 H new ATOM 561 N MET A 38 0.201 12.969 8.856 1.00 0.00 N ATOM 562 CA MET A 38 1.307 12.496 8.041 1.00 0.00 C ATOM 563 C MET A 38 2.640 12.669 8.772 1.00 0.00 C ATOM 564 O MET A 38 3.262 11.688 9.176 1.00 0.00 O ATOM 565 CB MET A 38 1.341 13.276 6.725 1.00 0.00 C ATOM 566 CG MET A 38 0.314 12.725 5.734 1.00 0.00 C ATOM 567 SD MET A 38 1.105 11.593 4.602 1.00 0.00 S ATOM 568 CE MET A 38 0.728 10.042 5.401 1.00 0.00 C ATOM 0 H MET A 38 -0.443 13.599 8.377 1.00 0.00 H new ATOM 0 HA MET A 38 1.159 11.435 7.841 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.137 14.329 6.917 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.339 13.219 6.290 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.486 12.215 6.272 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.146 13.544 5.181 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.789 9.233 4.673 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.444 9.863 6.203 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.279 10.082 5.816 1.00 0.00 H new ATOM 578 N VAL A 39 3.039 13.924 8.919 1.00 0.00 N ATOM 579 CA VAL A 39 4.286 14.238 9.595 1.00 0.00 C ATOM 580 C VAL A 39 4.425 13.356 10.837 1.00 0.00 C ATOM 581 O VAL A 39 5.461 12.724 11.041 1.00 0.00 O ATOM 582 CB VAL A 39 4.346 15.733 9.914 1.00 0.00 C ATOM 583 CG1 VAL A 39 3.072 16.194 10.624 1.00 0.00 C ATOM 584 CG2 VAL A 39 5.588 16.067 10.743 1.00 0.00 C ATOM 0 H VAL A 39 2.521 14.735 8.581 1.00 0.00 H new ATOM 0 HA VAL A 39 5.136 14.023 8.947 1.00 0.00 H new ATOM 0 HB VAL A 39 4.417 16.274 8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.141 17.260 10.839 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.210 16.008 9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.955 15.642 11.557 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.607 17.136 10.956 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.561 15.511 11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.483 15.793 10.184 1.00 0.00 H new ATOM 594 N GLU A 40 3.367 13.340 11.634 1.00 0.00 N ATOM 595 CA GLU A 40 3.358 12.546 12.850 1.00 0.00 C ATOM 596 C GLU A 40 3.753 11.100 12.542 1.00 0.00 C ATOM 597 O GLU A 40 4.539 10.499 13.272 1.00 0.00 O ATOM 598 CB GLU A 40 1.991 12.607 13.535 1.00 0.00 C ATOM 599 CG GLU A 40 2.139 12.583 15.058 1.00 0.00 C ATOM 600 CD GLU A 40 3.001 13.751 15.543 1.00 0.00 C ATOM 601 OE1 GLU A 40 2.524 14.899 15.416 1.00 0.00 O ATOM 602 OE2 GLU A 40 4.117 13.468 16.029 1.00 0.00 O ATOM 0 H GLU A 40 2.510 13.865 11.461 1.00 0.00 H new ATOM 0 HA GLU A 40 4.092 12.964 13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.468 13.514 13.231 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.381 11.764 13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.155 12.635 15.524 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.589 11.640 15.369 1.00 0.00 H new ATOM 609 N ILE A 41 3.188 10.583 11.461 1.00 0.00 N ATOM 610 CA ILE A 41 3.471 9.219 11.048 1.00 0.00 C ATOM 611 C ILE A 41 4.973 9.068 10.799 1.00 0.00 C ATOM 612 O ILE A 41 5.633 8.252 11.441 1.00 0.00 O ATOM 613 CB ILE A 41 2.607 8.833 9.846 1.00 0.00 C ATOM 614 CG1 ILE A 41 1.119 8.920 10.190 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.993 7.451 9.315 1.00 0.00 C ATOM 616 CD1 ILE A 41 0.292 9.295 8.959 1.00 0.00 C ATOM 0 H ILE A 41 2.535 11.084 10.858 1.00 0.00 H new ATOM 0 HA ILE A 41 3.206 8.518 11.840 1.00 0.00 H new ATOM 0 HB ILE A 41 2.795 9.549 9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.777 7.963 10.584 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.966 9.661 10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.364 7.201 8.461 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.038 7.459 9.006 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.852 6.707 10.100 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.762 9.350 9.232 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.620 10.263 8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.428 8.539 8.185 1.00 0.00 H new ATOM 628 N GLY A 42 5.470 9.866 9.865 1.00 0.00 N ATOM 629 CA GLY A 42 6.881 9.831 9.523 1.00 0.00 C ATOM 630 C GLY A 42 7.742 9.613 10.770 1.00 0.00 C ATOM 631 O GLY A 42 8.804 8.997 10.696 1.00 0.00 O ATOM 0 H GLY A 42 4.920 10.541 9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.065 9.032 8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.165 10.766 9.039 1.00 0.00 H new ATOM 635 N SER A 43 7.251 10.131 11.886 1.00 0.00 N ATOM 636 CA SER A 43 7.962 10.002 13.147 1.00 0.00 C ATOM 637 C SER A 43 7.850 8.567 13.665 1.00 0.00 C ATOM 638 O SER A 43 8.861 7.919 13.934 1.00 0.00 O ATOM 639 CB SER A 43 7.422 10.986 14.187 1.00 0.00 C ATOM 640 OG SER A 43 8.470 11.673 14.865 1.00 0.00 O ATOM 0 H SER A 43 6.369 10.641 11.944 1.00 0.00 H new ATOM 0 HA SER A 43 9.012 10.239 12.974 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.771 11.710 13.697 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.812 10.448 14.913 1.00 0.00 H new ATOM 0 HG SER A 43 8.085 12.293 15.519 1.00 0.00 H new ATOM 646 N ARG A 44 6.612 8.112 13.791 1.00 0.00 N ATOM 647 CA ARG A 44 6.355 6.765 14.273 1.00 0.00 C ATOM 648 C ARG A 44 7.076 5.741 13.395 1.00 0.00 C ATOM 649 O ARG A 44 7.647 4.776 13.901 1.00 0.00 O ATOM 650 CB ARG A 44 4.856 6.459 14.277 1.00 0.00 C ATOM 651 CG ARG A 44 4.116 7.351 15.276 1.00 0.00 C ATOM 652 CD ARG A 44 2.893 6.634 15.851 1.00 0.00 C ATOM 653 NE ARG A 44 3.278 5.861 17.053 1.00 0.00 N ATOM 654 CZ ARG A 44 2.478 4.978 17.666 1.00 0.00 C ATOM 655 NH1 ARG A 44 1.244 4.751 17.194 1.00 0.00 N ATOM 656 NH2 ARG A 44 2.911 4.323 18.752 1.00 0.00 N ATOM 0 H ARG A 44 5.776 8.652 13.568 1.00 0.00 H new ATOM 0 HA ARG A 44 6.730 6.700 15.294 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.448 6.610 13.278 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.696 5.411 14.532 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.790 7.634 16.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.804 8.272 14.784 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.122 7.361 16.107 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.466 5.968 15.101 1.00 0.00 H new ATOM 0 HE ARG A 44 4.210 6.010 17.439 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.914 5.250 16.368 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.635 4.079 17.661 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.849 4.497 19.112 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.302 3.651 19.219 1.00 0.00 H new ATOM 670 N TRP A 45 7.026 5.985 12.093 1.00 0.00 N ATOM 671 CA TRP A 45 7.667 5.095 11.140 1.00 0.00 C ATOM 672 C TRP A 45 9.179 5.172 11.364 1.00 0.00 C ATOM 673 O TRP A 45 9.891 4.191 11.158 1.00 0.00 O ATOM 674 CB TRP A 45 7.257 5.440 9.707 1.00 0.00 C ATOM 675 CG TRP A 45 8.091 4.736 8.635 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.147 5.217 7.964 1.00 0.00 C ATOM 677 CD2 TRP A 45 7.894 3.397 8.133 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.643 4.289 7.071 1.00 0.00 N ATOM 679 CE2 TRP A 45 8.857 3.148 7.177 1.00 0.00 C ATOM 680 CE3 TRP A 45 6.934 2.429 8.477 1.00 0.00 C ATOM 681 CZ2 TRP A 45 8.954 1.934 6.485 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.044 1.222 7.776 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.008 0.955 6.811 1.00 0.00 C ATOM 0 H TRP A 45 6.552 6.786 11.676 1.00 0.00 H new ATOM 0 HA TRP A 45 7.344 4.066 11.296 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.208 5.178 9.567 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.338 6.518 9.566 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.558 6.206 8.104 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.440 4.417 6.448 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.172 2.603 9.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 9.717 1.763 5.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.330 0.444 8.001 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.027 -0.004 6.315 1.00 0.00 H new ATOM 694 N GLN A 46 9.623 6.348 11.783 1.00 0.00 N ATOM 695 CA GLN A 46 11.037 6.566 12.038 1.00 0.00 C ATOM 696 C GLN A 46 11.442 5.926 13.367 1.00 0.00 C ATOM 697 O GLN A 46 12.629 5.821 13.674 1.00 0.00 O ATOM 698 CB GLN A 46 11.374 8.058 12.023 1.00 0.00 C ATOM 699 CG GLN A 46 11.643 8.545 10.598 1.00 0.00 C ATOM 700 CD GLN A 46 13.143 8.549 10.294 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.894 7.697 10.738 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.535 9.553 9.515 1.00 0.00 N ATOM 0 H GLN A 46 9.029 7.160 11.952 1.00 0.00 H new ATOM 0 HA GLN A 46 11.607 6.091 11.240 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.550 8.625 12.455 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.249 8.243 12.646 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.126 7.902 9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.240 9.550 10.471 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.853 10.233 9.177 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.517 9.643 9.255 1.00 0.00 H new ATOM 711 N ARG A 47 10.433 5.514 14.121 1.00 0.00 N ATOM 712 CA ARG A 47 10.669 4.887 15.410 1.00 0.00 C ATOM 713 C ARG A 47 10.829 3.375 15.244 1.00 0.00 C ATOM 714 O ARG A 47 11.808 2.795 15.710 1.00 0.00 O ATOM 715 CB ARG A 47 9.519 5.168 16.378 1.00 0.00 C ATOM 716 CG ARG A 47 9.545 6.623 16.853 1.00 0.00 C ATOM 717 CD ARG A 47 8.270 6.971 17.624 1.00 0.00 C ATOM 718 NE ARG A 47 8.543 6.977 19.078 1.00 0.00 N ATOM 719 CZ ARG A 47 7.612 7.195 20.017 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.342 7.426 19.660 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.952 7.183 21.313 1.00 0.00 N ATOM 0 H ARG A 47 9.450 5.602 13.863 1.00 0.00 H new ATOM 0 HA ARG A 47 11.586 5.310 15.821 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.568 4.958 15.889 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.590 4.500 17.236 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.415 6.786 17.489 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.648 7.288 15.995 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.901 7.948 17.311 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.488 6.247 17.396 1.00 0.00 H new ATOM 0 HE ARG A 47 9.500 6.804 19.385 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.083 7.436 18.673 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.633 7.592 20.375 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.919 7.008 21.585 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.243 7.349 22.028 1.00 0.00 H new ATOM 735 N ILE A 48 9.851 2.779 14.577 1.00 0.00 N ATOM 736 CA ILE A 48 9.870 1.345 14.344 1.00 0.00 C ATOM 737 C ILE A 48 11.288 0.913 13.962 1.00 0.00 C ATOM 738 O ILE A 48 12.111 1.743 13.578 1.00 0.00 O ATOM 739 CB ILE A 48 8.810 0.956 13.311 1.00 0.00 C ATOM 740 CG1 ILE A 48 8.886 1.861 12.080 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.413 0.951 13.934 1.00 0.00 C ATOM 742 CD1 ILE A 48 7.977 1.345 10.963 1.00 0.00 C ATOM 0 H ILE A 48 9.041 3.263 14.191 1.00 0.00 H new ATOM 0 HA ILE A 48 9.607 0.808 15.255 1.00 0.00 H new ATOM 0 HB ILE A 48 9.016 -0.061 12.976 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.594 2.876 12.352 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.915 1.910 11.723 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.679 0.671 13.179 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.382 0.233 14.753 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.181 1.946 14.315 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.050 2.007 10.100 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.287 0.340 10.677 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.946 1.321 11.315 1.00 0.00 H new ATOM 754 N SER A 49 11.530 -0.384 14.082 1.00 0.00 N ATOM 755 CA SER A 49 12.834 -0.935 13.754 1.00 0.00 C ATOM 756 C SER A 49 12.804 -1.553 12.355 1.00 0.00 C ATOM 757 O SER A 49 11.821 -1.409 11.630 1.00 0.00 O ATOM 758 CB SER A 49 13.265 -1.979 14.786 1.00 0.00 C ATOM 759 OG SER A 49 14.209 -1.453 15.715 1.00 0.00 O ATOM 0 H SER A 49 10.845 -1.069 14.402 1.00 0.00 H new ATOM 0 HA SER A 49 13.562 -0.124 13.770 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.389 -2.340 15.325 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.700 -2.837 14.274 1.00 0.00 H new ATOM 0 HG SER A 49 14.458 -2.149 16.358 1.00 0.00 H new ATOM 765 N GLN A 50 13.894 -2.227 12.017 1.00 0.00 N ATOM 766 CA GLN A 50 14.005 -2.867 10.718 1.00 0.00 C ATOM 767 C GLN A 50 12.879 -3.886 10.530 1.00 0.00 C ATOM 768 O GLN A 50 12.167 -3.852 9.527 1.00 0.00 O ATOM 769 CB GLN A 50 15.375 -3.526 10.547 1.00 0.00 C ATOM 770 CG GLN A 50 15.534 -4.103 9.139 1.00 0.00 C ATOM 771 CD GLN A 50 15.196 -3.056 8.076 1.00 0.00 C ATOM 772 OE1 GLN A 50 16.053 -2.353 7.565 1.00 0.00 O ATOM 773 NE2 GLN A 50 13.903 -2.991 7.772 1.00 0.00 N ATOM 0 H GLN A 50 14.708 -2.343 12.621 1.00 0.00 H new ATOM 0 HA GLN A 50 13.908 -2.102 9.948 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.161 -2.794 10.735 1.00 0.00 H new ATOM 0 HB3 GLN A 50 15.496 -4.319 11.285 1.00 0.00 H new ATOM 0 HG2 GLN A 50 16.557 -4.452 8.999 1.00 0.00 H new ATOM 0 HG3 GLN A 50 14.883 -4.969 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.238 -3.609 8.237 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.576 -2.323 7.073 1.00 0.00 H new ATOM 782 N SER A 51 12.754 -4.769 11.510 1.00 0.00 N ATOM 783 CA SER A 51 11.727 -5.796 11.465 1.00 0.00 C ATOM 784 C SER A 51 10.437 -5.221 10.876 1.00 0.00 C ATOM 785 O SER A 51 10.044 -5.577 9.766 1.00 0.00 O ATOM 786 CB SER A 51 11.463 -6.373 12.857 1.00 0.00 C ATOM 787 OG SER A 51 10.480 -7.404 12.830 1.00 0.00 O ATOM 0 H SER A 51 13.347 -4.794 12.340 1.00 0.00 H new ATOM 0 HA SER A 51 12.081 -6.606 10.827 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.392 -6.769 13.268 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.134 -5.576 13.523 1.00 0.00 H new ATOM 0 HG SER A 51 10.341 -7.748 13.737 1.00 0.00 H new ATOM 793 N GLN A 52 9.814 -4.341 11.646 1.00 0.00 N ATOM 794 CA GLN A 52 8.577 -3.713 11.214 1.00 0.00 C ATOM 795 C GLN A 52 8.671 -3.310 9.741 1.00 0.00 C ATOM 796 O GLN A 52 8.044 -3.929 8.883 1.00 0.00 O ATOM 797 CB GLN A 52 8.239 -2.506 12.092 1.00 0.00 C ATOM 798 CG GLN A 52 6.955 -2.748 12.887 1.00 0.00 C ATOM 799 CD GLN A 52 6.963 -4.136 13.531 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.338 -5.072 13.058 1.00 0.00 O ATOM 801 NE2 GLN A 52 7.702 -4.218 14.633 1.00 0.00 N ATOM 0 H GLN A 52 10.143 -4.048 12.566 1.00 0.00 H new ATOM 0 HA GLN A 52 7.769 -4.437 11.321 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.063 -2.308 12.777 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.123 -1.619 11.469 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.852 -1.985 13.659 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.092 -2.654 12.228 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.200 -3.396 14.975 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.771 -5.103 15.136 1.00 0.00 H new ATOM 810 N LYS A 53 9.461 -2.275 9.493 1.00 0.00 N ATOM 811 CA LYS A 53 9.646 -1.783 8.139 1.00 0.00 C ATOM 812 C LYS A 53 9.726 -2.969 7.176 1.00 0.00 C ATOM 813 O LYS A 53 9.025 -3.001 6.165 1.00 0.00 O ATOM 814 CB LYS A 53 10.857 -0.850 8.068 1.00 0.00 C ATOM 815 CG LYS A 53 10.595 0.448 8.834 1.00 0.00 C ATOM 816 CD LYS A 53 11.765 1.422 8.679 1.00 0.00 C ATOM 817 CE LYS A 53 11.343 2.847 9.040 1.00 0.00 C ATOM 818 NZ LYS A 53 12.073 3.315 10.240 1.00 0.00 N ATOM 0 H LYS A 53 9.980 -1.764 10.207 1.00 0.00 H new ATOM 0 HA LYS A 53 8.791 -1.181 7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.731 -1.351 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.085 -0.622 7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.680 0.912 8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.439 0.226 9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.590 1.110 9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.131 1.396 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.542 3.515 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.269 2.879 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.393 3.658 10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.623 2.528 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.716 4.088 9.975 1.00 0.00 H new ATOM 832 N GLU A 54 10.586 -3.915 7.523 1.00 0.00 N ATOM 833 CA GLU A 54 10.767 -5.100 6.702 1.00 0.00 C ATOM 834 C GLU A 54 9.430 -5.815 6.500 1.00 0.00 C ATOM 835 O GLU A 54 9.084 -6.188 5.380 1.00 0.00 O ATOM 836 CB GLU A 54 11.804 -6.040 7.318 1.00 0.00 C ATOM 837 CG GLU A 54 13.181 -5.828 6.685 1.00 0.00 C ATOM 838 CD GLU A 54 13.506 -6.944 5.691 1.00 0.00 C ATOM 839 OE1 GLU A 54 13.001 -6.854 4.551 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.252 -7.863 6.092 1.00 0.00 O ATOM 0 H GLU A 54 11.165 -3.885 8.362 1.00 0.00 H new ATOM 0 HA GLU A 54 11.141 -4.789 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.863 -5.868 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.491 -7.075 7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.207 -4.864 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.942 -5.797 7.464 1.00 0.00 H new ATOM 847 N HIS A 55 8.713 -5.984 7.602 1.00 0.00 N ATOM 848 CA HIS A 55 7.422 -6.648 7.560 1.00 0.00 C ATOM 849 C HIS A 55 6.492 -5.902 6.600 1.00 0.00 C ATOM 850 O HIS A 55 6.044 -6.464 5.602 1.00 0.00 O ATOM 851 CB HIS A 55 6.835 -6.785 8.966 1.00 0.00 C ATOM 852 CG HIS A 55 5.577 -7.618 9.029 1.00 0.00 C ATOM 853 ND1 HIS A 55 5.540 -8.949 8.651 1.00 0.00 N ATOM 854 CD2 HIS A 55 4.314 -7.296 9.430 1.00 0.00 C ATOM 855 CE1 HIS A 55 4.305 -9.397 8.820 1.00 0.00 C ATOM 856 NE2 HIS A 55 3.546 -8.371 9.302 1.00 0.00 N ATOM 0 H HIS A 55 9.002 -5.672 8.529 1.00 0.00 H new ATOM 0 HA HIS A 55 7.543 -7.662 7.179 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.585 -7.229 9.620 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.620 -5.791 9.357 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.993 -6.330 9.791 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.959 -10.399 8.613 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.552 -8.422 9.527 1.00 0.00 H new ATOM 864 N TYR A 56 6.230 -4.647 6.936 1.00 0.00 N ATOM 865 CA TYR A 56 5.363 -3.819 6.117 1.00 0.00 C ATOM 866 C TYR A 56 5.869 -3.753 4.674 1.00 0.00 C ATOM 867 O TYR A 56 5.076 -3.679 3.737 1.00 0.00 O ATOM 868 CB TYR A 56 5.417 -2.417 6.728 1.00 0.00 C ATOM 869 CG TYR A 56 4.602 -2.267 8.014 1.00 0.00 C ATOM 870 CD1 TYR A 56 3.283 -2.671 8.046 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.186 -1.727 9.142 1.00 0.00 C ATOM 872 CE1 TYR A 56 2.515 -2.530 9.256 1.00 0.00 C ATOM 873 CE2 TYR A 56 4.418 -1.586 10.353 1.00 0.00 C ATOM 874 CZ TYR A 56 3.121 -1.994 10.350 1.00 0.00 C ATOM 875 OH TYR A 56 2.396 -1.861 11.493 1.00 0.00 O ATOM 0 H TYR A 56 6.603 -4.184 7.765 1.00 0.00 H new ATOM 0 HA TYR A 56 4.353 -4.227 6.095 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.456 -2.163 6.937 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.054 -1.698 5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.826 -3.093 7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.218 -1.410 9.117 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.482 -2.842 9.294 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.863 -1.166 11.243 1.00 0.00 H new ATOM 0 HH TYR A 56 2.957 -1.465 12.192 1.00 0.00 H new ATOM 885 N LYS A 57 7.187 -3.782 4.542 1.00 0.00 N ATOM 886 CA LYS A 57 7.809 -3.727 3.230 1.00 0.00 C ATOM 887 C LYS A 57 7.522 -5.029 2.479 1.00 0.00 C ATOM 888 O LYS A 57 7.213 -5.008 1.289 1.00 0.00 O ATOM 889 CB LYS A 57 9.299 -3.406 3.356 1.00 0.00 C ATOM 890 CG LYS A 57 10.031 -3.672 2.040 1.00 0.00 C ATOM 891 CD LYS A 57 11.455 -3.114 2.081 1.00 0.00 C ATOM 892 CE LYS A 57 12.423 -4.124 2.701 1.00 0.00 C ATOM 893 NZ LYS A 57 13.531 -4.421 1.767 1.00 0.00 N ATOM 0 H LYS A 57 7.841 -3.843 5.322 1.00 0.00 H new ATOM 0 HA LYS A 57 7.381 -2.917 2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.427 -2.362 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.739 -4.010 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.062 -4.744 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.482 -3.216 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.781 -2.865 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.470 -2.189 2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.823 -3.728 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.891 -5.043 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.178 -5.108 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.146 -4.819 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.049 -3.545 1.553 1.00 0.00 H new ATOM 907 N LYS A 58 7.635 -6.131 3.206 1.00 0.00 N ATOM 908 CA LYS A 58 7.391 -7.440 2.624 1.00 0.00 C ATOM 909 C LYS A 58 5.918 -7.550 2.225 1.00 0.00 C ATOM 910 O LYS A 58 5.601 -8.000 1.125 1.00 0.00 O ATOM 911 CB LYS A 58 7.855 -8.544 3.576 1.00 0.00 C ATOM 912 CG LYS A 58 7.173 -9.874 3.246 1.00 0.00 C ATOM 913 CD LYS A 58 5.921 -10.075 4.103 1.00 0.00 C ATOM 914 CE LYS A 58 6.286 -10.218 5.582 1.00 0.00 C ATOM 915 NZ LYS A 58 6.171 -11.631 6.009 1.00 0.00 N ATOM 0 H LYS A 58 7.892 -6.144 4.193 1.00 0.00 H new ATOM 0 HA LYS A 58 7.978 -7.568 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.937 -8.659 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.630 -8.261 4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.903 -9.896 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.869 -10.696 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.246 -9.229 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.386 -10.964 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.303 -9.863 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.628 -9.594 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.422 -11.711 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.194 -11.958 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.817 -12.218 5.443 1.00 0.00 H new ATOM 929 N LEU A 59 5.057 -7.130 3.140 1.00 0.00 N ATOM 930 CA LEU A 59 3.625 -7.176 2.898 1.00 0.00 C ATOM 931 C LEU A 59 3.299 -6.364 1.643 1.00 0.00 C ATOM 932 O LEU A 59 2.522 -6.806 0.797 1.00 0.00 O ATOM 933 CB LEU A 59 2.857 -6.723 4.141 1.00 0.00 C ATOM 934 CG LEU A 59 2.973 -7.629 5.368 1.00 0.00 C ATOM 935 CD1 LEU A 59 2.149 -7.080 6.535 1.00 0.00 C ATOM 936 CD2 LEU A 59 2.590 -9.070 5.024 1.00 0.00 C ATOM 0 H LEU A 59 5.324 -6.756 4.051 1.00 0.00 H new ATOM 0 HA LEU A 59 3.303 -8.200 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.204 -5.727 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.803 -6.632 3.879 1.00 0.00 H new ATOM 0 HG LEU A 59 4.015 -7.640 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.249 -7.743 7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.510 -6.086 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.100 -7.020 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.681 -9.693 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.561 -9.097 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.255 -9.448 4.247 1.00 0.00 H new ATOM 948 N ALA A 60 3.908 -5.190 1.561 1.00 0.00 N ATOM 949 CA ALA A 60 3.692 -4.312 0.424 1.00 0.00 C ATOM 950 C ALA A 60 4.091 -5.041 -0.861 1.00 0.00 C ATOM 951 O ALA A 60 3.231 -5.444 -1.643 1.00 0.00 O ATOM 952 CB ALA A 60 4.476 -3.014 0.625 1.00 0.00 C ATOM 0 H ALA A 60 4.551 -4.826 2.264 1.00 0.00 H new ATOM 0 HA ALA A 60 2.638 -4.047 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.314 -2.355 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.135 -2.520 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.539 -3.241 0.712 1.00 0.00 H new ATOM 958 N GLU A 61 5.395 -5.189 -1.039 1.00 0.00 N ATOM 959 CA GLU A 61 5.918 -5.863 -2.215 1.00 0.00 C ATOM 960 C GLU A 61 5.075 -7.098 -2.538 1.00 0.00 C ATOM 961 O GLU A 61 4.799 -7.378 -3.704 1.00 0.00 O ATOM 962 CB GLU A 61 7.389 -6.237 -2.024 1.00 0.00 C ATOM 963 CG GLU A 61 7.535 -7.402 -1.043 1.00 0.00 C ATOM 964 CD GLU A 61 8.985 -7.887 -0.980 1.00 0.00 C ATOM 965 OE1 GLU A 61 9.878 -7.033 -1.170 1.00 0.00 O ATOM 966 OE2 GLU A 61 9.167 -9.101 -0.743 1.00 0.00 O ATOM 0 H GLU A 61 6.105 -4.854 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 61 5.859 -5.176 -3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.827 -6.509 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.942 -5.374 -1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.209 -7.090 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.886 -8.223 -1.348 1.00 0.00 H new ATOM 973 N GLU A 62 4.690 -7.804 -1.485 1.00 0.00 N ATOM 974 CA GLU A 62 3.885 -9.003 -1.642 1.00 0.00 C ATOM 975 C GLU A 62 2.524 -8.653 -2.248 1.00 0.00 C ATOM 976 O GLU A 62 2.096 -9.272 -3.221 1.00 0.00 O ATOM 977 CB GLU A 62 3.719 -9.731 -0.307 1.00 0.00 C ATOM 978 CG GLU A 62 2.518 -10.678 -0.344 1.00 0.00 C ATOM 979 CD GLU A 62 2.802 -11.955 0.450 1.00 0.00 C ATOM 980 OE1 GLU A 62 2.545 -11.932 1.673 1.00 0.00 O ATOM 981 OE2 GLU A 62 3.269 -12.925 -0.185 1.00 0.00 O ATOM 0 H GLU A 62 4.921 -7.568 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 62 4.403 -9.677 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.624 -10.295 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.588 -9.004 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.642 -10.177 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.283 -10.933 -1.377 1.00 0.00 H new ATOM 988 N GLN A 63 1.883 -7.661 -1.648 1.00 0.00 N ATOM 989 CA GLN A 63 0.579 -7.220 -2.117 1.00 0.00 C ATOM 990 C GLN A 63 0.609 -6.991 -3.629 1.00 0.00 C ATOM 991 O GLN A 63 -0.313 -7.389 -4.340 1.00 0.00 O ATOM 992 CB GLN A 63 0.129 -5.958 -1.379 1.00 0.00 C ATOM 993 CG GLN A 63 -1.148 -6.217 -0.578 1.00 0.00 C ATOM 994 CD GLN A 63 -2.354 -6.380 -1.505 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.462 -7.329 -2.265 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.252 -5.405 -1.401 1.00 0.00 N ATOM 0 H GLN A 63 2.242 -7.150 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.147 -8.004 -1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.921 -5.622 -0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.044 -5.155 -2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.026 -7.115 0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.323 -5.390 0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.100 -4.639 -0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.093 -5.423 -1.978 1.00 0.00 H new ATOM 1005 N GLN A 64 1.678 -6.348 -4.077 1.00 0.00 N ATOM 1006 CA GLN A 64 1.840 -6.061 -5.492 1.00 0.00 C ATOM 1007 C GLN A 64 2.154 -7.345 -6.263 1.00 0.00 C ATOM 1008 O GLN A 64 1.981 -7.401 -7.479 1.00 0.00 O ATOM 1009 CB GLN A 64 2.926 -5.007 -5.717 1.00 0.00 C ATOM 1010 CG GLN A 64 2.616 -3.725 -4.941 1.00 0.00 C ATOM 1011 CD GLN A 64 3.783 -2.740 -5.020 1.00 0.00 C ATOM 1012 OE1 GLN A 64 3.868 -1.908 -5.909 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.676 -2.880 -4.045 1.00 0.00 N ATOM 0 H GLN A 64 2.440 -6.018 -3.485 1.00 0.00 H new ATOM 0 HA GLN A 64 0.902 -5.655 -5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.892 -5.402 -5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.005 -4.782 -6.781 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.716 -3.261 -5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.410 -3.968 -3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.544 -3.597 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.493 -2.270 -4.010 1.00 0.00 H new ATOM 1022 N ARG A 65 2.610 -8.344 -5.522 1.00 0.00 N ATOM 1023 CA ARG A 65 2.950 -9.624 -6.121 1.00 0.00 C ATOM 1024 C ARG A 65 1.696 -10.488 -6.275 1.00 0.00 C ATOM 1025 O ARG A 65 1.570 -11.237 -7.242 1.00 0.00 O ATOM 1026 CB ARG A 65 3.976 -10.375 -5.269 1.00 0.00 C ATOM 1027 CG ARG A 65 3.785 -11.888 -5.387 1.00 0.00 C ATOM 1028 CD ARG A 65 5.074 -12.633 -5.035 1.00 0.00 C ATOM 1029 NE ARG A 65 4.859 -14.094 -5.140 1.00 0.00 N ATOM 1030 CZ ARG A 65 5.788 -15.013 -4.843 1.00 0.00 C ATOM 1031 NH1 ARG A 65 7.000 -14.628 -4.421 1.00 0.00 N ATOM 1032 NH2 ARG A 65 5.504 -16.317 -4.967 1.00 0.00 N ATOM 0 H ARG A 65 2.752 -8.293 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 65 3.383 -9.427 -7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.984 -10.106 -5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.879 -10.073 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.982 -12.210 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.480 -12.141 -6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.876 -12.326 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.388 -12.375 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 65 3.947 -14.422 -5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.215 -13.636 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.707 -15.327 -4.195 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.581 -16.610 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.211 -17.017 -4.741 1.00 0.00 H new ATOM 1046 N GLN A 66 0.801 -10.353 -5.307 1.00 0.00 N ATOM 1047 CA GLN A 66 -0.438 -11.112 -5.323 1.00 0.00 C ATOM 1048 C GLN A 66 -1.486 -10.398 -6.180 1.00 0.00 C ATOM 1049 O GLN A 66 -2.199 -11.036 -6.954 1.00 0.00 O ATOM 1050 CB GLN A 66 -0.957 -11.344 -3.903 1.00 0.00 C ATOM 1051 CG GLN A 66 0.171 -11.799 -2.975 1.00 0.00 C ATOM 1052 CD GLN A 66 -0.390 -12.460 -1.714 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -0.551 -13.667 -1.633 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -0.678 -11.605 -0.737 1.00 0.00 N ATOM 0 H GLN A 66 0.909 -9.730 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.238 -12.088 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.400 -10.425 -3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.746 -12.096 -3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.818 -12.501 -3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.787 -10.943 -2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.519 -10.606 -0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.058 -11.948 0.145 1.00 0.00 H new ATOM 1063 N TYR A 67 -1.545 -9.085 -6.014 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.494 -8.279 -6.763 1.00 0.00 C ATOM 1065 C TYR A 67 -2.410 -8.582 -8.260 1.00 0.00 C ATOM 1066 O TYR A 67 -3.351 -8.312 -9.006 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.089 -6.822 -6.526 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.769 -5.826 -7.467 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.435 -5.802 -8.805 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.717 -4.951 -6.977 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -3.075 -4.864 -9.691 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.358 -4.014 -7.862 1.00 0.00 C ATOM 1073 CZ TYR A 67 -4.005 -4.016 -9.176 1.00 0.00 C ATOM 1074 OH TYR A 67 -4.610 -3.131 -10.012 1.00 0.00 O ATOM 0 H TYR A 67 -0.951 -8.559 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.514 -8.488 -6.440 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.325 -6.553 -5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.009 -6.733 -6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.693 -6.487 -9.189 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.978 -4.969 -5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.822 -4.835 -10.741 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.102 -3.325 -7.491 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.252 -2.590 -9.507 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.274 -9.138 -8.656 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.055 -9.480 -10.051 1.00 0.00 C ATOM 1086 C LYS A 68 -1.882 -10.718 -10.403 1.00 0.00 C ATOM 1087 O LYS A 68 -2.725 -10.672 -11.298 1.00 0.00 O ATOM 1088 CB LYS A 68 0.440 -9.638 -10.335 1.00 0.00 C ATOM 1089 CG LYS A 68 1.137 -8.276 -10.373 1.00 0.00 C ATOM 1090 CD LYS A 68 1.817 -8.046 -11.724 1.00 0.00 C ATOM 1091 CE LYS A 68 2.316 -6.604 -11.848 1.00 0.00 C ATOM 1092 NZ LYS A 68 3.786 -6.549 -11.687 1.00 0.00 N ATOM 0 H LYS A 68 -0.496 -9.360 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.396 -8.673 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.896 -10.263 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.581 -10.150 -11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.409 -7.486 -10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.877 -8.220 -9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.654 -8.735 -11.836 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.116 -8.263 -12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.035 -6.198 -12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.838 -5.981 -11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.108 -5.564 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.047 -6.917 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.238 -7.127 -12.424 1.00 0.00 H new ATOM 1106 N VAL A 69 -1.611 -11.797 -9.683 1.00 0.00 N ATOM 1107 CA VAL A 69 -2.319 -13.045 -9.908 1.00 0.00 C ATOM 1108 C VAL A 69 -3.820 -12.815 -9.724 1.00 0.00 C ATOM 1109 O VAL A 69 -4.631 -13.344 -10.483 1.00 0.00 O ATOM 1110 CB VAL A 69 -1.764 -14.135 -8.989 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -0.241 -14.036 -8.878 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -2.420 -14.074 -7.608 1.00 0.00 C ATOM 0 H VAL A 69 -0.910 -11.832 -8.943 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.166 -13.392 -10.930 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.005 -15.101 -9.432 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.128 -14.822 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.204 -14.152 -9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.032 -13.063 -8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.008 -14.859 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.224 -13.102 -7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.496 -14.217 -7.710 1.00 0.00 H new ATOM 1122 N HIS A 70 -4.146 -12.025 -8.711 1.00 0.00 N ATOM 1123 CA HIS A 70 -5.535 -11.719 -8.418 1.00 0.00 C ATOM 1124 C HIS A 70 -6.286 -11.440 -9.722 1.00 0.00 C ATOM 1125 O HIS A 70 -7.351 -12.007 -9.962 1.00 0.00 O ATOM 1126 CB HIS A 70 -5.638 -10.566 -7.417 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.033 -10.869 -6.067 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -4.225 -11.890 -5.662 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -5.243 -10.072 -4.955 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -3.954 -11.725 -4.373 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -4.585 -10.598 -3.933 1.00 0.00 N flip ATOM 0 H HIS A 70 -3.471 -11.588 -8.083 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.008 -12.579 -7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.145 -9.689 -7.836 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.688 -10.307 -7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.842 -9.174 -4.926 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.336 -12.375 -3.772 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.555 -10.226 -2.984 1.00 0.00 H new ATOM 1139 N LEU A 71 -5.701 -10.568 -10.529 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.301 -10.208 -11.803 1.00 0.00 C ATOM 1141 C LEU A 71 -6.615 -11.480 -12.592 1.00 0.00 C ATOM 1142 O LEU A 71 -7.722 -11.642 -13.101 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.407 -9.221 -12.556 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.190 -7.864 -11.884 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -4.040 -7.102 -12.546 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -6.484 -7.047 -11.869 1.00 0.00 C ATOM 0 H LEU A 71 -4.818 -10.100 -10.326 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.247 -9.689 -11.646 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.434 -9.688 -12.710 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.838 -9.051 -13.542 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.906 -8.038 -10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.907 -6.141 -12.049 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.122 -7.684 -12.462 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.271 -6.938 -13.599 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.303 -6.087 -11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.821 -6.880 -12.892 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.251 -7.591 -11.318 1.00 0.00 H new ATOM 1158 N ASP A 72 -5.619 -12.351 -12.669 1.00 0.00 N ATOM 1159 CA ASP A 72 -5.775 -13.604 -13.388 1.00 0.00 C ATOM 1160 C ASP A 72 -6.969 -14.371 -12.815 1.00 0.00 C ATOM 1161 O ASP A 72 -7.790 -14.897 -13.564 1.00 0.00 O ATOM 1162 CB ASP A 72 -4.532 -14.484 -13.237 1.00 0.00 C ATOM 1163 CG ASP A 72 -3.696 -14.645 -14.509 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -3.853 -13.786 -15.404 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -2.919 -15.622 -14.557 1.00 0.00 O ATOM 0 H ASP A 72 -4.701 -12.214 -12.245 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.927 -13.371 -14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.900 -14.063 -12.455 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.843 -15.472 -12.897 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.027 -14.409 -11.492 1.00 0.00 N ATOM 1171 CA LEU A 73 -8.106 -15.102 -10.810 1.00 0.00 C ATOM 1172 C LEU A 73 -9.428 -14.386 -11.096 1.00 0.00 C ATOM 1173 O LEU A 73 -10.447 -15.030 -11.339 1.00 0.00 O ATOM 1174 CB LEU A 73 -7.794 -15.245 -9.319 1.00 0.00 C ATOM 1175 CG LEU A 73 -6.333 -15.526 -8.964 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -6.192 -15.916 -7.491 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -5.735 -16.581 -9.896 1.00 0.00 C ATOM 0 H LEU A 73 -6.344 -13.971 -10.874 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.205 -16.119 -11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.100 -14.329 -8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.407 -16.051 -8.915 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.764 -14.608 -9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.144 -16.110 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.554 -15.102 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.778 -16.814 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.696 -16.762 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.301 -17.508 -9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.782 -16.226 -10.925 1.00 0.00 H new ATOM 1189 N TRP A 74 -9.367 -13.063 -11.056 1.00 0.00 N ATOM 1190 CA TRP A 74 -10.546 -12.252 -11.307 1.00 0.00 C ATOM 1191 C TRP A 74 -10.992 -12.500 -12.750 1.00 0.00 C ATOM 1192 O TRP A 74 -12.181 -12.430 -13.057 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.270 -10.776 -11.013 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.187 -9.809 -11.764 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.405 -9.380 -11.405 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -10.909 -9.164 -13.025 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -12.930 -8.509 -12.338 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -11.991 -8.374 -13.354 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -9.780 -9.246 -13.859 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.051 -7.605 -14.523 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -9.855 -8.471 -15.023 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -10.938 -7.671 -15.369 1.00 0.00 C ATOM 0 H TRP A 74 -8.520 -12.533 -10.854 1.00 0.00 H new ATOM 0 HA TRP A 74 -11.358 -12.535 -10.637 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.377 -10.604 -9.942 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.235 -10.552 -11.270 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -12.912 -9.678 -10.499 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -13.839 -8.049 -12.291 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.923 -9.858 -13.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -12.910 -6.994 -14.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.013 -8.497 -15.699 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -10.921 -7.103 -16.287 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.014 -12.786 -13.597 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.290 -13.045 -15.000 1.00 0.00 C ATOM 1215 C VAL A 75 -11.032 -14.377 -15.131 1.00 0.00 C ATOM 1216 O VAL A 75 -12.077 -14.448 -15.776 1.00 0.00 O ATOM 1217 CB VAL A 75 -8.991 -13.002 -15.806 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.205 -13.545 -17.220 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.415 -11.585 -15.843 1.00 0.00 C ATOM 0 H VAL A 75 -9.029 -12.844 -13.339 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.937 -12.270 -15.412 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.266 -13.645 -15.307 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.266 -13.503 -17.772 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.548 -14.578 -17.165 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.954 -12.941 -17.732 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.492 -11.583 -16.422 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.136 -10.911 -16.306 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.207 -11.250 -14.827 1.00 0.00 H new ATOM 1229 N LYS A 76 -10.462 -15.399 -14.510 1.00 0.00 N ATOM 1230 CA LYS A 76 -11.056 -16.724 -14.549 1.00 0.00 C ATOM 1231 C LYS A 76 -12.539 -16.625 -14.185 1.00 0.00 C ATOM 1232 O LYS A 76 -13.332 -17.490 -14.553 1.00 0.00 O ATOM 1233 CB LYS A 76 -10.268 -17.691 -13.663 1.00 0.00 C ATOM 1234 CG LYS A 76 -9.011 -18.189 -14.379 1.00 0.00 C ATOM 1235 CD LYS A 76 -7.853 -18.365 -13.394 1.00 0.00 C ATOM 1236 CE LYS A 76 -6.621 -17.581 -13.850 1.00 0.00 C ATOM 1237 NZ LYS A 76 -5.678 -18.469 -14.567 1.00 0.00 N ATOM 0 H LYS A 76 -9.595 -15.336 -13.977 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.002 -17.136 -15.557 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.989 -17.194 -12.734 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.898 -18.539 -13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.221 -19.138 -14.872 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.727 -17.481 -15.157 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.158 -18.026 -12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.603 -19.422 -13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.925 -16.761 -14.501 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.126 -17.136 -12.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.847 -17.921 -14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.375 -19.237 -13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.149 -18.874 -15.401 1.00 0.00 H new ATOM 1251 N SER A 77 -12.868 -15.563 -13.465 1.00 0.00 N ATOM 1252 CA SER A 77 -14.242 -15.339 -13.046 1.00 0.00 C ATOM 1253 C SER A 77 -14.996 -14.555 -14.122 1.00 0.00 C ATOM 1254 O SER A 77 -16.197 -14.744 -14.306 1.00 0.00 O ATOM 1255 CB SER A 77 -14.296 -14.595 -11.710 1.00 0.00 C ATOM 1256 OG SER A 77 -15.634 -14.311 -11.312 1.00 0.00 O ATOM 0 H SER A 77 -12.207 -14.848 -13.161 1.00 0.00 H new ATOM 0 HA SER A 77 -14.721 -16.309 -12.910 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.808 -15.194 -10.941 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.736 -13.663 -11.791 1.00 0.00 H new ATOM 0 HG SER A 77 -15.627 -13.837 -10.454 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.259 -13.690 -14.804 1.00 0.00 N ATOM 1263 CA LEU A 78 -14.843 -12.876 -15.856 1.00 0.00 C ATOM 1264 C LEU A 78 -15.634 -13.774 -16.810 1.00 0.00 C ATOM 1265 O LEU A 78 -15.094 -14.736 -17.354 1.00 0.00 O ATOM 1266 CB LEU A 78 -13.764 -12.042 -16.550 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.262 -10.820 -15.778 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.406 -9.920 -16.672 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.425 -10.057 -15.142 1.00 0.00 C ATOM 0 H LEU A 78 -13.263 -13.535 -14.648 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.547 -12.158 -15.435 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.912 -12.689 -16.761 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.154 -11.705 -17.510 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.623 -11.168 -14.966 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.062 -9.059 -16.099 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.545 -10.481 -17.036 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.000 -9.578 -17.519 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.040 -9.193 -14.600 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.109 -9.721 -15.921 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.956 -10.712 -14.451 1.00 0.00 H new ATOM 1281 N SER A 79 -16.901 -13.428 -16.984 1.00 0.00 N ATOM 1282 CA SER A 79 -17.771 -14.190 -17.863 1.00 0.00 C ATOM 1283 C SER A 79 -17.094 -14.398 -19.219 1.00 0.00 C ATOM 1284 O SER A 79 -15.976 -13.934 -19.436 1.00 0.00 O ATOM 1285 CB SER A 79 -19.120 -13.491 -18.045 1.00 0.00 C ATOM 1286 OG SER A 79 -20.212 -14.341 -17.705 1.00 0.00 O ATOM 0 H SER A 79 -17.346 -12.630 -16.531 1.00 0.00 H new ATOM 0 HA SER A 79 -17.955 -15.161 -17.403 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.151 -12.595 -17.424 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.223 -13.165 -19.080 1.00 0.00 H new ATOM 0 HG SER A 79 -21.055 -13.858 -17.833 1.00 0.00 H new ATOM 1292 N PRO A 80 -17.819 -15.114 -20.120 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.300 -15.389 -21.449 1.00 0.00 C ATOM 1294 C PRO A 80 -17.368 -14.142 -22.333 1.00 0.00 C ATOM 1295 O PRO A 80 -16.727 -14.083 -23.380 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.148 -16.536 -21.973 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.403 -16.552 -21.115 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.146 -15.679 -19.898 1.00 0.00 C ATOM 0 HA PRO A 80 -16.245 -15.663 -21.440 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.396 -16.390 -23.024 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.613 -17.483 -21.900 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.257 -16.178 -21.680 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -19.644 -17.570 -20.810 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -19.899 -14.896 -19.806 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.179 -16.263 -18.978 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.152 -13.175 -21.878 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.313 -11.933 -22.614 1.00 0.00 C ATOM 1308 C GLN A 81 -17.330 -10.879 -22.099 1.00 0.00 C ATOM 1309 O GLN A 81 -16.593 -10.278 -22.879 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.754 -11.427 -22.528 1.00 0.00 C ATOM 1311 CG GLN A 81 -19.865 -9.994 -23.052 1.00 0.00 C ATOM 1312 CD GLN A 81 -21.306 -9.663 -23.443 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.250 -10.337 -23.065 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -21.423 -8.590 -24.220 1.00 0.00 N ATOM 0 H GLN A 81 -18.683 -13.227 -21.008 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.092 -12.125 -23.664 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.408 -12.081 -23.106 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -20.096 -11.467 -21.494 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.522 -9.296 -22.288 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -19.212 -9.867 -23.915 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -20.591 -8.070 -24.500 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.344 -8.287 -24.536 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.351 -10.688 -20.788 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.472 -9.717 -20.159 1.00 0.00 C ATOM 1325 C ASP A 82 -15.023 -10.026 -20.542 1.00 0.00 C ATOM 1326 O ASP A 82 -14.307 -9.154 -21.032 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.582 -9.780 -18.634 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.837 -9.129 -18.049 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -17.762 -7.917 -17.755 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -18.842 -9.859 -17.910 1.00 0.00 O ATOM 0 H ASP A 82 -17.963 -11.189 -20.144 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.766 -8.724 -20.500 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.556 -10.825 -18.326 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.705 -9.298 -18.201 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.633 -11.269 -20.302 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.283 -11.704 -20.615 1.00 0.00 C ATOM 1337 C ARG A 83 -12.987 -11.490 -22.101 1.00 0.00 C ATOM 1338 O ARG A 83 -11.915 -11.009 -22.462 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.085 -13.181 -20.270 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.680 -13.433 -19.720 1.00 0.00 C ATOM 1341 CD ARG A 83 -11.643 -14.707 -18.873 1.00 0.00 C ATOM 1342 NE ARG A 83 -10.685 -15.674 -19.454 1.00 0.00 N ATOM 1343 CZ ARG A 83 -10.943 -16.436 -20.525 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -12.132 -16.349 -21.138 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -10.014 -17.286 -20.983 1.00 0.00 N ATOM 0 H ARG A 83 -15.229 -11.989 -19.894 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.596 -11.108 -20.015 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.828 -13.489 -19.534 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.246 -13.790 -21.159 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.973 -13.520 -20.545 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.364 -12.582 -19.117 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.353 -14.465 -17.850 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.637 -15.151 -18.826 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.771 -15.766 -19.011 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.840 -15.703 -20.789 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.329 -16.929 -21.954 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.110 -17.353 -20.516 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.211 -17.866 -21.799 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.958 -11.860 -22.924 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.816 -11.715 -24.362 1.00 0.00 C ATOM 1361 C ALA A 84 -13.340 -10.296 -24.683 1.00 0.00 C ATOM 1362 O ALA A 84 -12.475 -10.106 -25.537 1.00 0.00 O ATOM 1363 CB ALA A 84 -15.144 -12.051 -25.043 1.00 0.00 C ATOM 0 H ALA A 84 -14.846 -12.260 -22.621 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.068 -12.409 -24.745 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -15.037 -11.942 -26.122 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.424 -13.078 -24.808 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.918 -11.373 -24.685 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.925 -9.337 -23.981 1.00 0.00 N ATOM 1370 CA ALA A 85 -13.571 -7.942 -24.180 1.00 0.00 C ATOM 1371 C ALA A 85 -12.209 -7.669 -23.539 1.00 0.00 C ATOM 1372 O ALA A 85 -11.291 -7.191 -24.204 1.00 0.00 O ATOM 1373 CB ALA A 85 -14.674 -7.049 -23.608 1.00 0.00 C ATOM 0 H ALA A 85 -14.642 -9.498 -23.274 1.00 0.00 H new ATOM 0 HA ALA A 85 -13.486 -7.716 -25.243 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.409 -6.002 -23.757 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.614 -7.261 -24.117 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.786 -7.247 -22.542 1.00 0.00 H new ATOM 1379 N TYR A 86 -12.121 -7.985 -22.256 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.886 -7.780 -21.517 1.00 0.00 C ATOM 1381 C TYR A 86 -9.692 -8.370 -22.271 1.00 0.00 C ATOM 1382 O TYR A 86 -8.765 -7.648 -22.634 1.00 0.00 O ATOM 1383 CB TYR A 86 -11.057 -8.527 -20.193 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.783 -8.599 -19.350 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -9.437 -7.544 -18.530 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.978 -9.719 -19.409 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -8.238 -7.612 -17.736 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.779 -9.787 -18.616 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.468 -8.730 -17.818 1.00 0.00 C ATOM 1390 OH TYR A 86 -6.335 -8.794 -17.069 1.00 0.00 O ATOM 0 H TYR A 86 -12.885 -8.382 -21.708 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.696 -6.716 -21.375 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.839 -8.039 -19.611 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.400 -9.540 -20.401 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.066 -6.667 -18.484 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.248 -10.545 -20.051 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.956 -6.794 -17.090 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.141 -10.657 -18.654 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.886 -9.650 -17.228 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.754 -9.676 -22.485 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.690 -10.370 -23.189 1.00 0.00 C ATOM 1402 C LYS A 87 -8.470 -9.710 -24.551 1.00 0.00 C ATOM 1403 O LYS A 87 -7.331 -9.474 -24.954 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.992 -11.868 -23.273 1.00 0.00 C ATOM 1405 CG LYS A 87 -8.022 -12.673 -22.406 1.00 0.00 C ATOM 1406 CD LYS A 87 -7.171 -13.613 -23.262 1.00 0.00 C ATOM 1407 CE LYS A 87 -5.729 -13.664 -22.753 1.00 0.00 C ATOM 1408 NZ LYS A 87 -5.441 -14.983 -22.145 1.00 0.00 N ATOM 0 H LYS A 87 -10.525 -10.272 -22.183 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.752 -10.287 -22.639 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.016 -12.055 -22.949 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.920 -12.199 -24.309 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.374 -11.994 -21.852 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.581 -13.251 -21.670 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.601 -14.614 -23.247 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.183 -13.277 -24.299 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.039 -13.478 -23.576 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.568 -12.875 -22.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.458 -15.001 -21.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.087 -15.146 -21.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.575 -15.730 -22.856 1.00 0.00 H new ATOM 1422 N GLU A 88 -9.576 -9.429 -25.223 1.00 0.00 N ATOM 1423 CA GLU A 88 -9.518 -8.800 -26.531 1.00 0.00 C ATOM 1424 C GLU A 88 -8.559 -7.608 -26.505 1.00 0.00 C ATOM 1425 O GLU A 88 -7.914 -7.304 -27.508 1.00 0.00 O ATOM 1426 CB GLU A 88 -10.912 -8.372 -26.997 1.00 0.00 C ATOM 1427 CG GLU A 88 -10.840 -7.105 -27.851 1.00 0.00 C ATOM 1428 CD GLU A 88 -12.014 -7.036 -28.830 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -12.169 -8.009 -29.599 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -12.729 -6.012 -28.786 1.00 0.00 O ATOM 0 H GLU A 88 -10.518 -9.626 -24.886 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.140 -9.530 -27.247 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.370 -9.177 -27.572 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.550 -8.195 -26.131 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.848 -6.226 -27.206 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.900 -7.087 -28.403 1.00 0.00 H new ATOM 1437 N TYR A 89 -8.496 -6.966 -25.349 1.00 0.00 N ATOM 1438 CA TYR A 89 -7.626 -5.814 -25.179 1.00 0.00 C ATOM 1439 C TYR A 89 -6.238 -6.241 -24.698 1.00 0.00 C ATOM 1440 O TYR A 89 -5.230 -5.674 -25.117 1.00 0.00 O ATOM 1441 CB TYR A 89 -8.281 -4.946 -24.102 1.00 0.00 C ATOM 1442 CG TYR A 89 -7.285 -4.160 -23.246 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -6.509 -3.175 -23.821 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -7.164 -4.437 -21.900 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -5.572 -2.435 -23.016 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -6.228 -3.697 -21.094 1.00 0.00 C ATOM 1447 CZ TYR A 89 -5.478 -2.732 -21.692 1.00 0.00 C ATOM 1448 OH TYR A 89 -4.593 -2.034 -20.931 1.00 0.00 O ATOM 0 H TYR A 89 -9.033 -7.221 -24.520 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.501 -5.285 -26.124 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.965 -4.245 -24.581 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.880 -5.583 -23.451 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.604 -2.959 -24.875 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.771 -5.209 -21.451 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.958 -1.662 -23.454 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.124 -3.903 -20.039 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.635 -2.353 -20.005 1.00 0.00 H new ATOM 1458 N ILE A 90 -6.230 -7.238 -23.825 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.982 -7.748 -23.283 1.00 0.00 C ATOM 1460 C ILE A 90 -4.081 -8.205 -24.432 1.00 0.00 C ATOM 1461 O ILE A 90 -2.974 -7.695 -24.598 1.00 0.00 O ATOM 1462 CB ILE A 90 -5.254 -8.838 -22.245 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -6.193 -8.329 -21.149 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.947 -9.387 -21.670 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -5.402 -7.746 -19.977 1.00 0.00 C ATOM 0 H ILE A 90 -7.068 -7.706 -23.480 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.448 -6.960 -22.752 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.759 -9.666 -22.743 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.857 -7.568 -21.559 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.823 -9.146 -20.797 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.169 -10.160 -20.935 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.346 -9.813 -22.474 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.393 -8.580 -21.191 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.093 -7.392 -19.212 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.757 -8.516 -19.554 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.792 -6.914 -20.328 1.00 0.00 H new